Peak 2 from nnoeabs.peaks (4.38, 8.24, 125.71 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + H ALA 12 OK 100 100 100 100 2.1-3.5 3.6=100 HA ASP 47 - H ALA 12 far 0 97 0 - 6.5-43.1 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 3 assignments used, quality = 0.67: * HA ALA 12 + H LYS 13 OK 67 100 100 67 2.1-3.0 3704=67 HA THR 15 - H LYS 13 far 0 96 0 - 6.5-8.3 HA LYS 39 - H LYS 13 far 0 99 0 - 8.9-32.9 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 3 assignments used, quality = 1.00: * QB ALA 12 + H LYS 13 OK 100 100 100 100 2.2-3.7 3.6=100 QB ALA 16 - H LYS 13 far 0 65 0 - 7.5-10.4 HG3 LYS 32 - H LYS 13 far 0 100 0 - 8.1-28.7 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 2.2-2.6 3.6=70, 3.8/5906=9, 3.8/5906=9 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 1 assignment used, quality = 1.00: * HB2 PRO 14 + H THR 15 OK 100 100 100 100 2.1-4.3 4.0=100 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 3 assignments used, quality = 1.00: * HB3 PRO 14 + H THR 15 OK 100 100 100 100 3.2-4.6 4.0=100 HB3 PRO 34 - H THR 15 far 0 95 0 - 7.4-25.2 HB2 MET 11 - H THR 15 far 0 100 0 - 9.4-14.3 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 5 assignments used, quality = 1.00: * HA THR 15 + H ALA 16 OK 100 100 100 100 2.1-3.6 3.6=100 HA GLU 19 - H ALA 16 far 0 97 0 - 7.1-12.6 HA ALA 77 - H ALA 16 far 0 95 0 - 7.8-43.2 HA LYS 39 - H ALA 16 far 0 100 0 - 7.8-23.8 HA ALA 20 - H ALA 16 far 0 92 0 - 9.3-15.6 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 5 99 5 - 4.5-21.6 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 3 assignments used, quality = 1.00: * QG2 THR 15 + H ALA 16 OK 100 100 100 100 1.9-4.1 4.2=100 HG13 ILE 33 - H ALA 16 far 0 63 0 - 9.5-22.6 QG2 THR 37 - H ALA 16 far 0 83 0 - 9.6-18.3 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 = 0.89: * HA ALA 16 + H ARG 17 OK 89 100 100 89 2.1-3.4 3.6=86, ~5486=12, ~987=5...(6) HA PRO 34 - H ARG 17 far 0 99 0 - 5.6-24.6 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 5 assignments used, quality = 1.00: * QB ALA 16 + H ARG 17 OK 100 100 100 100 2.1-3.7 3.6=100 QB ALA 20 - H ARG 17 far 4 87 5 - 5.1-11.4 QB ALA 78 - H ARG 17 far 3 63 5 - 4.7-35.7 QB ALA 28 - H ARG 17 far 0 81 0 - 5.8-15.5 QB ALA 77 - H ARG 17 far 0 90 0 - 6.6-32.8 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 2.2-3.5 3.6=98, 4800/3.0=6...(6) HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.6 3.6=98, 4800/3.0=7...(6) HA2 GLY 21 - H GLU 19 far 0 73 0 - 6.4-9.2 HA THR 37 - H GLU 19 far 0 99 0 - 6.5-15.8 HA3 GLY 21 - H GLU 19 far 0 76 0 - 6.7-9.2 HA ALA 28 - H GLU 19 far 0 57 0 - 7.1-16.0 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 2.2-3.5 3.6=98, 4800/3.0=6...(6) * HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.6 3.6=98, 4800/3.0=7...(6) HA2 GLY 21 - H GLU 19 far 0 76 0 - 6.4-9.2 HA THR 37 - H GLU 19 far 0 99 0 - 6.5-15.8 HA3 GLY 21 - H GLU 19 far 0 78 0 - 6.7-9.2 HA ALA 28 - H GLU 19 far 0 60 0 - 7.1-16.0 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 8 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 92 100 100 92 2.1-3.6 3.6=80, 3.0/29=33...(7) HA ASP 38 - H ALA 20 far 4 78 5 - 4.2-16.5 HA ARG 17 - H ALA 20 far 0 81 0 - 4.7-10.1 HA ALA 77 - H ALA 20 far 0 73 0 - 4.9-32.0 HA LYS 39 - H ALA 20 far 0 99 0 - 8.4-20.1 HA LYS 75 - H ALA 20 far 0 95 0 - 8.9-29.4 HA THR 15 - H ALA 20 far 0 97 0 - 9.2-17.0 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 4 assignments used, quality = 1.00: * HB2 GLU 19 + H ALA 20 OK 100 100 100 100 2.0-4.5 4.6=100 HB VAL 41 - H ALA 20 far 0 83 0 - 6.7-19.6 HB3 ARG 26 - H ALA 20 far 0 60 0 - 6.7-15.1 HG12 ILE 40 - H ALA 20 far 0 100 0 - 9.2-17.8 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 4 assignments used, quality = 0.99: * HB3 GLU 19 + H ALA 20 OK 99 100 100 99 2.0-4.2 4.6=92, 3.0/27=40...(12) HB3 GLU 25 - H ALA 20 far 14 90 15 - 5.0-9.6 HB2 GLU 25 - H ALA 20 far 9 92 10 - 5.2-9.5 HB VAL 76 - H ALA 20 far 0 99 0 - 8.4-30.5 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 = 1.00: HG3 GLU 19 + H ALA 20 OK 98 100 100 98 2.3-5.5 3.0/29=75, 1211/3.6=40...(12) * HG2 GLU 19 + H ALA 20 OK 98 100 100 98 2.1-4.9 3.0/29=75, 1211/3.6=40...(11) HG2 GLU 25 - H ALA 20 far 9 63 15 - 4.8-9.1 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 = 1.00: * HG3 GLU 19 + H ALA 20 OK 98 100 100 98 2.3-5.5 3.0/29=75, 1211/3.6=40...(12) HG2 GLU 19 + H ALA 20 OK 98 100 100 98 2.1-4.9 3.0/29=75, 1211/3.6=40...(11) HG2 GLU 25 - H ALA 20 far 9 63 15 - 4.8-9.1 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 7 assignments used, quality = 1.00: * HA ALA 20 + H GLY 21 OK 100 100 100 100 2.2-3.6 3.6=100 HA GLU 19 - H GLY 21 far 15 100 15 - 4.4-7.0 HA ASP 38 - H GLY 21 far 4 87 5 - 4.3-16.0 HA LYS 75 - H GLY 21 far 0 89 0 - 7.8-26.4 HA ALA 77 - H GLY 21 far 0 63 0 - 8.0-30.4 HA LYS 39 - H GLY 21 far 0 97 0 - 8.7-20.2 HA ARG 17 - H GLY 21 far 0 89 0 - 9.1-13.4 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 6 assignments used, quality = 1.00: * QB ALA 20 + H GLY 21 OK 100 100 100 100 2.0-3.0 3.6=100 QB ALA 77 - H GLY 21 far 5 100 5 - 5.2-24.7 HG3 LYS 75 - H GLY 21 far 5 96 5 - 4.8-27.7 QB ALA 16 - H GLY 21 far 0 87 0 - 6.5-14.1 HG2 LYS 75 - H GLY 21 far 0 96 0 - 6.5-28.0 QB ALA 78 - H GLY 21 far 0 97 0 - 8.8-27.8 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 7 assignments used, quality = 1.00: * HA2 GLY 21 + H SER 22 OK 100 100 100 100 2.1-3.5 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 - 7.0-13.5 HA THR 37 - H SER 22 far 0 90 0 - 7.1-12.4 HA2 GLY 72 - H SER 22 far 0 97 0 - 7.3-14.1 HA2 GLY 18 - H SER 22 far 0 73 0 - 8.1-12.8 HA ALA 28 - H SER 22 far 0 99 0 - 9.7-12.4 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 7 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 2.1-3.5 3.5=100 HA3 GLY 18 - H SER 22 far 0 78 0 - 7.0-13.5 HA THR 37 - H SER 22 far 0 92 0 - 7.1-12.4 HA2 GLY 72 - H SER 22 far 0 96 0 - 7.3-14.1 HA2 GLY 18 - H SER 22 far 0 76 0 - 8.1-12.8 HA ALA 28 - H SER 22 far 0 99 0 - 9.7-12.4 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 2.4-3.5 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 2.1-3.7 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 - 6.9-8.3 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 92 100 100 92 2.3-4.0 4.2=70, 1286/4.9=19...(14) HB3 ARG 23 + H ASP 24 OK 92 100 100 92 2.2-4.2 4.2=70, 1287/4.9=19...(13) HB2 ARG 27 - H ASP 24 far 10 99 10 - 4.5-6.8 HB2 ARG 71 - H ASP 24 far 5 99 5 - 4.2-9.8 HB3 ARG 71 - H ASP 24 far 5 99 5 - 3.3-9.7 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.8-8.2 HB2 LYS 75 - H ASP 24 far 0 100 0 - 8.5-21.1 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 92 100 100 92 2.3-4.0 4.2=70, 1286/4.9=19...(14) * HB3 ARG 23 + H ASP 24 OK 92 100 100 92 2.2-4.2 4.2=70, 1287/4.9=19...(13) HB2 ARG 27 - H ASP 24 far 10 100 10 - 4.5-6.8 HB2 ARG 71 - H ASP 24 far 5 100 5 - 4.2-9.8 HB3 ARG 71 - H ASP 24 far 5 99 5 - 3.3-9.7 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.8-8.2 HB2 LYS 75 - H ASP 24 far 0 100 0 - 8.5-21.1 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 = 0.99: * H ASP 24 + H GLU 25 OK 99 100 100 99 2.4-2.9 4.6=84, 518/53=65...(8) H GLU 19 - H GLU 25 far 0 93 0 - 6.9-12.0 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 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 52 from nnoeabs.peaks (2.56, 8.20, 121.35 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.85: * HB2 ASP 24 + H GLU 25 OK 85 100 100 85 2.9-3.9 4.5=62, 517/50=44...(7) Violated in 5 structures by 0.00 A. Peak 53 from nnoeabs.peaks (2.59, 8.20, 121.35 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.83: * HB3 ASP 24 + H GLU 25 OK 83 100 100 83 2.4-3.9 4.5=61, 518/50=44...(7) Violated in 4 structures by 0.00 A. Peak 54 from nnoeabs.peaks (8.20, 8.13, 119.29 ppm; 3.37 A): 3 out of 6 assignments used, quality = 0.99: * H GLU 25 + H ARG 26 OK 95 100 100 95 2.5-3.0 904=67, 2.9/55=30...(10) H ARG 27 + H ARG 26 OK 71 76 100 94 2.5-2.8 5380=76, 65/1390=20...(13) H ALA 28 + H ARG 26 OK 48 96 70 71 3.9-4.4 4.6/5380=33...(9) H SER 22 - H ARG 26 far 15 97 15 - 3.3-6.8 H ALA 77 - H ASN 74 far 2 34 5 - 3.7-10.4 H GLN 79 - H ASN 74 far 0 48 0 - 8.5-16.5 Violated in 0 structures by 0.00 A. Peak 55 from nnoeabs.peaks (4.09, 8.13, 119.29 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.99: * HA GLU 25 + H ARG 26 OK 95 100 100 95 3.4-3.6 3.6=72, 2.9/904=40...(9) HA ARG 26 + H ARG 26 OK 83 83 100 100 2.8-2.9 3.0=100 HA ARG 71 - H ASN 74 poor 10 51 20 - 3.5-8.0 HA ARG 27 - H ARG 26 far 0 65 0 - 5.1-5.3 HA ARG 71 - H ARG 26 far 0 95 0 - 9.4-15.9 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 8 assignments used, quality = 1.00: * HB2 GLU 25 + H ARG 26 OK 94 100 100 94 2.1-4.0 4.7=40, 3.0/58=36...(12) HB3 GLU 25 + H ARG 26 OK 94 100 100 94 2.6-4.0 4.7=40, 3.0/58=36...(12) HB VAL 76 - H ASN 74 far 3 55 5 - 4.2-9.4 HD3 ARG 69 - H ASN 74 far 0 37 0 - 5.6-10.7 HD2 ARG 69 - H ASN 74 far 0 37 0 - 6.4-10.8 HB3 GLU 19 - H ARG 26 far 0 92 0 - 7.2-12.3 HB VAL 45 - H ASN 74 far 0 52 0 - 8.2-14.1 HB3 MET 31 - H ARG 26 far 0 89 0 - 8.8-10.9 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 8 assignments used, quality = 1.00: HB2 GLU 25 + H ARG 26 OK 94 100 100 94 2.1-4.0 4.7=40, 3.0/58=36...(12) * HB3 GLU 25 + H ARG 26 OK 94 100 100 94 2.6-4.0 4.7=40, 3.0/58=36...(12) HB VAL 76 - H ASN 74 far 3 54 5 - 4.2-9.4 HD3 ARG 69 - H ASN 74 far 0 36 0 - 5.6-10.7 HD2 ARG 69 - H ASN 74 far 0 36 0 - 6.4-10.8 HB3 GLU 19 - H ARG 26 far 0 90 0 - 7.2-12.3 HB VAL 45 - H ASN 74 far 0 53 0 - 8.2-14.1 HB3 MET 31 - H ARG 26 far 0 90 0 - 8.8-10.9 Violated in 2 structures by 0.00 A. Peak 58 from nnoeabs.peaks (2.26, 8.13, 119.29 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.99: * HG2 GLU 25 + H ARG 26 OK 99 100 100 99 2.1-4.7 1332/3.6=71, 523/904=62...(7) HG2 GLU 19 - H ARG 26 far 0 63 0 - 8.7-13.8 HG3 GLU 19 - H ARG 26 far 0 63 0 - 8.8-13.1 Violated in 3 structures by 0.01 A. Peak 61 from nnoeabs.peaks (4.07, 8.18, 120.59 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 26 + H ARG 27 OK 100 100 100 100 3.4-3.6 3.6=100 HA GLU 25 + H ARG 27 OK 68 83 95 86 3.7-4.9 3.6/5380=58...(9) HA ARG 71 - H ARG 27 far 0 99 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 62 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 3 out of 8 assignments used, quality = 0.95: * HB2 ARG 26 + H ARG 27 OK 73 100 95 77 2.3-4.1 3.9/5380=31, 4.6=26...(10) HB3 ARG 27 + H ARG 27 OK 59 68 100 87 2.9-3.6 4.1=38, 1.8/1422=17...(20) HB2 ARG 27 + H ARG 27 OK 57 65 100 87 2.1-2.7 4.1=38, 1.8/1422=17...(20) HB3 ARG 26 - H ARG 27 far 10 100 10 - 3.1-4.1 HB3 ARG 71 - H ARG 27 far 0 68 0 - 7.8-12.3 HB ILE 68 - H ARG 27 far 0 89 0 - 7.8-10.1 HB2 ARG 71 - H ARG 27 far 0 65 0 - 7.9-11.9 HG12 ILE 40 - H ARG 27 far 0 71 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 63 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 3 out of 9 assignments used, quality = 0.95: HB2 ARG 26 + H ARG 27 OK 73 100 95 77 2.3-4.1 3.9/5380=31, 4.6=26...(10) HB3 ARG 27 + H ARG 27 OK 57 65 100 87 2.9-3.6 4.1=38, 1.8/1422=17...(20) HB2 ARG 27 + H ARG 27 OK 54 63 100 87 2.1-2.7 4.1=38, 1.8/1422=17...(20) ! HB3 ARG 26 - H ARG 27 far 10 100 10 - 3.1-4.1 HB3 ARG 71 - H ARG 27 far 0 65 0 - 7.8-12.3 HB ILE 68 - H ARG 27 far 0 90 0 - 7.8-10.1 HB2 ARG 71 - H ARG 27 far 0 63 0 - 7.9-11.9 HB2 GLU 19 - H ARG 27 far 0 60 0 - 8.2-15.3 HG12 ILE 40 - H ARG 27 far 0 73 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 64 from nnoeabs.peaks (1.62, 8.18, 120.59 ppm; 3.87 A): 3 out of 4 assignments used, quality = 1.00: HG2 ARG 27 + H ARG 27 OK 96 97 100 99 1.9-4.6 5.0=47, 1418/3.0=30...(27) HG3 ARG 27 + H ARG 27 OK 95 97 100 99 2.0-4.5 5.0=47, 1418/3.0=30...(27) * HG2 ARG 26 + H ARG 27 OK 38 100 40 94 3.8-5.1 1.8/65=53, 529/5380=49...(10) HG2 ARG 71 - H ARG 27 far 0 100 0 - 6.5-13.2 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 = 0.96: * HG3 ARG 26 + H ARG 27 OK 96 100 100 96 2.3-4.7 1390/5380=72...(8) HB ILE 33 - H ARG 27 far 0 83 0 - 7.4-9.0 HG3 ARG 71 - H ARG 27 far 0 100 0 - 7.6-12.7 Violated in 1 structures by 0.00 A. Peak 69 from nnoeabs.peaks (4.12, 8.21, 122.47 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 27 + H ALA 28 OK 100 100 100 100 3.4-3.5 3.6=99, 3.0/71=28...(13) HA GLU 25 + H ALA 28 OK 55 65 100 84 3.1-3.7 4181/2.9=37, 3754=21...(13) HA ARG 23 - H ALA 28 far 0 97 0 - 6.6-8.0 HA ALA 30 - H ALA 28 far 0 83 0 - 6.7-7.1 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 11 assignments used, quality = 1.00: HB3 ARG 27 + H ALA 28 OK 94 100 100 94 2.9-4.1 4.3=51, 3.0/69=34...(15) * HB2 ARG 27 + H ALA 28 OK 94 100 100 94 2.5-3.8 4.3=51, 3.0/69=34...(14) HB2 ARG 26 - H ALA 28 far 0 65 0 - 4.7-5.4 HB3 ARG 26 - H ALA 28 far 0 63 0 - 5.1-5.9 HB2 ARG 66 - H ARG 84 far 0 59 0 - 6.8-29.9 HB2 ARG 23 - H ALA 28 far 0 99 0 - 7.3-9.8 HB3 ARG 23 - H ALA 28 far 0 100 0 - 7.5-9.7 HB2 ARG 71 - H ALA 28 far 0 100 0 - 8.2-12.8 HB3 ARG 71 - H ALA 28 far 0 100 0 - 8.5-12.8 HB2 ARG 17 - H ALA 28 far 0 95 0 - 8.6-19.2 HB2 LYS 39 - H ALA 28 far 0 100 0 - 9.8-13.0 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 11 assignments used, quality = 1.00: * HB3 ARG 27 + H ALA 28 OK 94 100 100 94 2.9-4.1 4.3=51, 3.0/69=34...(15) HB2 ARG 27 + H ALA 28 OK 94 100 100 94 2.5-3.8 4.3=51, 3.0/69=34...(14) HB2 ARG 26 - H ALA 28 far 0 68 0 - 4.7-5.4 HB3 ARG 26 - H ALA 28 far 0 65 0 - 5.1-5.9 HB2 ARG 66 - H ARG 84 far 0 61 0 - 6.8-29.9 HB2 ARG 23 - H ALA 28 far 0 99 0 - 7.3-9.8 HB3 ARG 23 - H ALA 28 far 0 99 0 - 7.5-9.7 HB2 ARG 71 - H ALA 28 far 0 100 0 - 8.2-12.8 HB3 ARG 71 - H ALA 28 far 0 100 0 - 8.5-12.8 HB2 ARG 17 - H ALA 28 far 0 93 0 - 8.6-19.2 HB2 LYS 39 - H ALA 28 far 0 100 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 72 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.51 A): 2 out of 6 assignments used, quality = 1.00: HG3 ARG 27 + H ALA 28 OK 97 100 100 97 3.9-5.3 3.8/69=44, 3757=43...(11) * HG2 ARG 27 + H ALA 28 OK 97 100 100 97 4.1-5.4 3.8/69=44, 2.9/71=41...(12) HG2 ARG 26 - H ALA 28 far 0 97 0 - 5.9-6.9 HB2 LEU 86 - H ARG 84 far 0 71 0 - 6.8-10.6 HG2 ARG 71 - H ALA 28 far 0 96 0 - 7.3-13.6 HB3 GLN 61 - H ALA 28 far 0 63 0 - 8.4-10.6 Violated in 4 structures by 0.01 A. Peak 73 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.51 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 27 + H ALA 28 OK 97 100 100 97 3.9-5.3 3.8/69=44, 3757=43...(11) HG2 ARG 27 + H ALA 28 OK 97 100 100 97 4.1-5.4 3.8/69=44, 2.9/71=41...(12) HG2 ARG 26 - H ALA 28 far 0 97 0 - 5.9-6.9 HB2 LEU 86 - H ARG 84 far 0 69 0 - 6.8-10.6 HG2 ARG 71 - H ALA 28 far 0 95 0 - 7.3-13.6 HB3 GLN 61 - H ALA 28 far 0 65 0 - 8.4-10.6 Violated in 4 structures by 0.01 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 2.4-2.8 907=95, 2.9/78=58...(9) H GLU 25 - H LEU 29 far 0 96 0 - 6.1-6.8 H SER 22 - H LEU 29 far 0 100 0 - 7.6-11.1 H THR 15 - H LEU 29 far 0 98 0 - 9.9-21.0 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 3.5-3.6 3.6=100 HA3 GLY 18 - H LEU 29 far 0 60 0 - 4.9-18.7 HA LYS 32 - H LEU 29 far 0 85 0 - 5.2-7.0 HA2 GLY 18 - H LEU 29 far 0 57 0 - 5.2-18.7 HA THR 37 - H LEU 29 far 0 78 0 - 6.8-9.0 HA2 GLY 21 - H LEU 29 far 0 99 0 - 7.5-12.6 HA3 GLY 21 - H LEU 29 far 0 99 0 - 8.1-12.1 HA GLN 61 - H LEU 29 far 0 99 0 - 9.1-10.9 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 3 assignments used, quality = 0.98: * QB ALA 28 + H LEU 29 OK 98 100 100 98 2.4-2.8 3762=80, 2.9/76=47...(10) QB ALA 16 - H LEU 29 far 0 81 0 - 4.8-16.8 HG3 LYS 32 - H LEU 29 far 0 97 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 79 from nnoeabs.peaks (7.95, 7.98, 123.05 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + H ALA 30 OK 100 100 100 100 2.4-2.7 908=100, 546/3764=31...(14) H LYS 32 - H ALA 30 far 0 97 0 - 3.9-4.2 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 3.5-3.6 3.6=82, 3.0/908=67...(13) HA ALA 30 + H ALA 30 OK 71 71 100 100 2.7-2.9 3.0=100 HB THR 15 - H ALA 30 far 0 99 0 - 6.4-24.1 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 2.6-3.7 3764=100, 546/908=78...(15) HB3 ARG 17 - H ALA 30 far 0 65 0 - 8.0-20.9 HB3 LEU 64 - H ALA 30 far 0 85 0 - 8.0-9.5 Violated in 5 structures by 0.01 A. Peak 82 from nnoeabs.peaks (1.58, 7.98, 123.05 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + H ALA 30 OK 100 100 100 100 3.9-4.0 1.8/3764=76, 547/908=71...(16) Violated in 20 structures by 0.27 A. Peak 83 from nnoeabs.peaks (1.67, 7.98, 123.05 ppm; 3.91 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 29 + H ALA 30 OK 100 100 100 100 1.9-2.9 548/908=83, 3766=80...(15) HB3 LEU 64 - H ALA 30 far 0 76 0 - 8.0-9.5 HG2 ARG 23 - H ALA 30 far 0 100 0 - 9.0-12.9 HB3 GLN 61 - H ALA 30 far 0 92 0 - 9.3-11.6 HB3 LYS 13 - H ALA 30 far 0 99 0 - 9.5-26.7 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 2.9-3.9 2.1/83=90, 549/908=85...(16) Violated in 0 structures by 0.00 A. Peak 85 from nnoeabs.peaks (0.84, 7.98, 123.05 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + H ALA 30 OK 100 100 100 100 3.6-4.0 3768=88, 2.1/83=87...(22) QD2 LEU 64 + H ALA 30 OK 27 100 30 91 5.2-6.1 5162/5535=52...(8) 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 2.4-2.8 909=88, 553/3.6=51...(11) Violated in 0 structures by 0.00 A. Peak 87 from nnoeabs.peaks (4.13, 7.71, 115.23 ppm; 3.57 A): 3 out of 4 assignments used, quality = 1.00: * HA ALA 30 + H MET 31 OK 100 100 100 100 3.3-3.5 3.6=100 HA LEU 29 + H MET 31 OK 65 71 100 91 3.8-4.1 3.6/86=48, 3.0/5525=33...(9) HA ARG 27 + H MET 31 OK 59 83 95 75 3.9-4.5 4807/3.6=40, 5518=26...(6) HA ARG 23 - H MET 31 far 0 98 0 - 9.5-12.0 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 4 assignments used, quality = 1.00: * QB ALA 30 + H MET 31 OK 99 100 100 99 2.7-3.3 3.6=83, 553/86=53...(15) HG12 ILE 33 + H MET 31 OK 61 100 70 87 3.5-4.6 574/5544=27...(14) HG3 LYS 13 - H MET 31 far 0 97 0 - 9.2-27.9 HG2 LYS 13 - H MET 31 far 0 78 0 - 9.8-27.6 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 = 0.99: * H MET 31 + H LYS 32 OK 99 100 100 99 2.0-2.5 3.0/90=57, 910=53...(17) H GLN 61 - H LYS 32 far 0 71 0 - 8.3-11.1 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 3.2-3.4 3.6=95, 3.0/89=53...(9) 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 3 assignments used, quality = 1.00: * HB2 MET 31 + H LYS 32 OK 100 100 100 100 3.1-3.9 4.7=100 HB2 GLU 19 - H LYS 32 far 0 68 0 - 7.8-19.6 HG13 ILE 68 - H LYS 32 far 0 96 0 - 10.0-12.1 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 3 assignments used, quality = 1.00: * HB3 MET 31 + H LYS 32 OK 100 100 100 100 3.3-4.2 4.7=100 HB3 GLU 25 - H LYS 32 far 0 90 0 - 8.8-11.4 HB2 GLU 25 - H LYS 32 far 0 89 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (3.98, 7.91, 120.59 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 32 + H ILE 33 OK 100 100 100 100 2.2-3.1 3776=100, 1558/99=30...(7) HA ALA 28 + H ILE 33 OK 60 85 80 89 3.6-4.5 2.1/5303=48, 4172/575=24...(10) HA GLN 61 - H ILE 33 far 0 96 0 - 6.1-8.3 Violated in 0 structures by 0.00 A. Peak 97 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.5-2.6 1651=69, 3.0/574=43...(11) * HB2 LYS 32 + H ILE 33 OK 29 100 35 84 3.8-4.7 3.0/3776=49, 4.3=38...(8) HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.0-4.5 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.7-7.0 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.7-7.6 HB2 LYS 13 - H ILE 33 far 0 90 0 - 7.1-24.8 HB3 ARG 17 - H ILE 33 far 0 57 0 - 7.5-22.9 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 98 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.5-2.6 1651=69, 3.0/574=43...(11) HB2 LYS 32 + H ILE 33 OK 29 100 35 84 3.8-4.7 3.0/3776=49, 4.3=38...(8) ! HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.0-4.5 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.7-7.0 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.7-7.6 HB2 LYS 13 - H ILE 33 far 0 90 0 - 7.1-24.8 HB3 ARG 17 - H ILE 33 far 0 57 0 - 7.5-22.9 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 99 from nnoeabs.peaks (1.28, 7.91, 120.59 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.99: * HG2 LYS 32 + H ILE 33 OK 99 100 100 99 4.0-4.7 3779=93, 1558/3776=72...(5) QG2 THR 58 - H ILE 33 far 0 60 0 - 7.3-11.1 Violated in 17 structures by 0.20 A. Peak 100 from nnoeabs.peaks (1.33, 7.91, 120.59 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 28 + H ILE 33 OK 97 97 100 100 3.7-4.4 5303=97, 4219/1651=57...(9) ! HG3 LYS 32 - H ILE 33 far 5 100 5 - 4.9-5.6 QG2 THR 58 - H ILE 33 far 0 90 0 - 7.3-11.1 QB ALA 12 - H ILE 33 far 0 100 0 - 9.8-23.6 Violated in 10 structures by 0.11 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 2.9-3.0 3.6=100 HA ALA 16 - H PHE 35 far 0 99 0 - 6.2-19.6 Violated in 0 structures by 0.00 A. Peak 106 from nnoeabs.peaks (1.78, 6.31, 116.43 ppm; 4.24 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + H PHE 35 OK 100 100 100 100 4.2-4.7 4.0=100 HB ILE 33 + H PHE 35 OK 96 97 100 100 3.0-3.4 2.1/4248=94, 3.0/4249=53...(9) HG2 PRO 34 - H PHE 35 far 4 83 5 - 5.1-5.4 HB3 LYS 39 - H PHE 35 far 0 100 0 - 6.8-9.3 HB3 LYS 32 - H PHE 35 far 0 99 0 - 6.9-7.6 HB2 LYS 32 - H PHE 35 far 0 99 0 - 7.3-8.3 HB2 LYS 13 - H PHE 35 far 0 97 0 - 9.2-23.6 HB2 ARG 54 - H PHE 35 far 0 93 0 - 9.3-11.4 HB2 LEU 57 - H PHE 35 far 0 95 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 108 from nnoeabs.peaks (1.76, 6.31, 116.43 ppm; 4.14 A): 2 out of 9 assignments used, quality = 1.00: HB ILE 33 + H PHE 35 OK 98 98 100 100 3.0-3.4 2.1/4248=92, 3.0/4249=50...(9) HB2 PRO 34 + H PHE 35 OK 83 83 100 100 4.2-4.7 4.0=100 ! HG2 PRO 34 - H PHE 35 far 0 100 0 - 5.1-5.4 HB3 ARG 17 - H PHE 35 far 0 90 0 - 6.6-23.1 HB3 LYS 39 - H PHE 35 far 0 76 0 - 6.8-9.3 HB3 LYS 32 - H PHE 35 far 0 93 0 - 6.9-7.6 HB2 LYS 32 - H PHE 35 far 0 93 0 - 7.3-8.3 HB2 ARG 54 - H PHE 35 far 0 99 0 - 9.3-11.4 HB2 LEU 57 - H PHE 35 far 0 99 0 - 9.3-9.7 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 4.0-4.3 2.3/110=74, 5564=54...(13) QD1 ILE 40 - H PHE 35 far 0 95 0 - 5.6-6.6 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 3.6-4.0 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 4.4-4.6 1.8/110=84, 2.3/109=75...(12) HD3 PRO 36 + H PHE 35 OK 68 68 100 100 4.8-4.8 4.8=90, 4251/3.0=79...(13) 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 2.3-2.5 3794=89, 3.8/115=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 2.3-3.0 4.0=100 HG3 PRO 36 - H THR 37 far 3 60 5 - 4.8-5.4 HB ILE 40 - H THR 37 far 0 100 0 - 5.7-6.4 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 3.3-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 115 from nnoeabs.peaks (2.09, 8.81, 115.67 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.93: * HG2 PRO 36 + H THR 37 OK 93 100 100 93 4.2-4.7 3.8/112=66, 4274/586=46...(6) HG3 PRO 36 - H THR 37 far 5 100 5 - 4.8-5.4 HB3 MET 31 - H THR 37 far 0 76 0 - 9.3-12.1 Violated in 19 structures by 0.38 A. Peak 116 from nnoeabs.peaks (2.10, 8.81, 115.67 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.97: HG2 PRO 36 + H THR 37 OK 93 100 100 93 4.2-4.7 3.8/112=66, 4274/586=46...(6) HB2 PRO 36 + H THR 37 OK 60 60 100 100 2.3-3.0 4.0=100 ! HG3 PRO 36 - H THR 37 far 5 100 5 - 4.8-5.4 HB ILE 40 - H THR 37 far 0 63 0 - 5.7-6.4 HB3 MET 31 - H THR 37 far 0 71 0 - 9.3-12.1 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 2.4-2.6 912=87, 3.8/121=43...(9) 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 - 5.6-17.4 HA3 GLY 21 - H ASP 38 far 0 92 0 - 6.3-13.1 HA2 GLY 18 - H ASP 38 far 0 99 0 - 6.5-16.9 HA2 GLY 21 - H ASP 38 far 0 90 0 - 6.8-13.6 HA2 GLY 72 - H ASP 38 far 0 65 0 - 7.3-10.2 HA ALA 28 - H ASP 38 far 0 78 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 121 from nnoeabs.peaks (4.22, 8.70, 119.49 ppm; 3.68 A): 1 out of 5 assignments used, quality = 0.88: * HB THR 37 + H ASP 38 OK 88 100 100 88 3.9-4.1 3800=70, 3.8/119=46...(5) HA GLN 79 - H ASP 38 far 0 68 0 - 5.1-32.0 HA LYS 39 - H ASP 38 far 0 65 0 - 5.3-5.5 HA ALA 78 - H ASP 38 far 0 89 0 - 9.1-28.4 HA THR 15 - H ASP 38 far 0 76 0 - 9.5-23.4 Violated in 20 structures by 0.31 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 1.8-3.6 4.1=100 QG2 THR 15 - H ASP 38 far 0 83 0 - 6.3-19.9 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 2.7-3.0 913=100, 4888/127=36...(13) 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 3.4-3.6 3.6=100 HA LYS 39 + H LYS 39 OK 60 60 100 100 2.7-2.9 3.0=100 HA ALA 20 - H LYS 39 far 0 87 0 - 5.1-18.3 HA GLU 19 - H LYS 39 far 0 78 0 - 6.9-20.0 HA ARG 17 - H LYS 39 far 0 100 0 - 7.5-17.8 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: HB3 ASP 38 + H LYS 39 OK 94 100 100 94 2.2-4.1 4.7=70, 4.0/913=56...(8) * HB2 ASP 38 + H LYS 39 OK 94 100 100 94 2.5-4.0 4.7=70, 4.0/913=56...(8) 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: * HB3 ASP 38 + H LYS 39 OK 94 100 100 94 2.2-4.1 4.7=70, 4.0/913=56...(8) HB2 ASP 38 + H LYS 39 OK 94 100 100 94 2.5-4.0 4.7=70, 4.0/913=56...(8) 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 2.4-2.8 914=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): 2 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 OK 57 60 100 95 3.6-4.3 3.6/914=59, 3.0/4888=45...(8) HB THR 37 - H ILE 40 far 3 65 5 - 4.8-5.8 HA ALA 20 - H ILE 40 far 0 97 0 - 6.8-19.0 HA GLU 19 - H ILE 40 far 0 99 0 - 8.5-20.9 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 2.9-3.9 1.8/130=62, 4.4=62...(11) HB2 ARG 71 - H ILE 40 far 0 100 0 - 7.7-11.9 HB3 ARG 71 - H ILE 40 far 0 100 0 - 8.9-12.9 HB2 ARG 17 - H ILE 40 far 0 92 0 - 9.9-21.0 Violated in 2 structures by 0.02 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 3.5-4.2 1.8/129=86, 4.4=86...(10) HB2 ARG 69 - H ILE 40 far 0 83 0 - 6.9-9.1 HB ILE 33 - H ILE 40 far 0 93 0 - 8.1-8.8 HB3 LYS 73 - H ILE 40 far 0 100 0 - 9.9-12.8 Violated in 4 structures by 0.01 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 2.2-3.0 915=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 4 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 78 100 85 92 4.3-5.2 5130/4.0=54, 5822/610=27...(10) HA VAL 65 - H VAL 41 far 0 100 0 - 7.4-8.6 HD3 PRO 14 - H VAL 41 far 0 90 0 - 8.9-32.2 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 = 1.00: * HB ILE 40 + H VAL 41 OK 100 100 100 100 2.1-2.9 3815=73, 603/915=53...(14) HB2 PRO 36 - H VAL 41 far 0 100 0 - 6.8-7.6 HG3 PRO 36 - H VAL 41 far 0 63 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 140 from nnoeabs.peaks (0.93, 7.63, 114.41 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 41 + H VAL 41 OK 96 100 100 96 1.9-2.5 2.1/610=60, 4.0=42...(16) * QG2 ILE 40 + H VAL 41 OK 95 100 100 95 3.1-3.9 2.1/139=48, 5210/3.0=35...(12) QD2 LEU 43 - H VAL 41 far 0 92 0 - 6.2-7.0 HG12 ILE 68 - H VAL 41 far 0 98 0 - 6.5-8.6 QD1 LEU 64 - H VAL 41 far 0 71 0 - 8.0-10.5 QG2 VAL 76 - H VAL 41 far 0 98 0 - 8.1-16.3 QG1 VAL 76 - H VAL 41 far 0 98 0 - 9.3-15.2 Violated in 0 structures by 0.00 A. Peak 141 from nnoeabs.peaks (1.90, 7.63, 114.41 ppm; 3.28 A): 2 out of 6 assignments used, quality = 0.79: HB VAL 41 + H VAL 41 OK 65 71 100 92 2.6-2.8 3.9=60, 2.1/612=36...(8) * HG12 ILE 40 + H VAL 41 OK 39 100 40 97 3.7-4.9 2.9/139=47, 605/915=46...(13) HB ILE 68 - H VAL 41 far 0 99 0 - 5.4-6.5 HG13 ILE 68 - H VAL 41 far 0 85 0 - 7.5-9.0 HB2 GLU 19 - H VAL 41 far 0 100 0 - 8.6-20.4 HB3 PRO 14 - H VAL 41 far 0 87 0 - 8.8-29.8 Violated in 0 structures by 0.00 A. Peak 142 from nnoeabs.peaks (1.23, 7.63, 114.41 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + H VAL 41 OK 100 100 100 100 3.6-5.0 2.9/139=87, 606/915=79...(12) HG2 ARG 69 + H VAL 41 OK 34 98 35 98 4.8-8.7 5254/3.0=66, ~5253=51...(9) QG1 VAL 65 - H VAL 41 far 5 100 5 - 5.6-7.9 QG2 VAL 65 - H VAL 41 far 0 85 0 - 6.9-8.7 HG13 ILE 33 - H VAL 41 far 0 96 0 - 9.8-10.9 Violated in 2 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 4.3-4.7 3.2/139=82, 607/915=76...(12) 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 2.1-2.6 916=83, 610/146=46...(11) HD21 ASN 42 + H ASN 42 OK 96 100 100 96 1.9-2.1 5089=48, 1.7/5088=43...(11) 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 3.4-3.6 3.6=100 HD3 PRO 36 - H ASN 42 far 0 96 0 - 8.6-9.1 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 4 assignments used, quality = 1.00: * HB VAL 41 + H ASN 42 OK 100 100 100 100 2.3-3.1 3821=80, 2.1/147=58...(11) HG12 ILE 40 - H ASN 42 far 0 71 0 - 5.5-6.7 HB2 GLU 19 - H ASN 42 far 0 83 0 - 9.0-21.4 HG13 ILE 68 - H ASN 42 far 0 99 0 - 9.8-11.3 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 3.6-3.9 4.1=78, 2.1/146=77...(10) QG2 ILE 68 - H ASN 42 far 0 95 0 - 5.1-6.6 QD1 ILE 68 - H ASN 42 far 0 92 0 - 7.5-8.8 Violated in 14 structures by 0.03 A. Peak 148 from nnoeabs.peaks (0.94, 7.72, 113.33 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 41 + H ASN 42 OK 100 100 100 100 3.4-3.9 4.1=78, 2.1/146=77...(10) QG2 ILE 40 - H ASN 42 far 0 100 0 - 4.8-5.6 QD2 LEU 43 - H ASN 42 far 0 97 0 - 5.3-5.8 QG2 VAL 76 - H ASN 42 far 0 93 0 - 7.5-16.4 HG12 ILE 68 - H ASN 42 far 0 93 0 - 8.7-10.9 QG1 VAL 76 - H ASN 42 far 0 93 0 - 9.0-15.5 QD1 LEU 64 - H ASN 42 far 0 83 0 - 9.7-12.3 Violated in 6 structures by 0.02 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 2.4-3.0 917=100, 3.0/3824=55...(8) H GLU 50 - H LEU 43 far 0 98 0 - 9.3-10.6 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 2.3-3.4 4.4=75, 3.0/3824=73...(6) HB3 ASN 42 + H LEU 43 OK 98 100 100 98 2.9-4.1 4.4=75, 3.0/3824=73...(6) 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: * HB3 ASN 42 + H LEU 43 OK 98 100 100 98 2.9-4.1 4.4=75, 3.0/3824=73...(6) HB2 ASN 42 + H LEU 43 OK 98 100 100 98 2.3-3.4 4.4=75, 3.0/3824=73...(6) 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 = 0.99: * HA PRO 44 + H VAL 45 OK 99 100 100 99 2.4-2.6 3829=89, 2.3/156=43...(8) 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...(9) 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 97 100 100 97 2.2-2.6 2.3/155=67, 4.2=55...(9) HB VAL 45 + H VAL 45 OK 69 71 100 97 2.1-2.2 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): 2 out of 2 assignments used, quality = 0.99: * H VAL 45 + H ASP 46 OK 99 100 100 99 2.5-2.6 630/166=63, 4.6=61...(8) H ASN 49 + H ASP 46 OK 48 68 80 88 4.5-5.0 4489/3.0=40, 4487/3.5=32...(8) 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 3.4-3.5 3.5=100 HD3 PRO 44 - H ASP 46 far 8 76 10 - 4.9-5.9 Violated in 0 structures by 0.00 A. Peak 164 from nnoeabs.peaks (2.06, 8.77, 119.44 ppm; 3.38 A): 3 out of 5 assignments used, quality = 1.00: * HB VAL 45 + H ASP 46 OK 99 100 100 99 3.6-3.7 2.1/166=72, 3835=67...(8) HG2 PRO 44 + H ASP 46 OK 56 87 100 64 3.0-3.5 2.3/5131=21, 2.3/5132=19...(9) HB3 PRO 44 + H ASP 46 OK 54 71 100 77 2.3-2.3 4431/919=25, 4.2/162=21...(8) HB2 GLU 50 - H ASP 46 far 0 71 0 - 6.4-7.5 HB3 GLU 50 - H ASP 46 far 0 71 0 - 8.1-9.2 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 4.2-4.3 2.1/166=91, 4.2=88...(11) Violated in 20 structures by 0.19 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 2.3-2.4 3837=84, 2.1/3835=44...(12) 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 97 100 100 97 2.3-2.9 171=67, 174/638=30...(20) * H ASP 46 + H ASP 47 OK 96 100 100 96 2.5-2.7 919=67, 634/170=38...(15) 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 3.5-3.6 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 3 assignments used, quality = 0.94: * HB2 ASP 46 + H ASP 47 OK 94 100 100 94 2.7-3.3 1.8/170=76, 633/919=47...(6) HB3 ASN 49 - H ASP 47 far 0 81 0 - 6.3-7.7 HB2 ASN 80 - H ASP 47 far 0 100 0 - 8.4-31.7 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 2.6-3.1 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 = 0.99: * H ASP 47 + H PHE 48 OK 99 100 100 99 2.3-2.9 920=50, 638/174=40...(20) HE ARG 54 - H PHE 48 far 0 100 0 - 6.3-11.9 H ILE 40 - H PHE 48 far 0 71 0 - 8.6-9.4 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 2 assignments used, quality = 1.00: * HA ASP 47 + H PHE 48 OK 100 100 100 100 3.5-3.6 3.6=100 HA MET 11 - H PHE 48 far 0 97 0 - 8.8-43.9 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 2.3-3.9 4.3=79, 1.8/174=77...(12) 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 2.3-3.8 4.3=75, 1.8/173=73...(12) 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...(13) H ASP 46 - H ASN 49 far 0 100 0 - 4.5-5.0 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 - 6.3-8.0 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 3 assignments used, quality = 0.99: * HB2 PHE 48 + H ASN 49 OK 99 100 100 99 2.4-3.8 4.3=59, 2.5/180=53...(12) HD3 ARG 84 - H ASN 49 far 0 73 0 - 8.5-39.0 HD2 ARG 84 - H ASN 49 far 0 78 0 - 9.7-40.5 Violated in 5 structures by 0.04 A. Peak 178 from nnoeabs.peaks (2.88, 8.65, 117.58 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 48 + H ASN 49 OK 96 100 100 96 2.2-4.0 1.8/177=56, 2.5/180=39...(11) HB2 ASN 49 + H ASN 49 OK 88 92 100 96 2.1-2.5 1.8/648=58, 2167=50...(11) 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 2.8-3.2 2.5/177=75, 4603=74...(14) 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 2.6-3.0 922=100, 648/184=40...(10) H VAL 45 - H GLU 50 far 0 68 0 - 7.6-8.1 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 3.5-3.6 3.6=100 HA ALA 53 - H GLU 50 far 0 71 0 - 7.5-8.2 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 = 0.97: * HB2 ASN 49 + H GLU 50 OK 97 100 100 97 2.4-3.8 4.2=70, 1.8/184=68...(5) HB3 PHE 48 - H GLU 50 far 5 90 5 - 4.6-6.3 Violated in 2 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 2.9-4.1 4.2=82, 1.8/183=81...(4) HB2 ASP 47 - H GLU 50 far 0 96 0 - 5.1-6.2 HB2 ASP 46 - H GLU 50 far 0 81 0 - 5.3-6.9 Violated in 3 structures by 0.01 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 2.3-2.7 923=100, 5670/660=28...(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 - 9.6-11.3 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 = 1.00: * HB2 GLU 50 + H LEU 51 OK 94 100 100 94 2.7-3.2 3.9/923=39, 4.7=36...(14) HB3 GLU 50 + H LEU 51 OK 92 100 100 92 3.4-3.9 3.9/923=39, 4.7=36...(12) HG2 PRO 44 - H LEU 51 far 0 99 0 - 6.9-7.7 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.7-11.1 HD3 ARG 69 - H LEU 51 far 0 97 0 - 8.1-12.1 HB VAL 45 - H LEU 51 far 0 71 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 190 from nnoeabs.peaks (2.04, 7.53, 121.73 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 50 + H LEU 51 OK 94 100 100 94 2.7-3.2 3.9/923=39, 4.7=36...(14) * HB3 GLU 50 + H LEU 51 OK 92 100 100 92 3.4-3.9 3.9/923=39, 4.7=36...(12) HG2 PRO 44 - H LEU 51 far 0 99 0 - 6.9-7.7 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.7-11.1 HD3 ARG 69 - H LEU 51 far 0 97 0 - 8.1-12.1 HB VAL 45 - H LEU 51 far 0 71 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 192 from nnoeabs.peaks (2.21, 7.53, 121.73 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 50 + H LEU 51 OK 100 100 100 100 4.5-4.9 3855=89, 656/923=75...(8) Violated in 17 structures by 0.03 A. Peak 193 from nnoeabs.peaks (7.53, 7.43, 115.28 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 51 + H LEU 52 OK 100 100 100 100 2.6-2.9 924=92, 660/196=46...(14) H ARG 54 + H LEU 52 OK 89 100 100 89 3.6-4.1 926/200=51, 4567/3.6=33...(9) 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 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 195 from nnoeabs.peaks (1.32, 7.43, 115.28 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.98: HB2 LEU 52 + H LEU 52 OK 93 93 100 99 3.6-3.6 1.8/667=70, 3.9=60...(11) * HB2 LEU 51 + H LEU 52 OK 78 100 80 97 2.6-4.2 1.8/196=66, 2216/924=45...(9) HG2 ARG 54 - H LEU 52 far 0 92 0 - 4.5-6.9 Violated in 17 structures by 0.06 A. Peak 196 from nnoeabs.peaks (1.60, 7.43, 115.28 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 51 + H LEU 52 OK 99 100 100 99 2.5-3.5 3858=71, 660/924=53...(11) HG3 ARG 54 - H LEU 52 far 0 76 0 - 5.2-7.0 HD3 LYS 39 - H LEU 52 far 0 89 0 - 7.4-11.3 HD2 LYS 39 - H LEU 52 far 0 90 0 - 7.8-11.2 HB3 LEU 62 - H LEU 52 far 0 97 0 - 7.8-9.4 HG3 ARG 84 - H LEU 52 far 0 99 0 - 9.7-39.6 Violated in 1 structures by 0.00 A. Peak 197 from nnoeabs.peaks (0.89, 7.43, 115.28 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 51 + H LEU 52 OK 100 100 100 100 3.0-4.6 3.0/196=79, 5684=74...(12) QD1 LEU 62 - H LEU 52 far 13 87 15 - 5.2-6.7 QD1 LEU 86 - H LEU 52 far 0 100 0 - 8.9-41.1 Violated in 3 structures by 0.01 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 3.4-4.5 4.6=99 Violated in 0 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 = 1.00: * H LEU 52 + H ALA 53 OK 100 100 100 100 2.4-2.7 925=87, 667/203=40...(14) 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; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 52 + H ALA 53 OK 100 100 100 100 3.6-4.0 1.8/203=79, 3863=68...(9) HG2 ARG 54 + H ALA 53 OK 30 60 55 90 4.0-5.7 3.0/4963=40, 4.9/926=38...(10) HB2 LEU 51 - H ALA 53 far 0 93 0 - 4.9-6.1 QG2 THR 58 - H ALA 53 far 0 76 0 - 9.4-10.9 Violated in 5 structures by 0.01 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 2.6-2.9 3864=58, 667/200=56...(10) HB3 LEU 57 - H ALA 53 far 0 100 0 - 7.1-8.6 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 3.9-4.4 668/200=80, 3.0/203=78...(12) QG2 VAL 65 - H ALA 53 far 0 89 0 - 7.0-8.0 Violated in 1 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 4.2-4.6 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; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + H ALA 53 OK 100 100 100 100 4.5-4.8 3867=100, 2287/3.6=83...(10) Violated in 10 structures by 0.01 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 2.3-2.5 926=100, 673/209=49...(15) 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 3 assignments used, quality = 1.00: * HA ALA 53 + H ARG 54 OK 100 100 100 100 3.3-3.6 3.6=100 HA ASN 49 - H ARG 54 far 0 71 0 - 6.8-7.5 HA ILE 89 - H ARG 54 far 0 99 0 - 7.7-56.1 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 2 assignments used, quality = 0.99: * QB ALA 53 + H ARG 54 OK 99 100 100 99 2.4-3.3 3.6=92, 673/926=67...(8) HG3 LYS 39 - H ARG 54 far 0 96 0 - 9.7-11.7 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 2.1-2.7 927=87, 2315/213=28...(12) H LEU 51 - H TYR 55 far 0 100 0 - 6.0-6.8 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 3.4-3.5 3.6=100 HA PHE 48 - H TYR 55 far 0 81 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (1.76, 7.69, 117.85 ppm; 3.85 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 54 + H TYR 55 OK 99 100 100 99 2.6-3.3 1.8/213=74, 676/210=70...(9) HB2 LEU 57 + H TYR 55 OK 55 100 65 84 4.5-6.2 3.1/5730=41, 3.0/5733=38...(8) HG2 PRO 34 - H TYR 55 far 0 99 0 - 5.4-7.0 HB2 PRO 34 - H TYR 55 far 0 93 0 - 5.8-8.4 HB2 LEU 62 - H TYR 55 far 0 85 0 - 8.5-10.7 HB3 LYS 39 - H TYR 55 far 0 89 0 - 9.4-12.9 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 = 0.99: * HB3 ARG 54 + H TYR 55 OK 99 100 100 99 3.3-4.0 3872=65, 2315/210=60...(9) HG3 ARG 54 - H TYR 55 poor 16 63 25 - 4.6-5.1 HG LEU 62 - H TYR 55 far 0 87 0 - 6.4-8.4 HG2 LYS 39 - H TYR 55 far 0 100 0 - 9.4-11.2 Violated in 12 structures by 0.04 A. Peak 214 from nnoeabs.peaks (1.31, 7.69, 117.85 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 54 + H TYR 55 OK 100 100 100 100 4.4-5.4 4.8=100 HB2 LEU 52 + H TYR 55 OK 34 60 60 95 5.2-6.0 3.0/4581=79, 4.6/4973=55...(6) HB2 LEU 51 - H TYR 55 far 9 92 10 - 5.8-7.1 QG2 THR 58 - H TYR 55 far 0 99 0 - 8.1-9.2 Violated in 1 structures by 0.00 A. Peak 215 from nnoeabs.peaks (1.58, 7.69, 117.85 ppm; 3.91 A): 2 out of 8 assignments used, quality = 0.71: HB3 ARG 54 + H TYR 55 OK 61 63 100 98 3.3-4.0 1.8/3871=61, 4.6=60...(9) * HG3 ARG 54 + H TYR 55 OK 25 100 25 99 4.6-5.1 2332/3.6=55, 4.8=53...(8) HB3 LEU 51 - H TYR 55 far 0 76 0 - 5.6-6.8 HG LEU 62 - H TYR 55 far 0 97 0 - 6.4-8.4 HD3 LYS 39 - H TYR 55 far 0 99 0 - 8.4-12.5 HD2 LYS 39 - H TYR 55 far 0 99 0 - 8.7-12.6 HB3 LEU 62 - H TYR 55 far 0 96 0 - 9.1-11.2 HG2 LYS 39 - H TYR 55 far 0 63 0 - 9.4-11.2 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 = 0.99: * HA PRO 56 + H LEU 57 OK 99 100 100 99 2.2-3.3 3879=97, 2.3/219=28...(8) Violated in 19 structures by 0.25 A. Peak 219 from nnoeabs.peaks (2.09, 8.15, 124.80 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 56 + H LEU 57 OK 100 100 100 100 4.0-4.3 4.0=93, 2.3/218=87...(6) HG3 PRO 56 + H LEU 57 OK 32 100 35 91 4.7-5.3 3.8/218=59, 1.8/220=39...(6) HB3 MET 31 - H LEU 57 far 0 87 0 - 9.4-11.6 HB2 GLU 59 - H LEU 57 far 0 100 0 - 9.4-10.8 HB3 GLU 59 - H LEU 57 far 0 100 0 - 9.7-11.0 Violated in 13 structures by 0.05 A. Peak 220 from nnoeabs.peaks (2.03, 8.15, 124.80 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.98: * HB3 PRO 56 + H LEU 57 OK 84 100 85 99 3.9-4.7 4.0=84, 2.3/218=84...(6) HG2 PRO 56 + H LEU 57 OK 84 99 95 89 3.4-5.8 3.8/218=56, 2.3/219=48...(6) HB VAL 90 - H LEU 57 far 0 95 0 - 9.5-57.1 Violated in 3 structures by 0.01 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 4.5-4.6 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): 2 out of 2 assignments used, quality = 0.99: * HA LEU 57 + H THR 58 OK 92 100 100 92 2.1-2.4 3.6=64, 3.0/228=35...(7) HB THR 58 + H THR 58 OK 88 100 100 88 3.4-3.8 2.1/2478=58, 4.1=43...(5) Violated in 0 structures by 0.00 A. Peak 227 from nnoeabs.peaks (1.77, 9.06, 113.20 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 57 + H THR 58 OK 100 100 100 100 3.6-4.3 4.2=100 HB2 LEU 62 + H THR 58 OK 50 83 75 80 4.6-5.4 4.0/5368=46...(4) HG2 PRO 34 - H THR 58 far 0 99 0 - 6.0-7.2 HB2 LYS 32 - H THR 58 far 0 99 0 - 6.2-10.4 HB3 LYS 32 - H THR 58 far 0 99 0 - 7.7-10.8 HB2 PRO 34 - H THR 58 far 0 95 0 - 8.0-9.9 HB ILE 33 - H THR 58 far 0 100 0 - 9.1-10.6 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 5 assignments used, quality = 0.99: * HB3 LEU 57 + H THR 58 OK 99 100 100 99 2.4-3.3 4.2=82, 3.1/230=58...(10) QB ALA 63 - H THR 58 far 0 87 0 - 6.8-7.6 HG12 ILE 33 - H THR 58 far 0 73 0 - 7.7-9.6 HB3 LEU 52 - H THR 58 far 0 100 0 - 8.8-9.9 HG13 ILE 89 - H THR 58 far 0 60 0 - 10.0-53.1 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 3.3-3.6 3888=73, 2457/3.6=58...(14) QD1 ILE 33 - H THR 58 far 5 100 5 - 4.8-6.2 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 4.5-5.1 4.8=100 Violated in 18 structures by 0.04 A. Peak 233 from nnoeabs.peaks (4.43, 9.11, 120.45 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.97: * HA THR 58 + H GLU 59 OK 97 100 100 97 2.4-2.6 3890=83, 3.0/234=51...(6) HA MET 31 - H GLU 59 far 0 96 0 - 9.8-12.9 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 = 0.87: * HB THR 58 + H GLU 59 OK 87 100 100 87 1.9-2.5 3.0/233=45, 2.1/235=42...(7) HA LEU 57 - H GLU 59 far 0 100 0 - 6.4-6.5 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 3 assignments used, quality = 1.00: * QG2 THR 58 + H GLU 59 OK 100 100 100 100 2.8-3.8 3892=97, 2.1/234=87...(9) HB2 LEU 52 - H GLU 59 far 0 76 0 - 8.3-9.7 HG3 LYS 32 - H GLU 59 far 0 90 0 - 9.9-16.2 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 2.5-2.8 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 - 7.2-7.7 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 94 100 100 94 3.1-4.1 4.6=77, 4626/4643=30...(7) HB3 GLU 59 + H SER 60 OK 92 100 100 92 3.0-4.1 4.6=77, 701/4.7=26...(6) HB3 MET 31 - H SER 60 far 0 81 0 - 6.8-10.5 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.3-11.4 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 94 100 100 94 3.1-4.1 4.6=77, 4626/4643=30...(7) * HB3 GLU 59 + H SER 60 OK 92 100 100 92 3.0-4.1 4.6=77, 701/4.7=26...(6) HB3 MET 31 - H SER 60 far 0 81 0 - 6.8-10.5 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.3-11.4 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 2.3-2.8 931=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 - 7.5-8.0 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 = 0.98: HB3 SER 60 + H GLN 61 OK 86 100 100 86 2.4-4.0 4.4=66, 3.8/931=40...(5) * HB2 SER 60 + H GLN 61 OK 86 100 100 86 2.2-3.4 4.4=66, 3.8/931=40...(5) 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 = 0.98: * HB3 SER 60 + H GLN 61 OK 86 100 100 86 2.4-4.0 4.4=66, 3.8/931=40...(5) HB2 SER 60 + H GLN 61 OK 86 100 100 86 2.2-3.4 4.4=66, 3.8/931=40...(5) 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...(16) H TYR 55 - H LEU 62 far 0 99 0 - 8.8-10.4 H MET 31 - H LEU 62 far 0 71 0 - 9.9-11.9 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 - 8.3-9.0 HA ALA 28 - H LEU 62 far 0 99 0 - 9.3-10.7 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 2.3-2.6 1.8/249=69, 711/932=55...(11) HG3 MET 31 - H LEU 62 far 0 100 0 - 7.3-10.2 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 3.2-3.8 1.8/248=80, 4.6=62...(9) 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 3.8-4.7 3.0/248=79, 3.0/249=76...(9) HG2 MET 31 - H LEU 62 far 0 73 0 - 7.2-10.3 Violated in 5 structures by 0.01 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...(14) 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 3 assignments used, quality = 1.00: * HB2 LEU 62 + H ALA 63 OK 100 100 100 100 3.1-3.4 3907=100, 1.8/258=72...(14) HB2 LEU 57 - H ALA 63 far 0 83 0 - 6.9-7.4 HB2 ARG 84 - H ALA 63 far 0 83 0 - 9.1-36.5 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 5 assignments used, quality = 0.99: * HB3 LEU 62 + H ALA 63 OK 99 100 100 99 2.5-3.4 1.8/3907=75, 3765=49...(13) HG LEU 62 - H ALA 63 far 0 78 0 - 4.8-5.0 HB3 LEU 86 - H ALA 63 far 0 71 0 - 8.2-38.8 HG LEU 86 - H ALA 63 far 0 97 0 - 9.4-40.2 HB2 LEU 86 - H ALA 63 far 0 68 0 - 9.8-39.4 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 4 assignments used, quality = 0.78: HB3 LEU 62 + H ALA 63 OK 78 78 100 99 2.5-3.4 1.8/3907=75, 3765=46...(13) ! HG LEU 62 - H ALA 63 far 0 100 0 - 4.8-5.0 HG LEU 64 - H ALA 63 far 0 68 0 - 5.1-7.1 HB3 LEU 86 - H ALA 63 far 0 100 0 - 8.2-38.8 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 3.7-4.9 3910=100, 3.1/3907=88...(13) QD1 LEU 64 - H ALA 63 far 0 71 0 - 6.1-6.8 QG2 ILE 40 - H ALA 63 far 0 100 0 - 8.2-9.1 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 2 assignments used, quality = 1.00: * QD1 LEU 62 + H ALA 63 OK 100 100 100 100 4.6-4.8 3.1/3907=83, 3.1/258=81...(13) QD1 LEU 86 - H ALA 63 far 0 93 0 - 7.7-34.1 Violated in 18 structures by 0.05 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 2.6-3.0 934=100, 726/263=62...(8) H ARG 69 - H LEU 64 far 0 100 0 - 8.1-8.6 H ARG 70 - H LEU 64 far 0 71 0 - 9.3-10.3 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 - 6.4-7.1 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 3 assignments used, quality = 0.98: * QB ALA 63 + H LEU 64 OK 98 100 100 98 2.0-2.8 3913=84, 726/934=57...(11) HB3 LEU 57 - H LEU 64 far 0 87 0 - 6.5-7.5 HB3 LEU 52 - H LEU 64 far 0 95 0 - 9.8-11.6 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 2.3-2.8 935=81, 2619/266=41...(15) H LEU 52 - H VAL 65 far 0 97 0 - 8.9-10.3 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 - 6.6-7.4 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 2.7-3.6 3915=59, 1.8/3916=47...(14) QE MET 31 - H VAL 65 far 0 87 0 - 4.8-6.8 HG LEU 57 - H VAL 65 far 0 89 0 - 7.8-8.6 HB3 ARG 70 - H VAL 65 far 0 89 0 - 8.3-12.0 HB2 ARG 70 - H VAL 65 far 0 89 0 - 9.3-12.0 Violated in 2 structures by 0.02 A. Peak 267 from nnoeabs.peaks (1.70, 8.38, 117.58 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + H VAL 65 OK 100 100 100 100 4.0-4.3 1.8/266=85, 3916=70...(14) HG3 ARG 66 + H VAL 65 OK 52 100 65 80 3.9-6.2 744/271=51, 4683/5796=28...(6) HG2 ARG 70 - H VAL 65 far 0 97 0 - 8.4-12.0 Violated in 13 structures by 0.03 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 2.4-3.7 3.0/266=74, 2.1/269=72...(12) HG LEU 62 - H VAL 65 far 0 68 0 - 5.1-5.9 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 3.3-4.2 2.1/268=72, 3.1/266=71...(14) QD1 LEU 43 - H VAL 65 far 0 92 0 - 9.7-10.7 Violated in 7 structures by 0.01 A. Peak 270 from nnoeabs.peaks (0.95, 8.38, 117.58 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + H VAL 65 OK 100 100 100 100 3.6-4.7 2.1/269=74, 3919=73...(14) QD2 LEU 62 + H VAL 65 OK 30 71 50 85 4.8-6.1 4.0/4674=48...(9) QG2 ILE 40 - H VAL 65 far 0 71 0 - 5.2-6.1 QG2 VAL 41 - H VAL 65 far 0 83 0 - 8.2-9.2 Violated in 4 structures by 0.04 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 2.5-3.1 936=96, 736/273=49...(11) 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 3.5-3.6 3.6=100 HA ARG 69 - H ARG 66 far 0 100 0 - 7.1-7.9 HA ILE 40 - H ARG 66 far 0 100 0 - 7.7-9.5 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 = 0.99: * HB VAL 65 + H ARG 66 OK 99 100 100 99 2.0-3.5 3921=67, 736/271=55...(12) HG2 GLU 59 - H ARG 66 far 0 97 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (1.23, 8.59, 117.85 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + H ARG 66 OK 100 100 100 100 2.4-3.9 4.1=72, 2.1/273=70...(15) QG2 VAL 65 + H ARG 66 OK 82 83 100 99 3.3-4.3 4.1=72, 2.1/273=70...(14) HG2 ARG 69 - H ARG 66 far 0 99 0 - 5.4-8.6 HG13 ILE 40 - H ARG 66 far 0 100 0 - 6.5-9.2 HG13 ILE 33 - H ARG 66 far 0 95 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 275 from nnoeabs.peaks (1.21, 8.59, 117.85 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 65 + H ARG 66 OK 99 100 100 99 3.3-4.3 2.1/273=64, 4.1=62...(14) QG1 VAL 65 + H ARG 66 OK 82 83 100 98 2.4-3.9 2.1/273=64, 4.1=62...(15) HG2 ARG 69 - H ARG 66 far 0 63 0 - 5.4-8.6 HG LEU 52 - H ARG 66 far 0 89 0 - 6.3-8.2 HG13 ILE 40 - H ARG 66 far 0 85 0 - 6.5-9.2 HG13 ILE 33 - H ARG 66 far 0 99 0 - 7.9-8.7 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 2.6-2.8 937=100, 743/280=37...(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 6 assignments used, quality = 1.00: * HA ARG 66 + H ASP 67 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 70 - H ASP 67 far 0 71 0 - 7.0-8.3 HA GLN 61 - H ASP 67 far 0 96 0 - 7.5-8.2 HA2 GLY 72 - H ASP 67 far 0 93 0 - 8.5-11.0 HA ALA 28 - H ASP 67 far 0 85 0 - 9.0-10.1 HA VAL 76 - H ASP 67 far 0 98 0 - 9.9-18.7 Violated in 0 structures by 0.00 A. Peak 278 from nnoeabs.peaks (1.88, 7.93, 121.56 ppm; 3.98 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 66 + H ASP 67 OK 99 100 100 99 3.6-4.1 4.6=63, 741/937=61...(11) HB ILE 68 + H ASP 67 OK 66 81 95 86 4.4-5.0 3.9/284=55, 2.9/279=28...(9) HB2 ARG 71 - H ASP 67 far 0 76 0 - 6.4-8.6 HB3 ARG 71 - H ASP 67 far 0 78 0 - 6.4-9.5 HG12 ILE 40 - H ASP 67 far 0 60 0 - 6.7-9.6 HB3 ARG 27 - H ASP 67 far 0 78 0 - 7.1-9.7 HB2 ARG 27 - H ASP 67 far 0 76 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 279 from nnoeabs.peaks (1.94, 7.93, 121.56 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 66 + H ASP 67 OK 99 100 100 99 2.4-4.2 742/937=59, 4.6=54...(16) HG13 ILE 68 + H ASP 67 OK 78 87 100 90 4.1-4.6 2770/284=44, 2.9/278=22...(11) HB3 ARG 70 - H ASP 67 far 9 95 10 - 4.5-8.2 HB2 ARG 70 - H ASP 67 far 0 95 0 - 5.5-8.3 HB2 MET 31 - H ASP 67 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 280 from nnoeabs.peaks (2.01, 7.93, 121.56 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 66 + H ASP 67 OK 100 100 100 100 2.2-4.5 743/937=75, 2699/3.6=68...(13) HD2 ARG 69 - H ASP 67 far 0 83 0 - 5.5-9.0 HD3 ARG 69 - H ASP 67 far 0 83 0 - 5.8-8.4 QE MET 31 - H ASP 67 far 0 81 0 - 7.4-9.1 Violated in 13 structures by 0.02 A. Peak 281 from nnoeabs.peaks (1.70, 7.93, 121.56 ppm; 4.78 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 66 + H ASP 67 OK 100 100 100 100 2.9-5.2 1.8/280=87, 5802=78...(17) HG2 ARG 70 + H ASP 67 OK 33 95 40 88 4.6-8.3 5052/3.0=60, ~5050=31...(8) HB3 LEU 64 + H ASP 67 OK 28 100 30 95 5.5-5.9 3.0/4737=77, 3.1/4741=46...(7) 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 2.4-2.8 938=80, 749/286=43...(15) H ARG 70 - H ILE 68 far 8 78 10 - 3.8-4.8 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 - 5.9-9.0 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 2.5-3.7 3932=76, 1.8/287=75...(7) HB3 PHE 48 - H ILE 68 far 0 90 0 - 9.5-10.9 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 2.1-3.8 1.8/286=72, 3933=63...(9) HB2 ASN 74 - H ILE 68 far 0 65 0 - 9.6-14.1 Violated in 2 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 2.3-2.8 939=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 3.4-3.5 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 = 0.97: * HB ILE 68 + H ARG 69 OK 97 100 100 97 2.7-3.1 3935=61, 2.1/291=58...(12) HG13 ILE 68 - H ARG 69 far 0 65 0 - 4.3-4.6 HG12 ILE 40 - H ARG 69 far 0 99 0 - 5.0-7.5 HB2 ARG 66 - H ARG 69 far 0 81 0 - 5.1-5.8 Violated in 0 structures by 0.00 A. Peak 291 from nnoeabs.peaks (0.81, 7.98, 119.32 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 68 + H ARG 69 OK 100 100 100 100 3.3-3.8 2.1/290=74, 4.1=67...(18) QD1 ILE 68 - H ARG 69 poor 19 63 30 - 4.4-4.8 QG1 VAL 41 - H ARG 69 far 0 95 0 - 5.6-6.6 QD1 LEU 43 - H ARG 69 far 0 81 0 - 8.6-9.1 Violated in 8 structures by 0.03 A. Peak 292 from nnoeabs.peaks (0.92, 7.98, 119.32 ppm; 3.48 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 40 + H ARG 69 OK 97 98 100 99 2.4-3.6 4326=68, 4303/760=40...(19) QG2 VAL 41 + H ARG 69 OK 43 93 50 92 3.8-5.1 5130/2.9=48, 1982/4.1=18...(16) ! HG12 ILE 68 - H ARG 69 far 0 100 0 - 5.1-5.3 QD2 LEU 62 - H ARG 69 far 0 98 0 - 7.3-9.5 QG1 VAL 76 - H ARG 69 far 0 100 0 - 7.7-13.7 QG2 VAL 76 - H ARG 69 far 0 100 0 - 8.8-15.7 HG LEU 51 - H ARG 69 far 0 60 0 - 9.5-11.7 Violated in 3 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 = 0.63: HB ILE 68 + H ARG 69 OK 63 65 100 96 2.7-3.1 2.1/291=62, 4.4=46...(12) ! HG13 ILE 68 - H ARG 69 far 5 100 5 - 4.3-4.6 HG12 ILE 40 - H ARG 69 far 0 85 0 - 5.0-7.5 HB3 ARG 66 - H ARG 69 far 0 87 0 - 5.4-6.1 HB VAL 41 - H ARG 69 far 0 99 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 294 from nnoeabs.peaks (0.78, 7.98, 119.32 ppm; 3.86 A): 2 out of 3 assignments used, quality = 0.96: * QD1 ILE 68 + H ARG 69 OK 89 100 90 99 4.4-4.8 3.2/290=63, 3939=54...(12) QG2 ILE 68 + H ARG 69 OK 63 63 100 100 3.3-3.8 4.1=82, 2.1/290=81...(18) QG1 VAL 41 - H ARG 69 far 0 92 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. Peak 295 from nnoeabs.peaks (7.98, 7.95, 118.23 ppm; 2.73 A): 1 out of 4 assignments used, quality = 0.85: * H ARG 69 + H ARG 70 OK 85 100 100 85 2.3-2.8 760/297=27, 4.6=21...(14) H GLY 72 - H ARG 70 far 0 99 0 - 3.7-4.7 H LYS 73 - H ARG 70 far 0 93 0 - 4.6-5.1 H VAL 76 - H ARG 70 far 0 76 0 - 6.7-12.8 Violated in 7 structures by 0.02 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 - 6.3-7.4 HA ILE 40 - H ARG 70 far 0 100 0 - 7.8-9.4 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 2.6-3.7 760/940=65, 4.3=62...(14) HB2 LYS 73 - H ARG 70 far 0 83 0 - 5.1-7.1 HB3 LYS 73 - H ARG 70 far 0 71 0 - 5.5-7.1 HB3 LYS 75 - H ARG 70 far 0 92 0 - 7.2-12.7 Violated in 1 structures by 0.00 A. Peak 298 from nnoeabs.peaks (1.39, 7.95, 118.23 ppm; 3.96 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 69 + H ARG 70 OK 100 100 100 100 2.2-4.3 1.8/297=83, 4.3=81...(17) HG3 ARG 69 + H ARG 70 OK 60 87 70 99 2.5-4.9 1.8/3943=70, 3.0/297=65...(16) QB ALA 78 - H ARG 70 far 5 99 5 - 4.8-16.7 QB ALA 77 - H ARG 70 far 0 85 0 - 6.4-13.6 HG3 LYS 73 - H ARG 70 far 0 99 0 - 7.2-8.5 HG3 LYS 75 - H ARG 70 far 0 100 0 - 8.0-14.3 HG2 LYS 75 - H ARG 70 far 0 100 0 - 8.1-14.4 QB ALA 20 - H ARG 70 far 0 89 0 - 9.1-18.2 Violated in 0 structures by 0.00 A. Peak 300 from nnoeabs.peaks (1.38, 7.95, 118.23 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.95: HB3 ARG 69 + H ARG 70 OK 87 87 100 100 2.2-4.3 1.8/297=82, 4.3=77...(17) * HG3 ARG 69 + H ARG 70 OK 64 100 65 99 2.5-4.9 1.8/3943=68, 3.0/297=64...(15) QB ALA 78 - H ARG 70 far 0 97 0 - 4.8-16.7 QB ALA 77 - H ARG 70 far 0 100 0 - 6.4-13.6 HG3 LYS 73 - H ARG 70 far 0 97 0 - 7.2-8.5 HG3 LYS 75 - H ARG 70 far 0 95 0 - 8.0-14.3 HG2 LYS 75 - H ARG 70 far 0 95 0 - 8.1-14.4 QB ALA 20 - H ARG 70 far 0 100 0 - 9.1-18.2 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=41...(16) H ASP 67 - H ARG 71 far 0 78 0 - 5.5-7.0 H VAL 76 - H ARG 71 far 0 99 0 - 7.1-13.0 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 3 assignments used, quality = 1.00: * HA ARG 70 + H ARG 71 OK 100 100 100 100 3.4-3.6 3.6=100 HA ARG 66 - H ARG 71 far 0 71 0 - 6.3-7.7 HB2 SER 22 - H ARG 71 far 0 98 0 - 7.3-14.0 Violated in 0 structures by 0.00 A. Peak 305 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.99: HB3 ARG 70 + H ARG 71 OK 95 100 100 95 2.7-3.8 4.4=44, 2.9/307=42...(16) * HB2 ARG 70 + H ARG 71 OK 85 100 90 94 2.2-4.3 4.4=44, 2.9/307=42...(16) HB3 ARG 66 - H ARG 71 far 0 95 0 - 7.1-9.5 HB VAL 41 - H ARG 71 far 0 71 0 - 7.1-9.2 HB2 GLN 79 - H ARG 71 far 0 96 0 - 8.6-24.8 Violated in 7 structures by 0.04 A. Peak 306 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.99: * HB3 ARG 70 + H ARG 71 OK 95 100 100 95 2.7-3.8 4.4=44, 2.9/307=42...(16) HB2 ARG 70 + H ARG 71 OK 85 100 90 94 2.2-4.3 4.4=44, 2.9/307=42...(16) HB3 ARG 66 - H ARG 71 far 0 95 0 - 7.1-9.5 HB VAL 41 - H ARG 71 far 0 71 0 - 7.1-9.2 HB2 GLN 79 - H ARG 71 far 0 96 0 - 8.6-24.8 Violated in 7 structures by 0.04 A. Peak 307 from nnoeabs.peaks (1.71, 8.11, 117.98 ppm; 4.04 A): 1 out of 3 assignments used, quality = 0.99: * HG2 ARG 70 + H ARG 71 OK 99 100 100 99 2.1-4.2 2844/3.6=55, 770/303=54...(16) HG3 ARG 66 - H ARG 71 far 0 95 0 - 8.1-10.7 HB3 LEU 64 - H ARG 71 far 0 97 0 - 9.9-10.7 Violated in 7 structures by 0.02 A. Peak 308 from nnoeabs.peaks (1.61, 8.11, 117.98 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: HG2 ARG 71 + H ARG 71 OK 99 99 100 100 2.0-3.7 1.8/779=81, 2920=55...(25) * HG3 ARG 70 + H ARG 71 OK 74 100 75 99 2.1-4.9 1.8/307=68, 2845/3.6=49...(16) HD3 LYS 73 - H ARG 71 far 0 100 0 - 6.6-9.6 HD2 LYS 73 - H ARG 71 far 0 100 0 - 7.4-9.6 HG3 ARG 27 - H ARG 71 far 0 83 0 - 9.0-12.5 HG2 ARG 27 - H ARG 71 far 0 85 0 - 9.3-13.2 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 - 8.0-12.0 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 = 1.00: * HB2 ARG 71 + H GLY 72 OK 96 100 100 96 2.2-4.2 4.4=57, 4.0/5397=45...(13) HB3 ARG 71 + H GLY 72 OK 96 100 100 96 3.0-4.2 4.4=57, 4.0/5397=45...(11) HB2 LYS 75 - H GLY 72 far 0 97 0 - 6.7-11.8 HB3 ARG 23 - H GLY 72 far 0 100 0 - 7.7-14.6 HB2 ARG 23 - H GLY 72 far 0 99 0 - 8.0-14.3 HB2 ARG 66 - H GLY 72 far 0 76 0 - 8.5-10.5 HB3 ARG 27 - H GLY 72 far 0 100 0 - 9.2-13.2 HB2 ARG 27 - 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 = 1.00: HB2 ARG 71 + H GLY 72 OK 96 100 100 96 2.2-4.2 4.4=57, 4.0/5397=45...(13) * HB3 ARG 71 + H GLY 72 OK 96 100 100 96 3.0-4.2 4.4=57, 4.0/5397=45...(11) HB2 LYS 75 - H GLY 72 far 0 97 0 - 6.7-11.8 HB3 ARG 23 - H GLY 72 far 0 99 0 - 7.7-14.6 HB2 ARG 23 - H GLY 72 far 0 99 0 - 8.0-14.3 HB2 ARG 66 - H GLY 72 far 0 78 0 - 8.5-10.5 HB3 ARG 27 - H GLY 72 far 0 100 0 - 9.2-13.2 HB2 ARG 27 - H GLY 72 far 0 100 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 6 assignments used, quality = 1.00: * HA2 GLY 72 + H LYS 73 OK 100 100 100 100 2.7-3.6 3.6=100 HA3 GLY 21 - H LYS 73 far 0 96 0 - 7.1-19.7 HA VAL 76 - H LYS 73 far 0 100 0 - 7.2-12.3 HA ARG 66 - H LYS 73 far 0 93 0 - 7.9-10.2 HA2 GLY 21 - H LYS 73 far 0 97 0 - 8.1-19.2 HA THR 37 - H LYS 73 far 0 65 0 - 9.2-11.0 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 2.8-3.6 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): 1 out of 4 assignments used, quality = 1.00: * H LYS 73 + H ASN 74 OK 100 100 100 100 2.3-4.4 944=100, 788/4.3=61...(5) H GLY 72 - H ASN 74 poor 17 99 30 58 3.7-7.1 4.5/944=45, 2968/4.3=20 H ALA 30 - H ARG 26 far 0 50 0 - 5.8-6.6 H ARG 69 - H ASN 74 far 0 93 0 - 6.6-10.3 Violated in 7 structures by 0.04 A. Peak 323 from nnoeabs.peaks (4.18, 8.15, 119.01 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 73 + H ASN 74 OK 99 99 100 100 2.1-3.6 3.6=100 HA ALA 78 - H ASN 74 far 0 81 0 - 7.0-14.0 HA LEU 29 - H ARG 26 far 0 34 0 - 7.4-7.9 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 5 assignments used, quality = 0.99: * HB2 LYS 73 + H ASN 74 OK 99 100 100 99 3.0-4.7 4.3=84, 787/944=55...(9) HB2 LYS 75 - H ASN 74 poor 18 83 35 61 4.3-7.3 803/4.6=29, 3964=15...(6) HB2 ARG 23 - H ARG 26 far 2 36 5 - 4.7-6.4 HB3 ARG 23 - H ARG 26 far 0 34 0 - 5.1-6.1 HB2 ARG 69 - H ASN 74 far 0 83 0 - 6.1-10.1 Violated in 8 structures by 0.23 A. Peak 325 from nnoeabs.peaks (1.78, 8.15, 119.01 ppm; 3.98 A): 3 out of 7 assignments used, quality = 0.99: * HB3 LYS 73 + H ASN 74 OK 99 100 100 99 2.1-4.1 4.3=80, 1.8/324=63...(8) HG3 ARG 26 + H ARG 26 OK 27 28 100 95 2.0-3.5 4.9=53, 2901/3.0=25...(19) HB3 LYS 75 + H ASN 74 OK 25 97 45 57 3.7-7.4 804/4.6=19, 6053/3.0=17...(6) HB2 ARG 69 - H ASN 74 far 0 71 0 - 6.1-10.1 HG3 ARG 71 - H ASN 74 far 0 68 0 - 6.5-10.8 HG3 ARG 71 - H ARG 26 far 0 33 0 - 8.3-13.8 HB ILE 33 - H ARG 26 far 0 55 0 - 8.8-10.5 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 11 assignments used, quality = 0.99: * HG3 LYS 73 + H ASN 74 OK 99 100 100 99 2.2-5.4 2963/3.6=72, 2.9/324=70...(8) HG3 LYS 75 + H ASN 74 OK 23 100 35 65 3.2-8.3 2.7/3965=21, 2.7/3964=20...(6) QB ALA 77 - H ASN 74 poor 19 96 20 - 1.9-10.5 HG2 LYS 75 - H ASN 74 poor 19 100 30 63 3.5-8.8 2.7/3965=21, 2.7/3964=20...(6) QB ALA 20 - H ARG 26 poor 16 54 30 - 3.3-9.8 QB ALA 78 - H ASN 74 far 5 100 5 - 5.5-12.9 HG3 ARG 69 - H ASN 74 far 5 97 5 - 4.2-10.1 HB3 ARG 69 - H ASN 74 far 0 99 0 - 6.4-9.9 QB ALA 16 - H ARG 26 far 0 30 0 - 7.3-16.1 QB ALA 20 - H ASN 74 far 0 97 0 - 7.6-20.5 QB ALA 77 - H ARG 26 far 0 52 0 - 9.5-23.3 Violated in 3 structures by 0.01 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 2.1-3.5 3.6=100 HA ASN 80 - H LYS 85 far 0 52 0 - 8.8-15.7 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 = 0.95: * HB2 ASN 74 + H LYS 75 OK 91 100 100 91 2.1-4.7 4.6=73, ~5875=37...(7) HB3 ASN 74 + H LYS 75 OK 47 57 100 82 1.9-4.6 4.6=73, 797/4.6=16...(6) 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 = 0.97: * HB3 ASN 74 + H LYS 75 OK 94 100 100 94 1.9-4.6 4.6=79, 5875/3.0=41...(8) HB2 ASN 74 + H LYS 75 OK 53 57 100 92 2.1-4.7 4.6=79, ~5875=40...(7) HB3 ASN 80 - H LYS 85 far 0 31 0 - 7.4-17.8 HB3 ASN 80 - H LYS 75 far 0 71 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 339 from nnoeabs.peaks (4.24, 7.96, 120.67 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.97: * HA LYS 75 + H VAL 76 OK 97 100 100 97 2.2-3.4 3975=72, 3.0/340=39...(12) HA ALA 77 - H VAL 76 far 0 97 0 - 4.1-4.8 HA ALA 20 - H VAL 76 far 0 89 0 - 6.6-28.3 HA GLU 19 - H VAL 76 far 0 95 0 - 9.7-30.4 Violated in 13 structures by 0.13 A. Peak 340 from nnoeabs.peaks (1.84, 7.96, 120.67 ppm; 3.69 A): 1 out of 7 assignments used, quality = 0.99: * HB2 LYS 75 + H VAL 76 OK 99 100 100 99 2.1-3.8 3976=71, 3.0/339=68...(11) HB2 LYS 73 - H VAL 76 far 0 83 0 - 5.3-10.5 HB2 ARG 71 - H VAL 76 far 0 97 0 - 5.7-15.0 HB3 ARG 71 - H VAL 76 far 0 97 0 - 5.9-15.1 HB2 ARG 23 - H VAL 76 far 0 100 0 - 8.2-23.5 HB3 ARG 23 - H VAL 76 far 0 100 0 - 9.4-23.6 HB2 ARG 17 - H VAL 76 far 0 100 0 - 9.9-35.0 Violated in 8 structures by 0.01 A. Peak 341 from nnoeabs.peaks (1.79, 7.96, 120.67 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 75 + H VAL 76 OK 100 100 100 100 1.9-4.4 3977=74, 3.0/339=70...(13) HB3 LYS 73 - H VAL 76 poor 13 97 25 55 3.6-9.7 3.0/5431=41, 3977=12...(5) HB2 ARG 69 - H VAL 76 far 0 92 0 - 7.9-13.9 Violated in 15 structures by 0.18 A. Peak 349 from nnoeabs.peaks (3.97, 8.23, 126.87 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.97: * HA VAL 76 + H ALA 77 OK 97 100 100 97 2.1-3.4 3984=76, 3.0/350=41...(12) HA2 GLY 72 - H ALA 77 far 0 100 0 - 6.5-16.3 HA ARG 66 - H ALA 77 far 0 98 0 - 7.2-18.7 HA3 GLY 21 - H ALA 77 far 0 89 0 - 7.5-29.5 HA2 GLY 21 - H ALA 77 far 0 90 0 - 9.0-29.2 Violated in 5 structures by 0.02 A. Peak 350 from nnoeabs.peaks (2.04, 8.23, 126.87 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.99: * HB VAL 76 + H ALA 77 OK 99 100 100 99 3.0-4.0 3.0/349=66, 4.4=59...(11) HB VAL 45 - H ALA 77 far 0 81 0 - 6.4-22.7 HD3 ARG 69 - H ALA 77 far 0 93 0 - 7.8-17.7 HD2 ARG 69 - H ALA 77 far 0 93 0 - 8.2-19.0 HB3 GLU 19 - H ALA 77 far 0 99 0 - 9.4-33.1 Violated in 17 structures by 0.15 A. Peak 351 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 76 + H ALA 77 OK 99 100 100 99 1.9-4.4 2.1/350=70, 4.3=66...(13) * QG1 VAL 76 + H ALA 77 OK 99 100 100 99 3.0-4.4 2.1/350=70, 4.3=66...(13) QG2 VAL 41 - H ALA 77 far 0 93 0 - 5.9-15.0 QG2 ILE 40 - H ALA 77 far 0 98 0 - 9.6-17.1 QD2 LEU 62 - H ALA 77 far 0 98 0 - 9.8-20.8 Violated in 0 structures by 0.00 A. Peak 352 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 76 + H ALA 77 OK 99 100 100 99 1.9-4.4 2.1/350=70, 4.3=66...(13) QG1 VAL 76 + H ALA 77 OK 99 100 100 99 3.0-4.4 2.1/350=70, 4.3=66...(13) QG2 VAL 41 - H ALA 77 far 0 93 0 - 5.9-15.0 QG2 ILE 40 - H ALA 77 far 0 98 0 - 9.6-17.1 QD2 LEU 62 - H ALA 77 far 0 98 0 - 9.8-20.8 Violated in 0 structures by 0.00 A. Peak 354 from nnoeabs.peaks (4.23, 8.15, 122.77 ppm; 2.99 A): 2 out of 6 assignments used, quality = 0.92: * HA ALA 77 + H ALA 78 OK 77 100 100 77 2.1-3.5 3.6=59, 2.1/355=29...(5) HA ALA 78 + H ALA 78 OK 63 63 100 100 2.3-2.9 2.9=100 HA LYS 75 - H ALA 78 far 0 97 0 - 4.9-9.8 HA GLU 19 - H ALA 78 far 0 76 0 - 6.0-34.6 HA ALA 20 - H ALA 78 far 0 65 0 - 7.2-33.1 HA THR 15 - H ALA 78 far 0 96 0 - 7.5-46.4 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 10 assignments used, quality = 0.97: QB ALA 78 + H ALA 78 OK 89 96 100 93 2.0-2.9 2.9=92, 3.6/5857=12...(4) * QB ALA 77 + H ALA 78 OK 73 100 100 73 2.1-3.7 3.6=51, 2.1/354=31...(5) QB ALA 20 - H ALA 78 far 0 100 0 - 4.5-28.2 HG2 LYS 75 - H ALA 78 far 0 93 0 - 5.0-12.5 HG3 LYS 73 - H ALA 78 far 0 96 0 - 5.8-15.9 HG3 ARG 69 - H ALA 78 far 0 100 0 - 6.1-18.1 QB ALA 16 - H ALA 78 far 0 90 0 - 6.4-36.5 HG3 LYS 75 - H ALA 78 far 0 93 0 - 6.7-11.8 HB3 ARG 69 - H ALA 78 far 0 85 0 - 7.6-19.7 HG2 LYS 83 - H ALA 78 far 0 99 0 - 9.3-19.7 Violated in 0 structures by 0.00 A. Peak 357 from nnoeabs.peaks (4.21, 8.22, 118.71 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 78 + H GLN 79 OK 100 100 100 100 2.2-3.6 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 poor 14 65 45 46 3.1-6.9 3.6/5857=30, 2.1/358=15...(5) HA LYS 73 - H GLN 79 far 0 69 0 - 9.1-19.0 Violated in 0 structures by 0.00 A. Peak 358 from nnoeabs.peaks (1.39, 8.22, 118.71 ppm; 3.96 A): 2 out of 10 assignments used, quality = 1.00: * QB ALA 78 + H GLN 79 OK 100 100 100 100 2.1-3.7 3.6=100 QB ALA 77 + H GLN 79 OK 22 96 45 50 2.7-6.1 3.6/5857=24, 4.6/5412=18...(8) HG2 LYS 75 - H GLN 79 far 0 100 0 - 5.7-14.5 HG3 ARG 69 - H GLN 79 far 0 97 0 - 6.1-21.2 QB ALA 16 - H GLN 79 far 0 63 0 - 6.4-40.0 HG3 LYS 75 - H GLN 79 far 0 100 0 - 7.3-14.1 HG2 LYS 83 - H GLN 79 far 0 85 0 - 7.5-17.1 HB3 ARG 69 - H GLN 79 far 0 99 0 - 7.9-24.1 HG3 LYS 73 - H GLN 79 far 0 100 0 - 8.0-18.0 QB ALA 20 - H GLN 79 far 0 97 0 - 8.2-31.3 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 2.2-2.9 3.6=100 HA ARG 84 + H LYS 83 OK 76 99 100 76 4.5-5.6 3.9/5896=40, 6062/4.0=30...(6) HA GLN 79 - H LYS 83 far 0 83 0 - 6.7-12.4 HA ALA 78 - H LYS 83 far 0 60 0 - 9.4-15.4 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 5 assignments used, quality = 1.00: * HB2 ARG 82 + H LYS 83 OK 100 100 100 100 2.0-4.4 4.4=100 HB3 LYS 83 + H LYS 83 OK 76 76 100 100 2.3-3.8 4.0=100 HB3 LYS 85 - H LYS 83 far 3 63 5 - 4.9-10.2 HD3 LYS 13 - H LYS 83 far 0 60 0 - 8.6-61.4 HD2 LYS 13 - H LYS 83 far 0 60 0 - 9.6-60.5 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 = 0.98: * HB3 ARG 82 + H LYS 83 OK 88 100 100 88 3.3-4.6 4.4=66, 5479/5.0=40...(6) HB2 LYS 83 + H LYS 83 OK 86 90 100 95 2.2-4.0 4.0=88, 1.8/833=43...(6) Violated in 0 structures by 0.00 A. Peak 367 from nnoeabs.peaks (4.24, 8.20, 122.31 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 83 + H ARG 84 OK 100 100 100 100 2.1-3.6 3.6=100 HA LYS 85 + H ARG 84 OK 27 93 55 52 4.5-5.8 ~377=27, 3999=18...(4) HB THR 37 - H ALA 28 poor 20 65 40 77 4.0-6.6 ~6128=41, ~5532=41...(6) HA ALA 20 - H ALA 28 far 0 69 0 - 6.1-13.9 HA LEU 64 - H ALA 28 far 0 71 0 - 7.8-9.2 HA GLU 19 - H ALA 28 far 0 76 0 - 8.2-14.7 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 = 0.97: * HB2 LYS 83 + H ARG 84 OK 87 100 100 87 2.5-4.5 4.3=70, 1.8/369=36...(6) HB3 ARG 84 + H ARG 84 OK 79 81 100 99 2.5-4.0 4.0=88, 1.8/842=43...(13) HB3 ARG 82 - H ARG 84 far 5 90 5 - 4.6-7.6 HB ILE 33 - H ALA 28 far 0 77 0 - 5.1-6.7 HB2 LYS 85 - H ARG 84 far 0 81 0 - 5.4-7.5 HB2 LYS 32 - H ALA 28 far 0 83 0 - 8.8-9.9 HB3 LYS 32 - H ALA 28 far 0 83 0 - 9.2-10.6 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 8 assignments used, quality = 1.00: HB2 ARG 84 + H ARG 84 OK 97 98 100 99 2.2-3.9 4.0=83, 1.8/843=42...(16) * HB3 LYS 83 + H ARG 84 OK 87 100 100 87 2.1-4.6 4.3=66, 1.8/368=38...(6) HB2 ARG 82 - H ARG 84 far 11 76 15 - 2.9-6.8 HB3 LYS 85 - H ARG 84 far 10 100 10 - 4.4-7.0 HB2 LEU 29 - H ALA 28 far 0 86 0 - 4.7-6.1 HB3 LEU 64 - H ALA 28 far 0 65 0 - 6.1-8.0 HG3 ARG 66 - H ARG 84 far 0 78 0 - 7.0-31.0 HB3 ARG 17 - H ALA 28 far 0 52 0 - 9.5-18.8 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 6 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=24...(12) HA LYS 73 - H LYS 75 poor 15 52 55 52 3.1-7.0 5431/4.6=25, 4008=16...(7) HA ARG 82 - H LYS 85 far 0 99 0 - 6.5-9.7 HA GLN 79 - H LYS 85 far 0 95 0 - 8.3-18.3 HA ALA 78 - H LYS 75 far 0 35 0 - 8.5-11.6 HA ILE 89 - H LYS 85 far 0 92 0 - 9.3-15.2 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 = 1.00: HB3 LYS 85 + H LYS 85 OK 96 100 100 96 2.3-3.5 4.0=80, 387/4.7=33...(10) * HB2 ARG 84 + H LYS 85 OK 92 100 100 92 2.1-4.5 4.6=53, 3.0/377=53...(8) HB3 LYS 83 - H LYS 85 far 5 98 5 - 2.7-8.0 HG2 ARG 70 - H LYS 75 far 0 41 0 - 6.1-10.6 HG3 ARG 71 - H LYS 75 far 0 31 0 - 7.9-11.9 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 8 assignments used, quality = 1.00: HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.3-4.0 4.0=82, 1.8/851=39...(8) * HB3 ARG 84 + H LYS 85 OK 93 100 100 93 2.0-4.6 4.6=55, 3.0/377=54...(8) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.1-3.9 4.0=85, 3977/4.6=28...(15) HB3 LYS 73 - H LYS 75 poor 17 31 55 - 2.2-6.9 HB2 LYS 73 - H LYS 75 far 6 38 15 - 3.4-7.8 HB2 LYS 83 - H LYS 85 far 4 81 5 - 4.4-8.1 HB2 ARG 69 - H LYS 75 far 0 54 0 - 6.9-12.6 HB ILE 89 - H LYS 85 far 0 81 0 - 9.4-17.3 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 - 7.5-9.9 Violated in 1 structures by 0.00 A. Peak 386 from nnoeabs.peaks (1.80, 8.27, 123.92 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LYS 85 + H LEU 86 OK 99 100 100 99 2.0-4.2 3.0/385=81, 1.8/387=78...(6) HB3 ARG 84 - H LEU 86 far 5 100 5 - 2.6-8.0 HB2 LYS 83 - H LEU 86 far 0 81 0 - 6.4-10.6 HB ILE 89 - H LEU 86 far 0 81 0 - 9.3-13.9 Violated in 1 structures by 0.00 A. Peak 387 from nnoeabs.peaks (1.72, 8.27, 123.92 ppm; 4.12 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LYS 85 + H LEU 86 OK 99 100 100 99 3.5-4.1 3.0/385=80, 1.8/386=75...(4) HB2 ARG 84 - H LEU 86 far 5 100 5 - 4.1-7.7 HB3 LYS 83 - H LEU 86 far 0 100 0 - 6.8-10.8 HB2 ARG 82 - H LEU 86 far 0 63 0 - 7.4-13.8 HG3 ARG 66 - H LEU 86 far 0 65 0 - 8.7-36.3 HB2 LEU 62 - H LEU 86 far 0 73 0 - 8.9-39.4 Violated in 1 structures by 0.00 A. Peak 395 from nnoeabs.peaks (4.30, 8.42, 121.83 ppm; 3.00 A): 2 out of 4 assignments used, quality = 0.99: 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 86 100 100 86 2.1-3.5 3.6=60, 3.0/397=29...(9) HA THR 88 - H GLU 87 far 0 78 0 - 4.5-5.6 HA SER 60 - H GLU 87 far 0 73 0 - 9.1-44.6 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 5 assignments used, quality = 1.00: * HB2 LEU 86 + H GLU 87 OK 100 100 100 100 2.0-4.6 4.6=100 HG LEU 86 + H GLU 87 OK 80 90 95 93 2.2-5.6 3.0/397=71, 5.3/5898=43...(8) HG3 ARG 84 - H GLU 87 far 0 81 0 - 5.6-11.6 HG2 ARG 84 - H GLU 87 far 0 81 0 - 6.7-11.5 HB3 LEU 62 - H GLU 87 far 0 68 0 - 6.8-40.7 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 3 assignments used, quality = 0.99: * HB3 LEU 86 + H GLU 87 OK 99 100 100 99 2.3-4.4 4.6=83, 861/5898=56...(11) HB3 LEU 62 - H GLU 87 far 0 71 0 - 6.8-40.7 HG LEU 62 - H GLU 87 far 0 100 0 - 9.1-42.6 Violated in 2 structures by 0.01 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 - 4.2-6.5 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 3 assignments used, quality = 0.84: * HA THR 88 + H ILE 89 OK 84 100 100 84 2.1-3.1 3.5=65, 3590/409=32...(6) HA LEU 86 - H ILE 89 far 0 78 0 - 7.1-9.7 HA SER 60 - H ILE 89 far 0 100 0 - 10.0-49.3 Violated in 1 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 2.1-4.2 4.4=85, 3590/408=81...(4) HA GLN 91 - H ILE 89 far 0 93 0 - 5.3-9.1 Violated in 1 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 = 1.00: * QG2 THR 88 + H ILE 89 OK 99 100 100 99 2.3-4.5 3.9=91, 3.2/408=66...(6) HG12 ILE 89 + H ILE 89 OK 96 100 100 96 2.0-4.2 1.8/5269=65, 2.9/877=63...(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 3 assignments used, quality = 0.98: * HA ILE 89 + H VAL 90 OK 98 100 100 98 2.1-2.6 4038=98, 5432/3.9=14 HA ALA 53 - H VAL 90 far 0 99 0 - 5.8-58.0 HB THR 15 - H ALA 12 far 0 54 0 - 8.7-13.5 Violated in 0 structures by 0.00 A. Peak 414 from nnoeabs.peaks (0.84, 8.27, 125.92 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 89 + H VAL 90 OK 100 100 100 100 2.0-3.8 4.4=100 QD2 LEU 86 - H VAL 90 far 5 98 5 - 4.5-12.7 QD1 LEU 43 - H ALA 12 far 2 48 5 - 5.5-31.7 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=7 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 3.9-4.5 4.4=100 HB3 GLN 91 + H GLN 91 OK 78 78 100 100 2.3-3.7 3.6=100 HB2 GLU 87 - H GLN 91 far 0 95 0 - 6.9-14.0 HB3 PRO 56 - H GLN 91 far 0 95 0 - 7.9-62.7 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 2.0-4.0 4.1=100 QG2 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-4.3 4.1=100 QD1 LEU 86 - H GLN 91 far 0 96 0 - 6.2-14.0 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 2.0-4.3 4.1=100 QG1 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-4.0 4.1=100 QD1 LEU 86 - H GLN 91 far 0 97 0 - 6.2-14.0 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 2.5-2.9 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 2 assignments used, quality = 1.00: * HB2 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.6-2.8 3.5=91, 4.1/5089=31...(8) HB3 ASN 42 + HD21 ASN 42 OK 96 100 100 96 3.5-3.5 3.5=91, 4.1/5089=31...(6) 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 2 assignments used, quality = 1.00: HB2 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.6-2.8 3.5=91, 4.1/5089=31...(8) * HB3 ASN 42 + HD21 ASN 42 OK 96 100 100 96 3.5-3.5 3.5=91, 4.1/5089=31...(6) 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 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 431 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 42 + HD22 ASN 42 OK 100 100 100 100 3.6-3.7 3.5=100 HB3 ASN 42 + HD22 ASN 42 OK 100 100 100 100 4.1-4.1 3.5=100 HB3 ASN 80 - HD22 ASN 42 far 0 100 0 - 9.7-30.9 Violated in 0 structures by 0.00 A. Peak 432 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 42 + HD22 ASN 42 OK 100 100 100 100 4.1-4.1 3.5=100 HB2 ASN 42 + HD22 ASN 42 OK 100 100 100 100 3.6-3.7 3.5=100 HB3 ASN 80 - HD22 ASN 42 far 0 100 0 - 9.7-30.9 Violated in 0 structures by 0.00 A. Peak 433 from nnoeabs.peaks (7.62, 6.94, 113.85 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 42 + HD22 ASN 42 OK 100 100 100 100 1.7-1.7 1.7=100 H VAL 41 - HD22 ASN 42 far 0 100 0 - 4.7-5.5 HD21 ASN 74 - HD22 ASN 42 far 0 93 0 - 8.5-15.2 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 4 assignments used, quality = 1.00: * H ASN 49 + HD21 ASN 49 OK 100 100 100 100 3.7-4.7 649=100, 650/1.7=95...(7) H VAL 45 - HD21 ASN 49 far 0 68 0 - 6.2-7.4 H ASN 49 - HE22 GLN 79 far 0 99 0 - 7.7-33.6 H VAL 45 - HE22 GLN 79 far 0 66 0 - 9.5-31.9 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 3 assignments used, quality = 1.00: * HB2 ASN 49 + HD21 ASN 49 OK 100 100 100 100 2.2-3.5 3.5=100 HB3 PHE 48 - HD21 ASN 49 far 0 90 0 - 5.3-7.9 HB2 ASN 49 - HE22 GLN 79 far 0 99 0 - 6.5-34.4 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 6 assignments used, quality = 1.00: * HB3 ASN 49 + HD21 ASN 49 OK 100 100 100 100 2.8-4.0 3.5=100 HB2 ASP 46 - HD21 ASN 49 far 12 81 15 - 4.2-7.8 HB2 ASN 80 - HE22 GLN 79 far 0 69 0 - 5.8-10.6 HB2 ASN 80 - HD21 ASN 49 far 0 71 0 - 5.8-31.5 HB3 ASN 49 - HE22 GLN 79 far 0 99 0 - 6.3-34.8 HB2 ASP 47 - HD21 ASN 49 far 0 96 0 - 6.8-10.1 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 2 assignments used, quality = 1.00: * HD22 ASN 49 + HD21 ASN 49 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 49 - HE22 GLN 79 far 0 99 0 - 4.8-33.5 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 2.7-4.3 650=100, 649/1.7=78...(7) H VAL 45 - HD22 ASN 49 far 0 68 0 - 5.9-6.7 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 4.1-4.7 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 2.1-3.5 3.5=100 HB3 PHE 48 - HD22 ASN 49 far 14 90 15 - 4.3-7.8 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 4 assignments used, quality = 1.00: * HB3 ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.7-3.8 3.5=100 HB2 ASP 46 - HD22 ASN 49 far 0 81 0 - 4.9-8.0 HB2 ASN 80 - HD22 ASN 49 far 0 71 0 - 6.4-29.9 HB2 ASP 47 - HD22 ASN 49 far 0 96 0 - 6.9-9.8 Violated in 2 structures by 0.01 A. Peak 445 from nnoeabs.peaks (6.86, 7.83, 112.13 ppm; 2.52 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HD22 ASN 49 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 79 - HD22 ASN 49 far 0 100 0 - 4.8-33.5 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 2.1-4.1 3.5=100 HB3 ASN 74 + HD21 ASN 74 OK 57 57 100 100 2.2-4.0 3.5=100 HB3 ASP 67 - HD21 ASN 74 far 0 65 0 - 8.6-16.8 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 3 assignments used, quality = 1.00: * HB3 ASN 74 + HD21 ASN 74 OK 100 100 100 100 2.2-4.0 3.5=100 HB2 ASN 74 + HD21 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HB3 ASN 80 - HD21 ASN 74 far 0 71 0 - 8.7-23.0 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 - 6.4-23.9 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 4 assignments used, quality = 1.00: * HA ASN 74 + HD22 ASN 74 OK 100 100 100 100 1.9-5.0 4.4=100 HA ASN 80 + HD22 ASN 80 OK 95 95 100 100 3.3-5.2 4.3=100 HA ASN 74 - HD22 ASN 80 far 0 97 0 - 8.8-21.2 HA ASN 80 - HD22 ASN 74 far 0 99 0 - 9.8-21.9 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 2.1-4.1 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HB3 ASN 74 - HD22 ASN 80 far 0 53 0 - 6.5-20.9 HB2 ASN 74 - HD22 ASN 80 far 0 97 0 - 8.1-20.8 HB3 ASP 67 - HD22 ASN 74 far 0 65 0 - 9.1-17.6 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 6 assignments used, quality = 1.00: * HB3 ASN 74 + HD22 ASN 74 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 ASN 80 + HD22 ASN 80 OK 66 66 100 100 2.3-4.1 3.5=100 HB2 ASN 74 + HD22 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HB3 ASN 74 - HD22 ASN 80 far 0 97 0 - 6.5-20.9 HB2 ASN 74 - HD22 ASN 80 far 0 53 0 - 8.1-20.8 HB3 ASN 80 - HD22 ASN 74 far 0 71 0 - 8.5-21.6 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 74 - HD22 ASN 80 far 0 97 0 - 6.4-23.9 HD21 ASN 42 - HD22 ASN 74 far 0 93 0 - 9.0-15.0 H VAL 41 - HD22 ASN 74 far 0 92 0 - 9.7-15.3 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 6 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 88 - H VAL 90 far 4 36 10 - 4.4-6.5 HA SER 60 - H VAL 90 far 0 38 0 - 8.8-53.0 HA THR 15 - H ALA 12 far 0 96 0 - 9.1-11.9 HA LYS 39 - H ALA 12 far 0 99 0 - 9.7-36.6 HA LYS 85 - H VAL 90 far 0 26 0 - 9.9-16.4 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 5 assignments used, quality = 1.00: * QB ALA 12 + H ALA 12 OK 100 100 100 100 2.1-2.9 2.9=100 HG3 LYS 32 - H ALA 12 far 0 100 0 - 6.8-31.8 HB2 LEU 51 - H ALA 12 far 0 97 0 - 8.1-38.1 HG2 ARG 54 - H VAL 90 far 0 30 0 - 8.6-58.7 QG2 THR 58 - H VAL 90 far 0 38 0 - 9.0-47.8 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 - 8.2-37.7 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 - 6.5-27.9 HB3 LYS 39 - H LYS 13 far 0 99 0 - 7.8-32.3 HB2 LYS 32 - H LYS 13 far 0 90 0 - 8.2-28.9 HB3 ARG 82 - H LYS 13 far 0 73 0 - 9.1-59.7 Violated in 0 structures by 0.00 A. Peak 469 from nnoeabs.peaks (1.68, 8.27, 122.13 ppm; 3.57 A): 3 out of 3 assignments used, quality = 0.98: * HB3 LYS 13 + H LYS 13 OK 95 100 100 95 2.2-3.8 3.9=78, 3.0/470=42...(6) HD3 LYS 13 + H LYS 13 OK 37 90 45 92 2.1-6.1 2.9/470=43, 2.9/471=40...(16) HD2 LYS 13 + H LYS 13 OK 29 90 35 92 2.0-5.7 2.9/470=43, 2.9/471=40...(16) Violated in 0 structures by 0.00 A. Peak 470 from nnoeabs.peaks (1.42, 8.27, 122.13 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.98: * HG2 LYS 13 + H LYS 13 OK 98 100 100 98 2.0-4.3 4.9=69, 3.0/469=45...(13) QB ALA 30 - H LYS 13 far 0 78 0 - 9.1-24.0 HB3 LEU 43 - H LYS 13 far 0 93 0 - 9.2-37.2 HG3 LYS 39 - H LYS 13 far 0 85 0 - 9.6-32.1 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 3 assignments used, quality = 0.99: * HG3 LYS 13 + H LYS 13 OK 99 100 100 99 2.0-4.5 4.9=76, 3.0/469=47...(14) QB ALA 30 - H LYS 13 far 0 97 0 - 9.1-24.0 HB3 LEU 43 - H LYS 13 far 0 85 0 - 9.2-37.2 Violated in 0 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 5 assignments used, quality = 1.00: * HA THR 15 + H THR 15 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 39 - H THR 15 far 0 100 0 - 5.9-27.9 HA ALA 77 - H THR 15 far 0 95 0 - 6.5-45.7 HA ALA 12 - H THR 15 far 0 96 0 - 7.4-9.7 HA GLU 19 - H THR 15 far 0 97 0 - 8.5-15.7 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 2.7-3.9 4.0=100 HA LEU 29 - H THR 15 far 0 99 0 - 7.9-22.2 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 1 assignment used, quality = 1.00: * QG2 THR 15 + H THR 15 OK 100 100 100 100 2.0-4.0 3.9=100 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 2.3-2.9 2.9=100 HA PRO 34 - H ALA 16 far 0 99 0 - 6.5-24.7 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 6 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.1-2.9 2.9=100 QB ALA 78 - H ALA 16 far 0 63 0 - 4.9-38.7 QB ALA 20 - H ALA 16 far 0 87 0 - 6.1-14.3 QB ALA 77 - H ALA 16 far 0 90 0 - 7.5-36.0 QB ALA 28 - H ALA 16 far 0 81 0 - 7.6-16.7 QB ALA 12 - H ALA 16 far 0 65 0 - 8.0-11.2 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 - 6.1-8.9 HA ALA 20 - H ARG 17 far 0 89 0 - 7.4-12.1 HA LYS 39 - H ARG 17 far 0 63 0 - 8.3-21.8 HA ASP 38 - H ARG 17 far 0 100 0 - 9.1-22.0 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 2 assignments used, quality = 1.00: * HB2 ARG 17 + H ARG 17 OK 100 100 100 100 2.3-4.0 4.0=100 HB2 LYS 39 - H ARG 17 far 0 92 0 - 7.1-19.1 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 2.4-3.9 4.0=100 HB2 LEU 29 - H ARG 17 far 3 65 5 - 4.9-20.5 HB3 LYS 32 - H ARG 17 far 3 57 5 - 4.8-26.1 HB2 LYS 32 - H ARG 17 far 0 57 0 - 6.4-26.4 HB ILE 33 - H ARG 17 far 0 71 0 - 6.4-21.5 HG2 PRO 34 - H ARG 17 far 0 90 0 - 9.3-27.3 HG3 ARG 26 - H ARG 17 far 0 100 0 - 9.6-17.8 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 5 assignments used, quality = 1.00: * HG2 ARG 17 + H ARG 17 OK 98 100 100 98 2.7-4.8 5.0=75, 1150/3.0=39...(13) HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.1-4.7 5.0=75, 1151/3.0=39...(13) HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.7-25.6 HD2 LYS 32 - H ARG 17 far 0 99 0 - 8.4-27.1 HG2 ARG 26 - H ARG 17 far 0 100 0 - 8.6-18.3 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 5 assignments used, quality = 1.00: * HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.1-4.7 5.0=75, 1151/3.0=39...(13) HG2 ARG 17 + H ARG 17 OK 98 100 100 98 2.7-4.8 5.0=75, 1150/3.0=39...(13) HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.7-25.6 HD2 LYS 32 - H ARG 17 far 0 98 0 - 8.4-27.1 HG2 ARG 26 - H ARG 17 far 0 100 0 - 8.6-18.3 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 7 assignments used, quality = 1.00: * HA GLU 19 + H GLU 19 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 20 - H GLU 19 poor 13 100 25 51 4.6-5.5 1219/3.9=17, ~27=14...(6) HA ARG 17 - H GLU 19 far 8 81 10 - 3.4-7.0 HA ALA 77 - H GLU 19 far 0 73 0 - 5.4-35.3 HA ASP 38 - H GLU 19 far 0 78 0 - 7.6-17.5 HA LYS 39 - H GLU 19 far 0 99 0 - 8.0-20.0 HA THR 15 - H GLU 19 far 0 97 0 - 9.7-13.4 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 2.2-3.9 3.9=96, 3.0/496=26...(7) HB3 ARG 26 - H GLU 19 far 0 60 0 - 7.9-17.6 HG12 ILE 40 - H GLU 19 far 0 100 0 - 8.0-17.6 HB VAL 41 - H GLU 19 far 0 83 0 - 9.1-20.8 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 4 assignments used, quality = 1.00: * HB3 GLU 19 + H GLU 19 OK 100 100 100 100 2.5-3.8 3.9=100 HB2 GLU 25 - H GLU 19 far 5 92 5 - 3.3-12.1 HB3 GLU 25 - H GLU 19 far 5 90 5 - 4.7-11.5 HB VAL 76 - H GLU 19 far 0 99 0 - 9.5-33.4 Violated in 0 structures by 0.00 A. Peak 495 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.6-5.0 3.0/493=68, 4.9=66...(10) * HG2 GLU 19 + H GLU 19 OK 98 100 100 98 2.1-4.9 3.0/493=68, 4.9=66...(9) HG2 GLU 25 - H GLU 19 far 0 63 0 - 6.0-11.3 Violated in 2 structures by 0.00 A. Peak 496 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.6-5.0 3.0/493=68, 4.9=66...(10) HG2 GLU 19 + H GLU 19 OK 98 100 100 98 2.1-4.9 3.0/493=68, 4.9=66...(9) HG2 GLU 25 - H GLU 19 far 0 63 0 - 6.0-11.3 Violated in 2 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 8 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 92 100 100 92 2.1-3.6 3.6=80, 3.0/29=33...(7) HA ASP 38 - H ALA 20 far 4 87 5 - 4.2-16.5 HA ARG 17 - H ALA 20 far 0 89 0 - 4.7-10.1 HA ALA 77 - H ALA 20 far 0 63 0 - 4.9-32.0 HA LYS 39 - H ALA 20 far 0 97 0 - 8.4-20.1 HA LYS 75 - H ALA 20 far 0 89 0 - 8.9-29.4 HA THR 15 - H ALA 20 far 0 92 0 - 9.2-17.0 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 6 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 77 - H ALA 20 far 5 100 5 - 2.5-26.5 QB ALA 16 - H ALA 20 far 0 87 0 - 4.6-11.1 QB ALA 78 - H ALA 20 far 0 97 0 - 5.2-29.1 HG3 LYS 75 - H ALA 20 far 0 96 0 - 7.5-31.3 HG2 LYS 75 - H ALA 20 far 0 96 0 - 8.9-30.6 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 8 assignments used, quality = 1.00: * HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.6-3.0 2.9=100 HA2 GLY 72 - H GLY 21 far 0 97 0 - 6.5-17.6 HA THR 37 - H GLY 21 far 0 90 0 - 6.6-15.4 HA3 GLY 18 - H GLY 21 far 0 76 0 - 7.0-10.0 HA2 GLY 18 - H GLY 21 far 0 73 0 - 7.0-10.3 HA VAL 76 - H GLY 21 far 0 90 0 - 8.5-29.0 HA ALA 28 - H GLY 21 far 0 99 0 - 9.3-14.1 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 8 assignments used, quality = 1.00: HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 * HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.6-3.0 2.9=100 HA2 GLY 72 - H GLY 21 far 0 96 0 - 6.5-17.6 HA THR 37 - H GLY 21 far 0 92 0 - 6.6-15.4 HA3 GLY 18 - H GLY 21 far 0 78 0 - 7.0-10.0 HA2 GLY 18 - H GLY 21 far 0 76 0 - 7.0-10.3 HA VAL 76 - H GLY 21 far 0 89 0 - 8.5-29.0 HA ALA 28 - H GLY 21 far 0 99 0 - 9.3-14.1 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 2.4-3.9 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 2.1-3.8 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 - 8.2-10.1 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 2.1-3.6 4.0=100 HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.4-3.6 4.0=100 HB3 ARG 71 - H ARG 23 far 10 99 10 - 4.7-11.7 HB2 ARG 71 - H ARG 23 far 0 99 0 - 6.0-12.0 HB2 ARG 27 - H ARG 23 far 0 99 0 - 6.2-8.9 HB3 ARG 27 - H ARG 23 far 0 99 0 - 7.7-10.2 HB2 LYS 75 - H ARG 23 far 0 100 0 - 8.9-22.5 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 2.1-3.6 4.0=100 * HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.4-3.6 4.0=100 HB3 ARG 71 - H ARG 23 far 10 99 10 - 4.7-11.7 HB2 ARG 71 - H ARG 23 far 0 100 0 - 6.0-12.0 HB2 ARG 27 - H ARG 23 far 0 100 0 - 6.2-8.9 HB3 ARG 27 - H ARG 23 far 0 99 0 - 7.7-10.2 HB2 LYS 75 - H ARG 23 far 0 100 0 - 8.9-22.5 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 1.9-4.5 4.9=100 HD3 LYS 75 - H ARG 23 far 0 99 0 - 9.2-24.7 HG LEU 29 - H ARG 23 far 0 100 0 - 9.3-11.5 HD2 LYS 75 - H ARG 23 far 0 99 0 - 9.9-24.6 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 2 assignments used, quality = 1.00: * HA ASP 24 + H ASP 24 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASP 67 - H ASP 24 far 0 97 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 517 from nnoeabs.peaks (2.56, 8.34, 120.23 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.80: * HB2 ASP 24 + H ASP 24 OK 80 100 100 80 2.8-3.6 4.0=67, 52/50=33...(4) Violated in 11 structures by 0.03 A. Peak 518 from nnoeabs.peaks (2.59, 8.34, 120.23 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.80: * HB3 ASP 24 + H ASP 24 OK 80 100 100 80 2.1-2.8 4.0=65, 53/50=32...(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 4 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 - 5.1-5.5 HA ARG 27 - H GLU 25 far 0 65 0 - 6.5-7.4 HA ARG 71 - H GLU 25 far 0 95 0 - 7.8-13.5 Violated in 0 structures by 0.00 A. Peak 521 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 25 + H GLU 25 OK 96 100 100 96 2.1-3.6 4.0=50, 3.0/523=37...(16) HB3 GLU 25 + H GLU 25 OK 95 100 100 95 2.3-3.6 4.0=50, 3.0/523=37...(14) HB3 GLU 19 - H GLU 25 far 0 92 0 - 7.1-12.3 Violated in 0 structures by 0.00 A. Peak 522 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLU 25 + H GLU 25 OK 96 100 100 96 2.1-3.6 4.0=50, 3.0/523=37...(16) * HB3 GLU 25 + H GLU 25 OK 95 100 100 95 2.3-3.6 4.0=50, 3.0/523=37...(14) HB3 GLU 19 - H GLU 25 far 0 90 0 - 7.1-12.3 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 2.0-3.7 1.8/524=71, 1332/2.9=66...(13) HG2 GLU 19 - H GLU 25 far 0 63 0 - 7.6-14.2 HG3 GLU 19 - H GLU 25 far 0 63 0 - 8.3-14.1 Violated in 0 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 2.5-4.1 1.8/523=80, 1333/2.9=66...(11) 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 4 assignments used, quality = 1.00: * HA ARG 26 + H ARG 26 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 25 + H ARG 26 OK 80 83 100 97 3.4-3.6 3.6=80, 2.9/904=43...(9) HA ARG 71 - H ASN 74 poor 11 56 20 - 3.5-8.0 HA ARG 71 - H ARG 26 far 0 99 0 - 9.4-15.9 Violated in 0 structures by 0.00 A. Peak 527 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 26 + H ARG 26 OK 95 100 100 95 2.3-3.6 3.9=48, 3.0/530=33...(23) HB3 ARG 26 + H ARG 26 OK 94 100 100 94 2.4-3.6 3.9=48, 3.0/530=33...(19) HB2 ARG 27 - H ARG 26 far 0 65 0 - 4.5-5.2 HB2 ARG 71 - H ASN 74 far 0 31 0 - 5.4-9.5 HB3 ARG 71 - H ASN 74 far 0 33 0 - 5.5-9.7 HB3 ARG 27 - H ARG 26 far 0 68 0 - 5.5-6.3 HB3 ARG 71 - H ARG 26 far 0 68 0 - 7.0-13.6 HB2 ARG 71 - H ARG 26 far 0 65 0 - 7.5-13.0 HB ILE 68 - H ASN 74 far 0 46 0 - 8.6-12.0 HB ILE 68 - H ARG 26 far 0 89 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 528 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 2 out of 11 assignments used, quality = 1.00: HB2 ARG 26 + H ARG 26 OK 95 100 100 95 2.3-3.6 3.9=48, 3.0/530=33...(23) * HB3 ARG 26 + H ARG 26 OK 94 100 100 94 2.4-3.6 3.9=48, 3.0/530=33...(19) HB2 ARG 27 - H ARG 26 far 0 63 0 - 4.5-5.2 HB2 ARG 71 - H ASN 74 far 0 30 0 - 5.4-9.5 HB3 ARG 71 - H ASN 74 far 0 31 0 - 5.5-9.7 HB3 ARG 27 - H ARG 26 far 0 65 0 - 5.5-6.3 HB3 ARG 71 - H ARG 26 far 0 65 0 - 7.0-13.6 HB2 GLU 19 - H ARG 26 far 0 60 0 - 7.4-12.9 HB2 ARG 71 - H ARG 26 far 0 63 0 - 7.5-13.0 HB ILE 68 - H ASN 74 far 0 47 0 - 8.6-12.0 HB ILE 68 - H ARG 26 far 0 90 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (1.62, 8.13, 119.29 ppm; 3.87 A): 1 out of 9 assignments used, quality = 0.99: * HG2 ARG 26 + H ARG 26 OK 99 100 100 99 2.4-3.4 1.8/530=67, 4.9=49...(23) HG3 ARG 27 - H ARG 26 poor 19 97 20 - 3.9-7.2 HD3 LYS 73 - H ASN 74 poor 18 53 35 - 3.0-6.8 HD2 LYS 73 - H ASN 74 poor 16 53 30 - 2.8-6.4 HG2 ARG 27 - H ARG 26 poor 15 97 25 64 4.0-7.3 5.0/5380=39, 3.8/5341=14...(8) HG3 ARG 70 - H ASN 74 far 0 55 0 - 5.3-11.1 HG2 ARG 71 - H ASN 74 far 0 58 0 - 5.4-10.1 HG2 ARG 71 - H ARG 26 far 0 100 0 - 6.6-15.0 HG2 ARG 17 - H ARG 26 far 0 100 0 - 9.6-18.0 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 6 assignments used, quality = 0.99: * HG3 ARG 26 + H ARG 26 OK 99 100 100 99 2.0-3.5 1390=60, 1.8/529=54...(20) HB3 LYS 73 + H ASN 74 OK 24 28 100 84 2.1-4.1 4.3=55, 4.0/944=27...(8) HG3 ARG 71 - H ASN 74 far 0 58 0 - 6.5-10.8 HG3 ARG 71 - H ARG 26 far 0 100 0 - 8.3-13.8 HB ILE 33 - H ARG 26 far 0 83 0 - 8.8-10.5 HB3 ARG 17 - H ARG 26 far 0 100 0 - 10.0-17.2 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 9 assignments used, quality = 1.00: * HD3 ARG 26 + H ARG 26 OK 100 100 100 100 3.9-5.0 3.0/1390=76, 3.0/529=70...(21) HD2 ARG 26 + H ARG 26 OK 100 100 100 100 4.4-5.2 3.0/1390=76, 3.0/529=70...(20) HD3 ARG 27 - H ARG 26 poor 20 99 20 - 5.2-8.3 HD3 ARG 23 - H ARG 26 far 10 97 10 - 5.1-8.7 HD3 ARG 70 - H ASN 74 far 1 28 5 - 5.2-10.8 HD2 ARG 27 - H ARG 26 far 0 99 0 - 5.9-7.8 HD2 ARG 23 - H ARG 26 far 0 97 0 - 6.0-8.4 HD3 ARG 71 - H ASN 74 far 0 34 0 - 6.7-11.9 HD3 ARG 71 - H ARG 26 far 0 71 0 - 7.6-15.3 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): 2 out of 4 assignments used, quality = 1.00: * HA ARG 27 + H ARG 27 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 25 + H ARG 27 OK 48 65 95 77 3.7-4.9 3.6/5380=47, 1414=22...(8) HA ARG 23 - H ARG 27 far 5 97 5 - 4.1-6.0 HA ALA 30 - H ARG 27 far 0 83 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 535 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 27 + H ARG 27 OK 90 100 100 90 2.1-2.7 4.1=41, 1.8/1422=18...(20) HB3 ARG 27 + H ARG 27 OK 90 100 100 90 2.9-3.6 4.1=41, 1.8/1422=18...(20) HB2 ARG 26 + H ARG 27 OK 49 65 95 78 2.3-4.1 3.9/5380=34, 4.6=28...(10) HB3 ARG 26 - H ARG 27 poor 19 63 30 - 3.1-4.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 4.9-7.6 HB3 ARG 23 - H ARG 27 far 0 100 0 - 5.3-7.5 HB3 ARG 71 - H ARG 27 far 0 100 0 - 7.8-12.3 HB2 ARG 71 - H ARG 27 far 0 100 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 3 out of 8 assignments used, quality = 1.00: HB2 ARG 27 + H ARG 27 OK 90 100 100 90 2.1-2.7 4.1=41, 1.8/1422=18...(20) * HB3 ARG 27 + H ARG 27 OK 90 100 100 90 2.9-3.6 4.1=41, 1.8/1422=18...(20) HB2 ARG 26 + H ARG 27 OK 51 68 95 79 2.3-4.1 3.9/5380=34, 4.6=28...(10) HB3 ARG 26 - H ARG 27 poor 20 65 30 - 3.1-4.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 4.9-7.6 HB3 ARG 23 - H ARG 27 far 0 99 0 - 5.3-7.5 HB3 ARG 71 - H ARG 27 far 0 100 0 - 7.8-12.3 HB2 ARG 71 - H ARG 27 far 0 100 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 537 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 3.87 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 27 + H ARG 27 OK 99 100 100 99 1.9-4.6 5.0=47, 1419/3.0=30...(27) HG3 ARG 27 + H ARG 27 OK 99 100 100 99 2.0-4.5 5.0=47, 1419/3.0=30...(27) HG2 ARG 26 + H ARG 27 OK 36 97 40 94 3.8-5.1 1.8/65=53, 529/5380=46...(10) HG2 ARG 71 - H ARG 27 far 0 96 0 - 6.5-13.2 HB3 GLN 61 - H ARG 27 far 0 63 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 538 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 3.87 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 27 + H ARG 27 OK 99 100 100 99 1.9-4.6 5.0=47, 1419/3.0=30...(27) * HG3 ARG 27 + H ARG 27 OK 99 100 100 99 2.0-4.5 5.0=47, 1419/3.0=30...(27) HG2 ARG 26 + H ARG 27 OK 36 97 40 93 3.8-5.1 1.8/65=53, 529/5380=45...(10) HG2 ARG 71 - H ARG 27 far 0 95 0 - 6.5-13.2 HB3 GLN 61 - H ARG 27 far 0 65 0 - 9.9-12.3 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 10 assignments used, quality = 1.00: * HA ALA 28 + H ALA 28 OK 100 100 100 100 2.8-2.9 3.0=100 HA THR 37 - H ALA 28 far 0 78 0 - 5.6-7.9 HA2 GLY 18 - H ALA 28 far 0 57 0 - 6.4-18.0 HA3 GLY 18 - H ALA 28 far 0 60 0 - 6.7-17.7 HA LYS 32 - H ALA 28 far 0 85 0 - 6.8-8.7 HA3 GLY 21 - H ALA 28 far 0 99 0 - 7.9-11.4 HA GLN 61 - H ALA 28 far 0 99 0 - 8.4-10.0 HA2 GLY 21 - H ALA 28 far 0 99 0 - 8.5-11.6 HA ARG 66 - H ARG 84 far 0 67 0 - 9.0-30.7 HA2 GLY 72 - H ALA 28 far 0 100 0 - 9.6-13.9 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 3 assignments used, quality = 1.00: * QB ALA 28 + H ALA 28 OK 100 100 100 100 2.0-2.3 2.9=100 QB ALA 16 - H ALA 28 far 0 81 0 - 7.0-17.2 HG3 LYS 32 - H ALA 28 far 0 97 0 - 8.6-10.2 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 2.8-2.9 3.0=100 HA ALA 30 - H LEU 29 far 0 71 0 - 5.1-5.3 HB THR 15 - H LEU 29 far 0 99 0 - 8.1-22.1 Violated in 0 structures by 0.00 A. Peak 546 from nnoeabs.peaks (1.72, 7.95, 119.22 ppm; 2.89 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 29 + H LEU 29 OK 99 100 100 99 2.3-3.5 1483=62, 1.8/547=55...(13) HB3 LEU 64 - H LEU 29 far 0 85 0 - 7.7-9.7 HB3 ARG 17 - H LEU 29 far 0 65 0 - 8.1-19.2 Violated in 15 structures by 0.41 A. Peak 547 from nnoeabs.peaks (1.58, 7.95, 119.22 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + H LEU 29 OK 100 100 100 100 2.9-3.6 1.8/546=81, 1500/548=63...(13) Violated in 10 structures by 0.08 A. Peak 548 from nnoeabs.peaks (1.67, 7.95, 119.22 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 29 + H LEU 29 OK 99 100 100 99 1.7-2.9 1497=52, 1499/1483=48...(12) HB3 LEU 64 - H LEU 29 far 0 76 0 - 7.7-9.7 HG2 ARG 23 - H LEU 29 far 0 100 0 - 8.9-12.0 HB3 GLN 61 - H LEU 29 far 0 92 0 - 8.9-11.2 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 3.5-4.1 2.1/548=89, 1506/546=76...(12) Violated in 5 structures by 0.03 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 2.1-3.3 2.1/548=90, 3.1/546=75...(18) QD2 LEU 64 - H LEU 29 far 5 100 5 - 4.6-5.8 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): 3 out of 4 assignments used, quality = 1.00: * HA ALA 30 + H ALA 30 OK 100 100 100 100 2.7-2.9 3.0=100 HA LEU 29 + H ALA 30 OK 70 71 100 99 3.5-3.6 3.6=67, 3.0/908=60...(13) HA ARG 27 + H ALA 30 OK 62 83 90 83 3.2-4.0 4807/553=38, 3.6/5538=23...(11) HA ARG 23 - H ALA 30 far 0 98 0 - 8.0-10.4 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 3 assignments used, quality = 0.99: * QB ALA 30 + H ALA 30 OK 99 100 100 99 2.2-2.2 2.9=99 HG12 ILE 33 - H ALA 30 far 0 100 0 - 5.4-6.6 HG3 LYS 13 - H ALA 30 far 0 97 0 - 9.5-27.5 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 3 assignments used, quality = 0.99: * HB2 MET 31 + H MET 31 OK 99 100 100 99 2.3-3.6 1530=69, 1.8/557=58...(17) HB2 GLU 19 - H MET 31 far 0 68 0 - 8.1-18.9 HG13 ILE 68 - H MET 31 far 0 96 0 - 8.7-10.4 Violated in 1 structures by 0.01 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 2.3-3.7 1.8/556=86, 4.0=86...(15) HB3 GLU 25 - H MET 31 far 0 90 0 - 8.3-10.1 HB2 GLU 25 - H MET 31 far 0 89 0 - 8.8-9.9 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 2.7-4.0 1542=100, 1.8/559=79...(18) HG2 GLN 61 - H MET 31 far 0 73 0 - 7.1-9.6 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 2.4-4.0 1548=91, 1.8/1542=74...(17) HB2 GLN 61 - H MET 31 far 0 100 0 - 8.1-10.5 Violated in 1 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 4 85 5 - 3.9-5.4 HA GLN 61 - H LYS 32 far 0 96 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 562 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 32 + H LYS 32 OK 99 100 100 99 3.2-3.8 4.0=71, 2.9/565=53...(16) HB3 LYS 32 + H LYS 32 OK 98 100 100 98 4.0-4.1 4.0=71, 2.9/565=53...(14) HB ILE 33 - H LYS 32 far 0 100 0 - 4.8-5.5 HB2 LYS 13 - H LYS 32 far 0 90 0 - 5.7-24.0 HB3 ARG 17 - H LYS 32 far 0 57 0 - 8.0-23.5 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.5-9.3 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.8-10.2 HG3 ARG 26 - H LYS 32 far 0 71 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 32 + H LYS 32 OK 99 100 100 99 3.2-3.8 4.0=71, 2.9/565=53...(16) * HB3 LYS 32 + H LYS 32 OK 98 100 100 98 4.0-4.1 4.0=71, 2.9/565=53...(14) HB ILE 33 - H LYS 32 far 0 100 0 - 4.8-5.5 HB2 LYS 13 - H LYS 32 far 0 90 0 - 5.7-24.0 HB3 ARG 17 - H LYS 32 far 0 57 0 - 8.0-23.5 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.5-9.3 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.8-10.2 HG3 ARG 26 - H LYS 32 far 0 71 0 - 8.8-11.9 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 2.6-4.0 1584=83, 1.8/565=81...(16) QG2 THR 58 - H LYS 32 far 0 60 0 - 7.3-11.4 Violated in 2 structures by 0.00 A. Peak 565 from nnoeabs.peaks (1.33, 7.94, 118.73 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.99: * HG3 LYS 32 + H LYS 32 OK 99 100 100 99 3.3-4.0 1.8/564=67, 1594=66...(16) QB ALA 28 - H LYS 32 far 0 97 0 - 4.6-5.6 QG2 THR 58 - H LYS 32 far 0 90 0 - 7.3-11.4 QB ALA 12 - H LYS 32 far 0 100 0 - 8.8-24.7 Violated in 13 structures by 0.10 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 2.7-2.9 3.0=100 HD2 PRO 36 - H ILE 33 far 0 89 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.99: * HB ILE 33 + H ILE 33 OK 98 100 100 98 2.5-2.6 1651=70, 3.0/574=43...(12) HB2 LYS 32 + H ILE 33 OK 29 100 35 84 3.8-4.7 3.0/3776=49, 4.3=38...(8) HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.0-4.5 HG2 PRO 34 - H ILE 33 far 0 98 0 - 6.7-7.0 HB2 PRO 34 - H ILE 33 far 0 97 0 - 6.7-7.6 HB2 LYS 13 - H ILE 33 far 0 81 0 - 7.1-24.8 HB3 ARG 17 - H ILE 33 far 0 71 0 - 7.5-22.9 HB2 LEU 57 - H ILE 33 far 0 100 0 - 9.4-10.9 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, 2.1/1651=81...(11) 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 1.9-2.6 1665=76, 1.8/575=66...(14) QB ALA 30 - H ILE 33 far 0 100 0 - 5.6-7.3 HB3 LEU 57 - H ILE 33 far 0 73 0 - 8.0-9.8 HG3 LYS 13 - H ILE 33 far 0 96 0 - 9.0-27.3 HG2 LYS 13 - H ILE 33 far 0 81 0 - 9.0-26.9 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 3.5-3.8 1672=86, 1.8/574=80...(9) QG2 VAL 65 - H ILE 33 far 0 99 0 - 5.7-7.1 QG2 THR 15 - H ILE 33 far 0 63 0 - 6.6-20.4 QG1 VAL 65 - H ILE 33 far 0 95 0 - 7.6-9.4 HG13 ILE 40 - H ILE 33 far 0 96 0 - 8.9-9.9 Violated in 7 structures by 0.04 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 3.1-3.8 1679=100, 2.1/574=83...(13) QD2 LEU 57 - H ILE 33 far 10 100 10 - 4.8-6.0 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 2.8-2.8 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 4.0-4.1 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 3.6-3.7 4.0=100 HB3 TYR 55 - H PHE 35 far 0 63 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (6.94, 6.31, 116.43 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 35 + H PHE 35 OK 100 100 100 100 4.6-4.7 2.2/582=92, 4583/4248=76...(15) HZ PHE 35 - H PHE 35 far 5 100 5 - 5.8-5.9 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 3.4-3.5 4600=83, 2.2/581=49...(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 HA3 GLY 18 - H THR 37 far 0 99 0 - 5.3-15.3 HA2 GLY 18 - H THR 37 far 0 99 0 - 5.5-14.8 HA ALA 28 - H THR 37 far 0 78 0 - 5.6-7.5 HA3 GLY 21 - H THR 37 far 0 92 0 - 7.8-13.0 HA2 GLY 21 - H THR 37 far 0 90 0 - 7.8-13.2 HA2 GLY 72 - H THR 37 far 0 65 0 - 8.3-11.6 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 2.5-3.6 3.8=100 HA LYS 39 - H THR 37 far 0 65 0 - 6.7-7.2 HA GLN 79 - H THR 37 far 0 68 0 - 7.0-33.5 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 = 0.95: * QG2 THR 37 + H THR 37 OK 95 100 100 95 1.8-2.2 1816=84, 4.1/119=42...(4) QG2 THR 15 - H THR 37 far 0 83 0 - 7.7-18.9 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 2.7-2.8 3.0=100 HA ALA 20 - H ASP 38 far 4 87 5 - 2.8-15.6 HA GLU 19 - H ASP 38 far 0 78 0 - 4.6-17.4 HA LYS 39 - H ASP 38 far 0 60 0 - 5.3-5.5 HA ARG 17 - H ASP 38 far 0 100 0 - 7.1-16.7 Violated in 0 structures by 0.00 A. Peak 589 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.06 A): 2 out of 2 assignments used, quality = 0.98: HB3 ASP 38 + H ASP 38 OK 85 100 100 85 2.2-3.6 4.0=46, 1823/3.0=25...(10) * HB2 ASP 38 + H ASP 38 OK 85 100 100 85 2.2-3.6 4.0=46, 1822/3.0=25...(11) Violated in 0 structures by 0.00 A. Peak 590 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.06 A): 2 out of 2 assignments used, quality = 0.98: * HB3 ASP 38 + H ASP 38 OK 85 100 100 85 2.2-3.6 4.0=46, 1823/3.0=25...(10) HB2 ASP 38 + H ASP 38 OK 85 100 100 85 2.2-3.6 4.0=46, 1822/3.0=25...(11) 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 7 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.7-2.9 3.0=100 HA ASP 38 + H LYS 39 OK 60 60 100 100 3.4-3.6 3.6=99, 3.0/913=55...(7) HA ALA 20 - H LYS 39 far 0 97 0 - 5.1-18.3 HB THR 37 - H LYS 39 far 0 65 0 - 5.4-6.4 HA GLU 19 - H LYS 39 far 0 99 0 - 6.9-20.0 HA ARG 17 - H LYS 39 far 0 63 0 - 7.5-17.8 HA THR 15 - H LYS 39 far 0 100 0 - 7.7-23.4 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 4 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-2.4 4.0=66, 1.8/594=64...(15) HB2 ARG 71 - H LYS 39 far 0 100 0 - 8.7-13.4 HB2 ARG 17 - H LYS 39 far 0 92 0 - 8.8-20.2 HB3 ARG 71 - H LYS 39 far 0 100 0 - 9.5-14.5 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 3.0-3.6 4.0=85, 1.8/593=82...(15) HB ILE 33 - H LYS 39 far 0 93 0 - 8.3-9.4 HB2 ARG 69 - H LYS 39 far 0 83 0 - 9.2-11.7 HB2 LYS 13 - H LYS 39 far 0 99 0 - 9.6-28.9 Violated in 0 structures by 0.00 A. Peak 595 from nnoeabs.peaks (1.55, 7.39, 117.25 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.9-4.2 1.8/596=73, 2.9/593=66...(20) Violated in 5 structures by 0.04 A. Peak 596 from nnoeabs.peaks (1.40, 7.39, 117.25 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 2.7-4.4 1.8/595=77, 1837/3.0=70...(17) QB ALA 20 - H LYS 39 far 0 65 0 - 5.5-16.4 HG3 ARG 69 - H LYS 39 far 0 63 0 - 8.3-12.2 HB3 ARG 69 - H LYS 39 far 0 97 0 - 8.6-11.5 QB ALA 78 - H LYS 39 far 0 89 0 - 9.0-23.1 QB ALA 77 - H LYS 39 far 0 60 0 - 9.3-21.7 Violated in 14 structures by 0.09 A. Peak 597 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.90: HD3 LYS 39 + H LYS 39 OK 90 100 90 100 2.6-5.1 3.0/596=58, 3.5/593=57...(23) ! HD2 LYS 39 - H LYS 39 poor 20 100 20 100 2.9-5.7 3.0/596=58, 3.5/593=57...(22) HB3 LEU 51 - H LYS 39 far 0 90 0 - 8.1-10.3 Violated in 18 structures by 0.51 A. Peak 598 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.90: * HD3 LYS 39 + H LYS 39 OK 90 100 90 100 2.6-5.1 3.0/596=58, 3.5/593=57...(23) HD2 LYS 39 - H LYS 39 poor 20 100 20 - 2.9-5.7 HB3 LEU 51 - H LYS 39 far 0 89 0 - 8.1-10.3 Violated in 18 structures by 0.51 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 4 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 - 5.7-7.2 HA VAL 65 - H ILE 40 far 0 100 0 - 6.8-7.8 HD3 PRO 14 - H ILE 40 far 0 90 0 - 7.7-29.6 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 2.6-2.8 1929=64, 2.9/605=55...(16) HB2 PRO 36 - H ILE 40 far 0 100 0 - 4.8-5.7 HG3 PRO 36 - H ILE 40 far 0 63 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 604 from nnoeabs.peaks (0.93, 7.24, 115.36 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 40 + H ILE 40 OK 100 100 100 100 3.8-3.8 1936=75, 2.1/603=74...(16) QG2 VAL 41 + H ILE 40 OK 87 100 90 96 3.4-4.6 4.0/915=43, 4330=43...(12) QD2 LEU 43 - H ILE 40 far 0 92 0 - 6.0-6.5 HG12 ILE 68 - H ILE 40 far 0 98 0 - 6.6-8.6 QD1 LEU 64 - H ILE 40 far 0 71 0 - 7.0-9.8 QG2 VAL 76 - H ILE 40 far 0 98 0 - 9.8-18.6 Violated in 1 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.90, 7.24, 115.36 ppm; 3.20 A): 1 out of 6 assignments used, quality = 0.99: * HG12 ILE 40 + H ILE 40 OK 99 100 100 99 1.9-3.4 1.8/606=57, 1943=51...(16) HB VAL 41 - H ILE 40 far 0 71 0 - 4.8-5.4 HB ILE 68 - H ILE 40 far 0 99 0 - 5.5-6.8 HG13 ILE 68 - H ILE 40 far 0 85 0 - 7.6-9.2 HB2 GLU 19 - H ILE 40 far 0 100 0 - 7.9-19.4 HB3 PRO 14 - H ILE 40 far 0 87 0 - 8.6-27.7 Violated in 1 structures by 0.01 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 1.8-3.5 1.8/605=84, 2.1/607=65...(16) QG1 VAL 65 - H ILE 40 far 0 100 0 - 4.7-7.4 QG2 VAL 65 - H ILE 40 far 0 85 0 - 5.5-7.6 HG2 ARG 69 - H ILE 40 far 0 98 0 - 6.4-10.5 HG13 ILE 33 - H ILE 40 far 0 96 0 - 8.1-8.7 Violated in 0 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 3.4-3.7 2.1/605=82, 2.1/606=72...(15) HG3 PRO 34 - H ILE 40 far 0 95 0 - 9.7-10.3 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 2.8-2.9 3.0=100 HD3 PRO 36 - H VAL 41 far 0 96 0 - 8.0-9.0 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 6 assignments used, quality = 0.90: * HB VAL 41 + H VAL 41 OK 90 100 100 90 2.6-2.8 3.9=51, 146/916=37...(9) HG12 ILE 40 - H VAL 41 far 7 71 10 - 3.7-4.9 HG13 ILE 68 - H VAL 41 far 0 99 0 - 7.5-9.0 HB2 GLU 19 - H VAL 41 far 0 83 0 - 8.6-20.4 HB2 ARG 70 - H VAL 41 far 0 71 0 - 9.8-11.7 HB3 ARG 70 - H VAL 41 far 0 71 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 611 from nnoeabs.peaks (0.80, 7.63, 114.41 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + H VAL 41 OK 99 100 100 99 3.8-3.8 2.1/610=77, 4.0=67...(11) QG2 ILE 68 + H VAL 41 OK 80 95 95 89 3.2-4.7 4753/139=31, 5249/143=30...(13) QD1 ILE 68 - H VAL 41 far 0 92 0 - 5.7-6.9 Violated in 7 structures by 0.02 A. Peak 612 from nnoeabs.peaks (0.94, 7.63, 114.41 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 41 + H VAL 41 OK 96 100 100 96 1.9-2.5 2.1/610=60, 4.0=42...(16) QG2 ILE 40 + H VAL 41 OK 95 100 100 95 3.1-3.9 2.1/139=48, 5210/3.0=35...(12) QD2 LEU 43 - H VAL 41 far 0 97 0 - 6.2-7.0 HG12 ILE 68 - H VAL 41 far 0 93 0 - 6.5-8.6 QD1 LEU 64 - H VAL 41 far 0 83 0 - 8.0-10.5 QG2 VAL 76 - H VAL 41 far 0 93 0 - 8.1-16.3 QG1 VAL 76 - H VAL 41 far 0 93 0 - 9.3-15.2 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 = 1.00: * HB2 ASN 42 + H ASN 42 OK 94 100 100 94 2.3-2.3 4.1=50, 3.5/5089=32...(11) HB3 ASN 42 + H ASN 42 OK 92 100 100 92 3.5-3.6 4.1=50, 3.5/5089=32...(9) 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 = 1.00: HB2 ASN 42 + H ASN 42 OK 94 100 100 94 2.3-2.3 4.1=50, 3.5/5089=32...(11) * HB3 ASN 42 + H ASN 42 OK 93 100 100 93 3.5-3.6 4.1=50, 3.5/5089=32...(9) 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 3.5-3.8 5088=100, 1.7/5089=93...(10) QE PHE 35 - H ASN 42 far 0 99 0 - 8.2-8.9 HZ PHE 48 - H ASN 42 far 0 97 0 - 9.0-10.7 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 2.7-2.9 3.0=100 HA LYS 13 - H LEU 43 far 0 99 0 - 8.7-34.5 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 2.2-2.5 1.8/622=63, 2009=61...(11) 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 3.5-3.7 1.8/621=80, 3.9=77...(11) Violated in 1 structures by 0.00 A. Peak 623 from nnoeabs.peaks (1.99, 7.52, 120.92 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 43 + H LEU 43 OK 99 100 100 99 2.2-3.2 2.1/625=58, 2.1/624=57...(11) HG3 PRO 14 - H LEU 43 far 0 100 0 - 5.0-33.6 HG2 PRO 14 - H LEU 43 far 0 100 0 - 5.9-32.3 HB3 GLN 79 - H LEU 43 far 0 99 0 - 8.2-29.0 HB2 GLN 79 - H LEU 43 far 0 78 0 - 8.7-28.2 Violated in 0 structures by 0.00 A. Peak 624 from nnoeabs.peaks (0.83, 7.52, 120.92 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + H LEU 43 OK 100 100 100 100 3.7-3.9 2.1/623=76, 2.1/625=70...(13) QG2 ILE 68 - H LEU 43 far 0 81 0 - 6.3-7.6 Violated in 20 structures by 0.10 A. Peak 625 from nnoeabs.peaks (0.94, 7.52, 120.92 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 2.9-4.1 2.1/623=75, 2037=74...(12) QG2 ILE 40 - H LEU 43 far 0 92 0 - 4.8-6.0 QG2 VAL 41 - H LEU 43 far 0 97 0 - 4.9-5.5 QG2 VAL 76 - H LEU 43 far 0 73 0 - 8.8-17.0 QG1 VAL 76 - H LEU 43 far 0 73 0 - 9.5-16.4 Violated in 17 structures by 0.25 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 - 5.4-5.5 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 2.1-2.2 2098=78, 2.1/630=57...(5) HB3 PRO 44 + H VAL 45 OK 67 71 100 95 2.2-2.6 2.3/155=62, 4.2=49...(9) HG2 PRO 44 - H VAL 45 far 9 87 10 - 4.1-4.4 HB2 GLU 50 - H VAL 45 far 0 71 0 - 8.5-9.4 HB VAL 76 - H VAL 45 far 0 81 0 - 8.7-22.2 Violated in 0 structures by 0.00 A. Peak 629 from nnoeabs.peaks (1.07, 8.62, 122.56 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.99: * QG2 VAL 45 + H VAL 45 OK 99 100 100 99 3.5-3.6 4.0=75, 2.1/630=69...(9) 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 = 0.99: * QG1 VAL 45 + H VAL 45 OK 99 100 100 99 2.9-3.0 4.0=72, 2.1/2098=67...(9) 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 3 assignments used, quality = 0.97: * HB2 ASP 46 + H ASP 46 OK 97 100 100 97 2.1-3.4 1.8/634=78, 2117=69...(6) HB2 ASN 80 - H ASP 46 far 0 100 0 - 6.4-30.1 HB3 ASN 49 - H ASP 46 far 0 81 0 - 6.5-7.6 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 2.1-3.2 1.8/633=63, 2121=62...(6) 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 2 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 100 100 2.8-2.9 3.0=100 HA MET 11 - H ASP 47 far 0 97 0 - 7.5-46.3 Violated in 0 structures by 0.00 A. Peak 637 from nnoeabs.peaks (2.67, 7.27, 119.22 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASP 47 + H ASP 47 OK 98 100 100 98 2.1-3.6 1.8/638=74, 4.1=54...(13) HB3 ASN 49 - H ASP 47 far 0 96 0 - 6.3-7.7 Violated in 5 structures by 0.07 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 2.3-3.2 1.8/637=66, 4.1=48...(12) 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): 2 out of 2 assignments used, quality = 1.00: * HA PHE 48 + H PHE 48 OK 100 100 100 100 2.7-2.8 3.0=100 HD2 PRO 44 + H PHE 48 OK 79 99 85 94 3.5-5.2 4387/4460=39...(10) 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 2.3-2.8 1.8/642=72, 4.0=61...(13) 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 2.3-2.8 1.8/641=71, 4.0=60...(11) HB2 ASN 49 - H PHE 48 far 0 92 0 - 4.5-5.0 Violated in 0 structures by 0.00 A. Peak 644 from nnoeabs.peaks (7.07, 8.77, 123.38 ppm; 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=82, 2.5/642=82...(13) Violated in 7 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 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 647 from nnoeabs.peaks (2.90, 8.65, 117.58 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + H ASN 49 OK 97 100 100 97 2.1-2.5 1.8/648=58, 2167=55...(11) HB3 PHE 48 + H ASN 49 OK 86 90 100 95 2.2-4.0 1.8/177=56, 2.5/180=39...(11) Violated in 0 structures by 0.00 A. Peak 648 from nnoeabs.peaks (2.68, 8.65, 117.58 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ASN 49 + H ASN 49 OK 99 100 100 99 3.4-3.6 2173=75, 1.8/2167=63...(7) HB2 ASP 47 - H ASN 49 far 0 96 0 - 4.9-6.4 HB2 ASP 46 - H ASN 49 far 0 81 0 - 5.5-6.2 HB2 ASN 80 - H ASN 49 far 0 71 0 - 9.6-29.4 Violated in 17 structures by 0.04 A. Peak 649 from nnoeabs.peaks (6.86, 8.65, 117.58 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + H ASN 49 OK 100 100 100 100 3.7-4.7 1.7/650=90, 435=84...(7) HE22 GLN 79 - H ASN 49 far 0 100 0 - 7.7-33.6 Violated in 4 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 2.7-4.3 441=73, 3.5/648=66...(7) Violated in 2 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 2 assignments used, quality = 1.00: * HA GLU 50 + H GLU 50 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 66 - H GLU 50 far 0 95 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 653 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 2 out of 6 assignments used, quality = 0.99: * HB2 GLU 50 + H GLU 50 OK 91 100 100 91 2.2-2.3 3.9=38, 3.0/656=32...(12) HB3 GLU 50 + H GLU 50 OK 88 100 100 88 3.5-3.6 3.9=38, 3.0/656=32...(10) HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.4-7.0 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.8-10.9 HB VAL 45 - H GLU 50 far 0 71 0 - 8.0-8.8 HD3 ARG 69 - H GLU 50 far 0 97 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 654 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 2 out of 6 assignments used, quality = 0.99: HB2 GLU 50 + H GLU 50 OK 91 100 100 91 2.2-2.3 3.9=38, 3.0/656=32...(12) * HB3 GLU 50 + H GLU 50 OK 88 100 100 88 3.5-3.6 3.9=38, 3.0/656=32...(10) HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.4-7.0 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.8-10.9 HB VAL 45 - H GLU 50 far 0 71 0 - 8.0-8.8 HD3 ARG 69 - H GLU 50 far 0 97 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 655 from nnoeabs.peaks (2.37, 7.73, 120.91 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 50 + H GLU 50 OK 100 100 100 100 3.8-4.0 2197=89, 1.8/656=77...(7) HB VAL 65 - H GLU 50 far 0 87 0 - 9.5-11.5 Violated in 7 structures by 0.00 A. Peak 656 from nnoeabs.peaks (2.21, 7.73, 120.91 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLU 50 + H GLU 50 OK 99 100 100 99 2.6-3.6 2203=80, 1.8/655=72...(6) HG2 GLU 87 - H GLU 50 far 0 99 0 - 9.7-48.9 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 2.7-2.8 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 51 + H LEU 51 OK 99 100 100 99 2.3-3.1 2216=77, 1.8/660=69...(14) HG2 ARG 54 + H LEU 51 OK 23 92 30 83 3.6-6.3 4570/3.0=24, 2323=15...(14) HB2 LEU 52 - H LEU 51 far 0 93 0 - 6.1-6.5 QB ALA 12 - H LEU 51 far 0 97 0 - 9.5-32.5 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 5 assignments used, quality = 0.99: * HB3 LEU 51 + H LEU 51 OK 99 100 100 99 2.1-2.8 2223=75, 1.8/2216=61...(13) HG3 ARG 54 - H LEU 51 far 0 76 0 - 4.4-6.3 HD2 LYS 39 - H LEU 51 far 0 90 0 - 6.7-9.9 HD3 LYS 39 - H LEU 51 far 0 89 0 - 6.9-10.4 HG3 ARG 84 - H LEU 51 far 0 99 0 - 8.8-40.5 Violated in 0 structures by 0.00 A. Peak 661 from nnoeabs.peaks (0.89, 7.53, 121.73 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + H LEU 51 OK 100 100 100 100 4.2-4.5 3.0/660=78, 3.0/2216=74...(12) QD1 LEU 62 - H LEU 51 far 0 87 0 - 7.5-9.1 Violated in 20 structures by 0.17 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 4.1-4.3 4.5=80, 3.1/660=77...(13) Violated in 3 structures by 0.01 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 3.3-4.3 4.5=83, 2245/3.0=83...(14) Violated in 4 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; 3.31 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 52 + H LEU 52 OK 99 100 100 99 3.6-3.6 1.8/667=70, 3.9=60...(11) HB2 LEU 51 + H LEU 52 OK 72 93 80 97 2.6-4.2 1.8/196=66, 2216/924=42...(9) HG2 ARG 54 - H LEU 52 far 0 60 0 - 4.5-6.9 Violated in 17 structures by 0.06 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 2.4-2.7 2265=69, 3.0/668=54...(13) HB3 LEU 57 - H LEU 52 far 0 100 0 - 7.0-8.0 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 1.9-2.3 2272=63, 2.1/670=50...(12) QG2 VAL 65 - H LEU 52 far 0 89 0 - 5.8-6.5 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 3.3-3.7 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 2.9-3.5 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 3 assignments used, quality = 1.00: * HA ALA 53 + H ALA 53 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 49 - H ALA 53 far 0 71 0 - 4.9-5.7 HA ILE 89 - H ALA 53 far 0 99 0 - 7.5-54.8 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 2.2-2.3 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 - 7.2-7.8 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 6 assignments used, quality = 0.99: * HB2 ARG 54 + H ARG 54 OK 99 100 100 99 2.1-2.6 2307=77, 1.8/2315=53...(17) HB2 LEU 57 - H ARG 54 far 0 100 0 - 5.9-7.3 HG2 PRO 34 - H ARG 54 far 0 99 0 - 7.3-9.6 HB2 PRO 34 - H ARG 54 far 0 93 0 - 7.4-10.9 HB2 LEU 62 - H ARG 54 far 0 85 0 - 9.2-11.4 HB3 LYS 39 - H ARG 54 far 0 89 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 677 from nnoeabs.peaks (1.55, 7.53, 116.98 ppm; 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 54 + H ARG 54 OK 100 100 100 100 3.5-3.6 1.8/676=73, 2315=67...(16) HG3 ARG 54 + H ARG 54 OK 62 63 100 99 2.3-3.7 3.0/676=53, 1.8/678=51...(17) HG LEU 62 - H ARG 54 far 0 87 0 - 6.7-8.9 HG2 LYS 39 - H ARG 54 far 0 100 0 - 9.7-11.7 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 4 assignments used, quality = 1.00: * HG2 ARG 54 + H ARG 54 OK 100 100 100 100 2.2-4.2 3.0/676=73, 2324/3.0=64...(18) HB2 LEU 52 - H ARG 54 far 0 60 0 - 5.1-6.1 HB2 LEU 51 - H ARG 54 far 0 92 0 - 5.2-5.8 QG2 THR 58 - H ARG 54 far 0 99 0 - 9.7-10.6 Violated in 3 structures by 0.02 A. Peak 679 from nnoeabs.peaks (1.58, 7.53, 116.98 ppm; 3.24 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 54 + H ARG 54 OK 99 100 100 99 2.3-3.7 3.0/676=52, 1.8/678=50...(17) HB3 ARG 54 + H ARG 54 OK 62 63 100 99 3.5-3.6 1.8/676=72, 4.1=50...(16) HB3 LEU 51 - H ARG 54 far 0 76 0 - 5.1-5.8 HG LEU 62 - H ARG 54 far 0 97 0 - 6.7-8.9 HD3 LYS 39 - H ARG 54 far 0 99 0 - 8.6-12.6 HD2 LYS 39 - H ARG 54 far 0 99 0 - 9.2-12.7 HB3 LEU 62 - H ARG 54 far 0 96 0 - 9.3-11.6 HG2 LYS 39 - H ARG 54 far 0 63 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 680 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 54 + H ARG 54 OK 100 100 100 100 3.5-5.3 3.6/676=77, 3.0/678=74...(19) * HD2 ARG 54 + H ARG 54 OK 100 100 100 100 3.8-5.4 3.6/676=77, 3.0/678=74...(19) Violated in 1 structures by 0.00 A. Peak 681 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + H ARG 54 OK 100 100 100 100 3.5-5.3 3.6/676=77, 3.0/678=74...(19) HD2 ARG 54 + H ARG 54 OK 100 100 100 100 3.8-5.4 3.6/676=77, 3.0/678=74...(19) Violated in 1 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 2.3-3.0 3.8=62, 1.8/685=62...(15) Violated in 0 structures by 0.00 A. Peak 685 from nnoeabs.peaks (2.94, 7.69, 117.85 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 55 + H TYR 55 OK 100 100 100 100 3.6-3.9 3.8=81, 1.8/684=80...(13) HB3 PHE 35 - H TYR 55 far 0 60 0 - 7.4-8.7 Violated in 20 structures by 0.12 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 2.0-3.4 4627=96, 2.5/684=64...(21) Violated in 1 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 2.7-2.9 3.0=100 HB THR 58 - H LEU 57 far 0 100 0 - 7.1-7.6 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 8 assignments used, quality = 0.98: * HB2 LEU 57 + H LEU 57 OK 98 100 100 98 2.5-2.7 3.8=60, 1.8/691=56...(10) HG2 PRO 34 - H LEU 57 far 5 99 5 - 4.0-5.5 HB2 PRO 34 - H LEU 57 far 0 95 0 - 6.1-7.8 HB2 LEU 62 - H LEU 57 far 0 83 0 - 6.4-7.8 HB2 ARG 54 - H LEU 57 far 0 100 0 - 6.7-8.6 HB2 LYS 32 - H LEU 57 far 0 99 0 - 8.1-11.7 HB3 LYS 32 - H LEU 57 far 0 99 0 - 9.1-11.6 HB ILE 33 - H LEU 57 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 691 from nnoeabs.peaks (1.47, 8.15, 124.80 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.7 3.8=90, 1.8/690=85...(8) HB3 LEU 52 - H LEU 57 far 0 100 0 - 6.5-8.0 HG13 ILE 89 - H LEU 57 far 0 60 0 - 8.7-55.9 HG12 ILE 33 - H LEU 57 far 0 73 0 - 9.5-10.4 QB ALA 63 - H LEU 57 far 0 87 0 - 9.8-10.2 Violated in 1 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 = 0.98: * HG LEU 57 + H LEU 57 OK 98 100 100 98 2.0-2.9 2449=49, 2.1/693=47...(9) HB2 LEU 64 - H LEU 57 far 0 89 0 - 10.0-11.6 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 3.1-3.9 2.1/692=82, 2.1/694=69...(10) QD1 ILE 33 - H LEU 57 far 0 100 0 - 6.3-6.9 Violated in 1 structures by 0.01 A. Peak 694 from nnoeabs.peaks (1.00, 8.15, 124.80 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + H LEU 57 OK 100 100 100 100 3.4-3.9 2.1/692=82, 2.1/693=69...(9) Violated in 5 structures by 0.01 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 2.9-2.9 3.0=100 HA MET 31 - H THR 58 far 0 96 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (4.76, 9.06, 113.20 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.99: HA LEU 57 + H THR 58 OK 92 100 100 92 2.1-2.4 3.6=64, 3.0/228=35...(7) * HB THR 58 + H THR 58 OK 88 100 100 88 3.4-3.8 2.1/2478=58, 4.1=43...(5) 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 5 assignments used, quality = 1.00: * QG2 THR 58 + H THR 58 OK 100 100 100 100 2.1-3.2 2478=100, 2473/3.0=52...(10) HG3 LYS 32 - H THR 58 far 0 90 0 - 7.1-12.5 HB2 LEU 52 - H THR 58 far 0 76 0 - 7.2-8.3 HG2 LYS 32 - H THR 58 far 0 60 0 - 8.5-12.4 QB ALA 28 - H THR 58 far 0 68 0 - 9.9-11.3 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 2.8-2.9 2.9=100 HA ALA 63 - H GLU 59 far 0 89 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 701 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 59 + H GLU 59 OK 95 100 100 95 2.1-3.6 4.0=44, 3.0/703=36...(11) HB3 GLU 59 + H GLU 59 OK 91 100 100 91 2.3-3.5 4.0=44, 3.0/703=36...(9) HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.2-10.2 HB3 MET 31 - H GLU 59 far 0 81 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 702 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 59 + H GLU 59 OK 95 100 100 95 2.1-3.6 4.0=44, 3.0/703=36...(11) * HB3 GLU 59 + H GLU 59 OK 91 100 100 91 2.3-3.5 4.0=44, 3.0/703=36...(9) HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.2-10.2 HB3 MET 31 - H GLU 59 far 0 81 0 - 8.8-12.7 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 2.6-3.9 1.8/704=74, 2500=72...(8) HB VAL 65 - H GLU 59 far 0 97 0 - 9.2-10.5 Violated in 2 structures by 0.00 A. Peak 704 from nnoeabs.peaks (2.32, 9.11, 120.45 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 59 + H GLU 59 OK 100 100 100 100 2.5-4.0 1.8/703=77, 2506=75...(8) Violated in 2 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 2.8-2.9 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 2.1-3.6 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 2.1-3.6 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 - 9.0-10.6 HA LYS 32 - H GLN 61 far 0 96 0 - 9.1-11.9 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 2.2-2.7 4.0=71, 1.8/712=62...(13) HG3 MET 31 - H GLN 61 far 0 100 0 - 6.2-9.0 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 3 assignments 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) HG3 ARG 27 - H GLN 61 far 0 65 0 - 9.3-13.5 HG2 ARG 27 - H GLN 61 far 0 63 0 - 9.4-13.7 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 = 1.00: * HG2 GLN 61 + H GLN 61 OK 100 100 100 100 2.0-3.6 1.8/714=61, 3.0/711=56...(16) HG2 MET 31 - H GLN 61 far 0 73 0 - 6.0-9.3 Violated in 1 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 2.1-4.0 1.8/713=86, 3.0/711=68...(15) Violated in 1 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 2.1-2.1 2571=68, 1.8/2578=53...(18) HB2 LEU 57 - H LEU 62 far 0 83 0 - 4.3-4.9 HG2 PRO 34 - H LEU 62 far 0 95 0 - 8.1-9.0 HB2 LYS 32 - H LEU 62 far 0 65 0 - 8.4-11.5 HB ILE 33 - H LEU 62 far 0 78 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.59, 8.82, 120.20 ppm; 3.19 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 100 100 100 100 3.0-3.4 1.8/719=71, 2578=63...(17) HG LEU 62 + H LEU 62 OK 78 78 100 99 3.5-4.1 3.0/719=51, 3.0/2578=42...(15) HB3 LEU 86 - H LEU 62 far 0 71 0 - 8.8-41.2 HD2 LYS 32 - H LEU 62 far 0 78 0 - 9.2-14.0 HG LEU 86 - H LEU 62 far 0 97 0 - 9.4-42.7 HD3 LYS 32 - H LEU 62 far 0 73 0 - 9.6-14.4 HB3 LEU 51 - H LEU 62 far 0 97 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 721 from nnoeabs.peaks (1.57, 8.82, 120.20 ppm; 3.10 A): 2 out of 4 assignments used, quality = 0.94: HB3 LEU 62 + H LEU 62 OK 78 78 100 99 3.0-3.4 1.8/719=68, 4.0=47...(17) * HG LEU 62 + H LEU 62 OK 74 100 75 99 3.5-4.1 3.0/719=48, 2585=46...(15) HG LEU 64 - H LEU 62 far 0 68 0 - 5.3-8.0 HB3 LEU 86 - H LEU 62 far 0 100 0 - 8.8-41.2 Violated in 6 structures by 0.01 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 4.4-4.4 3.1/719=78, 2593/3.0=76...(17) QD1 LEU 64 - H LEU 62 far 0 71 0 - 6.4-7.7 QG2 ILE 40 - H LEU 62 far 0 100 0 - 8.5-9.2 Violated in 20 structures by 0.19 A. Peak 723 from nnoeabs.peaks (0.87, 8.82, 120.20 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 100 100 100 100 2.7-3.9 2599=89, 3.1/719=77...(15) QD1 LEU 86 - H LEU 62 far 0 93 0 - 7.4-36.1 HG LEU 51 - H LEU 62 far 0 87 0 - 8.9-10.9 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): 2 out of 2 assignments used, quality = 1.00: * HA ALA 63 + H ALA 63 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 59 + H ALA 63 OK 42 89 55 87 3.9-4.5 4676/933=35...(6) 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 = 0.94: * QB ALA 63 + H ALA 63 OK 94 100 100 94 2.2-2.2 2.9=81, 263/934=31...(7) HB3 LEU 57 - H ALA 63 far 0 87 0 - 5.5-6.1 HB3 LEU 52 - H ALA 63 far 0 95 0 - 8.4-10.4 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 4 87 5 - 4.4-5.2 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.97, 7.42, 119.17 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 100 100 100 100 2.1-2.4 2619=72, 1.8/730=68...(16) QE MET 31 + H LEU 64 OK 27 87 35 89 3.7-5.2 5082=37, 5074/732=29...(13) HG LEU 57 - H LEU 64 far 0 89 0 - 9.0-10.1 HB3 ARG 70 - H LEU 64 far 0 89 0 - 9.4-13.2 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 2.7-3.5 2626=81, 1.8/2619=64...(15) HG3 ARG 66 - H LEU 64 far 5 100 5 - 4.2-7.4 HG2 ARG 70 - H LEU 64 far 0 97 0 - 9.5-13.0 Violated in 2 structures by 0.01 A. Peak 731 from nnoeabs.peaks (1.54, 7.42, 119.17 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + H LEU 64 OK 100 100 100 100 3.1-4.4 3.0/730=70, 2.1/2647=69...(13) HG LEU 62 - H LEU 64 far 0 68 0 - 6.0-7.1 Violated in 17 structures by 0.18 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 3.5-4.1 4.4=83, 2.1/731=75...(15) 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 4.2-4.3 2647=100, 2648/3.0=84...(13) QD2 LEU 62 - H LEU 64 far 0 71 0 - 5.2-6.7 QG2 ILE 40 - H LEU 64 far 0 71 0 - 7.3-8.0 Violated in 8 structures by 0.01 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 2.8-2.9 3.0=100 HA ARG 69 - H VAL 65 far 0 100 0 - 8.3-9.3 HA ILE 40 - H VAL 65 far 0 100 0 - 8.4-9.9 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 = 0.98: * HB VAL 65 + H VAL 65 OK 98 100 100 98 2.1-2.9 2659=70, 2.1/2669=60...(8) HG2 GLU 59 - H VAL 65 far 0 97 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 737 from nnoeabs.peaks (1.23, 8.38, 117.58 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + H VAL 65 OK 99 100 100 99 3.0-3.8 2.1/736=60, 2664=60...(15) QG2 VAL 65 + H VAL 65 OK 82 83 100 99 2.0-3.5 2669=67, 2.1/736=60...(18) HG13 ILE 33 - H VAL 65 far 0 95 0 - 5.5-6.4 HG13 ILE 40 - H VAL 65 far 0 100 0 - 6.4-8.9 HG2 ARG 69 - H VAL 65 far 0 99 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 738 from nnoeabs.peaks (1.21, 8.38, 117.58 ppm; 2.89 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 65 + H VAL 65 OK 99 100 100 99 2.0-3.5 2669=68, 2.1/736=54...(18) QG1 VAL 65 + H VAL 65 OK 80 83 100 96 3.0-3.8 2.1/736=54, 2.1/2669=51...(15) HG13 ILE 33 - H VAL 65 far 0 99 0 - 5.5-6.4 HG13 ILE 40 - H VAL 65 far 0 85 0 - 6.4-8.9 HG2 ARG 69 - H VAL 65 far 0 63 0 - 7.3-10.3 HG LEU 52 - H VAL 65 far 0 89 0 - 7.4-8.8 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 2.8-2.8 3.0=100 HA GLN 61 - H ARG 66 far 0 96 0 - 6.6-7.0 HA ARG 70 - H ARG 66 far 0 71 0 - 8.4-10.0 HA ALA 28 - H ARG 66 far 0 85 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 741 from nnoeabs.peaks (1.88, 8.59, 117.85 ppm; 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 1.8/742=78, 4.0=70...(18) HB ILE 68 - H ARG 66 far 0 81 0 - 5.2-5.8 HG12 ILE 40 - H ARG 66 far 0 60 0 - 6.8-9.2 HB3 ARG 27 - H ARG 66 far 0 78 0 - 8.1-10.9 HB2 ARG 27 - H ARG 66 far 0 76 0 - 8.7-11.1 HB3 ARG 71 - H ARG 66 far 0 78 0 - 8.7-11.4 HB2 ARG 71 - H ARG 66 far 0 76 0 - 8.8-10.9 Violated in 20 structures by 0.04 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 2.4-2.7 1.8/741=65, 4.0=59...(22) HG13 ILE 68 - H ARG 66 far 0 87 0 - 5.2-6.4 HB3 ARG 70 - H ARG 66 far 0 95 0 - 6.5-10.3 HB2 ARG 70 - H ARG 66 far 0 95 0 - 7.2-10.4 HG LEU 57 - H ARG 66 far 0 95 0 - 8.8-9.8 HB2 MET 31 - H ARG 66 far 0 99 0 - 9.4-10.4 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 2.1-3.4 1.8/744=58, 2.8/742=56...(16) HD3 ARG 69 - H ARG 66 far 0 83 0 - 4.9-8.6 HD2 ARG 69 - H ARG 66 far 0 83 0 - 6.1-8.7 QE MET 31 - H ARG 66 far 0 81 0 - 7.2-8.8 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 2.3-3.6 1.8/743=86, 2.8/742=70...(19) HB3 LEU 64 - H ARG 66 far 0 100 0 - 5.8-6.5 HG2 ARG 70 - H ARG 66 far 0 95 0 - 6.5-10.7 Violated in 0 structures by 0.00 A. Peak 745 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 66 + H ARG 66 OK 100 100 100 100 4.3-4.8 3.0/743=79, 3.4/742=72...(18) HD3 ARG 66 + H ARG 66 OK 100 100 100 100 3.5-4.9 3.0/743=79, 3.4/742=72...(18) HD2 ARG 70 - H ARG 66 far 0 89 0 - 6.2-11.5 HD3 ARG 70 - H ARG 66 far 0 92 0 - 7.3-11.8 HD3 ARG 27 - H ARG 66 far 0 83 0 - 8.1-13.8 HD2 ARG 27 - H ARG 66 far 0 83 0 - 8.4-12.8 HD3 ARG 71 - H ARG 66 far 0 97 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 746 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 66 + H ARG 66 OK 100 100 100 100 3.5-4.9 3.0/743=79, 3.4/742=72...(18) HD2 ARG 66 + H ARG 66 OK 100 100 100 100 4.3-4.8 3.0/743=79, 3.4/742=72...(18) HD2 ARG 70 - H ARG 66 far 0 85 0 - 6.2-11.5 HD3 ARG 70 - H ARG 66 far 0 89 0 - 7.3-11.8 HD3 ARG 27 - H ARG 66 far 0 87 0 - 8.1-13.8 HD2 ARG 27 - H ARG 66 far 0 87 0 - 8.4-12.8 HD3 ARG 71 - H ARG 66 far 0 95 0 - 9.1-11.3 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 - 8.1-11.0 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 2.1-2.8 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 2.3-3.1 2738=84, 1.8/749=75...(8) 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 2.7-2.9 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 2.4-2.6 2749=51, 290/939=36...(19) HG13 ILE 68 + H ILE 68 OK 63 65 100 97 2.1-2.7 2.1/2777=37, 2.9/2749=36...(18) HG12 ILE 40 - H ILE 68 far 0 99 0 - 4.8-8.0 HB2 ARG 66 - H ILE 68 far 0 81 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 754 from nnoeabs.peaks (0.81, 8.44, 120.04 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 68 + H ILE 68 OK 100 100 100 100 3.7-3.8 4.0=59, 2.1/2749=57...(18) QD1 ILE 68 + H ILE 68 OK 62 63 100 99 3.0-3.3 2.1/2770=53, 2.1/2763=45...(16) QG1 VAL 41 - H ILE 68 far 0 95 0 - 7.4-8.2 QD1 LEU 43 - H ILE 68 far 0 81 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 755 from nnoeabs.peaks (0.92, 8.44, 120.04 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 68 + H ILE 68 OK 100 100 100 100 3.5-4.0 1.8/2770=59, 2.1/2777=53...(14) QG2 ILE 40 + H ILE 68 OK 54 98 60 92 3.5-4.9 4326/939=40, 5616=35...(10) QG2 VAL 41 - H ILE 68 far 0 93 0 - 5.4-6.5 QD2 LEU 62 - H ILE 68 far 0 98 0 - 7.2-9.0 QG1 VAL 76 - H ILE 68 far 0 100 0 - 8.7-15.3 Violated in 11 structures by 0.02 A. Peak 756 from nnoeabs.peaks (1.92, 8.44, 120.04 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.99: * HG13 ILE 68 + H ILE 68 OK 98 100 100 98 2.1-2.7 2770=45, 2.1/2777=38...(19) HB ILE 68 + H ILE 68 OK 63 65 100 97 2.4-2.6 3.9=44, 293/939=35...(18) HG12 ILE 40 - H ILE 68 far 0 85 0 - 4.8-8.0 HB3 ARG 66 - H ILE 68 far 0 87 0 - 4.9-6.2 HB VAL 41 - H ILE 68 far 0 99 0 - 8.9-10.1 HB2 MET 31 - H ILE 68 far 0 96 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 757 from nnoeabs.peaks (0.78, 8.44, 120.04 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + H ILE 68 OK 100 100 100 100 3.0-3.3 2777=62, 2.1/2770=54...(16) QG2 ILE 68 + H ILE 68 OK 62 63 100 99 3.7-3.8 4.0=62, 2.1/2749=59...(17) QG1 VAL 41 - H ILE 68 far 0 92 0 - 7.4-8.2 Violated in 0 structures by 0.00 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): 2 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 OK 23 100 25 93 4.0-5.0 4747/939=40, 4710=37...(10) HA ILE 40 - H ARG 69 far 0 100 0 - 5.9-7.3 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 5 assignments used, quality = 0.99: * HB2 ARG 69 + H ARG 69 OK 99 100 100 99 2.1-2.4 2792=70, 1.8/2800=54...(15) HB2 LYS 73 - H ARG 69 far 0 83 0 - 6.1-8.0 HB3 LYS 73 - H ARG 69 far 0 71 0 - 6.8-9.4 HB3 LYS 75 - H ARG 69 far 0 92 0 - 9.0-14.2 HB3 LYS 39 - H ARG 69 far 0 83 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 761 from nnoeabs.peaks (1.39, 7.98, 119.32 ppm; 3.35 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 69 + H ARG 69 OK 99 100 100 99 2.7-3.5 1.8/760=71, 2800=61...(15) HG3 ARG 69 + H ARG 69 OK 47 87 55 98 3.1-4.7 3.0/760=53, 3.0/2800=43...(16) QB ALA 78 - H ARG 69 far 0 99 0 - 6.9-18.8 QB ALA 77 - H ARG 69 far 0 85 0 - 7.2-15.9 HG3 LYS 73 - H ARG 69 far 0 99 0 - 8.3-10.2 HG3 LYS 39 - H ARG 69 far 0 97 0 - 9.1-12.2 QB ALA 20 - H ARG 69 far 0 89 0 - 9.4-17.8 Violated in 0 structures by 0.00 A. Peak 762 from nnoeabs.peaks (1.24, 7.98, 119.32 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + H ARG 69 OK 100 100 100 100 3.2-4.6 3.0/760=66, 3.0/2800=55...(16) QG1 VAL 65 + H ARG 69 OK 87 99 95 93 3.9-4.7 3.2/4710=38...(11) QG2 VAL 65 - H ARG 69 far 0 63 0 - 5.3-6.4 HG13 ILE 40 - H ARG 69 far 0 98 0 - 5.6-7.5 HG13 ILE 33 - H ARG 69 far 0 81 0 - 8.8-10.2 Violated in 12 structures by 0.04 A. Peak 763 from nnoeabs.peaks (1.38, 7.98, 119.32 ppm; 3.28 A): 2 out of 7 assignments used, quality = 0.92: HB3 ARG 69 + H ARG 69 OK 85 87 100 98 2.7-3.5 1.8/760=68, 4.0=55...(15) * HG3 ARG 69 + H ARG 69 OK 44 100 45 97 3.1-4.7 3.0/760=50, 3.0/2800=41...(16) QB ALA 78 - H ARG 69 far 0 97 0 - 6.9-18.8 QB ALA 77 - H ARG 69 far 0 100 0 - 7.2-15.9 HG3 LYS 73 - H ARG 69 far 0 97 0 - 8.3-10.2 HG3 LYS 39 - H ARG 69 far 0 63 0 - 9.1-12.2 QB ALA 20 - H ARG 69 far 0 100 0 - 9.4-17.8 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 4 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 poor 13 71 30 61 4.0-5.8 5047/297=19, 5378/940=18...(8) HB2 SER 22 - H ARG 70 far 0 98 0 - 9.0-16.5 HA PHE 48 - H ARG 70 far 0 65 0 - 9.6-11.8 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 6 assignments used, quality = 1.00: HB3 ARG 70 + H ARG 70 OK 93 100 100 93 2.2-3.6 4.1=38, 2.9/770=32...(17) * HB2 ARG 70 + H ARG 70 OK 93 100 100 93 2.6-3.6 4.1=38, 2.9/770=32...(17) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.4-7.6 HB VAL 41 - H ARG 70 far 0 71 0 - 7.4-9.0 HB2 GLN 79 - H ARG 70 far 0 96 0 - 9.2-24.6 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.9-10.7 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 6 assignments used, quality = 1.00: * HB3 ARG 70 + H ARG 70 OK 93 100 100 93 2.2-3.6 4.1=38, 2.9/770=32...(17) HB2 ARG 70 + H ARG 70 OK 93 100 100 93 2.6-3.6 4.1=38, 2.9/770=32...(17) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.4-7.6 HB VAL 41 - H ARG 70 far 0 71 0 - 7.4-9.0 HB2 GLN 79 - H ARG 70 far 0 96 0 - 9.2-24.6 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 770 from nnoeabs.peaks (1.71, 7.95, 118.23 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 70 + H ARG 70 OK 100 100 100 100 1.9-4.2 2864=85, 2844/2.9=63...(18) HG3 ARG 66 - H ARG 70 far 0 95 0 - 6.3-8.7 HB3 LEU 64 - H ARG 70 far 0 97 0 - 9.7-10.5 HB2 LEU 43 - H ARG 70 far 0 90 0 - 9.9-11.2 Violated in 6 structures by 0.04 A. Peak 771 from nnoeabs.peaks (1.61, 7.95, 118.23 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 70 + H ARG 70 OK 100 100 100 100 2.6-4.5 1.8/770=81, 2872=80...(18) HG2 ARG 71 + H ARG 70 OK 49 99 70 71 3.8-6.0 5.0/303=44, 1614=16...(10) HD3 LYS 73 - H ARG 70 far 0 100 0 - 6.2-9.2 HD2 LYS 73 - H ARG 70 far 0 100 0 - 6.2-9.3 HG3 ARG 27 - H ARG 70 far 0 83 0 - 9.9-13.5 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 3 assignments used, quality = 1.00: * HA ARG 71 + H ARG 71 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 25 - H ARG 71 far 0 95 0 - 9.4-13.3 HA ALA 63 - H ARG 71 far 0 93 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 776 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 71 + H ARG 71 OK 96 100 100 96 2.3-3.6 4.0=49, 2.8/779=45...(19) HB3 ARG 71 + H ARG 71 OK 96 100 100 96 2.5-3.6 4.0=49, 2.8/779=45...(15) HB3 ARG 23 - H ARG 71 far 0 100 0 - 6.5-14.3 HB2 ARG 66 - H ARG 71 far 0 76 0 - 6.8-8.9 HB2 ARG 23 - H ARG 71 far 0 99 0 - 7.9-13.9 HB2 LYS 75 - H ARG 71 far 0 97 0 - 8.2-12.2 HB2 ARG 27 - H ARG 71 far 0 100 0 - 9.2-11.7 HB3 ARG 27 - H ARG 71 far 0 100 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 777 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: HB2 ARG 71 + H ARG 71 OK 96 100 100 96 2.3-3.6 4.0=49, 2.8/779=45...(19) * HB3 ARG 71 + H ARG 71 OK 96 100 100 96 2.5-3.6 4.0=49, 2.8/779=45...(15) HB3 ARG 23 - H ARG 71 far 0 99 0 - 6.5-14.3 HB2 ARG 66 - H ARG 71 far 0 78 0 - 6.8-8.9 HB2 ARG 23 - H ARG 71 far 0 99 0 - 7.9-13.9 HB2 LYS 75 - H ARG 71 far 0 97 0 - 8.2-12.2 HB2 ARG 27 - H ARG 71 far 0 100 0 - 9.2-11.7 HB3 ARG 27 - H ARG 71 far 0 100 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 778 from nnoeabs.peaks (1.62, 8.11, 117.98 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 71 + H ARG 71 OK 100 100 100 100 2.0-3.7 1.8/779=81, 2920=56...(25) HG3 ARG 70 + H ARG 71 OK 74 99 75 99 2.1-4.9 1.8/307=68, 2845/3.6=49...(16) HD3 LYS 73 - H ARG 71 far 0 98 0 - 6.6-9.6 HD2 LYS 73 - H ARG 71 far 0 98 0 - 7.4-9.6 HG3 ARG 27 - H ARG 71 far 0 95 0 - 9.0-12.5 HG2 ARG 27 - H ARG 71 far 0 96 0 - 9.3-13.2 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 2.0-3.5 2928=64, 1.8/2920=42...(18) HB3 LYS 73 - H ARG 71 far 0 68 0 - 6.0-6.9 Violated in 0 structures by 0.00 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 6 assignments used, quality = 1.00: * HA2 GLY 72 + H GLY 72 OK 100 100 100 100 2.3-2.9 3.0=100 HA3 GLY 21 - H GLY 72 far 0 96 0 - 5.5-17.8 HA2 GLY 21 - H GLY 72 far 0 97 0 - 6.7-17.2 HA ARG 66 - H GLY 72 far 0 93 0 - 7.5-8.9 HA THR 37 - H GLY 72 far 0 65 0 - 7.7-10.0 HA VAL 76 - H GLY 72 far 0 100 0 - 7.9-14.0 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 3 assignments used, quality = 0.99: * HA LYS 73 + H LYS 73 OK 99 99 100 100 2.8-2.9 3.0=100 HA ALA 78 - H LYS 73 far 0 81 0 - 8.9-18.2 HA GLN 79 - H LYS 73 far 0 96 0 - 9.8-21.6 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 5 assignments used, quality = 0.98: * HB2 LYS 73 + H LYS 73 OK 98 100 100 98 2.1-3.1 4.0=47, 2.9/789=39...(21) HB2 ARG 69 - H LYS 73 far 0 83 0 - 5.7-6.8 HB2 LYS 75 - H LYS 73 far 0 83 0 - 6.5-9.7 HB3 ARG 23 - H LYS 73 far 0 71 0 - 9.8-16.9 HB2 ARG 23 - H LYS 73 far 0 73 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.78, 8.00, 120.49 ppm; 3.13 A): 1 out of 4 assignments used, quality = 0.97: * HB3 LYS 73 + H LYS 73 OK 97 100 100 97 2.3-3.4 4.0=46, 2.9/789=38...(18) HB3 LYS 75 - H LYS 73 far 0 97 0 - 5.4-9.4 HB2 ARG 69 - H LYS 73 far 0 71 0 - 5.7-6.8 HG3 ARG 71 - H LYS 73 far 0 68 0 - 6.1-7.1 Violated in 19 structures by 0.07 A. Peak 789 from nnoeabs.peaks (1.48, 8.00, 120.49 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 3.7-4.2 2.9/788=72, 2.9/787=72...(21) Violated in 14 structures by 0.04 A. Peak 790 from nnoeabs.peaks (1.39, 8.00, 120.49 ppm; 3.99 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 4.2-4.7 1.8/789=78, 2.9/788=75...(20) HG3 ARG 69 + H LYS 73 OK 26 97 35 78 4.1-6.3 4347/5263=19...(10) HB3 ARG 69 - H LYS 73 far 10 99 10 - 4.8-7.0 QB ALA 77 - H LYS 73 far 0 96 0 - 5.0-13.1 QB ALA 78 - H LYS 73 far 0 100 0 - 5.8-15.3 QB ALA 20 - H LYS 73 far 0 97 0 - 6.1-18.5 HG3 LYS 75 - H LYS 73 far 0 100 0 - 6.3-10.6 HG2 LYS 75 - H LYS 73 far 0 100 0 - 7.3-10.9 Violated in 18 structures by 0.19 A. Peak 791 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.87: * HD2 LYS 73 + H LYS 73 OK 80 100 80 100 3.2-5.9 3.5/788=76, 3.5/787=76...(20) HD3 LYS 73 + H LYS 73 OK 35 100 35 100 2.8-5.8 3.5/788=76, 3.5/787=76...(19) HG2 ARG 71 - H LYS 73 poor 20 98 20 - 4.4-7.4 HG3 ARG 70 - H LYS 73 far 5 100 5 - 5.1-7.4 Violated in 11 structures by 0.07 A. Peak 792 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.87: HD2 LYS 73 + H LYS 73 OK 80 100 80 100 3.2-5.9 3.5/788=76, 3.5/787=76...(20) * HD3 LYS 73 + H LYS 73 OK 35 100 35 100 2.8-5.8 3.5/788=76, 3.5/787=76...(19) HG2 ARG 71 - H LYS 73 poor 20 98 20 - 4.4-7.4 HG3 ARG 70 - H LYS 73 far 5 100 5 - 5.1-7.4 Violated in 11 structures by 0.07 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 2.3-2.9 3.0=100 HA PRO 36 - H ARG 26 far 0 55 0 - 8.0-11.2 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 4 assignments used, quality = 0.91: * HB2 ASN 74 + H ASN 74 OK 84 100 100 84 2.1-4.0 4.0=78, 334/4.6=22...(4) HB3 ASN 74 + H ASN 74 OK 46 57 100 80 3.0-4.1 4.0=78, 334/4.6=11 HB3 ASP 67 - H ASN 74 far 0 65 0 - 9.6-13.6 HB3 ASP 67 - H ARG 26 far 0 31 0 - 9.8-12.0 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 2 assignments used, quality = 0.93: * HB3 ASN 74 + H ASN 74 OK 87 100 100 87 3.0-4.1 4.0=83, 335/4.6=22, 16009/6153=2 HB2 ASN 74 + H ASN 74 OK 49 57 100 86 2.1-4.0 4.0=83, 335/4.6=12, 5058/327=2 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 2.3-2.9 3.0=100 HA LYS 85 + H LYS 85 OK 44 44 100 100 2.8-2.9 2.9=100 HA LYS 83 - H LYS 85 far 5 54 10 - 4.3-7.0 HA ALA 77 - H LYS 75 far 0 97 0 - 5.7-8.5 HA ALA 20 - H LYS 75 far 0 89 0 - 8.5-25.2 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 5 assignments used, quality = 0.98: * HB2 LYS 75 + H LYS 75 OK 98 100 100 98 2.2-3.9 4.0=82, 340/5410=40...(16) HB2 LYS 73 - H LYS 75 far 8 83 10 - 3.4-7.8 HB2 ARG 71 - H LYS 75 far 0 97 0 - 6.3-11.0 HB3 ARG 71 - H LYS 75 far 0 97 0 - 6.9-11.0 HB ILE 89 - H LYS 85 far 0 40 0 - 9.4-17.3 Violated in 3 structures by 0.01 A. Peak 804 from nnoeabs.peaks (1.79, 8.09, 121.69 ppm; 3.56 A): 4 out of 7 assignments used, quality = 0.99: * HB3 LYS 75 + H LYS 75 OK 96 100 100 96 2.1-3.9 4.0=70, 341/5410=31...(16) HB2 LYS 85 + H LYS 85 OK 39 44 100 89 2.3-4.0 4.0=68, 2.9/5849=26...(8) HB3 LYS 73 + H LYS 75 OK 38 97 55 71 2.2-6.9 6053/3.6=22, 325/4.6=19...(11) HB3 ARG 84 + H LYS 85 OK 32 44 95 76 2.0-4.6 4.6=45, 3370/3.6=21...(8) HB2 LYS 83 - H LYS 85 far 3 52 5 - 4.4-8.1 HB3 ARG 82 - H LYS 85 far 0 35 0 - 6.4-10.7 HB2 ARG 69 - H LYS 75 far 0 92 0 - 6.9-12.6 Violated in 0 structures by 0.00 A. Peak 805 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.49 A): 5 out of 12 assignments used, quality = 1.00: HG3 LYS 75 + H LYS 75 OK 100 100 100 100 2.2-4.8 4.8=81, 2.7/803=81...(24) * HG2 LYS 75 + H LYS 75 OK 100 100 100 100 3.0-4.8 4.8=81, 2.7/803=81...(24) HG3 LYS 73 + H LYS 75 OK 46 100 60 77 3.2-8.1 327/4.6=29, 1.8/5849=26...(9) HG2 LYS 85 + H LYS 85 OK 46 48 100 96 2.2-5.0 4.8=80, 1.8/5849=51...(6) QB ALA 77 + H LYS 75 OK 20 93 25 87 4.3-7.7 16040/3.6=68...(8) HG2 LYS 83 - H LYS 85 poor 9 37 25 - 3.4-8.7 HG3 ARG 69 - H LYS 75 far 5 95 5 - 4.7-12.4 QB ALA 20 - H LYS 75 far 0 96 0 - 5.6-22.2 HB3 ARG 69 - H LYS 75 far 0 100 0 - 6.6-12.7 QB ALA 78 - H LYS 75 far 0 100 0 - 6.8-10.5 QB ALA 53 - H LYS 85 far 0 53 0 - 8.5-37.4 QB ALA 77 - H LYS 85 far 0 46 0 - 9.9-21.2 Violated in 0 structures by 0.00 A. Peak 806 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.49 A): 5 out of 12 assignments used, quality = 1.00: * HG3 LYS 75 + H LYS 75 OK 100 100 100 100 2.2-4.8 4.8=81, 2.7/803=81...(24) HG2 LYS 75 + H LYS 75 OK 100 100 100 100 3.0-4.8 4.8=81, 2.7/803=81...(24) HG3 LYS 73 + H LYS 75 OK 46 100 60 77 3.2-8.1 327/4.6=29, 1.8/5849=26...(9) HG2 LYS 85 + H LYS 85 OK 46 48 100 96 2.2-5.0 4.8=80, 1.8/5849=51...(6) QB ALA 77 + H LYS 75 OK 20 93 25 87 4.3-7.7 16040/3.6=68...(8) HG2 LYS 83 - H LYS 85 poor 9 37 25 - 3.4-8.7 HG3 ARG 69 - H LYS 75 far 5 95 5 - 4.7-12.4 QB ALA 20 - H LYS 75 far 0 96 0 - 5.6-22.2 HB3 ARG 69 - H LYS 75 far 0 100 0 - 6.6-12.7 QB ALA 78 - H LYS 75 far 0 100 0 - 6.8-10.5 QB ALA 53 - H LYS 85 far 0 53 0 - 8.5-37.4 QB ALA 77 - H LYS 85 far 0 46 0 - 9.9-21.2 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 4 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 - 6.9-13.6 HA3 GLY 21 - H VAL 76 far 0 89 0 - 7.3-28.9 HA2 GLY 21 - H VAL 76 far 0 90 0 - 8.2-27.6 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 5 assignments used, quality = 0.90: * HB VAL 76 + H VAL 76 OK 90 100 100 90 2.6-3.5 4.0=51, 2.1/815=45...(7) HD3 ARG 69 - H VAL 76 far 0 93 0 - 7.4-15.4 HD2 ARG 69 - H VAL 76 far 0 93 0 - 8.0-15.4 HB VAL 45 - H VAL 76 far 0 81 0 - 8.4-20.4 HB3 GLU 19 - H VAL 76 far 0 99 0 - 9.5-30.4 Violated in 11 structures by 0.05 A. Peak 814 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.91: * QG1 VAL 76 + H VAL 76 OK 86 100 90 96 2.2-4.0 2.1/813=60, 3.9=50...(12) QG2 VAL 76 + H VAL 76 OK 38 100 40 95 2.4-4.1 2.1/813=60, 3.9=50...(11) QG2 VAL 41 - H VAL 76 far 0 93 0 - 7.5-12.4 Violated in 0 structures by 0.00 A. Peak 815 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.91: QG1 VAL 76 + H VAL 76 OK 86 100 90 96 2.2-4.0 2.1/813=60, 3.9=50...(12) * QG2 VAL 76 + H VAL 76 OK 38 100 40 95 2.4-4.1 2.1/813=60, 3.9=50...(11) QG2 VAL 41 - H VAL 76 far 0 93 0 - 7.5-12.4 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): 2 out of 5 assignments used, quality = 1.00: * HA ALA 77 + H ALA 77 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 75 + H ALA 77 OK 22 97 35 63 3.1-6.7 339/5411=44, 4.7/349=34 HA ALA 78 - H ALA 77 far 0 63 0 - 4.6-5.9 HA ALA 20 - H ALA 77 far 0 65 0 - 7.5-29.9 HA GLU 19 - H ALA 77 far 0 76 0 - 8.7-32.9 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 9 assignments used, quality = 1.00: * QB ALA 77 + H ALA 77 OK 100 100 100 100 2.0-2.8 2.9=100 QB ALA 78 - H ALA 77 far 5 96 5 - 3.6-5.8 HG2 LYS 75 - H ALA 77 far 5 93 5 - 3.8-9.2 QB ALA 20 - H ALA 77 far 0 100 0 - 4.2-25.5 HG3 LYS 73 - H ALA 77 far 0 96 0 - 4.3-14.1 HG3 LYS 75 - H ALA 77 far 0 93 0 - 5.0-9.3 HB3 ARG 69 - H ALA 77 far 0 85 0 - 7.1-18.0 HG3 ARG 69 - H ALA 77 far 0 100 0 - 8.4-17.4 QB ALA 16 - H ALA 77 far 0 90 0 - 9.7-34.2 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 4 assignments used, quality = 1.00: * HA ALA 78 + H ALA 78 OK 100 100 100 100 2.3-2.9 2.9=100 HA ALA 77 + H ALA 78 OK 57 65 100 86 2.1-3.5 3.6=73, 2.1/355=33...(5) HA GLN 79 - H ALA 78 far 0 98 0 - 4.8-5.7 HA LYS 73 - H ALA 78 far 0 69 0 - 7.1-15.0 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 10 assignments used, quality = 0.98: * QB ALA 78 + H ALA 78 OK 93 100 100 93 2.0-2.9 2.9=92, 3.6/5857=12...(4) QB ALA 77 + H ALA 78 OK 70 96 100 73 2.1-3.7 3.6=51, 2.1/354=31...(5) QB ALA 20 - H ALA 78 far 0 97 0 - 4.5-28.2 HG2 LYS 75 - H ALA 78 far 0 100 0 - 5.0-12.5 HG3 LYS 73 - H ALA 78 far 0 100 0 - 5.8-15.9 HG3 ARG 69 - H ALA 78 far 0 97 0 - 6.1-18.1 QB ALA 16 - H ALA 78 far 0 63 0 - 6.4-36.5 HG3 LYS 75 - H ALA 78 far 0 100 0 - 6.7-11.8 HB3 ARG 69 - H ALA 78 far 0 99 0 - 7.6-19.7 HG2 LYS 83 - H ALA 78 far 0 85 0 - 9.3-19.7 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 4 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 2.2-3.6 3.6=100 HA ARG 82 - H GLN 79 far 0 81 0 - 7.7-11.8 HA LYS 73 - H GLN 79 far 0 87 0 - 9.1-19.0 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 6 assignments used, quality = 0.96: * HB2 GLN 79 + H GLN 79 OK 90 100 100 90 2.2-3.9 4.0=78, 3.0/5415=24...(5) HB3 GLN 79 + H GLN 79 OK 57 63 100 90 2.1-3.9 4.0=78, 3.0/5415=24...(5) HB2 ARG 70 - H GLN 79 far 5 96 5 - 4.6-20.7 HG2 PRO 14 - H GLN 79 far 4 87 5 - 2.7-55.3 HG3 PRO 14 - H GLN 79 far 4 87 5 - 3.4-56.4 HB3 ARG 70 - H GLN 79 far 0 96 0 - 6.0-19.2 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 2 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 - 6.3-9.2 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 2.2-4.0 4.0=100 HB3 ARG 82 + H LYS 83 OK 83 90 100 92 3.3-4.6 4.4=75, 5479/5.0=40...(6) HB3 ARG 84 - H LYS 83 poor 16 81 20 - 4.2-7.5 HB2 LYS 85 - H LYS 83 far 0 81 0 - 6.0-11.2 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 2.3-3.8 4.0=92, 1.8/832=39...(7) HB2 ARG 82 + H LYS 83 OK 67 76 100 88 2.0-4.4 4.4=69, 1.8/361=39...(6) HB2 ARG 84 - H LYS 83 far 10 98 10 - 3.9-6.8 HB3 LYS 85 - H LYS 83 far 0 100 0 - 4.9-10.2 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 4 assignments used, quality = 1.00: * HA ARG 84 + H ARG 84 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 82 - H ARG 84 far 15 99 15 - 3.4-6.6 HA LEU 29 - H ALA 28 far 0 57 0 - 5.1-5.4 HA GLN 79 - H ARG 84 far 0 95 0 - 7.9-15.3 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 = 1.00: * HB2 ARG 84 + H ARG 84 OK 98 100 100 98 2.2-3.9 4.0=79, 1.8/843=41...(16) HB3 LYS 83 + H ARG 84 OK 80 98 95 85 2.1-4.6 4.3=63, 1.8/368=37...(6) HB3 LYS 85 - H ARG 84 far 10 100 10 - 4.4-7.0 HG3 ARG 26 - H ALA 28 far 3 61 5 - 4.5-6.7 HB2 LEU 29 - H ALA 28 far 0 81 0 - 4.7-6.1 HB3 LEU 64 - H ALA 28 far 0 45 0 - 6.1-8.0 HG3 ARG 71 - H ALA 28 far 0 54 0 - 8.0-12.5 HB3 ARG 17 - H ALA 28 far 0 71 0 - 9.5-18.8 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 = 1.00: * HB3 ARG 84 + H ARG 84 OK 99 100 100 99 2.5-4.0 4.0=88, 1.8/842=43...(13) HB2 LYS 83 + H ARG 84 OK 70 81 100 86 2.5-4.5 4.3=70, 1.8/369=36...(6) HB2 LYS 85 - H ARG 84 far 0 100 0 - 5.4-7.5 HB2 LYS 32 - H ALA 28 far 0 45 0 - 8.8-9.9 HB3 LYS 32 - H ALA 28 far 0 45 0 - 9.2-10.6 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 8 assignments used, quality = 1.00: * HG2 ARG 84 + H ARG 84 OK 98 100 100 98 2.0-4.5 5.0=55, 3.0/843=39...(18) HG3 ARG 84 + H ARG 84 OK 98 100 100 98 2.2-4.6 5.0=55, 3.0/843=39...(18) HB3 LEU 29 - H ALA 28 far 0 77 0 - 5.4-6.3 HG LEU 86 - H ARG 84 far 0 100 0 - 5.8-12.1 HG2 ARG 26 - H ALA 28 far 0 48 0 - 5.9-6.9 HB2 LEU 86 - H ARG 84 far 0 81 0 - 6.8-10.6 HG2 ARG 71 - H ALA 28 far 0 52 0 - 7.3-13.6 HB3 LEU 62 - H ARG 84 far 0 100 0 - 9.2-34.6 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 8 assignments used, quality = 1.00: HG2 ARG 84 + H ARG 84 OK 98 100 100 98 2.0-4.5 5.0=55, 3.0/843=39...(18) * HG3 ARG 84 + H ARG 84 OK 98 100 100 98 2.2-4.6 5.0=55, 3.0/843=39...(18) HB3 LEU 29 - H ALA 28 far 0 77 0 - 5.4-6.3 HG LEU 86 - H ARG 84 far 0 100 0 - 5.8-12.1 HG2 ARG 26 - H ALA 28 far 0 48 0 - 5.9-6.9 HB2 LEU 86 - H ARG 84 far 0 81 0 - 6.8-10.6 HG2 ARG 71 - H ALA 28 far 0 52 0 - 7.3-13.6 HB3 LEU 62 - H ARG 84 far 0 100 0 - 9.2-34.6 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 5 assignments used, quality = 1.00: * HA LYS 85 + H LYS 85 OK 100 100 100 100 2.8-2.9 2.9=100 HA LYS 75 + H LYS 75 OK 44 44 100 100 2.3-2.9 3.0=100 HA LYS 83 - H LYS 85 far 9 93 10 - 4.3-7.0 HA ALA 77 - H LYS 75 far 0 53 0 - 5.7-8.5 HA ALA 78 - H LYS 75 far 0 34 0 - 8.5-11.6 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 8 assignments used, quality = 1.00: * HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.3-4.0 4.0=82, 1.8/851=39...(8) HB3 ARG 84 + H LYS 85 OK 93 100 100 93 2.0-4.6 4.6=55, 3.0/377=54...(8) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.1-3.9 4.0=85, 3977/4.6=28...(15) HB3 LYS 73 - H LYS 75 poor 17 31 55 - 2.2-6.9 HB2 LYS 73 - H LYS 75 far 6 38 15 - 3.4-7.8 HB2 LYS 83 - H LYS 85 far 4 81 5 - 4.4-8.1 HB2 ARG 69 - H LYS 75 far 0 54 0 - 6.9-12.6 HB ILE 89 - H LYS 85 far 0 81 0 - 9.4-17.3 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 7 assignments used, quality = 1.00: * HB3 LYS 85 + H LYS 85 OK 96 100 100 96 2.3-3.5 4.0=80, 387/4.7=33...(10) HB2 ARG 84 + H LYS 85 OK 92 100 100 92 2.1-4.5 4.6=53, 3.0/377=53...(8) HB3 LYS 83 - H LYS 85 far 5 100 5 - 2.7-8.0 HB2 ARG 82 - H LYS 85 far 0 63 0 - 4.7-9.9 HG2 ARG 70 - H LYS 75 far 0 46 0 - 6.1-10.6 HG3 ARG 71 - H LYS 75 far 0 26 0 - 7.9-11.9 HG3 ARG 66 - H LYS 85 far 0 65 0 - 9.8-32.7 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 12 assignments used, quality = 1.00: * HG2 LYS 85 + H LYS 85 OK 99 100 100 99 2.2-5.0 4.8=92, 3427/2.9=43...(6) HG3 LYS 75 + H LYS 75 OK 48 48 100 100 2.2-4.8 4.8=94, 3071/3.0=42...(23) HG2 LYS 75 + H LYS 75 OK 48 48 100 100 3.0-4.8 4.8=94, 3070/3.0=42...(23) HG3 LYS 73 + H LYS 75 OK 22 49 60 74 3.2-8.1 327/4.6=30, 5892=17...(9) QB ALA 77 - H LYS 75 poor 13 54 25 - 4.3-7.7 HG2 LYS 83 - H LYS 85 lone 3 98 30 11 3.4-8.7 2963/3.6=9, 5892=1 HG3 ARG 69 - H LYS 75 far 3 54 5 - 4.7-12.4 QB ALA 20 - H LYS 75 far 3 54 5 - 5.6-22.2 HB3 ARG 69 - H LYS 75 far 0 42 0 - 6.6-12.7 QB ALA 78 - H LYS 75 far 0 49 0 - 6.8-10.5 QB ALA 53 - H LYS 85 far 0 92 0 - 8.5-37.4 QB ALA 77 - H LYS 85 far 0 100 0 - 9.9-21.2 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 3 assignments used, quality = 1.00: * HG3 LYS 85 + H LYS 85 OK 100 100 100 100 2.0-4.8 4.8=100 HG2 LYS 73 - H LYS 75 poor 16 31 50 - 2.2-9.1 HG13 ILE 89 - H LYS 85 far 0 93 0 - 7.5-17.8 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 2.8-2.9 3.0=100 HA GLU 87 - H LEU 86 far 9 93 10 - 4.4-5.6 HA THR 88 - H LEU 86 far 0 78 0 - 5.4-8.7 Violated in 0 structures by 0.00 A. Peak 860 from nnoeabs.peaks (1.61, 8.27, 123.92 ppm; 3.28 A): 2 out of 5 assignments used, quality = 0.92: * HB2 LEU 86 + H LEU 86 OK 89 100 100 89 2.1-3.9 4.0=56, 3.0/5894=25...(12) HG LEU 86 + H LEU 86 OK 31 90 45 77 2.1-4.6 3537/4.0=25, 5894=25...(6) HG2 ARG 84 - H LEU 86 far 0 81 0 - 4.4-8.8 HG3 ARG 84 - H LEU 86 far 0 81 0 - 5.0-9.0 HB3 LEU 62 - H LEU 86 far 0 68 0 - 7.9-38.2 Violated in 1 structures by 0.00 A. Peak 861 from nnoeabs.peaks (1.56, 8.27, 123.92 ppm; 3.38 A): 1 out of 3 assignments used, quality = 0.93: * HB3 LEU 86 + H LEU 86 OK 93 100 100 93 2.7-3.5 4.0=61, 3.0/5894=27...(13) HB3 LEU 62 - H LEU 86 far 0 71 0 - 7.9-38.2 HG LEU 62 - H LEU 86 far 0 100 0 - 9.7-40.2 Violated in 5 structures by 0.01 A. Peak 862 from nnoeabs.peaks (1.60, 8.27, 123.92 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.85: HB2 LEU 86 + H LEU 86 OK 77 90 100 85 2.1-3.9 4.0=50, 3.0/5894=23...(12) * HG LEU 86 + H LEU 86 OK 34 100 45 75 2.1-4.6 3537/4.0=26, 5894=24...(6) HG2 ARG 84 - H LEU 86 far 0 100 0 - 4.4-8.8 HG3 ARG 84 - H LEU 86 far 0 100 0 - 5.0-9.0 HB3 LEU 62 - H LEU 86 far 0 97 0 - 7.9-38.2 Violated in 1 structures by 0.01 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 81 93 100 86 2.1-3.5 3.6=60, 3.0/397=29...(9) 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 5 assignments used, quality = 1.00: * HB2 GLU 87 + H GLU 87 OK 100 100 100 100 2.2-3.9 4.0=100 HB3 GLN 91 - H GLU 87 far 0 98 0 - 5.7-16.8 HG2 ARG 66 - H GLU 87 far 0 81 0 - 8.9-39.4 HB VAL 90 - H GLU 87 far 0 95 0 - 9.2-12.5 HB3 GLU 50 - H GLU 87 far 0 98 0 - 9.9-51.4 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 2 assignments used, quality = 0.88: * HB3 GLU 87 + H GLU 87 OK 88 100 100 88 2.5-3.6 4.0=75, 3.0/870=24...(5) HB2 GLN 91 - H GLU 87 far 0 97 0 - 6.2-16.5 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 3 assignments used, quality = 1.00: * HG2 GLU 87 + H GLU 87 OK 99 100 100 99 2.1-5.2 4.8=93, 3.0/868=83...(5) HG3 GLU 87 + H GLU 87 OK 99 100 100 99 2.1-5.0 4.8=93, 3.0/868=83...(5) HG3 GLU 50 - H GLU 87 far 0 99 0 - 9.1-50.9 Violated in 0 structures by 0.00 A. Peak 870 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.99: * HG3 GLU 87 + H GLU 87 OK 94 100 100 94 2.1-5.0 3.0/868=72, 4.8=68...(5) HG2 GLU 87 + H GLU 87 OK 89 100 95 94 2.1-5.2 3.0/868=72, 4.8=68...(5) HG3 GLU 50 - H GLU 87 far 0 98 0 - 9.1-50.9 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 3 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 8 78 10 - 4.2-6.5 HA SER 60 - H THR 88 far 0 100 0 - 7.4-48.3 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 2.6-3.9 3.9=100 HA GLN 91 - H THR 88 far 0 93 0 - 7.5-12.1 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 2.0-4.0 4.0=100 HG12 ILE 89 - H THR 88 poor 20 100 20 - 3.1-7.8 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 3 assignments used, quality = 1.00: * HA ILE 89 + H ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 53 - H ILE 89 far 0 99 0 - 7.5-55.6 HA ARG 84 - H ILE 89 far 0 92 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 877 from nnoeabs.peaks (1.82, 8.17, 124.35 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.90: * HB ILE 89 + H ILE 89 OK 90 100 100 90 2.5-3.7 4.0=70, 2.9/5269=44...(5) HB2 LYS 85 - H ILE 89 far 0 81 0 - 8.2-12.7 Violated in 10 structures by 0.05 A. Peak 879 from nnoeabs.peaks (1.14, 8.17, 124.35 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: QG2 THR 88 + H ILE 89 OK 99 100 100 99 2.3-4.5 3.9=91, 3.2/408=66...(6) * HG12 ILE 89 + H ILE 89 OK 96 100 100 96 2.0-4.2 1.8/5269=65, 2.9/877=63...(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 2.3-2.9 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 10 assignments used, quality = 1.00: * HB VAL 90 + H VAL 90 OK 100 100 100 100 2.7-3.6 3.9=100 HB3 MET 11 + H ALA 12 OK 47 48 100 99 2.0-4.0 4.1=99 HB3 GLN 91 - H VAL 90 far 4 78 5 - 4.5-7.5 HB2 GLU 87 - H VAL 90 far 0 95 0 - 6.6-11.1 HG2 PRO 44 - H ALA 12 far 0 26 0 - 6.7-44.4 HG LEU 43 - H ALA 12 far 0 24 0 - 7.0-38.7 HB3 PRO 56 - H VAL 90 far 0 95 0 - 7.4-60.2 HB2 GLU 50 - H ALA 12 far 0 36 0 - 8.4-42.6 HB3 GLU 50 - H ALA 12 far 0 36 0 - 9.3-42.2 HG2 PRO 56 - H VAL 90 far 0 85 0 - 9.8-60.4 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 2.0-4.0 4.0=100 QG2 VAL 90 + H VAL 90 OK 100 100 100 100 2.6-4.0 4.0=100 QD1 LEU 86 - H VAL 90 far 0 96 0 - 5.3-11.3 QD1 LEU 62 - H VAL 90 far 0 68 0 - 8.2-43.7 QD1 LEU 29 - H ALA 12 far 0 38 0 - 10.0-23.7 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: QG1 VAL 90 + H VAL 90 OK 100 100 100 100 2.0-4.0 4.0=100 * QG2 VAL 90 + H VAL 90 OK 100 100 100 100 2.6-4.0 4.0=100 QD1 LEU 86 - H VAL 90 far 0 97 0 - 5.3-11.3 QD1 LEU 62 - H VAL 90 far 0 71 0 - 8.2-43.7 QD1 LEU 29 - H ALA 12 far 0 40 0 - 10.0-23.7 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 2.2-3.6 3.6=100 HB3 GLU 87 - H GLN 91 far 0 97 0 - 7.2-13.9 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 2.3-3.7 3.6=100 HB VAL 90 + H GLN 91 OK 78 78 100 100 3.9-4.5 4.4=100 HB2 GLU 87 - H GLN 91 far 0 98 0 - 6.9-14.0 HB3 PRO 56 - H GLN 91 far 0 98 0 - 7.9-62.7 Violated in 0 structures by 0.00 A. Peak 903 from nnoeabs.peaks (8.20, 8.34, 120.23 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.99: * H GLU 25 + H ASP 24 OK 99 100 100 99 2.4-2.9 50=86, 53/518=59...(8) H SER 22 + H ASP 24 OK 31 97 40 80 3.5-5.8 2.9/5501=48, 3.9/4156=40...(4) H ARG 27 - H ASP 24 poor 14 76 30 63 4.7-5.5 5383/3.0=45, 3740/517=14...(5) H ALA 28 - H ASP 24 far 0 96 0 - 6.1-7.3 H ALA 77 - H ASP 24 far 0 71 0 - 9.7-23.0 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 2 assignments used, quality = 0.97: * H ARG 26 + H GLU 25 OK 97 100 100 97 2.5-3.0 4.6=58, 4169/3.6=39...(10) H ARG 71 - H GLU 25 far 0 71 0 - 8.2-12.8 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 3 assignments used, quality = 1.00: * H LEU 29 + H ALA 28 OK 100 100 100 100 2.4-2.8 76=100, 78/2.9=60...(9) H LYS 32 - H ALA 28 far 0 97 0 - 5.5-6.8 H ASP 67 - H ALA 28 far 0 81 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 908 from nnoeabs.peaks (7.98, 7.95, 119.22 ppm; 2.53 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 30 + H LEU 29 OK 98 100 100 98 2.4-2.7 79=81, 3764/546=26...(14) Violated in 13 structures by 0.06 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 2.4-2.8 86=100, 3.6/553=56...(11) Violated in 0 structures by 0.00 A. Peak 910 from nnoeabs.peaks (7.94, 7.71, 115.23 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 32 + H MET 31 OK 99 100 100 99 2.0-2.5 89=79, 90/3.0=49...(17) H LEU 29 + H MET 31 OK 89 97 100 93 3.6-4.0 908/909=51, 3.0/5526=30...(12) 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 2.4-2.6 119=100, 121/3.8=47...(9) 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 2.7-3.0 123=84, 127/4888=31...(13) 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 2 assignments used, quality = 1.00: * H ILE 40 + H LYS 39 OK 100 100 100 100 2.4-2.8 127=96, 129/593=45...(11) HE ARG 54 - H LYS 39 far 0 78 0 - 10.0-16.2 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 2.2-3.0 137=87, 139/603=46...(15) HD21 ASN 42 - H ILE 40 far 0 100 0 - 4.9-5.6 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 2.1-2.6 146/610=52, 144=51...(11) 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 1 assignment used, quality = 1.00: * H LEU 43 + H ASN 42 OK 100 100 100 100 2.4-3.0 149=100, 3824/3.0=55...(8) Violated in 0 structures by 0.00 A. Peak 918 from nnoeabs.peaks (8.77, 8.62, 122.56 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 46 + H VAL 45 OK 99 100 100 99 2.5-2.6 162=67, 166/630=66...(8) H PHE 48 + H VAL 45 OK 72 100 80 90 4.6-5.0 4451/3.0=61, 171/5651=33...(8) 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 2 assignments used, quality = 0.98: * H ASP 47 + H ASP 46 OK 98 100 100 98 2.5-2.7 170/634=50, 167=50...(16) HE ARG 54 - H ASP 46 far 0 100 0 - 8.5-14.6 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 97 100 100 97 2.3-2.9 171=67, 174/638=30...(20) H ASP 46 + H ASP 47 OK 96 100 100 96 2.5-2.7 919=67, 634/170=38...(15) 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...(13) H VAL 45 - H PHE 48 far 0 68 0 - 4.6-5.0 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 2.6-3.0 181=88, 184/648=37...(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 2.3-2.7 187=100, 660/5670=28...(15) H ARG 54 - H GLU 50 far 0 100 0 - 5.9-6.4 H LEU 43 - H GLU 50 far 0 97 0 - 9.3-10.6 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 = 0.99: * H LEU 52 + H LEU 51 OK 99 100 100 99 2.6-2.9 193=53, 196/660=48...(14) 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 2.4-2.7 200=100, 203/667=44...(14) H ILE 40 - H LEU 52 far 0 76 0 - 9.6-10.7 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 = 0.99: * H ARG 54 + H ALA 53 OK 99 100 100 99 2.3-2.5 207=83, 209/673=43...(15) H LEU 51 - H ALA 53 far 0 100 0 - 4.0-4.4 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 2.1-2.7 210=100, 4973/926=32...(12) Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (9.06, 8.15, 124.80 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + H LEU 57 OK 100 100 100 100 4.5-4.6 4.6=93, 4.2/690=66...(7) Violated in 19 structures by 0.06 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 2.5-2.8 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 2.3-2.8 242=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...(16) 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...(14) 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 2.6-3.0 261=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 2.3-2.8 264=100, 266/2619=47...(15) 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 2.5-3.1 271=100, 273/736=50...(11) 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 2.6-2.8 276=86, 280/743=33...(18) H ARG 70 - H ARG 66 far 0 78 0 - 6.0-7.4 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 2.4-2.8 284=100, 286/749=50...(16) 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 2.3-2.8 288=94, 290/2749=44...(13) H GLY 72 - H ILE 68 far 0 99 0 - 5.3-7.0 H LYS 73 - H ILE 68 far 0 93 0 - 7.5-8.5 H ALA 63 - H ILE 68 far 0 100 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 940 from nnoeabs.peaks (7.95, 7.98, 119.32 ppm; 2.71 A): 1 out of 4 assignments used, quality = 0.84: * H ARG 70 + H ARG 69 OK 84 100 100 84 2.3-2.8 297/760=27, 4.6=20...(14) H ASP 67 - H ARG 69 far 0 78 0 - 3.7-4.2 H VAL 76 - H ARG 69 far 0 99 0 - 9.1-15.3 H ALA 63 - H ARG 69 far 0 71 0 - 9.5-10.0 Violated in 7 structures by 0.03 A. Peak 942 from nnoeabs.peaks (7.99, 8.11, 117.98 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: * H GLY 72 + H ARG 71 OK 100 100 100 100 2.3-2.9 5397=99, 5.0/779=27...(15) H ARG 69 + H ARG 71 OK 87 99 95 93 3.7-4.4 940/5390=55, 5825=47...(11) H LYS 73 + H ARG 71 OK 45 99 55 82 3.8-4.6 5987/3.6=38, 4.5/5397=33...(9) 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 2.3-4.4 322=81, 4.3/788=59...(6) H ALA 78 - H LYS 73 far 0 100 0 - 6.6-16.4 Violated in 12 structures by 0.07 A. Peak 4064 from nnoeabs.peaks (3.96, 7.46, 111.22 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.98: * HA GLN 61 + HE21 GLN 61 OK 95 100 95 100 3.6-5.9 2529/3.5=79, 6133/1.7=64...(13) HA LYS 32 + HE21 GLN 61 OK 62 96 75 87 4.6-6.0 3.0/6065=34, 4072/1.7=33...(8) HA ALA 28 - HE21 GLN 61 poor 20 99 20 - 5.5-8.0 HA THR 37 - HE21 GLN 61 far 0 60 0 - 9.6-11.6 Violated in 3 structures by 0.01 A. Peak 4065 from nnoeabs.peaks (2.53, 7.46, 111.22 ppm; 5.31 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.2-5.2 4.6=100 HG3 MET 31 + HE21 GLN 61 OK 65 100 65 99 4.8-8.7 3.0/5910=70, 3.0/5932=53...(11) 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 2.6-4.1 3.5=100 HG2 MET 31 - HE21 GLN 61 far 0 73 0 - 5.3-8.4 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 2.1-4.0 3.5=100 Violated in 1 structures by 0.01 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 - 7.7-10.9 Violated in 0 structures by 0.00 A. Peak 4072 from nnoeabs.peaks (3.96, 6.83, 111.22 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 61 + HE22 GLN 61 OK 100 100 100 100 4.1-5.6 2529/3.5=82, 6133=75...(13) HA LYS 32 + HE22 GLN 61 OK 74 96 90 86 4.5-7.4 4064/1.7=33, 3.0/4670=30...(7) HA ALA 28 - HE22 GLN 61 far 5 99 5 - 5.3-8.0 HA THR 37 - HE22 GLN 61 far 0 60 0 - 9.7-12.1 Violated in 2 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 3.2-5.2 4.6=100 HG3 MET 31 - HE22 GLN 61 poor 20 100 20 - 5.5-8.2 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 5 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-4.1 4.6=100 HG3 ARG 27 - HE22 GLN 61 far 0 65 0 - 8.2-13.1 HG LEU 29 - HE22 GLN 61 far 0 92 0 - 8.9-12.1 HG2 ARG 27 - HE22 GLN 61 far 0 63 0 - 9.2-13.1 HB3 LYS 13 - HE22 GLN 61 far 0 78 0 - 9.8-27.8 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 2.1-4.1 3.5=100 HG2 MET 31 - HE22 GLN 61 far 4 73 5 - 5.0-8.2 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 2.1-4.1 3.5=100 Violated in 1 structures by 0.01 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 4 assignments used, quality = 0.96: HB2 GLU 25 + H SER 22 OK 84 97 90 96 2.0-5.6 4153/2.9=61, 4155/3.9=34...(10) HB3 GLU 25 + H SER 22 OK 77 97 85 93 2.8-7.3 ~4153=48, 3.0/1346=30...(10) HB3 GLU 19 - H SER 22 far 0 68 0 - 6.3-10.2 HG2 PRO 36 - H SER 22 far 0 60 0 - 9.7-16.0 Violated in 2 structures by 0.05 A. Peak 4156 from nnoeabs.peaks (4.01, 8.34, 120.23 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.98: HB2 SER 22 + H ASP 24 OK 98 100 100 98 2.4-5.2 3.0/5501=67, 1.8/5320=63...(7) HA ARG 70 - H ASP 24 far 0 100 0 - 9.8-15.1 Violated in 2 structures by 0.02 A. Peak 4169 from nnoeabs.peaks (4.49, 8.13, 119.29 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.95: HA ASP 24 + H ARG 26 OK 95 100 100 95 3.7-5.1 3.6/904=72, 5383/5380=71...(8) HA ASP 67 - H ASN 74 far 0 54 0 - 8.0-12.0 Violated in 5 structures by 0.06 A. Peak 4171 from nnoeabs.peaks (0.83, 8.21, 122.47 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 64 + H ALA 28 OK 95 96 100 99 3.6-4.8 5162/2.9=64, 4173/3.0=57...(16) QD2 LEU 29 + H ALA 28 OK 89 96 100 93 3.2-4.9 550/76=52, 4839/2.9=51...(11) QG2 ILE 68 - H ALA 28 far 7 73 10 - 4.7-6.9 QD2 LEU 86 - H ARG 84 far 4 86 5 - 4.8-9.9 QD1 ILE 89 - H ARG 84 far 0 61 0 - 7.4-17.4 QG2 ILE 89 - H ARG 84 far 0 82 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 4184 from nnoeabs.peaks (4.09, 7.95, 119.22 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.84: HA ARG 26 + H LEU 29 OK 74 83 100 90 3.2-4.0 5348/546=50, 5394/547=39...(9) HA ARG 27 + H LEU 29 OK 38 65 65 90 3.9-4.8 3.6/76=52, 5387/908=35...(7) HA GLU 25 - H LEU 29 far 15 100 15 - 3.9-5.0 Violated in 0 structures by 0.00 A. Peak 4192 from nnoeabs.peaks (0.85, 7.71, 115.23 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 64 + H MET 31 OK 100 100 100 100 3.8-4.4 6121/556=76...(16) QD2 LEU 29 + H MET 31 OK 98 100 100 98 5.1-5.5 1482/5526=62, 3768/86=60...(9) Violated in 0 structures by 0.00 A. Peak 4193 from nnoeabs.peaks (3.96, 7.71, 115.23 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 28 + H MET 31 OK 99 100 100 99 3.4-4.1 4182=60, 4176/556=48...(15) HA LYS 32 + H MET 31 OK 80 83 100 96 4.2-4.7 3.0/89=71, 3.6/5544=42...(9) HA GLN 61 - H MET 31 far 0 99 0 - 6.5-8.4 HA3 GLY 18 - H MET 31 far 0 63 0 - 7.0-22.1 HA2 GLY 18 - H MET 31 far 0 60 0 - 8.4-22.3 HA THR 37 - H MET 31 far 0 81 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 4194 from nnoeabs.peaks (1.89, 7.98, 123.05 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.84: HB3 ARG 26 + H ALA 30 OK 65 99 85 77 4.0-5.9 3.0/5387=34, 5537/553=27...(8) HB2 ARG 26 + H ALA 30 OK 54 99 75 73 4.4-6.4 3.0/5387=34, 5537/553=25...(7) HB2 GLU 19 - H ALA 30 far 0 76 0 - 6.6-16.8 Violated in 5 structures by 0.12 A. Peak 4205 from nnoeabs.peaks (4.15, 7.94, 118.73 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.93: HA LEU 29 + H LYS 32 OK 76 95 100 80 2.9-4.0 5526/89=38, 1476=36...(6) HA ALA 30 + H LYS 32 OK 72 96 100 76 3.5-4.3 3.6/89=56, 2.1/5541=28...(5) HB THR 15 - H LYS 32 far 0 83 0 - 7.0-24.0 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 97 1.9-2.2 4209=69, 4215/110=26...(14) Violated in 0 structures by 0.00 A. Peak 4249 from nnoeabs.peaks (1.21, 6.31, 116.43 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.98: HG13 ILE 33 + H PHE 35 OK 98 99 100 99 5.1-5.4 3.2/4248=89, 2.1/5351=63...(8) QG2 VAL 65 - H PHE 35 far 0 100 0 - 6.0-7.0 QG2 THR 15 - H PHE 35 far 0 83 0 - 6.5-19.9 QG1 VAL 65 - H PHE 35 far 0 81 0 - 6.6-8.7 HG13 ILE 40 - H PHE 35 far 0 83 0 - 6.8-7.8 Violated in 20 structures by 0.51 A. Peak 4250 from nnoeabs.peaks (3.87, 6.31, 116.43 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 36 + H PHE 35 OK 100 100 100 100 4.7-4.7 4252/3.0=85, 4.8=78...(11) HA ILE 33 + H PHE 35 OK 88 89 100 100 3.8-3.9 3.2/4248=82, 3.8/110=54...(11) HA LEU 51 - H PHE 35 far 0 81 0 - 9.1-11.0 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 2 assignments used, quality = 0.99: HA PRO 36 + H ASP 38 OK 99 100 100 99 4.1-4.5 112/119=75, 2.3/4291=75...(7) HA ASN 80 - H ASP 38 far 0 85 0 - 8.9-36.0 Violated in 3 structures by 0.01 A. Peak 4291 from nnoeabs.peaks (2.45, 8.70, 119.49 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: HB3 PRO 36 + H ASP 38 OK 99 100 100 99 4.1-4.5 2.3/4290=66, 1.8/6126=63...(7) Violated in 19 structures by 0.12 A. Peak 4292 from nnoeabs.peaks (2.12, 8.70, 119.49 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.98: HB2 PRO 36 + H ASP 38 OK 96 98 100 98 2.4-3.0 1.8/4291=58, 2.3/4290=49...(10) HG2 PRO 36 + H ASP 38 OK 48 78 65 95 3.6-4.8 2.3/4291=53, 2.3/6126=42...(10) HG3 PRO 36 - H ASP 38 far 0 83 0 - 4.7-5.6 HB ILE 40 - H ASP 38 far 0 99 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 4294 from nnoeabs.peaks (2.11, 7.39, 117.25 ppm; 3.81 A): 3 out of 4 assignments used, quality = 1.00: HB2 PRO 36 + H LYS 39 OK 92 95 100 97 2.8-3.5 1.8/4881=40, 4867=38...(14) HG2 PRO 36 + H LYS 39 OK 83 87 100 96 2.5-3.1 2.3/4881=39, 2.3/4867=38...(16) HG3 PRO 36 + H LYS 39 OK 82 90 100 91 4.0-4.5 2.3/4881=39, 2.3/4867=38...(13) HB ILE 40 - H LYS 39 far 5 96 5 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 4295 from nnoeabs.peaks (0.81, 7.24, 115.36 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + H ILE 40 OK 99 100 100 99 3.8-5.0 5249/607=66, 4753/3.9=54...(10) QD1 LEU 43 + H ILE 40 OK 85 87 100 98 4.1-4.9 5357/3.6=50, 5111/129=46...(12) QG1 VAL 41 - H ILE 40 far 0 90 0 - 5.6-6.2 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 6 assignments used, quality = 1.00: HA THR 37 + H ILE 40 OK 100 100 100 100 3.0-3.6 4266=87, 4271/603=61...(13) HA2 GLY 72 - H ILE 40 far 0 73 0 - 6.7-8.5 HA2 GLY 18 - H ILE 40 far 0 97 0 - 8.4-19.3 HA ALA 28 - H ILE 40 far 0 85 0 - 8.6-10.4 HA3 GLY 18 - H ILE 40 far 0 97 0 - 9.1-19.8 HA3 GLY 21 - H ILE 40 far 0 96 0 - 9.6-17.0 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 99 3.0-3.9 5355/610=62, 4337/4.0=53...(12) HA LYS 39 + H VAL 41 OK 91 93 100 97 4.0-4.8 3.6/915=67, 3.0/5632=49...(9) HA ALA 20 - H VAL 41 far 0 100 0 - 7.5-19.6 HA GLU 19 - H VAL 41 far 0 99 0 - 8.8-22.1 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 3.0-4.2 5790=66, 4371/149=54...(8) HA ASP 38 + H ASN 42 OK 59 63 100 95 3.1-4.2 4337/148=51, 4333/146=47...(8) HB THR 37 - H ASN 42 far 0 63 0 - 7.1-8.6 HA ALA 20 - H ASN 42 far 0 97 0 - 8.1-20.9 HA GLU 19 - H ASN 42 far 0 99 0 - 8.6-23.3 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 6 assignments used, quality = 1.00: HA ASP 38 + HD21 ASN 42 OK 99 100 100 100 3.1-4.0 4357/1.7=61...(14) HA LYS 39 + HD21 ASN 42 OK 51 71 90 80 3.9-5.4 5790/5089=30, 6082=27...(6) HA ALA 20 - HD21 ASN 42 far 0 93 0 - 7.3-20.6 HA GLU 19 - HD21 ASN 42 far 0 87 0 - 7.4-23.0 HA ARG 17 - HD21 ASN 42 far 0 100 0 - 9.5-22.5 HA THR 15 - HD21 ASN 42 far 0 60 0 - 9.7-28.4 Violated in 0 structures by 0.00 A. Peak 4357 from nnoeabs.peaks (4.27, 6.94, 113.85 ppm; 4.40 A): 2 out of 6 assignments used, quality = 0.98: HA ASP 38 + HD22 ASN 42 OK 98 99 100 99 3.4-4.1 4356/1.7=51, 4887=45...(12) HA LYS 39 + HD22 ASN 42 OK 27 81 45 75 4.9-6.5 5790/5088=33...(5) HA GLU 19 - HD22 ASN 42 far 0 93 0 - 6.2-22.5 HA ALA 20 - HD22 ASN 42 far 0 97 0 - 6.8-20.2 HA ARG 17 - HD22 ASN 42 far 0 99 0 - 7.9-22.7 HA THR 15 - HD22 ASN 42 far 0 71 0 - 9.4-28.7 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 = 0.93: HB3 ASP 38 + HD21 ASN 42 OK 86 100 90 96 3.4-5.4 3.0/4356=39, 4359/1.7=38...(10) HB2 ASP 38 + HD21 ASN 42 OK 48 100 50 96 3.2-5.7 3.0/4356=39, ~4357=32...(10) Violated in 4 structures by 0.05 A. Peak 4359 from nnoeabs.peaks (2.63, 6.94, 113.85 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.96: HB3 ASP 38 + HD22 ASN 42 OK 85 95 95 95 2.9-5.3 3.0/4357=48, 4358/1.7=47...(8) HB2 ASP 38 + HD22 ASN 42 OK 70 93 80 94 2.9-5.5 3.0/4357=48, ~4358=37...(8) Violated in 1 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 3.9-4.1 2.1/4364=78, 2.1/4906=74...(14) QG2 ILE 40 - HD21 ASN 42 far 0 93 0 - 6.0-7.0 QG2 VAL 76 - HD21 ASN 42 far 0 76 0 - 6.0-16.7 QD2 LEU 43 - HD21 ASN 42 far 0 100 0 - 6.1-7.0 QG1 VAL 76 - HD21 ASN 42 far 0 76 0 - 7.7-15.2 HG12 ILE 68 - HD21 ASN 42 far 0 76 0 - 9.2-11.6 Violated in 0 structures by 0.00 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 3.5-3.7 4367/1.7=82, 2.1/4363=71...(14) QG2 ILE 68 - HD21 ASN 42 far 0 100 0 - 5.6-7.2 QD1 LEU 43 - HD21 ASN 42 far 0 78 0 - 6.5-7.1 QD1 ILE 68 - HD21 ASN 42 far 0 65 0 - 8.2-9.6 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 5 assignments used, quality = 0.87: HB VAL 41 + HD22 ASN 42 OK 87 87 100 100 3.5-3.7 2.1/4367=85, 2.1/4366=76...(13) HB2 GLU 19 - HD22 ASN 42 far 0 100 0 - 6.5-20.4 HB3 PRO 14 - HD22 ASN 42 far 0 71 0 - 7.4-31.6 HG12 ILE 40 - HD22 ASN 42 far 0 99 0 - 7.9-9.8 HB ILE 68 - HD22 ASN 42 far 0 92 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 4366 from nnoeabs.peaks (0.92, 6.94, 113.85 ppm; 4.77 A): 1 out of 6 assignments used, quality = 0.89: QG2 VAL 41 + HD22 ASN 42 OK 89 89 100 100 4.8-4.9 2.1/4367=85, 2.1/4365=74...(12) QG2 VAL 76 - HD22 ASN 42 far 5 100 5 - 5.2-17.5 QD2 LEU 43 - HD22 ASN 42 far 0 65 0 - 6.9-8.0 QG2 ILE 40 - HD22 ASN 42 far 0 96 0 - 7.1-8.4 QG1 VAL 76 - HD22 ASN 42 far 0 100 0 - 7.2-16.0 HG12 ILE 68 - HD22 ASN 42 far 0 100 0 - 9.7-12.5 Violated in 20 structures by 0.06 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 4.2-4.4 4364/1.7=72, 2.1/4366=62...(14) QG2 ILE 68 - HD22 ASN 42 far 0 100 0 - 6.3-8.1 QD1 LEU 43 - HD22 ASN 42 far 0 89 0 - 7.6-8.2 Violated in 14 structures by 0.03 A. Peak 4371 from nnoeabs.peaks (4.24, 7.52, 120.92 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.93: HA LYS 39 + H LEU 43 OK 93 97 100 96 3.0-4.0 6081=60, 5357/624=47...(7) HB THR 37 - H LEU 43 far 0 89 0 - 9.1-10.4 Violated in 2 structures by 0.00 A. Peak 4372 from nnoeabs.peaks (3.64, 7.52, 120.92 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: HA ILE 40 + H LEU 43 OK 97 100 100 97 3.8-4.8 5610=58, 3.6/5631=56...(7) HA ARG 69 - H LEU 43 far 0 99 0 - 6.4-7.9 HD3 PRO 14 - H LEU 43 far 0 85 0 - 6.9-33.8 Violated in 2 structures by 0.04 A. Peak 4426 from nnoeabs.peaks (4.04, 7.27, 119.22 ppm; 4.60 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + H ASP 47 OK 100 100 100 100 3.6-4.8 2.3/6063=86, 2.3/6064=82...(12) HA PHE 48 + H ASP 47 OK 96 96 100 100 5.0-5.5 3.0/171=87, 3.0/4428=58...(11) Violated in 0 structures by 0.00 A. Peak 4427 from nnoeabs.peaks (3.68, 7.27, 119.22 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 45 + H ASP 47 OK 96 97 100 100 4.3-5.1 3.5/919=72, 4451/171=58...(12) HD3 PRO 44 + H ASP 47 OK 96 96 100 100 3.3-4.9 2.3/6063=80, 3.0/4431=76...(11) Violated in 3 structures by 0.01 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 4.3-5.1 641/171=85, 177/4491=64...(11) Violated in 3 structures by 0.01 A. Peak 4429 from nnoeabs.peaks (2.88, 7.27, 119.22 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.93: HB3 PHE 48 + H ASP 47 OK 84 100 85 99 4.5-5.5 642/171=76, 1.8/4428=67...(10) HB2 ASN 49 + H ASP 47 OK 56 81 75 92 4.7-6.4 4.0/4491=51, 4488/3.6=49...(6) Violated in 12 structures by 0.04 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 2.9-3.4 2.3/6063=56, 2.3/6064=52...(16) HB VAL 45 - H ASP 47 far 0 76 0 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 4432 from nnoeabs.peaks (0.97, 7.27, 119.22 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.96: QG1 VAL 45 + H ASP 47 OK 87 87 100 100 4.3-4.6 3837/919=64, 4424=56...(14) QD2 LEU 43 + H ASP 47 OK 72 76 95 100 4.4-5.2 2.1/4933=56, 3.1/4456=51...(14) 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 = 1.00: H ASN 49 + H ASP 47 OK 96 96 100 100 4.0-4.7 4491=84, 175/171=72...(14) H VAL 45 + H ASP 47 OK 93 93 100 99 4.1-4.6 4.2/4431=60, 4.6/919=56...(10) Violated in 0 structures by 0.00 A. Peak 4451 from nnoeabs.peaks (3.69, 8.77, 123.38 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 45 + H PHE 48 OK 99 100 100 99 3.5-4.3 4455/641=52, 4866/642=52...(10) HD3 PRO 44 - H PHE 48 far 11 73 15 - 3.7-5.6 Violated in 4 structures by 0.03 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 3.8-4.6 5671=96, 922/175=80...(8) H ASN 42 - H PHE 48 far 0 100 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 4456 from nnoeabs.peaks (1.43, 7.27, 119.22 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 43 + H ASP 47 OK 100 100 100 100 4.3-5.0 4459/171=65, 4380/638=64...(13) Violated in 3 structures by 0.03 A. Peak 4457 from nnoeabs.peaks (2.06, 8.77, 123.38 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.99: HG2 PRO 44 + H PHE 48 OK 95 97 100 98 3.2-3.7 6063/171=52, 5134/174=48...(9) HB2 GLU 50 + H PHE 48 OK 86 89 100 97 4.7-5.6 4480/175=62, 3.9/4452=55...(8) HD2 ARG 69 - H PHE 48 poor 16 65 25 - 5.2-9.7 HB VAL 45 - H PHE 48 far 0 99 0 - 5.7-6.4 HD3 ARG 69 - H PHE 48 far 0 65 0 - 5.9-10.2 HB3 GLU 50 - H PHE 48 far 0 89 0 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 4458 from nnoeabs.peaks (1.73, 8.77, 123.38 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 43 + H PHE 48 OK 100 100 100 100 3.8-4.9 4368=89, 1.8/4459=86...(16) Violated in 7 structures by 0.04 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 2.8-3.6 1.8/4458=69, 4369=65...(17) HB3 LEU 52 - H PHE 48 far 0 60 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 4460 from nnoeabs.peaks (0.94, 8.77, 123.38 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 43 + H PHE 48 OK 100 100 100 100 3.7-4.8 2.1/4461=73, 5638=69...(19) QG2 ILE 40 - H PHE 48 far 0 95 0 - 6.0-6.9 QG2 VAL 41 - H PHE 48 far 0 99 0 - 8.5-9.2 QD2 LEU 62 - H PHE 48 far 0 95 0 - 8.8-10.3 QG2 VAL 76 - H PHE 48 far 0 78 0 - 8.8-19.1 QG1 VAL 76 - H PHE 48 far 0 78 0 - 9.6-18.0 Violated in 13 structures by 0.14 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 3.8-4.4 2.1/4460=75, 4468/3.0=69...(19) Violated in 3 structures by 0.00 A. Peak 4480 from nnoeabs.peaks (2.05, 8.65, 117.58 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.90: HB2 GLU 50 + H ASN 49 OK 90 99 100 91 4.7-4.9 3.9/922=66, 4.7/4490=40...(6) HD2 ARG 69 - H ASN 49 far 4 89 5 - 5.0-8.6 HG2 PRO 44 - H ASN 49 far 0 100 0 - 5.5-6.3 HD3 ARG 69 - H ASN 49 far 0 89 0 - 5.7-9.4 HB VAL 45 - H ASN 49 far 0 87 0 - 5.9-6.3 HB3 GLU 50 - H ASN 49 far 0 99 0 - 6.2-6.4 Violated in 20 structures by 0.41 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 4.1-4.7 2.1/4482=86, 3.2/4487=83...(14) Violated in 0 structures by 0.00 A. Peak 4482 from nnoeabs.peaks (0.99, 8.65, 117.58 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 45 + H ASN 49 OK 100 100 100 100 4.3-4.7 3.2/4487=74...(13) QD1 LEU 57 - H ASN 49 far 0 100 0 - 7.9-8.9 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 = 0.88: HA VAL 45 + H ASN 49 OK 88 89 100 99 3.5-3.9 4455/177=52, 3.2/4482=50...(11) 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 99 3.7-4.1 5360/648=47...(10) Violated in 13 structures by 0.08 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 3.8-4.3 4947=91, 187/922=85...(7) H ARG 54 - H ASN 49 far 0 97 0 - 8.0-8.5 H LEU 43 - H ASN 49 far 0 81 0 - 8.2-9.0 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 4.0-4.7 171/175=78, 3.6/4489=68...(14) HE ARG 54 - H ASN 49 far 0 100 0 - 6.4-11.6 Violated in 3 structures by 0.01 A. Peak 4496 from nnoeabs.peaks (4.48, 6.86, 112.13 ppm; 4.58 A): 1 out of 5 assignments used, quality = 0.98: HA ASP 46 + HD21 ASN 49 OK 98 99 100 100 2.0-5.1 5359/1.7=77, 5360/3.5=63...(6) HA TYR 81 - HE22 GLN 79 far 0 69 0 - 7.6-12.1 HA ASP 46 - HE22 GLN 79 far 0 97 0 - 7.7-35.1 HA TYR 81 - HD21 ASN 49 far 0 71 0 - 7.9-30.1 HA ASP 67 - HE22 GLN 79 far 0 97 0 - 9.0-27.4 Violated in 10 structures by 0.07 A. Peak 4497 from nnoeabs.peaks (1.06, 6.86, 112.13 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.83: QG2 VAL 45 + HD21 ASN 49 OK 83 97 85 100 2.5-5.3 4422=93, 4420/1.7=82...(11) QG2 VAL 45 - HE22 GLN 79 far 5 96 5 - 4.7-24.4 Violated in 3 structures by 0.16 A. Peak 4498 from nnoeabs.peaks (0.98, 6.86, 112.13 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 45 + HD21 ASN 49 OK 100 100 100 100 2.6-4.1 4425=99, 4423/1.7=80...(11) QG1 VAL 45 - HE22 GLN 79 far 0 99 0 - 5.3-26.8 QD1 LEU 57 - HD21 ASN 49 far 0 93 0 - 9.9-11.2 Violated in 1 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 2.0-3.9 4420=98, 4422/1.7=76...(11) Violated in 1 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 2.5-3.3 4423=97, 4425/1.7=77...(11) Violated in 0 structures by 0.00 A. Peak 4501 from nnoeabs.peaks (1.36, 7.73, 120.91 ppm; 4.83 A): 1 out of 6 assignments used, quality = 0.57: QB ALA 53 + H GLU 50 OK 57 63 95 96 4.8-5.8 4962/3.0=57, ~4549=44...(6) HB2 LEU 52 - H GLU 50 far 0 60 0 - 6.9-7.4 QB ALA 77 - H GLU 50 far 0 97 0 - 8.5-24.8 HG3 ARG 69 - H GLU 50 far 0 96 0 - 8.7-12.4 QB ALA 78 - H GLU 50 far 0 76 0 - 9.1-26.3 HB3 ARG 69 - H GLU 50 far 0 57 0 - 9.5-11.5 Violated in 19 structures by 0.49 A. Peak 4506 from nnoeabs.peaks (4.39, 7.73, 120.91 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 47 + H GLU 50 OK 98 100 100 99 3.3-3.9 4454=59, 3.0/6130=42...(9) HA MET 11 - H GLU 50 far 0 92 0 - 9.4-44.4 Violated in 1 structures by 0.00 A. Peak 4507 from nnoeabs.peaks (4.49, 7.73, 120.91 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.97: HA ASP 46 + H GLU 50 OK 97 100 100 98 4.0-5.2 4489/922=68, 4488/183=60...(5) Violated in 7 structures by 0.12 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 4.8-5.4 4943/923=75, 2.9/4501=73...(12) H ASP 47 + H GLU 50 OK 68 68 100 100 4.7-5.1 3.0/4506=87, 3.6/4507=70...(9) HE ARG 54 - H GLU 50 poor 15 76 20 - 4.1-9.2 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 3.1-3.6 4453=78, 4523/660=60...(11) HA ARG 54 - H LEU 51 far 0 87 0 - 6.6-7.2 HD2 PRO 44 - H LEU 51 far 0 96 0 - 7.0-9.0 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 2 assignments used, quality = 0.99: HA ASP 47 + H LEU 51 OK 99 100 100 99 3.7-4.5 4506/923=77, 3.6/5660=58...(8) HA MET 11 - H LEU 51 far 0 99 0 - 9.6-42.0 Violated in 0 structures by 0.00 A. Peak 4542 from nnoeabs.peaks (4.14, 7.43, 115.28 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: HA ASN 49 + H LEU 52 OK 99 99 100 100 3.6-4.1 4494=77, 4483/667=55...(8) HA ALA 53 - H LEU 52 far 0 85 0 - 5.1-5.3 Violated in 11 structures by 0.06 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 3.0-3.4 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): 2 out of 2 assignments used, quality = 0.96: H TYR 55 + H ALA 53 OK 85 85 100 100 3.7-4.3 4973=85, 210/926=73...(11) H GLU 50 + H ALA 53 OK 74 87 85 100 4.8-5.4 3.0/4549=76, 4501/2.9=48...(12) 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 3.1-3.7 5219/676=56...(13) HA LEU 62 - H ARG 54 far 0 83 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 4580 from nnoeabs.peaks (3.70, 7.69, 117.85 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.99: HD2 PRO 56 + H TYR 55 OK 99 100 100 99 4.8-4.8 4.8=59, 4.6/687=46...(10) HD3 PRO 56 - H TYR 55 far 5 100 5 - 4.7-5.1 Violated in 20 structures by 0.76 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 3.4-4.3 5143=55, 3.6/4973=51...(9) Violated in 3 structures by 0.01 A. Peak 4582 from nnoeabs.peaks (4.16, 7.69, 117.85 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.98: HA ALA 53 + H TYR 55 OK 98 99 100 99 3.6-4.5 3.6/210=75, 2.1/5732=68...(4) HA ILE 89 - H TYR 55 far 0 93 0 - 8.2-55.4 HA ASN 49 - H TYR 55 far 0 89 0 - 8.4-9.1 HA GLN 91 - H TYR 55 far 0 78 0 - 9.4-61.8 Violated in 3 structures by 0.03 A. Peak 4597 from nnoeabs.peaks (0.91, 8.15, 124.80 ppm; 4.60 A): 0 out of 6 assignments used, quality = 0.00: QD2 LEU 62 - H LEU 57 far 0 76 0 - 6.1-7.8 HG LEU 51 - H LEU 57 far 0 92 0 - 6.4-9.3 QD1 LEU 86 - H LEU 57 far 0 85 0 - 9.1-41.5 QG1 VAL 90 - H LEU 57 far 0 99 0 - 9.4-48.4 QG2 ILE 40 - H LEU 57 far 0 76 0 - 9.5-11.7 QG2 VAL 90 - H LEU 57 far 0 99 0 - 9.6-48.0 Violated in 20 structures by 1.58 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 3.0-3.5 4648=95, 711/4625=69...(14) H TYR 55 - H THR 58 far 0 97 0 - 8.3-9.2 H MET 31 - H THR 58 far 0 65 0 - 9.6-11.9 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 3.4-4.0 5368=94, 248/4625=67...(13) 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 1 assignment used, quality = 1.00: HB3 GLN 61 + H THR 58 OK 100 100 100 100 3.5-4.3 1.8/4625=86, 4654=62...(11) Violated in 6 structures by 0.05 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 1.9-2.8 1.8/4624=62, 4653=59...(15) HG3 MET 31 - H THR 58 far 0 98 0 - 8.5-11.1 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 4 assignments used, quality = 0.99: QD1 LEU 62 + H GLU 59 OK 99 99 100 100 4.1-4.7 5365/2.9=97, ~5364=67...(9) QD1 LEU 86 - H GLU 59 far 0 78 0 - 7.2-37.7 QG2 ILE 89 - H GLU 59 far 0 71 0 - 7.6-45.2 QD2 LEU 64 - H GLU 59 far 0 78 0 - 7.9-10.0 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 3.8-4.3 2.1/5091=100...(6) HG3 LYS 32 - H SER 60 far 0 97 0 - 8.5-14.3 HB2 LEU 52 - H SER 60 far 0 89 0 - 9.1-10.6 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 4.1-4.8 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 3.0-3.5 4620=77, 4625/711=59...(14) 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 1.9-4.2 4217/5763=62...(13) Violated in 0 structures by 0.00 A. Peak 4656 from nnoeabs.peaks (2.00, 7.68, 122.99 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: QE MET 31 + H GLN 61 OK 99 99 100 100 3.0-4.8 5079/3.0=90, 5081/3.6=52...(20) HB2 LEU 64 + H GLN 61 OK 70 71 100 99 5.2-6.0 4695/3.0=56, ~4696=55...(13) HG2 ARG 66 - H GLN 61 far 0 93 0 - 8.1-10.0 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 3 assignments used, quality = 1.00: QB ALA 63 + H GLN 61 OK 99 100 100 99 4.6-5.1 4995/3.6=77, 726/5780=65...(7) HB3 LEU 57 + H GLN 61 OK 80 83 100 97 4.2-5.0 4.2/4648=57, 4601/711=48...(10) HB3 LEU 52 - H GLN 61 far 0 92 0 - 9.6-11.2 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 3.8-4.8 4623=79, 2478/4648=64...(13) HG3 LYS 32 - H GLN 61 far 0 97 0 - 7.0-12.6 HB2 LEU 52 - H GLN 61 far 0 87 0 - 7.9-9.5 QB ALA 28 - H GLN 61 far 0 81 0 - 9.2-10.6 Violated in 12 structures by 0.06 A. Peak 4659 from nnoeabs.peaks (0.71, 7.68, 122.99 ppm; 4.60 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H GLN 61 OK 100 100 100 100 4.4-5.0 4602/711=60, 4985/4.0=60...(16) QD1 ILE 33 + H GLN 61 OK 75 100 75 99 4.7-5.6 4222/4.0=68, 4224/714=57...(14) Violated in 0 structures by 0.00 A. Peak 4667 from nnoeabs.peaks (1.76, 7.46, 111.22 ppm; 4.25 A): 4 out of 8 assignments used, quality = 0.95: HB2 LYS 32 + HE21 GLN 61 OK 79 97 90 91 2.9-5.3 6065=32, 4670/1.7=28...(12) HB3 LYS 32 + HE21 GLN 61 OK 48 97 55 91 3.6-6.2 1.8/6065=31, 6065=29...(12) HB ILE 33 + HE21 GLN 61 OK 34 99 35 99 4.5-6.4 3.0/5762=52, 2.1/5549=40...(14) HG2 PRO 34 + HE21 GLN 61 OK 28 100 30 94 3.9-6.7 2.3/5764=45, ~4655=43...(9) HB2 PRO 34 - HE21 GLN 61 far 4 89 5 - 5.0-8.7 HB2 LEU 57 - HE21 GLN 61 far 0 100 0 - 6.0-8.4 HB2 LEU 62 - HE21 GLN 61 far 0 90 0 - 7.4-9.5 HB2 LYS 13 - HE21 GLN 61 far 0 65 0 - 9.7-25.8 Violated in 0 structures by 0.00 A. Peak 4668 from nnoeabs.peaks (1.31, 7.46, 111.22 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.60: HG2 LYS 32 + HE21 GLN 61 OK 30 76 45 88 4.9-7.2 2.9/6065=38, 2.9/6065=34...(8) QG2 THR 58 + HE21 GLN 61 OK 25 99 25 100 4.7-7.3 5755=88, 5230/3.5=71...(7) HG3 LYS 32 + HE21 GLN 61 OK 25 78 35 89 4.5-7.4 4671/1.7=41, 2.9/6065=38...(8) HB2 LEU 52 - HE21 GLN 61 far 0 60 0 - 9.4-11.6 Violated in 10 structures by 0.21 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 99 100 100 100 1.9-4.0 4213/1.7=60, 4210=57...(17) QD2 LEU 57 + HE21 GLN 61 OK 99 100 100 99 2.4-4.4 4988=44, 4672/1.7=38...(15) Violated in 0 structures by 0.00 A. Peak 4670 from nnoeabs.peaks (1.76, 6.83, 111.22 ppm; 4.15 A): 3 out of 7 assignments used, quality = 0.96: HG2 PRO 34 + HE22 GLN 61 OK 70 100 75 94 3.8-6.0 2.3/4655=56, ~5764=34...(11) HB2 LYS 32 + HE22 GLN 61 OK 70 90 90 86 2.3-5.5 4667/1.7=31, 2.9/4671=23...(11) HB3 LYS 32 + HE22 GLN 61 OK 54 90 70 86 3.7-6.9 6065/1.7=24, 2.9/4671=23...(11) HB ILE 33 - HE22 GLN 61 far 10 97 10 - 4.7-6.9 HB2 PRO 34 - HE22 GLN 61 far 0 78 0 - 5.7-8.1 HB2 LEU 57 - HE22 GLN 61 far 0 98 0 - 5.7-8.2 HB2 LEU 62 - HE22 GLN 61 far 0 97 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 4671 from nnoeabs.peaks (1.31, 6.83, 111.22 ppm; 4.98 A): 2 out of 6 assignments used, quality = 0.43: QG2 THR 58 + HE22 GLN 61 OK 25 100 25 99 4.4-7.9 5755/1.7=72, 5230/3.5=68...(7) HG3 LYS 32 + HE22 GLN 61 OK 24 90 30 88 4.3-8.5 2.9/4670=29, ~6065=27...(9) HG2 LYS 32 - HE22 GLN 61 poor 18 60 30 - 4.7-7.6 QB ALA 28 - HE22 GLN 61 far 0 68 0 - 5.9-8.2 QB ALA 12 - HE22 GLN 61 far 0 83 0 - 9.2-25.8 HB2 LEU 52 - HE22 GLN 61 far 0 76 0 - 9.5-11.9 Violated in 18 structures by 0.60 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 2.3-4.5 4988/1.7=43, 4985/4.6=37...(19) QD1 ILE 33 + HE22 GLN 61 OK 96 97 100 100 2.1-3.7 4213=58, 4224/3.5=52...(19) Violated in 0 structures by 0.00 A. Peak 4673 from nnoeabs.peaks (0.71, 8.82, 120.20 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H LEU 62 OK 100 100 100 100 4.1-4.6 4985/249=57, 4602/248=57...(19) QD1 ILE 33 + H LEU 62 OK 82 100 85 97 4.6-5.7 4222/4.6=57, 4227/3.6=37...(11) 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 99 3.6-3.9 4645=69, 4637/719=57...(6) HA ALA 63 - H LEU 62 far 0 100 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 4685 from nnoeabs.peaks (1.97, 7.98, 119.93 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 64 + H ALA 63 OK 99 100 100 99 4.4-4.9 2619/934=75, 266/5779=58...(9) QE MET 31 + H ALA 63 OK 34 89 45 86 4.7-6.1 5082/934=56...(5) HG LEU 57 - H ALA 63 far 0 87 0 - 8.4-9.1 Violated in 2 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 99 100 100 100 3.2-3.8 4941=51, 5079/5082=51...(12) HA ARG 66 - H LEU 64 far 0 92 0 - 6.8-7.3 HA ALA 28 - H LEU 64 far 0 100 0 - 7.6-8.5 HA THR 37 - H LEU 64 far 0 68 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 4690 from nnoeabs.peaks (4.27, 7.98, 119.93 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.95: HA SER 60 + H ALA 63 OK 95 98 100 97 3.8-4.1 4647=74, 4995/726=67...(7) HA LEU 64 - H ALA 63 far 0 98 0 - 5.2-5.5 Violated in 20 structures by 0.18 A. Peak 4697 from nnoeabs.peaks (1.22, 7.42, 119.17 ppm; 4.49 A): 1 out of 6 assignments used, quality = 0.99: QG2 VAL 65 + H LEU 64 OK 99 99 100 100 3.5-5.2 2669/264=78, 2.1/4698=58...(12) QG1 VAL 65 - H LEU 64 far 5 93 5 - 4.7-6.0 HG13 ILE 33 - H LEU 64 far 0 100 0 - 6.6-7.6 HG13 ILE 40 - H LEU 64 far 0 95 0 - 8.9-11.1 HG2 ARG 69 - H LEU 64 far 0 78 0 - 9.5-12.6 HG LEU 52 - H LEU 64 far 0 76 0 - 9.5-10.7 Violated in 3 structures by 0.07 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 4.1-5.3 2.1/4697=90, 3.8/264=85...(6) HG2 GLU 59 - H LEU 64 far 0 71 0 - 7.1-10.0 Violated in 10 structures by 0.03 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 98 3.8-4.4 4.6/271=56, 4693/3.6=50...(11) H ALA 63 + H VAL 65 OK 73 73 100 99 3.8-4.3 5779=63, 3.6/4674=58...(8) H ARG 69 - H VAL 65 far 0 60 0 - 6.0-6.7 H ARG 70 - H VAL 65 far 0 100 0 - 7.8-8.9 H LYS 32 - H VAL 65 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4720 from nnoeabs.peaks (3.94, 8.38, 117.58 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 62 + H VAL 65 OK 92 92 100 100 3.1-3.8 4674=67, 4722/2669=60...(11) HA GLN 61 + H VAL 65 OK 63 68 100 92 3.8-4.7 4695/266=34, 4.7/4674=33...(10) HA ALA 28 - H VAL 65 far 0 85 0 - 6.8-8.0 HA THR 37 - H VAL 65 far 0 100 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 4732 from nnoeabs.peaks (0.92, 8.59, 117.85 ppm; 4.70 A): 2 out of 7 assignments used, quality = 0.97: QD2 LEU 62 + H ARG 66 OK 84 93 100 90 3.5-5.5 2593/4675=53...(9) QG2 ILE 40 + H ARG 66 OK 81 93 100 87 4.5-5.5 5034/4.1=53...(5) HG12 ILE 68 - H ARG 66 far 0 100 0 - 6.8-8.0 QG2 VAL 41 - H ARG 66 far 0 85 0 - 7.8-8.8 HG LEU 51 - H ARG 66 far 0 73 0 - 7.8-10.8 QD1 LEU 86 - H ARG 66 far 0 63 0 - 9.0-33.8 QG2 VAL 76 - H ARG 66 far 0 100 0 - 9.8-18.6 Violated in 0 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 3.3-3.8 4693=94, 4738/749=60...(11) HA SER 60 - H ASP 67 far 0 81 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4741 from nnoeabs.peaks (0.95, 7.93, 121.56 ppm; 4.67 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 64 + H ASP 67 OK 100 100 100 100 4.3-5.5 2648/4737=74...(11) QG2 ILE 40 + H ASP 67 OK 44 71 80 77 4.6-6.1 5616/284=40...(10) QD2 LEU 62 - H ASP 67 far 4 71 5 - 5.5-7.8 QG2 VAL 41 - H ASP 67 far 0 83 0 - 7.0-8.1 Violated in 1 structures by 0.01 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 3.2-3.7 5313=87, 4761/2777=48...(15) HA ARG 69 - H ILE 68 far 0 100 0 - 5.0-5.4 HA ILE 40 - H ILE 68 far 0 100 0 - 7.1-9.0 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 3.2-3.9 5049/770=40, 3.6/5826=39...(11) HA ASP 24 - H ARG 70 far 0 85 0 - 7.8-12.5 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 11 assignments used, quality = 0.99: HB3 MET 11 + H ALA 12 OK 99 99 100 100 2.0-4.0 4.1=100 HB VAL 90 + H VAL 90 OK 53 53 100 100 2.7-3.6 3.9=100 HB3 GLN 91 - H VAL 90 poor 9 30 30 - 4.5-7.5 HG3 PRO 14 - H ALA 12 far 0 57 0 - 6.6-9.9 HB2 GLU 87 - H VAL 90 far 0 42 0 - 6.6-11.1 HG LEU 43 - H ALA 12 far 0 68 0 - 7.0-38.7 HG2 PRO 14 - H ALA 12 far 0 57 0 - 7.4-10.0 HB3 PRO 56 - H VAL 90 far 0 42 0 - 7.4-60.2 HB2 GLU 50 - H ALA 12 far 0 68 0 - 8.4-42.6 HB3 GLU 50 - H ALA 12 far 0 68 0 - 9.3-42.2 HG2 PRO 56 - H VAL 90 far 0 34 0 - 9.8-60.4 Violated in 0 structures by 0.00 A. Peak 4822 from nnoeabs.peaks (4.28, 8.40, 110.03 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 17 + H GLY 18 OK 100 100 100 100 2.1-3.6 3.6=100 HA GLU 19 + H GLY 18 OK 20 81 55 45 4.6-6.3 ~24=13, ~25=13...(10) HA ALA 20 - H GLY 18 far 0 89 0 - 6.0-8.7 HA ASP 38 - H GLY 18 far 0 100 0 - 8.3-18.7 HA LYS 39 - H GLY 18 far 0 63 0 - 10.0-20.5 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 2.4-3.0 3.0=100 HA2 GLY 21 - H GLY 18 far 0 73 0 - 7.0-12.6 HA3 GLY 21 - H GLY 18 far 0 76 0 - 8.3-12.0 HA ALA 28 - H GLY 18 far 0 57 0 - 8.6-19.0 HA THR 37 - H GLY 18 far 0 99 0 - 9.3-15.9 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 2.4-3.0 3.0=100 HA2 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 21 - H GLY 18 far 0 76 0 - 7.0-12.6 HA3 GLY 21 - H GLY 18 far 0 78 0 - 8.3-12.0 HA ALA 28 - H GLY 18 far 0 60 0 - 8.6-19.0 HA THR 37 - H GLY 18 far 0 99 0 - 9.3-15.9 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 2.1-4.5 4.3=100 HB2 LYS 39 - H GLY 18 far 0 93 0 - 8.9-18.6 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 5 assignments used, quality = 0.98: HB3 ARG 17 + H GLY 18 OK 98 98 100 100 2.0-4.2 4.3=100 HG3 ARG 26 - H GLY 18 far 5 100 5 - 6.7-16.1 HB ILE 33 - H GLY 18 far 5 90 5 - 7.4-19.9 HB3 LYS 32 - H GLY 18 far 0 81 0 - 7.6-24.7 HB2 LYS 32 - H GLY 18 far 0 81 0 - 8.8-24.9 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 5 assignments used, quality = 1.00: HG3 ARG 17 + H GLY 18 OK 96 96 100 100 2.6-5.4 5.0=100 HG2 ARG 17 + H GLY 18 OK 95 95 100 100 2.2-4.8 5.0=100 HG2 ARG 26 - H GLY 18 far 0 97 0 - 7.8-17.5 HD2 LYS 32 - H GLY 18 far 0 81 0 - 8.9-25.9 HD3 LYS 32 - H GLY 18 far 0 85 0 - 9.2-24.5 Violated in 0 structures by 0.00 A. Peak 4833 from nnoeabs.peaks (1.88, 8.20, 121.35 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.78: HB2 ARG 26 + H GLU 25 OK 69 100 95 72 4.8-6.4 3.9/904=64, 3.0/3757=12...(4) HB2 ARG 27 + H GLU 25 OK 31 71 85 51 4.4-6.0 4157/3.6=29, 5506/53=13...(6) HB3 ARG 26 - H GLU 25 far 5 100 5 - 5.2-6.5 HB3 ARG 71 - H GLU 25 far 4 73 5 - 5.4-11.2 HB3 ARG 27 - H GLU 25 far 0 73 0 - 5.6-7.6 HB2 ARG 71 - H GLU 25 far 0 71 0 - 5.6-10.8 HB ILE 68 - H GLU 25 far 0 85 0 - 7.6-10.2 HG12 ILE 40 - H GLU 25 far 0 65 0 - 8.5-12.9 Violated in 4 structures by 0.01 A. Peak 4841 from nnoeabs.peaks (3.97, 7.98, 123.05 ppm; 5.01 A): 2 out of 5 assignments used, quality = 0.99: HA ALA 28 + H ALA 30 OK 96 97 100 100 4.4-5.2 3.6/908=95, 2.1/5535=82...(6) HA LYS 32 + H ALA 30 OK 57 99 85 68 5.6-6.2 4193/86=30, 5543/553=25...(4) HA GLN 61 - H ALA 30 far 0 100 0 - 9.1-10.9 HA3 GLY 21 - H ALA 30 far 0 87 0 - 9.1-14.5 HA2 GLY 21 - H ALA 30 far 0 89 0 - 9.3-14.2 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 99 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; 4.90 A): 2 out of 5 assignments used, quality = 1.00: HA THR 37 + H VAL 41 OK 100 100 100 100 4.5-5.5 5588=82, 4271/139=78...(11) HA2 GLY 72 + H VAL 41 OK 50 73 75 91 4.9-6.6 4339/4.0=61, 4796/4.0=47...(6) HA3 GLY 21 - H VAL 41 far 0 96 0 - 8.8-17.2 HA VAL 76 - H VAL 41 far 0 60 0 - 9.0-18.3 HA3 GLY 18 - H VAL 41 far 0 97 0 - 9.5-22.0 Violated in 1 structures by 0.01 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 2.3-2.6 2.1/4364=78, 2.1/4363=75...(13) HB2 GLU 19 - HD21 ASN 42 far 0 65 0 - 7.6-21.0 Violated in 0 structures by 0.00 A. Peak 4933 from nnoeabs.peaks (0.83, 7.27, 119.22 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + H ASP 47 OK 100 100 100 100 5.2-5.7 2.1/4918=74, 4914/637=72...(12) Violated in 20 structures by 0.53 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 4.0-4.4 200/924=70, 4549/3.6=60...(13) HE ARG 54 - H LEU 51 poor 12 60 20 - 3.4-7.8 H ILE 40 - H LEU 51 far 0 99 0 - 9.3-10.5 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 3.8-4.3 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 5 assignments used, quality = 0.94: HB2 ARG 54 + H ALA 53 OK 94 95 100 100 4.1-4.6 2307/926=84, 5307=63...(11) HB2 LEU 57 - H ALA 53 far 5 96 5 - 5.6-7.2 HG2 PRO 34 - H ALA 53 far 0 85 0 - 8.9-10.2 HB2 PRO 34 - H ALA 53 far 0 100 0 - 9.4-12.0 HB3 LYS 39 - H ALA 53 far 0 100 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 4964 from nnoeabs.peaks (1.60, 7.22, 117.09 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.93: HB3 LEU 51 + H ALA 53 OK 83 100 85 98 4.8-5.5 196/200=76, 660/4943=56...(9) HG3 ARG 54 + H ALA 53 OK 55 63 90 97 4.0-5.5 3.0/4963=57, 4.9/926=55...(9) HB3 LEU 62 - H ALA 53 far 0 90 0 - 8.0-10.4 HD3 LYS 39 - H ALA 53 far 0 78 0 - 9.2-13.0 HG3 ARG 84 - H ALA 53 far 0 97 0 - 9.7-41.8 HD2 LYS 39 - H ALA 53 far 0 81 0 - 9.7-13.0 Violated in 13 structures by 0.02 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 4.3-5.2 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 3.6-4.9 3.6/926=79, 4581/210=46...(9) Violated in 6 structures by 0.04 A. Peak 4973 from nnoeabs.peaks (7.22, 7.69, 117.85 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: H ALA 53 + H TYR 55 OK 100 100 100 100 3.7-4.3 926/210=85, 3.0/4582=63...(10) 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 = 0.95: QE PHE 35 + H TYR 55 OK 95 100 95 100 5.1-5.9 4628/687=81, 4572/684=74...(9) HZ PHE 35 - H TYR 55 far 0 100 0 - 6.6-7.4 Violated in 20 structures by 0.58 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 4.0-4.7 5801=97, 271/264=88...(8) 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 3.5-4.3 4691=62, 3.6/5801=51...(13) 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 4.0-5.0 3.6/271=89, 5789=83...(8) HA SER 60 - H ARG 66 far 0 73 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 5046 from nnoeabs.peaks (1.24, 8.44, 120.04 ppm; 4.76 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 65 + H ILE 68 OK 99 100 100 99 4.1-4.8 3.2/4747=76, 4.1/5812=55...(11) QG2 VAL 65 + H ILE 68 OK 69 71 100 98 4.8-5.4 3.2/4747=76, 4.1/5812=55...(10) HG2 ARG 69 - H ILE 68 far 10 100 10 - 5.2-7.4 HG13 ILE 40 - H ILE 68 far 0 99 0 - 6.4-8.2 HG13 ILE 33 - H ILE 68 far 0 87 0 - 7.3-8.7 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 2.1-3.9 4335/3.0=65, 4796/3.0=57...(21) QG2 ILE 40 - H GLY 72 far 5 99 5 - 4.9-6.6 HG12 ILE 68 - H GLY 72 far 0 92 0 - 5.8-7.1 QG1 VAL 76 - H GLY 72 far 0 92 0 - 6.4-11.3 QG2 VAL 76 - H GLY 72 far 0 92 0 - 7.2-13.0 QD1 LEU 64 - H GLY 72 far 0 85 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 5056 from nnoeabs.peaks (0.80, 7.99, 106.73 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 41 + H GLY 72 OK 98 98 100 100 3.0-4.9 2.1/5055=69, 4338/3.0=61...(17) QG2 ILE 68 + H GLY 72 OK 94 100 100 95 3.5-4.6 3936=46, 3.2/5845=44...(14) QD1 ILE 68 - H GLY 72 far 0 73 0 - 6.4-7.2 QD1 LEU 43 - H GLY 72 far 0 71 0 - 9.9-11.2 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 2.3-3.9 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): 3 out of 8 assignments used, quality = 0.99: QB ALA 77 + H VAL 76 OK 95 97 100 98 3.5-5.2 2.9/5411=74, 5435/3.0=44...(11) HG3 LYS 75 + H VAL 76 OK 57 71 80 100 3.8-5.8 2.7/340=81, 4.9=73...(11) HG2 LYS 75 + H VAL 76 OK 42 71 60 100 2.5-5.8 2.7/340=81, 4.9=73...(11) HG3 LYS 73 - H VAL 76 poor 19 76 25 - 3.5-11.3 QB ALA 20 - H VAL 76 far 5 95 5 - 3.7-24.1 QB ALA 78 - H VAL 76 far 4 76 5 - 5.1-8.2 HG3 ARG 69 - H VAL 76 far 0 96 0 - 6.5-13.3 HB3 ARG 69 - H VAL 76 far 0 57 0 - 8.4-14.6 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 2.4-5.7 1.8/5085=95, 5498/523=61...(7) Violated in 2 structures by 0.01 A. Peak 5085 from nnoeabs.peaks (4.03, 8.20, 121.35 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.79: HB2 SER 22 + H GLU 25 OK 79 85 100 93 2.4-5.2 1.8/5084=61, 1252=40...(6) Violated in 2 structures by 0.04 A. Peak 5086 from nnoeabs.peaks (1.33, 7.71, 115.23 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 28 + H MET 31 OK 95 96 100 100 4.4-4.9 2.1/4182=68, 5535/86=57...(13) HG3 LYS 32 + H MET 31 OK 74 100 85 87 5.1-5.6 565/89=72, 2.9/6119=34...(4) QG2 THR 58 - H MET 31 far 0 93 0 - 8.2-12.0 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 3.5-3.8 5089/1.7=80, 618=69...(10) 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 1.9-2.1 5088/1.7=74, 144=49...(11) 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 2.0-4.0 3.0/4625=78, 3.0/4624=71...(10) HG2 MET 31 - H THR 58 far 0 100 0 - 8.3-10.7 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 2.2-3.2 234/4.7=37, 2.1/4643=28 HA LEU 57 - H SER 60 far 0 100 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 5122 from nnoeabs.peaks (6.94, 7.24, 115.36 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 35 + H ILE 40 OK 99 99 100 100 4.7-5.5 2.2/4657=82, 5121/3.0=61...(9) HD22 ASN 42 - H ILE 40 far 0 100 0 - 6.0-6.9 HZ PHE 35 - H ILE 40 far 0 99 0 - 7.1-7.9 HZ PHE 48 - H ILE 40 far 0 97 0 - 8.3-8.8 Violated in 18 structures by 0.25 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 3.3-4.5 5188=91, 4183/5303=51...(6) HA ALA 30 - H ILE 33 far 0 87 0 - 5.8-7.5 HB THR 15 - H ILE 33 far 0 93 0 - 8.9-22.5 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 = 0.99: HB2 MET 31 + H ILE 33 OK 99 100 100 99 3.0-4.9 3.0/5556=71, 556/5544=68...(7) HG LEU 57 - H ILE 33 far 0 92 0 - 8.0-9.2 HG13 ILE 68 - H ILE 33 far 0 90 0 - 9.0-10.9 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 3 assignments used, quality = 0.98: HA PHE 48 + H LEU 52 OK 98 99 100 100 4.1-4.8 4523/196=71, 4525/924=70...(8) HA ARG 54 - H LEU 52 far 0 95 0 - 6.4-6.8 HD2 PRO 44 - H LEU 52 far 0 89 0 - 9.4-11.4 Violated in 3 structures by 0.01 A. Peak 5235 from nnoeabs.peaks (1.48, 8.82, 120.20 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 63 + H LEU 62 OK 98 100 100 98 4.4-4.5 726/933=72, 5787=51...(8) HB3 LEU 57 + H LEU 62 OK 91 92 100 100 2.9-3.4 1.8/4618=38, 4.2/5368=38...(19) HB3 LEU 52 - H LEU 62 far 0 97 0 - 7.3-8.7 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 2.7-4.3 2.1/5264=76, 5402/3.0=70...(19) QG2 ILE 40 - H LYS 73 far 5 100 5 - 5.1-7.0 QG2 VAL 76 - H LYS 73 far 5 93 5 - 5.0-11.4 QG1 VAL 76 - H LYS 73 far 0 93 0 - 5.8-9.7 HG12 ILE 68 - H LYS 73 far 0 93 0 - 8.1-9.1 QD1 LEU 64 - H LYS 73 far 0 83 0 - 9.3-11.1 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 2.0-3.8 2.1/5263=71, 5403/3.0=67...(21) QG2 ILE 68 - H LYS 73 far 15 99 15 - 5.1-5.9 QD1 ILE 68 - H LYS 73 far 0 83 0 - 8.0-8.7 QD1 LEU 43 - H LYS 73 far 0 60 0 - 9.5-10.8 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 2 assignments used, quality = 1.00: * HE22 GLN 79 + HE21 GLN 79 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 49 - HE21 GLN 79 far 0 100 0 - 3.9-30.7 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 1.9-4.0 2.1/5269=79, 4.9=75...(7) QD2 LEU 86 - H ILE 89 far 15 100 15 - 4.5-9.4 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 2.5-4.0 4.5=76, 2.9/877=72...(4) HG3 LYS 85 - H ILE 89 far 0 99 0 - 7.6-15.3 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 3 assignments used, quality = 0.98: HB2 GLU 87 + H THR 88 OK 98 98 100 100 2.1-4.6 4.6=100 HB3 GLN 91 - H THR 88 far 4 87 5 - 5.1-13.8 HB VAL 90 - H THR 88 far 0 100 0 - 6.5-8.7 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 4 assignments used, quality = 0.92: HB ILE 89 + H VAL 90 OK 92 92 100 100 2.2-4.5 4.4=100 HB2 LYS 13 - H ALA 12 far 2 40 5 - 5.9-7.6 HB3 LYS 39 - H ALA 12 far 0 30 0 - 8.4-35.9 HB2 LYS 85 - H VAL 90 far 0 99 0 - 9.3-15.2 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; 5.34 A): 2 out of 9 assignments used, quality = 0.93: HD2 ARG 23 + H ASP 24 OK 77 95 100 82 3.9-6.2 3.5/44=44, 3.5/45=43...(4) HD3 ARG 23 + H ASP 24 OK 69 95 90 81 3.9-6.5 3.5/44=44, 3.5/45=43...(4) HD2 ARG 27 - H ASP 24 poor 20 98 20 - 4.7-8.6 HD3 ARG 27 - H ASP 24 far 15 98 15 - 5.1-8.4 HD3 ARG 71 - H ASP 24 lone 1 78 35 2 4.4-12.0 HD2 ARG 26 - H ASP 24 far 0 100 0 - 6.6-8.9 HD3 ARG 26 - H ASP 24 far 0 100 0 - 6.7-9.0 HD3 ARG 70 - H ASP 24 far 0 68 0 - 8.6-15.6 HD2 ARG 70 - H ASP 24 far 0 63 0 - 9.9-16.1 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 = 0.69: HA LEU 57 + HE22 GLN 61 OK 69 83 95 87 3.3-6.3 6101/4.6=58, 4.0/4672=40...(5) HB THR 58 - HE22 GLN 61 far 0 78 0 - 7.0-9.8 Violated in 2 structures by 0.05 A. Peak 5345 from nnoeabs.peaks (4.13, 8.13, 119.29 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.62: HA ARG 23 + H ARG 26 OK 62 99 100 63 3.3-4.1 5341=49, 5344/3.9=10...(7) HA ARG 27 - H ARG 26 far 0 87 0 - 5.1-5.3 HA LEU 29 - H ARG 26 far 0 65 0 - 7.4-7.9 HA ALA 30 - H ARG 26 far 0 100 0 - 8.2-9.4 Violated in 2 structures by 0.01 A. Peak 5347 from nnoeabs.peaks (4.09, 8.21, 122.47 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.98: HA GLU 25 + H ALA 28 OK 89 100 100 89 3.1-3.7 4181/2.9=57, 1328=20...(13) HA ARG 27 + H ALA 28 OK 78 78 100 100 3.4-3.5 3.6=99, 3.0/71=28...(13) HA ARG 26 + H ALA 28 OK 34 71 85 56 3.8-4.7 4184/76=30, 5387/5538=12...(6) 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 = 0.94: HA ASP 46 + HD22 ASN 49 OK 94 100 95 99 2.2-5.2 4496/1.7=63...(6) Violated in 3 structures by 0.12 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 3.4-4.0 4621=82, 4625/248=65...(13) 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 6 assignments used, quality = 0.95: HA ARG 66 + H ARG 69 OK 95 100 100 95 3.3-4.0 5378=48, 5047/760=48...(11) HA ARG 70 - H ARG 69 far 0 76 0 - 5.0-5.4 HA2 GLY 72 - H ARG 69 far 0 90 0 - 5.2-7.2 HA ALA 28 - H ARG 69 far 0 81 0 - 9.2-10.7 HA VAL 76 - H ARG 69 far 0 97 0 - 9.3-16.9 HA3 GLY 21 - H ARG 69 far 0 63 0 - 9.4-18.7 Violated in 2 structures by 0.01 A. Peak 5380 from nnoeabs.peaks (8.13, 8.18, 120.59 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.82: H ARG 26 + H ARG 27 OK 82 100 100 83 2.5-2.8 4.6=30, 1390/65=21...(14) H ARG 71 - H ARG 27 far 0 81 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 5382 from nnoeabs.peaks (3.17, 8.18, 120.59 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: HD2 ARG 27 + H ARG 27 OK 98 100 100 99 3.7-5.4 6.3=39, 3.0/538=32...(20) HD3 ARG 27 + H ARG 27 OK 89 100 90 99 3.2-5.8 6.3=39, 3.0/538=32...(20) HD3 ARG 26 - H ARG 27 poor 20 100 20 - 4.5-6.7 HD2 ARG 26 - H ARG 27 far 5 100 5 - 4.1-6.6 HD3 ARG 23 - H ARG 27 far 5 99 5 - 5.4-9.9 HD2 ARG 23 - H ARG 27 far 0 99 0 - 6.1-9.4 HD3 ARG 71 - H ARG 27 far 0 65 0 - 7.1-13.9 Violated in 1 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 = 0.93: HA ASP 24 + H ARG 27 OK 93 99 100 94 3.2-3.7 5384=55, 4169/5380=49...(12) Violated in 0 structures by 0.00 A. Peak 5387 from nnoeabs.peaks (4.09, 7.98, 123.05 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.89: HA ARG 27 + H ALA 30 OK 76 78 100 97 3.2-4.0 5388/553=74, 3.6/5538=37...(12) HA ARG 26 + H ALA 30 OK 53 71 80 94 3.4-5.0 4184/908=43...(11) HA GLU 25 - H ALA 30 far 0 100 0 - 6.2-7.2 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 2.9-4.3 5815=92, 3.6/5825=59...(12) 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=41...(16) H LYS 75 - H ARG 70 far 0 92 0 - 6.0-10.6 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 = 0.96: * H ARG 71 + H GLY 72 OK 96 100 100 96 2.3-2.9 942=43, 779/5.0=27...(16) H LYS 75 - H GLY 72 far 0 92 0 - 5.4-9.3 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 = 1.00: H VAL 76 + H LYS 75 OK 100 100 100 100 2.0-4.4 339/3.0=84, 4.6=83...(13) H ARG 70 - H LYS 75 far 0 99 0 - 6.0-10.6 H ARG 69 - H LYS 75 far 0 73 0 - 8.1-12.5 Violated in 6 structures by 0.02 A. Peak 5411 from nnoeabs.peaks (8.23, 7.96, 120.67 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: H ALA 77 + H VAL 76 OK 100 100 100 100 1.9-4.3 5433=99, 349/3.0=71...(10) H GLN 79 - H VAL 76 far 0 97 0 - 6.4-10.2 H SER 22 - H VAL 76 far 0 92 0 - 9.1-25.4 Violated in 13 structures by 0.19 A. Peak 5414 from nnoeabs.peaks (1.99, 8.22, 118.71 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.96: HB3 GLN 79 + H GLN 79 OK 91 100 100 91 2.1-3.9 4.0=80, 3.0/5415=24...(5) HB2 GLN 79 + H GLN 79 OK 57 63 100 91 2.2-3.9 4.0=80, 3.0/5415=24...(5) HG2 PRO 14 - H GLN 79 far 5 97 5 - 2.7-55.3 HG3 PRO 14 - H GLN 79 far 5 97 5 - 3.4-56.4 Violated in 0 structures by 0.00 A. Peak 5415 from nnoeabs.peaks (2.32, 8.22, 118.71 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 79 + H GLN 79 OK 98 100 100 98 2.0-4.6 5.1=59, 3.0/824=44...(10) HG3 GLN 79 + H GLN 79 OK 97 100 100 98 1.9-4.7 5.1=59, 3.0/824=44...(9) 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 3 assignments used, quality = 1.00: * HB2 ASN 80 + H ASN 80 OK 100 100 100 100 2.1-3.7 3.8=100 HB2 ASP 46 - H ASN 80 far 0 100 0 - 7.6-31.5 HB3 ASN 49 - H ASN 80 far 0 71 0 - 9.2-29.0 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 4 assignments used, quality = 1.00: * HB3 ASN 80 + H ASN 80 OK 100 100 100 100 2.4-4.1 3.8=100 HB3 ASN 74 - H ASN 80 far 0 71 0 - 9.2-18.5 HB2 ASN 42 - H ASN 80 far 0 100 0 - 9.3-31.2 HB3 ASN 42 - H ASN 80 far 0 100 0 - 9.9-30.7 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 6 assignments used, quality = 1.00: HB2 GLN 79 + H ASN 80 OK 97 97 100 100 2.0-4.7 4.2=100 HB3 GLN 79 + H ASN 80 OK 87 87 100 100 2.0-4.6 4.2=100 HG2 PRO 14 - H ASN 80 far 5 99 5 - 4.7-58.8 HG3 PRO 14 - H ASN 80 far 5 99 5 - 5.4-59.8 HB2 ARG 70 - H ASN 80 far 0 78 0 - 7.1-23.5 HB3 ARG 70 - H ASN 80 far 0 78 0 - 8.5-21.9 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 3 assignments used, quality = 1.00: * HA GLN 79 + H ASN 80 OK 100 100 100 100 2.2-3.6 3.6=100 HA ALA 78 + H ASN 80 OK 41 98 80 52 3.1-6.7 15882/4.7=34...(4) HA ARG 82 - H ASN 80 far 0 81 0 - 6.9-9.3 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 3 assignments used, quality = 0.98: * HA ASN 80 + H ASN 80 OK 98 98 100 100 2.3-2.9 3.0=100 HA ASN 74 - H ASN 80 far 0 100 0 - 7.9-19.3 HA PRO 36 - H ASN 80 far 0 99 0 - 9.4-37.9 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): 0 out of 4 assignments used, quality = 0.00: HA LYS 73 - H VAL 76 poor 19 100 25 76 4.0-9.9 15432/813=68...(4) HA ALA 78 - H VAL 76 far 0 65 0 - 6.4-8.8 HA GLN 79 - H VAL 76 far 0 87 0 - 8.4-11.2 HB THR 15 - H VAL 76 far 0 96 0 - 9.4-41.5 Violated in 17 structures by 1.32 A. Peak 5433 from nnoeabs.peaks (7.96, 8.23, 126.87 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: H VAL 76 + H ALA 77 OK 100 100 100 100 1.9-4.3 5411=100, 3.0/349=72...(10) H ARG 70 - H ALA 77 far 0 96 0 - 7.1-15.4 H GLY 72 - H ALA 77 far 0 68 0 - 8.0-15.5 H ARG 69 - H ALA 77 far 0 87 0 - 9.1-18.2 Violated in 13 structures by 0.18 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 2 assignments used, quality = 1.00: * HE21 GLN 79 + HE22 GLN 79 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 79 - HD21 ASN 49 far 0 99 0 - 3.9-30.7 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: HG2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 HG3 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 4 assignments used, quality = 1.00: HG2 GLN 79 + HE22 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 79 + HE22 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 79 - HD21 ASN 49 far 5 99 5 - 3.1-29.5 HG2 GLN 79 - HD21 ASN 49 far 5 99 5 - 3.9-29.4 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 2.1-3.5 3.6=100 HA ASN 74 - H TYR 81 far 0 83 0 - 9.7-20.7 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 2 assignments used, quality = 1.00: * HA TYR 81 + H TYR 81 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 14 - H TYR 81 far 0 98 0 - 8.9-57.6 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 4 assignments used, quality = 1.00: * HB3 TYR 81 + H TYR 81 OK 100 100 100 100 2.2-3.8 3.9=100 HE2 LYS 13 - H TYR 81 far 5 96 5 - 4.8-59.8 HE3 LYS 13 - H TYR 81 far 0 95 0 - 5.2-59.3 HE2 LYS 75 - H TYR 81 far 0 87 0 - 9.3-22.3 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 2.0-4.4 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 2 assignments used, quality = 0.98: HB2 ASN 80 + H TYR 81 OK 98 98 100 100 2.8-4.6 4.4=100 HB2 ASP 46 - H TYR 81 far 0 95 0 - 8.5-32.2 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 - 3.2-9.0 HA ALA 78 - H ARG 82 far 0 60 0 - 6.5-11.9 HA ARG 84 - H ARG 82 far 0 99 0 - 6.7-9.1 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 2 assignments used, quality = 0.94: * HA TYR 81 + H ARG 82 OK 94 99 100 96 2.1-3.5 3.6=93, 5466/4.3=34, ~5886=8 HA ASP 46 - H ARG 82 far 0 71 0 - 9.5-34.1 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 2 assignments used, quality = 0.71: HB3 TYR 81 + H ARG 82 OK 71 71 100 100 3.5-4.5 4.1=100 HE2 LYS 39 - H ARG 82 far 0 65 0 - 8.9-36.1 Violated in 4 structures by 0.01 A. Peak 5476 from nnoeabs.peaks (1.76, 8.04, 122.15 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 82 + H ARG 82 OK 100 100 100 100 2.3-3.8 4.0=100 HB2 LYS 83 - H ARG 82 poor 18 90 20 - 4.3-7.7 HB3 LYS 39 - H ARG 82 far 0 89 0 - 8.6-35.5 HB2 LYS 13 - H ARG 82 far 0 73 0 - 9.3-59.3 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 6 assignments used, quality = 0.98: * HB2 ARG 82 + H ARG 82 OK 98 100 100 98 3.6-4.0 4.0=93, 2.9/5478=55...(6) HB3 LYS 83 - H ARG 82 far 8 76 10 - 4.6-7.5 HD3 LYS 13 - H ARG 82 far 0 60 0 - 6.7-57.1 HB3 LYS 85 - H ARG 82 far 0 63 0 - 7.0-13.3 HD2 LYS 13 - H ARG 82 far 0 60 0 - 8.2-56.3 HB3 LYS 13 - H ARG 82 far 0 95 0 - 9.7-60.3 Violated in 7 structures by 0.03 A. Peak 5478 from nnoeabs.peaks (1.53, 8.04, 122.15 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.99: * HG2 ARG 82 + H ARG 82 OK 99 100 100 99 1.9-4.3 5885/3.0=72, 2.9/5477=66...(9) HG2 LYS 39 - H ARG 82 far 0 81 0 - 9.2-34.1 Violated in 3 structures by 0.01 A. Peak 5492 from nnoeabs.peaks (3.63, 7.99, 106.73 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.96: * HA ARG 69 + H GLY 72 OK 96 100 100 96 3.1-4.2 5130/5055=56...(10) HA VAL 65 - H GLY 72 far 0 100 0 - 8.0-9.3 HA ILE 40 - H GLY 72 far 0 100 0 - 8.2-9.6 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 - 9.0-13.6 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 2.2-5.0 4.9=100 HG LEU 29 - H ASP 24 far 0 100 0 - 8.6-9.9 HB3 LEU 64 - H ASP 24 far 0 68 0 - 9.0-11.7 HD3 LYS 75 - H ASP 24 far 0 99 0 - 9.2-22.9 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 4 assignments used, quality = 0.96: QB ALA 28 + H GLU 25 OK 96 97 100 100 4.3-5.5 4181/2.9=93, 5512/524=54...(12) QB ALA 20 - H GLU 25 poor 5 63 35 22 4.0-8.4 5514/523=8, 4167/4.0=5...(4) QB ALA 77 - H GLU 25 far 0 68 0 - 7.6-21.4 QB ALA 16 - H GLU 25 far 0 97 0 - 9.2-16.6 Violated in 6 structures by 0.02 A. Peak 5516 from nnoeabs.peaks (0.87, 8.13, 119.29 ppm; 5.34 A): 2 out of 3 assignments used, quality = 0.90: QD1 LEU 29 + H ARG 26 OK 74 99 75 100 4.1-7.0 5367=63, ~5929=52...(17) QD2 LEU 29 + H ARG 26 OK 60 60 100 100 3.3-4.7 4165/58=61, 2.1/5367=58...(20) QD2 LEU 64 - H ARG 26 far 0 60 0 - 6.8-8.2 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 4.5-5.2 5388/3.0=99, 5539=97...(10) HG12 ILE 33 - H ARG 27 far 0 100 0 - 7.1-7.9 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 = 0.89: QB ALA 28 + H ARG 27 OK 89 100 100 89 4.0-4.4 ~69=30, 5162/5521=27...(12) QB ALA 16 - H ARG 27 far 0 89 0 - 8.2-17.8 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 = 1.00: QD2 LEU 64 + H ARG 27 OK 98 100 100 98 4.8-6.0 5162/5520=63...(10) QD2 LEU 29 + H ARG 27 OK 94 100 100 94 4.1-4.7 4839/5520=55...(12) 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: HB2 GLU 25 + H ARG 27 OK 97 100 100 97 4.4-5.6 4.7/5380=82, 3.0/61=38...(9) HB3 GLU 25 + H ARG 27 OK 97 100 100 97 4.7-6.2 4.7/5380=82, 3.0/61=38...(9) HB3 MET 31 - H ARG 27 far 0 90 0 - 6.5-8.5 HB3 GLU 19 - H ARG 27 far 0 90 0 - 8.4-14.4 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 3.6-4.0 86/908=93, 5526/3.0=63...(12) Violated in 0 structures by 0.00 A. Peak 5527 from nnoeabs.peaks (2.05, 8.21, 122.47 ppm; 5.02 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 25 + H ALA 28 OK 98 100 100 98 4.8-5.7 ~4181=49, ~4161=49...(13) HB3 GLU 25 + H ALA 28 OK 98 100 100 98 4.8-5.7 ~4181=49, ~4161=49...(13) HB3 MET 31 - H ALA 28 far 4 89 5 - 5.0-7.1 HB3 GLU 19 - H ALA 28 far 0 92 0 - 6.5-15.2 HB2 GLU 87 - H ARG 84 far 0 61 0 - 8.9-13.9 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 = 1.00: HD3 ARG 27 + H ALA 28 OK 88 100 90 98 5.1-6.6 3.5/71=46, 3.5/70=46...(10) HD2 ARG 27 + H ALA 28 OK 84 100 85 99 5.2-6.5 3.5/71=46, 3.5/70=46...(10) HD3 ARG 84 + H ARG 84 OK 56 57 100 99 3.2-5.9 6.2=69, 3.5/843=37...(15) HD2 ARG 84 + H ARG 84 OK 52 52 100 99 2.5-6.1 6.2=69, 3.5/843=37...(15) HD2 ARG 82 - H ARG 84 poor 16 54 30 - 3.8-10.4 HD2 ARG 26 - H ALA 28 far 5 100 5 - 6.1-8.6 HD3 ARG 26 - H ALA 28 far 5 100 5 - 6.0-8.3 HD2 ARG 66 - H ARG 84 far 4 72 5 - 6.4-32.3 HD3 ARG 71 - H ALA 28 far 0 65 0 - 7.0-14.2 HD3 ARG 66 - H ARG 84 far 0 76 0 - 7.0-32.8 HD3 ARG 23 - H ALA 28 far 0 99 0 - 7.9-12.1 HD2 ARG 23 - H ALA 28 far 0 99 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 5534 from nnoeabs.peaks (1.46, 7.95, 119.22 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.95: QB ALA 30 + H LEU 29 OK 94 95 100 99 4.1-4.3 2.9/908=92, 4843/4.0=46...(15) HG12 ILE 33 + H LEU 29 OK 24 93 35 73 4.9-5.6 4175/3.6=55, 3626/3.0=17...(6) 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 3 assignments used, quality = 1.00: QB ALA 28 + H ALA 30 OK 100 100 100 100 4.5-4.8 78/908=94, 2.9/5538=65...(9) QB ALA 16 - H ALA 30 far 3 68 5 - 4.8-18.5 HG3 LYS 32 - H ALA 30 far 0 100 0 - 6.0-7.4 Violated in 5 structures by 0.01 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 4.0-4.2 76/908=93, 2.9/5535=67...(8) H GLU 25 - H ALA 30 far 0 97 0 - 8.0-8.7 H THR 15 - H ALA 30 far 0 99 0 - 8.8-23.3 H SER 22 - H ALA 30 far 0 100 0 - 8.8-12.3 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 4.2-4.7 3.6/89=72, 4190/90=54...(12) HG12 ILE 33 + H LYS 32 OK 95 100 100 96 3.7-4.1 574/4.6=58, 5543/3.0=32...(11) HG3 LYS 13 - H LYS 32 far 0 99 0 - 7.4-26.4 HG2 LYS 13 - H LYS 32 far 0 71 0 - 7.9-26.0 HB3 LEU 57 - H LYS 32 far 0 83 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 5542 from nnoeabs.peaks (1.62, 7.94, 118.73 ppm; 4.87 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 32 + H LYS 32 OK 100 100 100 100 4.6-5.7 3.0/565=86, 3.0/564=82...(17) HD2 LYS 32 + H LYS 32 OK 89 99 90 100 4.6-5.9 3.0/565=86, 3.0/564=82...(18) HG3 ARG 27 - H LYS 32 far 0 92 0 - 7.0-9.9 HG2 ARG 27 - H LYS 32 far 0 93 0 - 7.2-9.6 HG3 ARG 17 - H LYS 32 far 0 100 0 - 7.9-25.1 HG2 ARG 17 - H LYS 32 far 0 100 0 - 8.1-25.1 HG2 ARG 26 - H LYS 32 far 0 100 0 - 9.2-11.3 Violated in 7 structures by 0.04 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 3.2-5.0 3.0/5556=66, 89/4.6=65...(13) H GLN 61 - H ILE 33 far 0 87 0 - 7.7-10.3 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 4.4-4.8 4.8=100 HD3 PRO 36 - H ILE 33 far 0 87 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 5556 from nnoeabs.peaks (4.39, 7.91, 120.59 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.42: HA MET 31 + H ILE 33 OK 42 60 75 93 4.3-6.2 3.0/5544=71, 3.0/5181=66 Violated in 8 structures by 0.34 A. Peak 5559 from nnoeabs.peaks (0.85, 7.91, 120.59 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 64 + H ILE 33 OK 96 97 100 100 4.1-5.2 5162/5303=70...(10) QD2 LEU 29 + H ILE 33 OK 31 97 35 92 4.7-7.7 1482/5179=67...(5) QD1 LEU 29 - H ILE 33 far 0 71 0 - 6.2-7.2 QD1 LEU 62 - H ILE 33 far 0 85 0 - 9.9-11.9 Violated in 2 structures by 0.01 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 99 5.0-5.5 4612/4248=72...(12) QD1 ILE 33 + H PHE 35 OK 93 93 100 100 4.7-4.9 3.2/4248=92, 2.1/4249=79...(12) 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 4.1-5.8 4313/3.0=91, 4314/3.8=68...(9) HG3 PRO 34 - H THR 37 far 0 100 0 - 9.8-10.3 Violated in 1 structures by 0.03 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 3.9-4.6 913/119=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; 5.15 A): 2 out of 2 assignments used, quality = 1.00: H VAL 41 + H ASP 38 OK 99 100 100 99 4.8-5.6 915/4888=67, 5632/123=57...(8) HD21 ASN 42 + H ASP 38 OK 54 100 55 98 5.8-6.5 4356/3.0=53, ~4887=47...(7) Violated in 0 structures by 0.00 A. Peak 5593 from nnoeabs.peaks (7.62, 7.39, 117.25 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: H VAL 41 + H LYS 39 OK 100 100 100 100 4.1-5.0 5632=86, 915/914=82...(8) HD21 ASN 42 + H LYS 39 OK 86 100 100 86 4.7-5.7 4356/3.6=44, 4358/4.7=36...(6) 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 5 assignments used, quality = 1.00: HB3 PRO 34 + H PHE 35 OK 100 100 100 100 4.3-4.7 4.0=100 HB2 LYS 39 - H PHE 35 far 0 87 0 - 6.2-8.2 HB3 PRO 14 - H PHE 35 far 0 93 0 - 6.9-22.1 HB ILE 68 - H PHE 35 far 0 73 0 - 9.8-10.7 HB3 ARG 27 - H PHE 35 far 0 85 0 - 10.0-11.9 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 6 assignments used, quality = 0.99: QG2 VAL 41 + H ASP 38 OK 99 99 100 100 4.1-6.1 4337/3.0=88, ~5355=63...(12) QG2 ILE 40 - H ASP 38 far 0 100 0 - 6.3-6.8 HG12 ILE 68 - H ASP 38 far 0 99 0 - 6.7-8.6 QD1 LEU 64 - H ASP 38 far 0 68 0 - 7.3-10.0 QD2 LEU 43 - H ASP 38 far 0 90 0 - 7.9-9.2 QG2 VAL 76 - H ASP 38 far 0 99 0 - 9.0-20.0 Violated in 6 structures by 0.09 A. Peak 5599 from nnoeabs.peaks (1.90, 8.70, 119.49 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.64: HG12 ILE 40 + H ASP 38 OK 64 99 65 99 4.3-6.6 605/4888=70, 4311/3.6=68...(6) HB2 GLU 19 - H ASP 38 far 14 97 15 - 4.1-15.7 HB ILE 68 - H ASP 38 far 0 100 0 - 7.5-8.2 HG13 ILE 68 - H ASP 38 far 0 71 0 - 8.3-9.7 HB3 PRO 14 - H ASP 38 far 0 96 0 - 9.9-25.5 Violated in 12 structures by 0.56 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 3.7-4.8 3.6/913=81, 4266/914=70...(5) HA2 GLY 18 - H LYS 39 far 0 100 0 - 6.6-18.2 HA3 GLY 18 - H LYS 39 far 0 100 0 - 6.7-18.5 HA3 GLY 21 - H LYS 39 far 0 73 0 - 8.3-15.8 HA2 GLY 21 - H LYS 39 far 0 71 0 - 9.2-16.3 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 3.9-4.6 4657=99, 2.2/5122=86...(13) Violated in 0 structures by 0.00 A. Peak 5623 from nnoeabs.peaks (2.77, 7.63, 114.41 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 42 + H VAL 41 OK 97 97 100 99 4.1-4.6 4.1/916=79, 4.4/5631=65...(9) HB3 ASN 42 + H VAL 41 OK 92 99 95 99 5.6-6.1 4.1/916=79, 4.4/5631=65...(7) 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 1 assignment used, quality = 0.97: H LEU 43 + H VAL 41 OK 97 100 100 97 3.6-4.3 149/916=69, 4372/3.6=53...(7) 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 = 0.90: H LYS 39 + H VAL 41 OK 90 92 100 98 4.1-5.0 914/915=77, 5593=49...(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 2 assignments used, quality = 0.98: H ILE 40 + H ASN 42 OK 98 99 100 99 3.7-4.2 915/916=87, 4330/148=64...(5) H ASP 47 - H ASN 42 far 0 87 0 - 9.9-10.7 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 3 assignments used, quality = 0.89: HB2 LEU 43 + H ASN 42 OK 89 100 100 89 4.3-5.0 621/149=89 HB3 ARG 17 - H ASN 42 far 0 92 0 - 9.2-23.8 HG3 ARG 71 - H ASN 42 far 0 76 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 5640 from nnoeabs.peaks (4.04, 7.52, 120.92 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + H LEU 43 OK 100 100 100 100 4.7-4.9 4373/3.0=81, 4.8=75...(10) HA PHE 48 - H LEU 43 far 0 97 0 - 5.7-6.4 Violated in 20 structures by 0.46 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 4.1-4.6 4431/4.2=85, 919/4.6=81...(10) 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 4.4-4.7 5678=84, 4525/3.0=82...(7) H LEU 43 - H PHE 48 far 10 100 10 - 5.8-6.8 H ARG 54 - H PHE 48 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 5667 from nnoeabs.peaks (7.15, 8.65, 117.58 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + H ASN 49 OK 100 100 100 100 4.8-5.1 2.2/180=93, 4.4/177=69...(9) Violated in 16 structures by 0.04 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 4.3-5.4 4486/3.0=95, 4959/180=76...(11) 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 6 assignments used, quality = 0.93: HA ASN 49 + HD21 ASN 49 OK 93 93 100 100 4.3-5.2 4.4=100 HA ARG 82 - HE22 GLN 79 far 4 72 5 - 5.6-14.7 HA ARG 82 - HD21 ASN 49 far 0 73 0 - 6.6-33.1 HA ASN 49 - HE22 GLN 79 far 0 92 0 - 6.6-33.1 HA LYS 73 - HE22 GLN 79 far 0 76 0 - 7.6-23.6 HB THR 15 - HE22 GLN 79 far 0 90 0 - 9.9-54.0 Violated in 3 structures by 0.02 A. Peak 5670 from nnoeabs.peaks (1.60, 7.73, 120.91 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 51 + H GLU 50 OK 100 100 100 100 4.2-4.8 660/923=88, 196/5687=60...(7) HG3 ARG 54 - H GLU 50 far 12 78 15 - 5.4-7.4 HG3 ARG 84 - H GLU 50 far 0 100 0 - 6.6-40.7 HG2 ARG 84 - H GLU 50 far 0 100 0 - 8.1-40.5 HD2 LYS 39 - H GLU 50 far 0 92 0 - 8.7-11.8 HD3 LYS 39 - H GLU 50 far 0 90 0 - 9.1-12.4 Violated in 3 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 3.8-4.6 4452=97, 921/922=78...(8) H ASP 46 - H GLU 50 far 0 93 0 - 5.8-6.5 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 3.8-4.4 5687=88, 924/923=72...(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 4.4-4.7 5660=99, 3.0/4525=88...(7) H ASP 46 - H LEU 51 far 0 99 0 - 7.4-8.1 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 3.8-4.4 5672=94, 923/924=84...(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 4.0-5.0 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): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 50 + H ALA 53 OK 97 97 100 100 4.7-5.1 3.0/4549=89, 5699/673=70...(13) HB2 GLU 50 + H ALA 53 OK 97 97 100 100 5.4-5.7 3.0/4549=89, 4.7/4943=52...(12) HB3 PRO 56 - H ALA 53 far 0 85 0 - 9.8-10.5 HG2 PRO 56 - H ALA 53 far 0 95 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 3.3-4.4 687/210=76, 4634/2315=59...(13) Violated in 1 structures by 0.01 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 4.4-4.9 2.2/687=98, 4639/3.0=74...(12) HE22 GLN 61 - H TYR 55 far 0 92 0 - 8.9-11.4 Violated in 7 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 3.6-4.5 2.1/5733=70...(11) Violated in 0 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 98 3.9-6.2 4946=59, 5727/5713=51...(10) Violated in 2 structures by 0.05 A. Peak 5732 from nnoeabs.peaks (1.40, 7.69, 117.85 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 53 + H TYR 55 OK 98 99 100 100 4.2-4.9 3.6/210=80, 2.1/4582=79...(5) HG3 LYS 39 - H TYR 55 far 0 100 0 - 9.9-11.8 Violated in 8 structures by 0.06 A. Peak 5733 from nnoeabs.peaks (1.96, 7.69, 117.85 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: HG LEU 57 + H TYR 55 OK 100 100 100 100 3.6-4.6 2.1/5730=81, 4584/684=71...(7) Violated in 0 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 2.9-5.1 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 99 100 100 100 2.5-5.9 1.8/5744=78, 4604/693=66...(8) HE3 LYS 32 - H LEU 57 far 0 97 0 - 9.1-14.8 HE2 LYS 32 - H LEU 57 far 0 97 0 - 9.8-15.3 Violated in 1 structures by 0.04 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 99 100 100 3.1-5.4 3.6/218=89, 3.0/219=64...(9) HD3 PRO 56 + H LEU 57 OK 99 99 100 100 4.1-5.5 3.6/218=89, 3.0/219=64...(9) Violated in 0 structures by 0.00 A. Peak 5747 from nnoeabs.peaks (1.56, 8.15, 124.80 ppm; 4.64 A): 0 out of 6 assignments used, quality = 0.00: HG LEU 62 - H LEU 57 far 0 100 0 - 5.7-6.9 HB3 ARG 54 - H LEU 57 far 0 93 0 - 7.2-9.3 HB3 LEU 62 - H LEU 57 far 0 68 0 - 8.0-9.0 HG3 ARG 54 - H LEU 57 far 0 93 0 - 8.5-10.1 HG LEU 64 - H LEU 57 far 0 78 0 - 9.6-12.8 HD3 LYS 39 - H LEU 57 far 0 83 0 - 9.7-15.4 Violated in 20 structures by 1.14 A. Peak 5752 from nnoeabs.peaks (1.98, 9.06, 113.20 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.96: HG LEU 57 + H THR 58 OK 81 81 100 100 4.8-5.2 4.9=100 QE MET 31 + H THR 58 OK 80 93 90 96 4.9-6.7 5079/5757=60...(8) HB2 LEU 64 - H THR 58 far 0 100 0 - 7.5-8.4 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 2.3-5.0 1.8/5090=93, 3.0/4625=91...(9) Violated in 0 structures by 0.00 A. Peak 5754 from nnoeabs.peaks (3.95, 9.06, 113.20 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.97: HA GLN 61 + H THR 58 OK 95 95 100 100 4.7-5.5 3.0/4625=88, 5757=82...(11) HA LEU 62 + H THR 58 OK 40 63 65 98 5.5-6.1 3.0/5368=75, 4.7/5757=47...(7) HA LYS 32 - H THR 58 far 0 71 0 - 8.7-11.5 HA ALA 28 - H THR 58 far 0 99 0 - 9.9-11.7 Violated in 2 structures by 0.00 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 3.7-4.4 5780=99, 254/932=83...(10) 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 = 0.97: H LEU 64 + H GLN 61 OK 91 92 100 99 4.8-5.4 4687/3.0=78, 5776/932=70...(7) HE21 GLN 61 + H GLN 61 OK 62 73 85 100 4.8-6.5 3.5/713=87, 3.5/714=81...(12) 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 2.2-3.6 5763/1.7=82, 5545=80...(11) 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 2.2-4.0 5762/1.7=76, 4206=73...(14) 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 2.1-4.8 4655/1.7=83, 3.8/5762=71...(13) 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 2 assignments used, quality = 1.00: HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 1.9-4.4 4.6=100 HG LEU 29 - HE21 GLN 61 far 0 97 0 - 9.3-11.5 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 = 0.68: HB2 LEU 62 + H GLN 61 OK 68 71 100 96 4.1-4.6 4.0/932=65, 1.8/5778=52...(7) HB2 LEU 57 - H GLN 61 far 0 100 0 - 5.8-6.6 HB2 LYS 32 - H GLN 61 far 0 100 0 - 6.7-10.0 HB3 LYS 32 - H GLN 61 far 0 100 0 - 8.4-11.7 HG2 PRO 34 - H GLN 61 far 0 96 0 - 8.4-9.1 HB ILE 33 - H GLN 61 far 0 100 0 - 9.1-10.3 Violated in 10 structures by 0.05 A. Peak 5774 from nnoeabs.peaks (1.96, 8.82, 120.20 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.99: HB2 LEU 64 + H LEU 62 OK 96 99 100 97 5.2-5.8 4695/3.6=71...(7) QE MET 31 + H LEU 62 OK 66 71 95 98 4.5-6.2 5079/3.6=59...(12) HG LEU 57 - H LEU 62 far 15 97 15 - 5.9-6.4 HB3 ARG 66 - H LEU 62 far 0 76 0 - 6.7-8.2 HB2 MET 31 - H LEU 62 far 0 60 0 - 7.5-9.6 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 4.5-5.0 3.6/932=84, 4647/933=74...(4) HA LEU 64 - H LEU 62 far 0 81 0 - 6.9-7.4 Violated in 3 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 4.0-4.8 934/933=81, 4687/3.6=67...(8) H LEU 52 - H LEU 62 far 0 100 0 - 8.9-10.0 Violated in 2 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 3.8-4.3 264/934=83, 4674/3.6=63...(8) 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 3.7-4.4 5759=98, 932/933=83...(10) 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 4.0-4.8 5776=98, 933/934=94...(8) Violated in 0 structures by 0.00 A. Peak 5795 from nnoeabs.peaks (0.71, 8.38, 117.58 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + H VAL 65 OK 99 100 100 99 3.8-4.7 4211=70, 6122/269=62...(9) QD2 LEU 57 - H VAL 65 far 15 100 15 - 5.1-6.1 Violated in 4 structures by 0.02 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...(9) HA GLU 59 - H VAL 65 far 0 89 0 - 7.5-8.1 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 3 assignments used, quality = 0.68: HB2 ASP 67 + H ARG 66 OK 68 68 100 100 4.5-5.1 3.9/937=80, 1.8/5813=66...(7) HB3 PHE 48 - H ARG 66 far 0 97 0 - 8.8-10.1 HB2 ASN 49 - H ARG 66 far 0 68 0 - 9.8-12.6 Violated in 2 structures by 0.01 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 4.0-4.7 5018=79, 264/271=77...(8) H LEU 52 - H ARG 66 far 0 100 0 - 8.1-9.9 HE21 GLN 61 - H ARG 66 far 0 60 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 5803 from nnoeabs.peaks (0.81, 7.93, 121.56 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 68 + H ASP 67 OK 97 100 100 97 5.6-6.0 4.0/284=83, 3.2/279=39...(7) QD1 ILE 68 + H ASP 67 OK 61 63 100 98 4.3-4.8 5.0/284=69, 6071/4737=57...(9) QG1 VAL 41 - H ASP 67 far 0 95 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 5804 from nnoeabs.peaks (1.23, 7.93, 121.56 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 65 + H ASP 67 OK 99 99 100 100 4.2-5.0 4.1/937=79, 2.1/4714=71...(14) QG2 VAL 65 + H ASP 67 OK 93 93 100 100 4.8-5.8 4714=84, 4.1/937=79...(16) HG2 ARG 69 - H ASP 67 far 5 93 5 - 5.8-8.4 HG13 ILE 40 - H ASP 67 far 0 100 0 - 7.3-9.8 HG13 ILE 33 - H ASP 67 far 0 99 0 - 8.4-9.0 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 2 assignments used, quality = 0.89: QB ALA 63 + H ASP 67 OK 89 89 100 100 4.9-5.3 2.1/5808=94, 4.9/4737=71...(9) HB3 LEU 52 - H ASP 67 far 0 57 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 5806 from nnoeabs.peaks (3.19, 7.93, 121.56 ppm; 5.29 A): 4 out of 7 assignments used, quality = 0.96: HD3 ARG 66 + H ASP 67 OK 75 100 75 100 4.5-6.5 3.0/280=83, 3.0/5802=71...(13) HD2 ARG 66 + H ASP 67 OK 70 100 70 100 3.4-6.5 3.0/280=83, 3.0/5802=71...(13) HD2 ARG 70 + H ASP 67 OK 34 81 45 95 4.4-9.5 ~5049=47, ~5052=44...(11) HD3 ARG 70 + H ASP 67 OK 28 85 35 95 5.0-9.7 ~5049=47, ~5052=44...(11) HD3 ARG 27 - H ASP 67 far 0 90 0 - 6.4-12.7 HD2 ARG 27 - H ASP 67 far 0 90 0 - 6.6-11.6 HD3 ARG 71 - H ASP 67 far 0 92 0 - 6.6-8.7 Violated in 1 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 3.8-4.7 3.6/937=90, 4747/284=86...(12) HA ARG 69 - H ASP 67 far 0 100 0 - 6.4-7.1 HA ILE 40 - H ASP 67 far 0 100 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 5808 from nnoeabs.peaks (4.07, 7.93, 121.56 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.96: HA ALA 63 + H ASP 67 OK 96 97 100 99 4.3-4.9 5036/937=64, 2.1/5805=56...(9) HA ARG 71 - H ASP 67 far 0 100 0 - 8.1-9.4 HA GLU 59 - H ASP 67 far 0 63 0 - 9.7-10.6 Violated in 2 structures by 0.00 A. Peak 5809 from nnoeabs.peaks (3.98, 8.44, 120.04 ppm; 5.10 A): 1 out of 6 assignments used, quality = 1.00: HA ARG 66 + H ILE 68 OK 100 100 100 100 4.0-5.1 3.6/284=87, 5379/939=81...(6) HA2 GLY 72 - H ILE 68 far 0 90 0 - 6.6-8.9 HA ARG 70 - H ILE 68 far 0 76 0 - 6.7-7.5 HA ALA 28 - H ILE 68 far 0 81 0 - 7.3-8.9 HA GLN 61 - H ILE 68 far 0 93 0 - 8.1-9.0 HA3 GLY 21 - H ILE 68 far 0 63 0 - 9.6-17.7 Violated in 1 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 4.0-4.9 6135=93, 4693/284=66...(8) HA ASP 38 - H ILE 68 far 0 100 0 - 9.4-10.5 Violated in 1 structures by 0.01 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 4.0-4.8 937/284=82, 3.6/4747=70...(10) Violated in 1 structures by 0.01 A. Peak 5818 from nnoeabs.peaks (1.54, 8.44, 120.04 ppm; 5.32 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 64 + H ILE 68 OK 100 100 100 100 3.8-5.7 2.1/6134=92...(7) HG LEU 62 - H ILE 68 far 0 63 0 - 8.9-9.9 HG3 ARG 23 - H ILE 68 far 0 100 0 - 9.0-15.1 HG2 LYS 39 - H ILE 68 far 0 97 0 - 10.0-12.8 Violated in 2 structures by 0.03 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 3.8-4.2 3.6/939=89, 4792/940=85...(4) HA ASP 24 - H ARG 69 far 0 99 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 5820 from nnoeabs.peaks (2.03, 7.98, 119.32 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.93: HD3 ARG 69 + H ARG 69 OK 85 100 85 100 4.1-5.6 3.9/760=67, 3.9/2800=59...(17) HD2 ARG 69 + H ARG 69 OK 55 100 55 100 3.6-5.7 3.9/760=67, 3.9/2800=59...(17) HG2 ARG 66 - H ARG 69 far 0 83 0 - 5.5-7.1 HB VAL 76 - H ARG 69 far 0 93 0 - 9.5-18.1 Violated in 11 structures by 0.05 A. Peak 5825 from nnoeabs.peaks (8.10, 7.98, 119.32 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.99: H ARG 71 + H ARG 69 OK 99 100 100 99 3.7-4.4 303/940=82, 15389/3.6=54...(11) H LYS 75 - H ARG 69 far 0 97 0 - 8.1-12.5 Violated in 1 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 = 1.00: H ILE 68 + H ARG 70 OK 100 100 100 100 3.8-4.8 939/940=94, 3.6/4792=75...(7) 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 = 1.00: HD2 ARG 70 + H ARG 70 OK 99 99 100 100 3.7-5.4 3.0/770=84, 3.0/2872=76...(19) HD3 ARG 70 + H ARG 70 OK 97 97 100 100 3.5-5.8 3.0/770=84, 3.0/2872=76...(19) HD3 ARG 71 - H ARG 70 far 5 93 5 - 5.7-7.5 HD3 ARG 66 - H ARG 70 far 0 65 0 - 6.4-9.5 HD2 ARG 66 - H ARG 70 far 0 71 0 - 6.6-10.0 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 2.5-4.7 3943=100, 3.0/297=78...(14) QG1 VAL 65 - H ARG 70 far 0 99 0 - 5.6-6.9 QG2 VAL 65 - H ARG 70 far 0 65 0 - 7.3-8.4 HG13 ILE 40 - H ARG 70 far 0 99 0 - 8.2-9.8 Violated in 7 structures by 0.04 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 4.3-5.5 4326/940=82, 4303/297=67...(12) QG2 VAL 41 + H ARG 70 OK 93 100 95 98 4.2-5.8 5130/3.6=75, 5834/303=35...(13) QG1 VAL 76 - H ARG 70 far 0 97 0 - 5.8-11.8 HG12 ILE 68 - H ARG 70 far 0 97 0 - 6.4-7.5 QD1 LEU 64 - H ARG 70 far 0 76 0 - 7.0-8.3 QG2 VAL 76 - H ARG 70 far 0 97 0 - 7.3-13.5 QD2 LEU 62 - H ARG 70 far 0 100 0 - 7.8-10.6 Violated in 2 structures by 0.02 A. Peak 5831 from nnoeabs.peaks (0.82, 7.95, 118.23 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.98: QG2 ILE 68 + H ARG 70 OK 98 98 100 99 4.5-5.5 291/940=89, 4.0/5826=58...(11) QG1 VAL 41 + H ARG 70 OK 28 78 40 90 5.2-6.8 4903/3943=43...(6) QD2 LEU 64 - H ARG 70 far 0 65 0 - 8.3-9.9 QD1 LEU 43 - H ARG 70 far 0 96 0 - 9.8-10.8 Violated in 3 structures by 0.01 A. Peak 5833 from nnoeabs.peaks (3.19, 8.11, 117.98 ppm; 4.82 A): 3 out of 9 assignments used, quality = 1.00: HD3 ARG 71 + H ARG 71 OK 100 100 100 100 4.1-5.0 3.0/779=87, 3.0/2920=61...(14) HD3 ARG 70 + H ARG 71 OK 83 98 85 99 4.3-5.9 3.0/307=80, 3.5/305=43...(16) HD2 ARG 70 + H ARG 71 OK 77 97 80 99 4.5-6.2 3.0/307=80, 3.5/306=43...(16) HD2 ARG 66 - H ARG 71 far 0 99 0 - 7.9-12.1 HD3 ARG 66 - H ARG 71 far 0 99 0 - 8.4-11.6 HD2 ARG 27 - H ARG 71 far 0 68 0 - 8.4-13.8 HD2 ARG 23 - H ARG 71 far 0 57 0 - 9.0-16.2 HD3 ARG 27 - H ARG 71 far 0 68 0 - 9.4-14.2 HD3 ARG 23 - H ARG 71 far 0 57 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 5834 from nnoeabs.peaks (0.94, 8.11, 117.98 ppm; 5.04 A): 3 out of 7 assignments used, quality = 1.00: QG2 VAL 41 + H ARG 71 OK 99 100 100 99 4.0-5.7 5055/5397=76...(12) HG12 ILE 68 + H ARG 71 OK 30 92 35 93 5.6-6.9 4.0/5389=64, 5.0/5825=54...(7) QG2 ILE 40 + H ARG 71 OK 26 99 30 87 5.2-6.6 4326/5825=66...(5) QG1 VAL 76 - H ARG 71 far 9 92 10 - 5.3-11.7 QD1 LEU 64 - H ARG 71 far 0 85 0 - 6.7-8.0 QG2 VAL 76 - H ARG 71 far 0 92 0 - 7.4-13.4 QD2 LEU 62 - H ARG 71 far 0 99 0 - 9.6-12.3 Violated in 3 structures by 0.01 A. Peak 5835 from nnoeabs.peaks (0.81, 8.11, 117.98 ppm; 5.33 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + H ARG 71 OK 100 100 100 100 3.7-5.4 3.2/5389=80, 291/5825=76...(14) QG1 VAL 41 + H ARG 71 OK 73 95 80 97 5.1-6.7 2.1/5834=54...(7) QD1 ILE 68 - H ARG 71 far 6 63 10 - 6.1-7.0 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 4.0-5.0 3.6/303=87, 2.9/5825=82...(10) HA VAL 65 - H ARG 71 far 0 100 0 - 7.5-8.5 HA ILE 40 - H ARG 71 far 0 99 0 - 9.1-10.6 Violated in 0 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 98 3.2-5.5 5049/307=67, 4792/303=56...(10) HA ASP 24 - H ARG 71 far 5 100 5 - 6.2-10.8 Violated in 1 structures by 0.01 A. Peak 5839 from nnoeabs.peaks (1.39, 7.99, 106.73 ppm; 5.27 A): 2 out of 8 assignments used, quality = 0.97: HB3 ARG 69 + H GLY 72 OK 93 99 100 94 4.9-6.2 3.0/5492=83...(7) HG3 ARG 69 + H GLY 72 OK 62 97 70 92 5.1-7.0 3.9/15492=72...(8) QB ALA 20 - H GLY 72 far 5 97 5 - 5.8-16.6 QB ALA 77 - H GLY 72 far 5 96 5 - 5.4-14.2 HG3 LYS 75 - H GLY 72 far 0 100 0 - 6.2-12.6 HG3 LYS 73 - H GLY 72 far 0 100 0 - 6.7-7.4 QB ALA 78 - H GLY 72 far 0 100 0 - 7.0-16.9 HG2 LYS 75 - H GLY 72 far 0 100 0 - 7.5-12.4 Violated in 5 structures by 0.02 A. Peak 5840 from nnoeabs.peaks (1.62, 7.99, 106.73 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 71 + H GLY 72 OK 100 100 100 100 2.1-5.2 1.8/5841=85, 5.0=84...(14) HG3 ARG 70 + H GLY 72 OK 33 97 40 85 4.5-7.1 5.0/5397=56, 2.9/5842=39...(5) HD3 LYS 73 - H GLY 72 far 5 96 5 - 4.9-8.6 HD2 LYS 73 - H GLY 72 far 5 96 5 - 5.6-8.2 HG2 ARG 27 - H GLY 72 far 0 98 0 - 10.0-13.3 Violated in 1 structures by 0.00 A. Peak 5841 from nnoeabs.peaks (1.77, 7.99, 106.73 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.86: HG3 ARG 71 + H GLY 72 OK 86 87 100 99 3.8-4.8 5.0=71, 2928/5397=55...(9) HB3 LYS 73 - H GLY 72 poor 20 99 20 - 4.5-6.1 HB3 LYS 75 - H GLY 72 far 0 87 0 - 7.6-11.4 Violated in 8 structures by 0.07 A. Peak 5842 from nnoeabs.peaks (1.96, 7.99, 106.73 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.62: HB3 ARG 70 + H GLY 72 OK 44 99 60 74 4.9-6.3 4.4/5397=62, 2.9/5840=16...(4) HB2 ARG 70 + H GLY 72 OK 32 99 45 73 4.5-6.6 4.4/5397=62, 2.9/5840=16...(4) HB3 ARG 66 - H GLY 72 far 0 81 0 - 8.9-10.8 Violated in 13 structures by 0.28 A. Peak 5845 from nnoeabs.peaks (3.50, 7.99, 106.73 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 68 + H GLY 72 OK 99 100 100 99 3.5-5.0 15389/5397=67, 3934=48...(12) Violated in 1 structures by 0.01 A. Peak 5847 from nnoeabs.peaks (1.60, 6.90, 112.60 ppm; 4.87 A): 0 out of 10 assignments used, quality = 0.00: HG3 ARG 70 - HD22 ASN 74 far 10 99 10 - 3.8-11.7 HG2 ARG 71 - HD22 ASN 74 far 9 92 10 - 5.7-14.2 HD2 LYS 73 - HD22 ASN 74 far 5 99 5 - 4.9-10.3 HD3 LYS 73 - HD22 ASN 74 far 5 99 5 - 5.4-10.3 HG3 ARG 84 - HD22 ASN 80 far 5 92 5 - 5.3-17.4 HG2 ARG 84 - HD22 ASN 80 far 0 92 0 - 6.0-16.7 HD3 LYS 73 - HD22 ASN 80 far 0 96 0 - 8.1-24.3 HD2 LYS 73 - HD22 ASN 80 far 0 96 0 - 9.0-24.7 HG2 ARG 71 - HD22 ASN 80 far 0 87 0 - 9.1-27.1 HB3 LEU 62 - HD22 ASN 80 far 0 85 0 - 9.8-32.8 Violated in 16 structures by 1.25 A. Peak 5849 from nnoeabs.peaks (1.46, 8.09, 121.69 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.62: HG3 LYS 85 + H LYS 85 OK 49 52 100 96 2.0-4.8 4.8=84, ~3427=28...(8) HG2 LYS 73 + H LYS 75 OK 25 87 50 58 2.2-9.1 2.9/804=15, 2.9/3076=15...(7) HG13 ILE 89 - H LYS 85 far 0 37 0 - 7.5-17.8 QB ALA 63 - H LYS 85 far 0 30 0 - 9.6-32.0 Violated in 0 structures by 0.00 A. Peak 5850 from nnoeabs.peaks (0.93, 8.09, 121.69 ppm; 5.59 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 76 + H LYS 75 OK 97 98 100 99 3.2-5.9 3.9/5410=79, 3.2/5851=75...(11) QG2 VAL 76 + H LYS 75 OK 96 98 100 98 2.9-5.9 3.9/5410=79, 3.2/5851=75...(9) QG2 VAL 41 - H LYS 75 far 5 100 5 - 5.5-9.8 QD2 LEU 62 - H LYS 85 far 0 54 0 - 7.8-29.7 QG2 ILE 40 - H LYS 75 far 0 100 0 - 8.8-12.5 Violated in 0 structures by 0.00 A. Peak 5851 from nnoeabs.peaks (3.96, 8.09, 121.69 ppm; 5.13 A): 1 out of 6 assignments used, quality = 0.99: HA VAL 76 + H LYS 75 OK 99 100 100 100 4.6-5.3 3.0/5410=82, 5853/4.0=55...(10) ! HA2 GLY 72 - H LYS 75 far 5 100 5 - 4.0-9.9 HA3 GLY 21 - H LYS 75 far 0 96 0 - 6.7-24.7 HA2 GLY 21 - H LYS 75 far 0 97 0 - 7.6-25.2 HA GLU 50 - H LYS 85 far 0 54 0 - 9.1-44.2 HA ARG 66 - H LYS 75 far 0 93 0 - 9.5-15.2 Violated in 4 structures by 0.01 A. Peak 5855 from nnoeabs.peaks (2.80, 7.96, 120.67 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.76: HB2 ASN 74 + H VAL 76 OK 52 98 70 76 3.1-7.9 4.6/5410=63, 5058/4.9=11...(6) HB3 ASN 74 + H VAL 76 OK 50 81 80 78 2.1-7.2 4.6/5410=63, 5990/3.9=17...(6) Violated in 6 structures by 0.28 A. Peak 5857 from nnoeabs.peaks (8.23, 8.15, 122.77 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.98: H ALA 77 + H ALA 78 OK 90 100 100 90 1.9-4.6 4.6=61, 3.0/3988=43...(5) H GLN 79 + H ALA 78 OK 80 95 100 85 2.6-4.6 4.6=62, 3.6/821=38...(6) H THR 15 - H ALA 78 far 0 71 0 - 6.6-47.0 H SER 22 - H ALA 78 far 0 87 0 - 8.7-28.8 Violated in 2 structures by 0.01 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 1.9-4.6 4.6=100 H ASN 74 + H ALA 77 OK 22 99 25 90 3.7-10.4 3.0/6039=65, ~16040=45, ~6041=44 Violated in 0 structures by 0.00 A. Peak 5861 from nnoeabs.peaks (0.91, 8.15, 122.77 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.93: QG2 VAL 76 + H ALA 78 OK 80 98 85 96 1.8-6.3 5430/2.9=64, 5437/3.6=39...(11) QG1 VAL 76 + H ALA 78 OK 65 98 75 89 2.8-7.5 ~5430=43, 4.3/5857=34...(11) QG2 VAL 41 - H ALA 78 far 0 76 0 - 8.6-16.9 QG2 ILE 40 - H ALA 78 far 0 87 0 - 9.7-18.5 Violated in 3 structures by 0.10 A. Peak 5882 from nnoeabs.peaks (4.21, 8.05, 120.90 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.73: HA GLN 79 + H TYR 81 OK 53 98 80 67 3.2-6.3 6050=37, 5459/3.9=27...(4) * HA ALA 78 + H TYR 81 OK 43 100 45 96 3.1-9.2 5862/3.9=60, 6049/3.9=58...(6) HA ALA 77 - H TYR 81 far 0 65 0 - 6.1-11.9 HA ARG 84 - H TYR 81 far 0 78 0 - 8.4-11.7 Violated in 7 structures by 0.25 A. Peak 5895 from nnoeabs.peaks (1.38, 8.27, 123.92 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.99: HG2 LYS 85 + H LEU 86 OK 99 99 100 100 2.0-5.1 4.7=100 HG2 LYS 83 - H LEU 86 far 5 92 5 - 6.0-11.3 QB ALA 53 - H LEU 86 far 0 98 0 - 9.2-40.5 Violated in 0 structures by 0.00 A. Peak 5896 from nnoeabs.peaks (1.59, 8.31, 123.08 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.59: HG2 ARG 84 + H LYS 83 OK 41 100 80 51 3.4-6.6 845/4.6=31, 3.9/359=22...(4) HG3 ARG 84 + H LYS 83 OK 30 100 60 51 4.1-6.9 845/4.6=31, 3.9/359=22...(4) HG LEU 86 - H LYS 83 far 0 100 0 - 8.1-14.0 HB2 LEU 86 - H LYS 83 far 0 83 0 - 8.5-14.0 Violated in 1 structures by 0.00 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 1.9-4.8 4.6=100 HG2 LYS 85 - H LYS 83 far 0 100 0 - 6.5-11.3 QB ALA 78 - H LYS 83 far 0 93 0 - 7.3-12.4 QB ALA 77 - H LYS 83 far 0 100 0 - 8.5-16.3 Violated in 0 structures by 0.00 A. Peak 5898 from nnoeabs.peaks (8.43, 8.27, 123.92 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.98: H GLU 87 + H LEU 86 OK 98 100 100 98 1.9-4.4 4.6=84, 397/861=59...(6) Violated in 4 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 2.1-4.6 4.6=100 H LYS 85 - H GLU 87 poor 18 76 40 58 4.6-8.1 4.7/5898=58 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 2.1-4.6 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 2 assignments used, quality = 1.00: HB3 GLU 87 + H THR 88 OK 100 100 100 100 2.7-4.6 4.6=100 HB2 GLN 91 - H THR 88 far 5 96 5 - 5.0-13.5 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 6 assignments used, quality = 0.99: HG2 PRO 14 + H THR 15 OK 90 99 100 91 4.0-5.0 3.8/10=90, 4390/3.0=14 HG3 PRO 14 + H THR 15 OK 90 99 100 91 4.7-5.8 3.8/10=90, ~4390=10 HG LEU 43 - H THR 15 far 0 100 0 - 7.6-29.9 HB2 GLN 79 - H THR 15 far 0 68 0 - 8.3-53.8 HB3 MET 11 - H THR 15 far 0 93 0 - 8.6-14.2 HB3 GLN 79 - H THR 15 far 0 100 0 - 8.8-54.1 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 2 assignments used, quality = 1.00: HD3 ARG 17 + H ARG 17 OK 99 99 100 100 2.4-6.0 5.6=100 HD2 ARG 17 + H ARG 17 OK 99 99 100 100 2.8-5.7 5.6=100 Violated in 0 structures by 0.00 A. Peak 5909 from nnoeabs.peaks (0.79, 8.21, 122.47 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 68 + H ALA 28 OK 98 99 100 99 3.7-5.1 4758/2.9=86, 5928/3.0=65...(12) QG2 ILE 68 + H ALA 28 OK 23 81 30 94 4.7-6.9 ~5302=46, ~4758=46...(10) QD1 ILE 89 - H ARG 84 far 0 59 0 - 7.4-17.4 Violated in 1 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 2.5-5.9 5931=76, 5911/1.7=71...(9) HB2 PRO 56 - HE21 GLN 61 far 5 90 5 - 5.9-10.4 HG3 PRO 56 - HE21 GLN 61 far 0 87 0 - 6.4-9.9 HB2 GLU 59 - HE21 GLN 61 far 0 85 0 - 9.9-11.6 Violated in 1 structures by 0.03 A. Peak 5911 from nnoeabs.peaks (2.06, 6.83, 111.22 ppm; 5.22 A): 1 out of 4 assignments used, quality = 0.95: HB3 MET 31 + HE22 GLN 61 OK 95 97 100 99 3.0-5.5 5910/1.7=72, ~5932=56...(9) HG2 PRO 56 - HE22 GLN 61 lone 1 78 55 2 5.2-8.8 HB2 PRO 56 - HE22 GLN 61 far 0 60 0 - 6.3-9.7 HB3 PRO 56 - HE22 GLN 61 far 0 63 0 - 7.7-11.1 Violated in 2 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 = 0.96: HG LEU 57 + HE22 GLN 61 OK 74 99 75 99 4.7-7.5 ~4988=66, 3.7/5301=64...(9) QE MET 31 + HE22 GLN 61 OK 65 65 100 99 3.2-5.5 5930=63, 4.3/5911=60...(12) HB2 MET 31 + HE22 GLN 61 OK 62 65 95 100 3.1-6.5 1.8/5911=86, ~5910=69...(10) HB2 LEU 64 - HE22 GLN 61 far 10 98 10 - 5.5-7.8 HG3 PRO 14 - HE22 GLN 61 far 0 78 0 - 6.4-27.5 HG2 PRO 14 - HE22 GLN 61 far 0 78 0 - 7.9-26.3 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 7 assignments used, quality = 1.00: HB2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.5-4.6 4.4=100 HB3 GLN 79 + HE21 GLN 79 OK 65 65 100 100 2.1-4.5 4.4=100 HG3 PRO 14 - HE21 GLN 79 far 4 89 5 - 4.7-58.2 HG2 PRO 14 - HE21 GLN 79 far 4 89 5 - 5.8-57.2 HB2 ARG 70 - HE21 GLN 79 far 0 95 0 - 6.5-22.7 HB3 ARG 70 - HE21 GLN 79 far 0 95 0 - 7.0-21.1 HB3 ARG 66 - HE21 GLN 79 far 0 68 0 - 7.6-28.2 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 1.9-4.5 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 10 assignments used, quality = 1.00: HD3 ARG 84 + H ARG 84 OK 100 100 100 100 3.2-5.9 6.2=70, 3.5/843=52...(15) HD2 ARG 84 + H ARG 84 OK 99 99 100 100 2.5-6.1 6.2=70, 3.5/843=52...(15) HD3 ARG 27 + H ALA 28 OK 63 72 90 96 5.1-6.6 3.5/3756=42, 3.5/3755=42...(10) HD2 ARG 27 + H ALA 28 OK 59 72 85 96 5.2-6.5 3.5/3756=42, 3.5/3755=42...(10) HD2 ARG 26 - H ALA 28 far 3 63 5 - 6.1-8.6 HD3 ARG 26 - H ALA 28 far 3 61 5 - 6.0-8.3 HD2 ARG 82 - H ARG 84 lone 1 100 30 3 3.8-10.4 4.9/3367=1 HD3 ARG 23 - H ALA 28 far 0 78 0 - 7.9-12.1 HD2 ARG 71 - H ALA 28 far 0 77 0 - 7.9-14.0 HD2 ARG 23 - H ALA 28 far 0 78 0 - 8.6-11.8 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 1.9-4.3 4.8=100 QD1 ILE 89 - H LEU 86 far 0 65 0 - 7.4-11.7 QG2 ILE 89 - H LEU 86 far 0 100 0 - 7.8-11.5 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 3 assignments used, quality = 0.76: QD2 LEU 86 + H GLU 87 OK 76 76 100 100 2.1-5.1 4.9=100 QG2 ILE 89 - H GLU 87 poor 19 93 20 - 5.6-9.5 QD1 LEU 62 - H GLU 87 far 0 85 0 - 6.7-36.5 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 = 0.96: HG3 GLU 87 + H THR 88 OK 82 85 100 96 2.4-5.6 4.0/402=87, 3.0/4032=43...(7) HG2 GLU 87 + H THR 88 OK 80 83 100 96 3.5-5.9 4.0/402=87, 3.0/4032=43...(7) 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 3.2-4.8 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 4 assignments used, quality = 1.00: HB2 MET 11 + H ALA 12 OK 100 100 100 100 2.1-4.5 4.1=100 HB2 GLN 91 - H VAL 90 poor 11 51 80 27 3.6-7.0 ~3641=25 HB3 GLU 87 - H VAL 90 far 2 40 5 - 6.3-10.3 HB3 PRO 14 - H ALA 12 far 0 100 0 - 7.5-10.1 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 3 assignments used, quality = 0.66: HA ARG 70 + H LYS 73 OK 66 100 100 66 3.2-4.3 5061/787=45, 5984/788=20...(7) HB2 SER 22 - H LYS 73 far 0 98 0 - 7.2-14.8 HA ARG 66 - H LYS 73 far 0 71 0 - 7.9-10.2 Reference assignment not found: HA LYS 73 - H LYS 73 Violated in 6 structures by 0.04 A. Peak 6013 from nnoeabs.peaks (6.89, 7.55, 112.69 ppm; 2.43 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 80 + HD21 ASN 80 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 74 - HD21 ASN 80 far 0 99 0 - 6.9-23.9 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 HD21 ASN 80 - HD22 ASN 74 far 0 97 0 - 6.9-23.9 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 HD21 ASN 80 - HD22 ASN 74 far 0 97 0 - 6.9-23.9 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 4 assignments used, quality = 1.00: HB2 ASN 80 + HD22 ASN 80 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 ASN 49 - HD22 ASN 80 far 0 65 0 - 7.1-32.3 HB2 ASN 80 - HD22 ASN 74 far 0 97 0 - 8.2-23.0 HB2 ASP 46 - HD22 ASN 80 far 0 99 0 - 9.2-34.5 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 3 assignments used, quality = 1.00: HB2 ASN 80 + HD21 ASN 80 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 ASN 49 - HD21 ASN 80 far 0 78 0 - 7.8-31.0 HB2 ASP 46 - HD21 ASN 80 far 0 100 0 - 8.6-33.5 Violated in 0 structures by 0.00 A. Peak 6019 from nnoeabs.peaks (1.38, 7.55, 112.69 ppm; 5.10 A): 1 out of 8 assignments used, quality = 0.38: QB ALA 78 + HD21 ASN 80 OK 38 100 45 84 3.7-9.1 5874/3.5=55, 6021/1.7=47 HG2 LYS 83 - HD21 ASN 80 far 5 90 5 - 3.5-14.8 QB ALA 16 - HD21 ASN 80 far 4 71 5 - 5.8-44.1 QB ALA 77 - HD21 ASN 80 lone 1 98 30 3 2.6-11.7 6021/1.7=1 HG3 LYS 73 - HD21 ASN 80 far 0 100 0 - 9.0-24.2 HG3 ARG 69 - HD21 ASN 80 far 0 99 0 - 9.4-25.7 HG3 LYS 75 - HD21 ASN 80 far 0 100 0 - 9.5-21.1 HG2 LYS 75 - HD21 ASN 80 far 0 100 0 - 9.5-22.1 Violated in 15 structures by 1.34 A. Peak 6020 from nnoeabs.peaks (0.92, 7.55, 112.69 ppm; 4.66 A): 0 out of 3 assignments used, quality = 0.00: QG2 VAL 76 - HD21 ASN 80 far 15 100 15 - 2.2-12.8 QG1 VAL 76 - HD21 ASN 80 far 5 100 5 - 4.6-14.5 QD2 LEU 62 - HD21 ASN 80 far 0 96 0 - 8.4-26.3 Violated in 18 structures by 3.34 A. Peak 6021 from nnoeabs.peaks (1.38, 6.89, 112.69 ppm; 5.14 A): 2 out of 16 assignments used, quality = 0.64: QB ALA 78 + HD22 ASN 80 OK 47 100 50 94 3.3-8.6 6019/1.7=80, 5874/3.5=56 QB ALA 77 + HD22 ASN 74 OK 32 94 40 84 4.5-12.6 16040/4.4=72...(3) HG3 LYS 73 - HD22 ASN 74 far 10 97 10 - 2.7-9.7 HG3 LYS 75 - HD22 ASN 74 far 5 96 5 - 5.1-10.1 HG2 LYS 75 - HD22 ASN 74 far 5 96 5 - 5.9-10.4 HG2 LYS 83 - HD22 ASN 80 far 5 90 5 - 5.1-15.1 QB ALA 16 - HD22 ASN 80 far 4 71 5 - 5.0-43.0 QB ALA 77 - HD22 ASN 80 lone 1 98 30 4 3.0-12.3 6019/1.7=2 QB ALA 78 - HD22 ASN 74 far 0 97 0 - 7.4-14.7 HG3 ARG 69 - HD22 ASN 74 far 0 95 0 - 7.8-13.1 HG3 LYS 75 - HD22 ASN 80 far 0 100 0 - 8.1-20.7 HG2 LYS 75 - HD22 ASN 80 far 0 100 0 - 8.3-21.8 HB3 ARG 69 - HD22 ASN 74 far 0 93 0 - 8.6-15.1 QB ALA 20 - HD22 ASN 74 far 0 95 0 - 8.6-20.6 QB ALA 53 - HD22 ASN 80 far 0 99 0 - 9.2-31.3 HG3 LYS 73 - HD22 ASN 80 far 0 100 0 - 9.9-23.9 Violated in 5 structures by 0.34 A. Peak 6022 from nnoeabs.peaks (0.92, 6.89, 112.69 ppm; 4.34 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 76 - HD22 ASN 80 far 15 100 15 - 2.5-13.7 QG1 VAL 76 - HD22 ASN 74 far 10 97 10 - 3.1-9.5 QG2 VAL 76 - HD22 ASN 74 far 10 97 10 - 4.5-10.4 QG1 VAL 76 - HD22 ASN 80 far 5 100 5 - 4.2-14.4 QG2 VAL 41 - HD22 ASN 74 far 0 83 0 - 6.3-11.1 QD2 LEU 62 - HD22 ASN 80 far 0 96 0 - 7.1-25.8 QG2 ILE 40 - HD22 ASN 74 far 0 91 0 - 9.5-13.9 HG12 ILE 68 - HD22 ASN 74 far 0 97 0 - 9.8-17.4 Violated in 18 structures by 1.41 A. Peak 6023 from nnoeabs.peaks (2.75, 7.55, 112.69 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASN 80 + HD21 ASN 80 OK 100 100 100 100 2.1-4.0 3.5=100 HB3 ASN 74 - HD21 ASN 80 far 0 63 0 - 8.1-22.4 Violated in 2 structures by 0.00 A. Peak 6024 from nnoeabs.peaks (2.76, 6.89, 112.69 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 80 + HD22 ASN 80 OK 100 100 100 100 2.3-4.1 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 66 66 100 100 2.1-4.1 3.5=100 HB3 ASN 74 - HD22 ASN 80 far 0 71 0 - 6.5-20.9 HB3 ASN 80 - HD22 ASN 74 far 0 97 0 - 8.5-21.6 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 = 0.24: * HA ASN 74 + H ALA 77 OK 24 100 25 94 3.2-9.6 16040/2.9=90, ~5879=19...(5) HA ASN 80 - H ALA 77 far 5 99 5 - 5.7-12.5 Violated in 15 structures by 2.16 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 10 97 10 - 4.7-9.3 Violated in 19 structures by 2.72 A. Peak 6057 from nnoeabs.peaks (4.47, 8.20, 122.31 ppm; 5.02 A): 1 out of 4 assignments used, quality = 0.68: HA ASP 24 + H ALA 28 OK 68 78 100 86 4.2-5.7 5383/4.6=40, 4157/4.3=33...(10) HA TYR 81 - H ARG 84 far 9 92 10 - 5.5-9.6 HA SER 22 - H ALA 28 far 0 50 0 - 7.6-10.3 HA ASP 46 - H ARG 84 far 0 87 0 - 7.7-41.0 Violated in 9 structures by 0.16 A. Peak 6063 from nnoeabs.peaks (2.04, 7.27, 119.22 ppm; 3.91 A): 1 out of 6 assignments used, quality = 0.98: HG2 PRO 44 + H ASP 47 OK 98 98 100 100 1.9-2.1 2.3/4431=75, 1.8/6064=70...(16) HB2 GLU 50 - H ASP 47 far 15 100 15 - 4.7-5.5 HB VAL 45 - H ASP 47 far 0 65 0 - 5.6-6.1 HB3 GLU 50 - H ASP 47 far 0 100 0 - 6.4-7.3 HD2 ARG 69 - H ASP 47 far 0 99 0 - 7.2-11.9 HD3 ARG 69 - H ASP 47 far 0 99 0 - 8.1-12.2 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 3.5-3.8 1.8/6063=80, 2.3/4431=80...(9) 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 2.8-2.9 2.9=100 HB THR 88 - H GLN 91 lone 1 93 40 3 6.7-9.8 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 = 1.00: HG2 LYS 39 + H ILE 40 OK 93 93 100 100 2.4-5.6 2.9/129=94, 2.9/130=88...(9) HD3 LYS 39 + H ILE 40 OK 83 83 100 100 4.3-5.5 3.5/129=87, 3.5/130=81...(9) HD2 LYS 39 + H ILE 40 OK 81 81 100 100 4.0-6.1 3.5/129=87, 3.5/130=81...(9) HG LEU 64 - H ILE 40 far 0 78 0 - 8.7-10.0 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 2.2-5.2 2.9/129=94, 1837/3.6=91...(11) HG3 ARG 69 - H ILE 40 poor 13 71 30 60 5.9-9.8 4778/4.0=26...(6) HB3 ARG 69 - H ILE 40 far 5 99 5 - 6.0-8.8 QB ALA 20 - H ILE 40 far 0 73 0 - 6.5-17.1 QB ALA 77 - H ILE 40 far 0 68 0 - 9.8-20.4 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 = 0.48: HA ARG 71 + HD21 ASN 74 OK 48 100 55 88 3.5-10.6 16010/3.5=65...(3) Violated in 11 structures by 1.15 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 1.9-3.7 4.3=100 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.75, 7.71, 115.23 ppm; 5.02 A): 2 out of 6 assignments used, quality = 0.86: HB2 LYS 32 + H MET 31 OK 70 73 100 95 4.7-5.8 4.0/89=76, 4.3/5544=53...(4) HB ILE 33 + H MET 31 OK 52 85 65 95 4.6-6.6 3.9/5544=57...(7) HB3 LYS 32 - H MET 31 far 4 73 5 - 5.9-6.4 HG3 ARG 26 - H MET 31 far 0 100 0 - 7.1-10.0 HB3 ARG 17 - H MET 31 far 0 99 0 - 9.5-22.9 HG2 PRO 34 - H MET 31 far 0 97 0 - 9.9-10.9 Violated in 2 structures by 0.00 A. Peak 6130 from nnoeabs.peaks (7.72, 7.27, 119.22 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: H GLU 50 + H ASP 47 OK 100 100 100 100 4.7-5.1 4506/3.0=84, 922/4491=67...(9) H ASN 42 - H ASP 47 far 0 99 0 - 9.9-10.7 Violated in 10 structures by 0.03 A. Peak 6138 from nnoeabs.peaks (1.66, 8.09, 121.69 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 75 + H LYS 75 OK 100 100 100 100 2.0-5.8 3.5/803=81, 5.9=63...(20) HD2 LYS 75 + H LYS 75 OK 100 100 100 100 1.9-5.7 3.5/803=81, 5.9=63...(21) Violated in 1 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (4.23, 8.28, 119.06 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.24: HA ALA 78 + H ASN 80 OK 24 65 80 46 3.1-6.7 5869/3.8=37...(3) HA ALA 77 - H ASN 80 far 15 100 15 - 4.2-9.1 HA LYS 83 - H ASN 80 far 0 97 0 - 7.7-12.1 HA LYS 75 - H ASN 80 far 0 97 0 - 8.6-16.2 HA THR 15 - H ASN 80 far 0 95 0 - 9.0-54.1 HA LYS 39 - H ASN 80 far 0 89 0 - 9.4-32.7 Violated in 15 structures by 0.65 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 - 9.4-11.9 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 4 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 - 8.4-11.6 HG LEU 43 - HA MET 11 far 0 87 0 - 8.9-40.6 HG2 PRO 14 - HA MET 11 far 0 78 0 - 9.4-11.8 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 2 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 47 - HB2 MET 11 far 0 97 0 - 6.6-45.2 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 - 7.5-12.6 HG2 PRO 14 - HB2 MET 11 far 0 78 0 - 8.2-12.5 HG LEU 43 - HB2 MET 11 far 0 87 0 - 8.6-40.7 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 2 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 47 - HB3 MET 11 far 0 97 0 - 6.7-44.0 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 4 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 - 4.9-7.1 HB3 PRO 14 - HB3 MET 11 far 0 100 0 - 7.0-12.4 HB3 GLU 87 - HB VAL 90 far 0 42 0 - 7.5-11.9 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 3 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 59 - HB VAL 90 far 0 62 0 - 8.9-50.9 HG2 GLU 50 - HB3 MET 11 far 0 83 0 - 9.4-46.9 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 2 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-4.2 3.7=100 HA ASP 47 - HG2 MET 11 far 0 97 0 - 9.1-42.9 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 0 100 0 - 8.6-14.1 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 - 8.4-13.5 HG2 PRO 14 - HG2 MET 11 far 0 78 0 - 9.1-13.5 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 2 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.3-4.2 3.7=100 HA ASP 47 - HG3 MET 11 far 0 97 0 - 8.7-43.2 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (1.88, 2.39, 31.51 ppm; 4.68 A): 3 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 HB2 ARG 66 + HB VAL 65 OK 80 98 85 96 5.3-6.7 741/273=74, ~5244=44...(8) HB ILE 68 + HB VAL 65 OK 71 95 75 99 5.1-5.9 ~5964=43, 4704/3.0=41...(16) HG12 ILE 40 - HB VAL 65 far 0 83 0 - 5.9-7.8 HB3 PRO 14 - HG3 MET 11 far 0 100 0 - 8.6-13.9 HB2 LYS 39 - HB VAL 65 far 0 57 0 - 9.0-12.1 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 7 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 91 100 95 96 3.1-5.8 743/273=82, ~6106=31...(8) QE MET 31 - HB VAL 65 far 0 88 0 - 6.0-8.8 HD3 ARG 69 - HB VAL 65 far 0 73 0 - 6.3-10.0 HD2 ARG 69 - HB VAL 65 far 0 73 0 - 6.5-9.3 HG3 PRO 14 - HG3 MET 11 far 0 78 0 - 8.0-13.4 HG2 PRO 14 - HG3 MET 11 far 0 78 0 - 8.5-13.7 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 2.3-2.9 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 3 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 - 8.6-30.3 QB ALA 16 - HA ALA 12 far 0 65 0 - 9.4-12.1 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 6 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 100 100 2.1-2.9 2.9=100 H GLN 79 - QB ALA 16 far 0 42 0 - 6.4-40.0 H ALA 28 - QB ALA 16 far 0 37 0 - 7.0-17.2 H SER 22 - QB ALA 16 far 0 34 0 - 7.3-16.0 H GLN 79 - QB ALA 12 far 0 76 0 - 9.4-47.7 H ALA 77 - QB ALA 16 far 0 57 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 987 from cnoeabs.peaks (4.26, 1.33, 19.07 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 17 + QB ALA 16 OK 25 47 100 54 3.7-4.3 5.0=34, ~22=27, 1146/2.9=3 HA THR 15 - QB ALA 16 poor 18 58 90 34 3.7-5.0 5.0=33 HA GLU 19 - QB ALA 16 far 0 65 0 - 4.7-9.2 HA ALA 20 - QB ALA 16 far 0 65 0 - 5.7-12.2 HA LYS 39 - QB ALA 16 far 0 62 0 - 6.8-19.2 HA THR 15 - QB ALA 12 far 0 96 0 - 6.8-9.3 HA LYS 39 - QB ALA 12 far 0 99 0 - 7.3-29.5 HA ALA 77 - QB ALA 16 far 0 39 0 - 7.9-35.5 HA ASP 38 - QB ALA 16 far 0 46 0 - 8.3-18.8 HA ALA 12 - QB ALA 16 far 0 65 0 - 9.4-12.1 HA ARG 17 - QB ALA 12 far 0 83 0 - 9.8-15.1 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 3 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 100 100 2.3-2.9 3.0=100 H ASN 80 - HA LYS 13 far 0 97 0 - 7.5-60.5 H LYS 13 - HA LEU 43 far 0 92 0 - 8.2-37.7 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 10 assignments used, quality = 1.00: * HB2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 32 - HA LYS 13 far 5 90 5 - 3.7-26.0 HB3 LYS 39 - HA LYS 13 far 0 99 0 - 5.4-31.0 HB2 LYS 32 - HA LYS 13 far 0 90 0 - 5.4-26.9 HB3 LYS 39 - HA LEU 43 far 0 90 0 - 5.5-7.1 HB3 ARG 82 - HA LYS 13 far 0 73 0 - 8.3-60.7 HB2 PRO 34 - HA LYS 13 far 0 97 0 - 9.1-25.1 HB2 ARG 69 - HA LEU 43 far 0 84 0 - 9.4-11.5 HB ILE 33 - HA LYS 13 far 0 81 0 - 9.6-26.0 HB2 LYS 13 - HA LEU 43 far 0 92 0 - 9.8-36.4 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 4 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 85 90 95 99 2.5-5.1 5.4=43, 2.9/994=38...(42) HD2 LYS 13 + HA LYS 13 OK 72 90 80 99 2.6-5.5 5.4=43, 2.9/994=38...(42) HB2 ARG 82 - HA LYS 13 far 0 95 0 - 10.0-62.0 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 9 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 98 100 100 98 2.2-4.2 3.9=81, 470/3.0=44...(16) 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 - 4.9-7.5 HG3 LYS 39 - HA LYS 13 far 0 85 0 - 7.1-30.5 HB3 LEU 43 - HA LYS 13 far 0 93 0 - 7.9-35.6 HB3 ARG 69 - HA LEU 43 far 0 50 0 - 8.6-10.8 QB ALA 30 - HA LYS 13 far 0 78 0 - 8.9-22.6 HG2 LYS 13 - HA LEU 43 far 0 92 0 - 9.3-36.6 HG12 ILE 33 - HA LYS 13 far 0 81 0 - 9.6-27.4 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 6 assignments used, quality = 1.00: * HG3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.2-4.2 3.9=85, 471/3.0=43...(16) 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 - 7.6-12.2 HB3 LEU 43 - HA LYS 13 far 0 85 0 - 7.9-35.6 QB ALA 30 - HA LYS 13 far 0 97 0 - 8.9-22.6 HG12 ILE 33 - HA LYS 13 far 0 96 0 - 9.6-27.4 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 4 assignments used, quality = 1.00: HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.5-5.1 5.4=66, 2.9/994=48...(50) * HD2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.6-5.5 5.4=66, 2.9/994=48...(50) HB3 LYS 13 + HA LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HB2 ARG 82 - HA LYS 13 far 0 60 0 - 10.0-62.0 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 2.0-4.2 4.6=95, 385/3.0=88...(7) H ASN 80 - HB2 LYS 83 far 0 83 0 - 5.7-13.8 H ASN 80 - HB2 LYS 13 far 0 97 0 - 5.8-59.7 H LEU 86 - HB2 LYS 83 far 0 85 0 - 6.4-10.6 H LYS 13 - HB3 LYS 39 far 0 99 0 - 7.8-32.3 H VAL 90 - HB2 LYS 85 far 0 82 0 - 9.3-15.2 H ASN 80 - HB3 LYS 73 far 0 90 0 - 9.4-21.5 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 7 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 13 - HB3 LYS 39 far 5 99 5 - 5.4-31.0 HA LEU 43 - HB3 LYS 39 far 5 97 5 - 5.5-7.1 HA PRO 44 - HB3 LYS 73 far 0 57 0 - 7.4-11.8 HA PRO 44 - HB3 LYS 75 far 0 54 0 - 9.0-19.2 HA PRO 44 - HB3 LYS 39 far 0 63 0 - 9.7-10.9 HA LEU 43 - HB2 LYS 13 far 0 99 0 - 9.8-36.4 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): 4 out of 18 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 13 + HB2 LYS 13 OK 41 90 55 82 2.2-4.2 3.5=32, 1044/3.0=14...(29) HD2 LYS 13 + HB2 LYS 13 OK 40 90 55 81 2.2-4.2 3.5=32, 1044/3.0=15...(29) HD2 LYS 75 + HB3 LYS 75 OK 31 76 50 82 2.1-4.2 3.5=32, 3118/1.8=16...(35) HD3 LYS 75 - HB3 LYS 75 poor 19 76 30 82 2.3-4.2 3.5=32, 3128/1.8=15...(35) HB2 ARG 82 - HB2 LYS 85 far 0 75 0 - 3.9-12.6 HB2 ARG 82 - HB2 LYS 83 far 0 79 0 - 4.0-6.4 HD2 LYS 75 - HB3 LYS 73 far 0 80 0 - 4.4-11.4 HD3 LYS 75 - HB3 LYS 73 far 0 80 0 - 5.0-11.6 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 6.0-8.1 HG2 ARG 70 - HB3 LYS 75 far 0 54 0 - 7.3-13.5 HB3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.0-30.7 HD3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.3-30.1 HD2 LYS 13 - HB3 LYS 39 far 0 88 0 - 9.0-29.8 HG LEU 29 - HB2 LYS 13 far 0 99 0 - 9.1-24.1 HG2 ARG 23 - HB3 LYS 75 far 0 85 0 - 9.5-23.4 HB2 ARG 82 - HB2 LYS 13 far 0 95 0 - 9.5-61.5 HG3 ARG 66 - HB2 LYS 83 far 0 78 0 - 9.8-33.0 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 13 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 - 5.0-9.2 HB3 LEU 43 - HB3 LYS 39 far 0 91 0 - 5.4-7.1 HB3 ARG 69 - HB3 LYS 75 far 0 49 0 - 6.4-14.1 HG2 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.5-31.2 QB ALA 30 - HB2 LYS 13 far 0 78 0 - 7.6-21.7 HG13 ILE 89 - HB2 LYS 85 far 0 71 0 - 8.0-16.4 HB3 ARG 69 - HB3 LYS 39 far 0 57 0 - 8.2-12.1 HG3 LYS 39 - HB2 LYS 13 far 0 85 0 - 8.6-30.7 HG12 ILE 33 - HB2 LYS 13 far 0 81 0 - 9.0-26.7 HB3 LEU 43 - HB3 LYS 73 far 0 85 0 - 9.7-13.7 HG12 ILE 33 - HB3 LYS 39 far 0 78 0 - 9.8-12.8 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 13 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 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 69 69 100 100 2.4-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 far 7 66 10 - 2.2-11.0 HG3 LYS 85 - HB2 LYS 83 far 4 87 5 - 4.0-11.1 HB3 LEU 43 - HB3 LYS 39 far 0 82 0 - 5.4-7.1 QB ALA 30 - HB2 LYS 13 far 0 97 0 - 7.6-21.7 HG13 ILE 89 - HB2 LYS 85 far 0 69 0 - 8.0-16.4 HG3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.8-31.4 HG12 ILE 33 - HB2 LYS 13 far 0 96 0 - 9.0-26.7 HB3 LEU 43 - HB3 LYS 73 far 0 76 0 - 9.7-13.7 HB3 LEU 52 - HB3 LYS 39 far 0 86 0 - 9.8-14.0 HG12 ILE 33 - HB3 LYS 39 far 0 93 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 1005 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 5 out of 15 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 HD3 LYS 13 + HB2 LYS 13 OK 57 100 65 88 2.2-4.2 3.5=38, 1054/3.0=18...(32) HD2 LYS 75 + HB3 LYS 75 OK 56 91 70 88 2.1-4.2 3.5=38, 3128/1.8=21...(36) * HD2 LYS 13 + HB2 LYS 13 OK 53 100 60 88 2.2-4.2 3.5=38, 1044/3.0=18...(31) HD3 LYS 75 + HB3 LYS 75 OK 28 91 35 87 2.3-4.2 3.5=38, 3118/1.8=20...(35) HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 3.9-12.6 HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.0-6.4 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 4.4-11.4 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 5.0-11.6 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.0-30.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.3-30.1 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 9.0-29.8 HG LEU 29 - HB2 LYS 13 far 0 98 0 - 9.1-24.1 HG2 ARG 23 - HB3 LYS 75 far 0 90 0 - 9.5-23.4 HB2 ARG 82 - HB2 LYS 13 far 0 60 0 - 9.5-61.5 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 5 out of 15 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 * HD3 LYS 13 + HB2 LYS 13 OK 57 100 65 88 2.2-4.2 3.5=38, 1054/3.0=18...(32) HD2 LYS 75 + HB3 LYS 75 OK 56 91 70 88 2.1-4.2 3.5=38, 3128/1.8=21...(36) HD2 LYS 13 + HB2 LYS 13 OK 53 100 60 88 2.2-4.2 3.5=38, 1044/3.0=18...(31) HD3 LYS 75 + HB3 LYS 75 OK 28 91 35 87 2.3-4.2 3.5=38, 3118/1.8=20...(35) HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 3.9-12.6 HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.0-6.4 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 4.4-11.4 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 5.0-11.6 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.0-30.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.3-30.1 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 9.0-29.8 HG LEU 29 - HB2 LYS 13 far 0 98 0 - 9.1-24.1 HG2 ARG 23 - HB3 LYS 75 far 0 90 0 - 9.5-23.4 HB2 ARG 82 - HB2 LYS 13 far 0 60 0 - 9.5-61.5 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 2 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.8 3.9=100 H ASN 80 - HB3 LYS 13 far 0 97 0 - 7.3-60.9 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 1 assignment used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 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 5 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 - 5.1-25.8 HB2 LYS 32 - HB3 LYS 13 far 0 90 0 - 6.7-26.8 HB3 ARG 82 - HB3 LYS 13 far 0 73 0 - 7.9-61.0 HB3 LYS 39 - HB3 LYS 13 far 0 99 0 - 8.0-30.7 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 2.2-3.0 3.0=100 QB ALA 30 - HB3 LYS 13 far 0 78 0 - 7.9-23.0 HG3 LYS 39 - HB3 LYS 13 far 0 85 0 - 9.9-30.5 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 2 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 - 7.9-23.0 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 2.2-4.2 3.9=100 HA LEU 43 - HG2 LYS 13 far 0 99 0 - 9.3-36.6 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 5 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 82 - HG2 LYS 13 far 0 73 0 - 6.0-59.5 HB3 LYS 32 - HG2 LYS 13 far 0 90 0 - 6.5-25.0 HB3 LYS 39 - HG2 LYS 13 far 0 99 0 - 7.5-31.2 HB2 LYS 32 - HG2 LYS 13 far 0 90 0 - 8.2-26.5 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 4 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD2 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.4-3.0 2.9=100 HB2 ARG 82 - HG2 LYS 13 far 0 95 0 - 7.6-60.9 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 QB ALA 30 - HG2 LYS 13 far 0 97 0 - 8.0-23.5 HB3 LEU 43 - HG2 LYS 13 far 0 85 0 - 9.3-36.0 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 2.96 A): 3 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 * HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HB2 ARG 82 - HG2 LYS 13 far 0 60 0 - 7.6-60.9 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 2.96 A): 3 out of 4 assignments used, quality = 1.00: * HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HB2 ARG 82 - HG2 LYS 13 far 0 60 0 - 7.6-60.9 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 7 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.0-4.2 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 - 5.1-27.9 HE3 LYS 32 - HG2 LYS 13 far 0 95 0 - 5.7-26.7 HB3 TYR 81 - HG2 LYS 13 far 0 96 0 - 6.4-58.9 HE3 LYS 39 - HG2 LYS 13 far 0 96 0 - 8.0-31.0 HE2 LYS 39 - HG2 LYS 13 far 0 97 0 - 9.1-30.0 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 7 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 2.0-4.2 3.8=100 HE2 LYS 32 - HG2 LYS 13 far 0 95 0 - 5.1-27.9 HE3 LYS 32 - HG2 LYS 13 far 0 96 0 - 5.7-26.7 HB3 TYR 81 - HG2 LYS 13 far 0 95 0 - 6.4-58.9 HE3 LYS 39 - HG2 LYS 13 far 0 95 0 - 8.0-31.0 HE2 LYS 39 - HG2 LYS 13 far 0 97 0 - 9.1-30.0 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 3 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 2 43 5 - 5.7-10.4 HA LEU 43 - HG2 LYS 73 far 0 73 0 - 7.6-12.2 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 12 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 2.2-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 69 69 100 100 2.4-3.0 2.9=100 HB3 LYS 75 - HG2 LYS 73 far 8 77 10 - 2.2-11.0 HB2 LYS 83 - HG3 LYS 85 far 5 96 5 - 4.0-11.1 HB3 ARG 84 - HG3 LYS 85 far 5 92 5 - 4.0-8.4 HB3 ARG 82 - HG3 LYS 13 far 0 73 0 - 6.1-58.5 HB2 ARG 69 - HG2 LYS 73 far 0 68 0 - 6.3-8.6 HB3 LYS 32 - HG3 LYS 13 far 0 90 0 - 6.7-25.4 HB3 ARG 82 - HG3 LYS 85 far 0 70 0 - 6.9-14.3 HB2 LYS 32 - HG3 LYS 13 far 0 90 0 - 8.3-27.1 HB3 LYS 39 - HG3 LYS 13 far 0 99 0 - 8.8-31.4 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 9 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.2-3.0 2.9=100 HD2 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD2 LYS 75 - HG2 LYS 73 far 3 62 5 - 2.9-13.1 HD3 LYS 75 - HG2 LYS 73 far 3 62 5 - 3.9-13.0 HB2 ARG 82 - HG3 LYS 85 far 0 92 0 - 6.0-13.0 HG2 ARG 70 - HG2 LYS 73 far 0 43 0 - 7.4-10.0 HB2 ARG 82 - HG3 LYS 13 far 0 95 0 - 7.7-59.9 HG LEU 29 - HG3 LYS 13 far 0 99 0 - 9.5-26.5 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 5 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 - 5.8-8.2 HB3 LEU 43 - HG2 LYS 73 far 0 67 0 - 7.9-12.5 HG13 ILE 89 - HG3 LYS 85 far 0 87 0 - 8.1-19.0 QB ALA 30 - HG3 LYS 13 far 0 78 0 - 8.2-23.6 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; 2.89 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1054=35...(55) HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 2.9=95, 1.8/1044=35...(55) HB3 LYS 13 + HG3 LYS 13 OK 89 90 100 99 2.2-3.0 3.0=93, 3.9/471=20...(22) HD2 LYS 75 - HG2 LYS 73 far 4 77 5 - 2.9-13.1 HD3 LYS 75 - HG2 LYS 73 far 0 77 0 - 3.9-13.0 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 6.0-13.0 HB2 ARG 82 - HG3 LYS 13 far 0 60 0 - 7.7-59.9 HG LEU 29 - HG3 LYS 13 far 0 98 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 1036 from cnoeabs.peaks (1.67, 1.46, 24.46 ppm; 2.89 A): 3 out of 8 assignments used, quality = 1.00: HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1054=35...(55) * HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 2.9=95, 1.8/1044=35...(55) HB3 LYS 13 + HG3 LYS 13 OK 89 90 100 99 2.2-3.0 3.0=93, 3.9/471=20...(22) HD2 LYS 75 - HG2 LYS 73 far 4 77 5 - 2.9-13.1 HD3 LYS 75 - HG2 LYS 73 far 0 77 0 - 3.9-13.0 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 6.0-13.0 HB2 ARG 82 - HG3 LYS 13 far 0 60 0 - 7.7-59.9 HG LEU 29 - HG3 LYS 13 far 0 98 0 - 9.5-26.5 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: * HE2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-4.2 3.8=100 HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-4.1 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 67 67 100 100 2.1-4.2 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 65 65 100 100 2.0-3.7 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 5 93 5 - 4.0-27.2 HE2 LYS 75 - HG2 LYS 73 far 4 75 5 - 4.1-14.2 HE3 LYS 75 - HG2 LYS 73 far 4 74 5 - 3.8-13.1 HE3 LYS 32 - HG3 LYS 13 far 0 95 0 - 5.0-26.9 HB3 TYR 81 - HG3 LYS 13 far 0 96 0 - 5.4-57.9 HB3 TYR 81 - HG3 LYS 85 far 0 93 0 - 8.7-17.1 HE3 LYS 39 - HG3 LYS 13 far 0 96 0 - 9.8-31.5 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 2.2-4.1 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-4.2 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 68 68 100 100 2.1-4.2 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 67 67 100 100 2.0-3.7 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 5 95 5 - 4.0-27.2 HE2 LYS 75 - HG2 LYS 73 far 4 75 5 - 4.1-14.2 HE3 LYS 75 - HG2 LYS 73 far 4 75 5 - 3.8-13.1 HE3 LYS 32 - HG3 LYS 13 far 0 96 0 - 5.0-26.9 HB3 TYR 81 - HG3 LYS 13 far 0 95 0 - 5.4-57.9 HB3 TYR 81 - HG3 LYS 85 far 0 92 0 - 8.7-17.1 HE3 LYS 39 - HG3 LYS 13 far 0 95 0 - 9.8-31.5 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 4 assignments used, quality = 1.00: HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-5.1 5.4=74, 994/2.9=50...(50) * HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.6-5.5 5.4=74, 994/2.9=50...(50) HA PRO 44 - HD3 LYS 75 far 0 65 0 - 8.5-20.0 HA PRO 44 - HD2 LYS 75 far 0 65 0 - 8.9-19.4 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.51 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 96 5 - 4.4-11.4 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 5.0-11.6 HB3 ARG 82 - HD3 LYS 13 far 0 73 0 - 5.2-57.9 HB3 ARG 82 - HD2 LYS 13 far 0 73 0 - 6.2-57.0 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 7.3-24.5 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 8.1-25.4 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 8.3-30.1 HB3 LYS 32 - HD3 LYS 13 far 0 90 0 - 8.3-24.3 HB2 ARG 69 - HD3 LYS 75 far 0 94 0 - 8.8-16.9 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 9.0-29.8 HB2 ARG 69 - HD2 LYS 75 far 0 94 0 - 9.0-16.9 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 9.7-25.8 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; 2.82 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=88, 1.8/1035=22...(53) HG2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1036=22...(53) HB3 ARG 69 - HD3 LYS 75 far 0 60 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 60 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 9.4-30.7 QB ALA 30 - HD3 LYS 13 far 0 78 0 - 9.6-23.7 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 2.77 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(49) HG3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=84, 1036/1.8=21...(49) HG2 LYS 73 - HD2 LYS 75 far 4 78 5 - 2.9-13.1 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 3.9-13.0 QB ALA 30 - HD3 LYS 13 far 0 97 0 - 9.6-23.7 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 21 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) * HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 92 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 93 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 93 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 96 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 96 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.8-29.8 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 21 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) * HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 93 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 94 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 94 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 95 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 95 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 9.8-29.8 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 4 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-5.1 5.4=74, 994/2.9=50...(50) HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.6-5.5 5.4=74, 994/2.9=50...(50) HA PRO 44 - HD3 LYS 75 far 0 65 0 - 8.5-20.0 HA PRO 44 - HD2 LYS 75 far 0 65 0 - 8.9-19.4 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.51 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 * HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 96 5 - 4.4-11.4 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 5.0-11.6 HB3 ARG 82 - HD3 LYS 13 far 0 73 0 - 5.2-57.9 HB3 ARG 82 - HD2 LYS 13 far 0 73 0 - 6.2-57.0 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 7.3-24.5 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 8.1-25.4 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 8.3-30.1 HB3 LYS 32 - HD3 LYS 13 far 0 90 0 - 8.3-24.3 HB2 ARG 69 - HD3 LYS 75 far 0 94 0 - 8.8-16.9 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 9.0-29.8 HB2 ARG 69 - HD2 LYS 75 far 0 94 0 - 9.0-16.9 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 9.7-25.8 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; 2.82 A): 2 out of 6 assignments used, quality = 1.00: HG2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=88, 1.8/1035=22...(53) * HG2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1036=22...(53) HB3 ARG 69 - HD3 LYS 75 far 0 60 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 60 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 9.4-30.7 QB ALA 30 - HD3 LYS 13 far 0 78 0 - 9.6-23.7 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 2.77 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(49) * HG3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=84, 1036/1.8=21...(49) HG2 LYS 73 - HD2 LYS 75 far 4 78 5 - 2.9-13.1 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 3.9-13.0 QB ALA 30 - HD3 LYS 13 far 0 97 0 - 9.6-23.7 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 21 assignments used, quality = 1.00: * HE2 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 92 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 93 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 93 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 96 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 96 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.8-29.8 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 21 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) * HE3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 93 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 94 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 94 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 95 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 95 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (1.79, 2.97, 41.89 ppm; 3.47 A): 11 out of 44 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 71 90 80 98 3.0-5.0 4.7=41, 2.9/1906=24...(39) * HB2 LYS 13 + HE2 LYS 13 OK 61 100 65 94 2.4-4.8 5.2=29, 3.0/1064=17...(29) HB3 LYS 32 + HE3 LYS 32 OK 57 78 75 98 2.1-4.9 4.6=44, 2.9/1638=21...(43) HB3 LYS 32 + HE2 LYS 32 OK 56 76 75 98 2.2-4.5 4.6=44, 2.9/1638=21...(43) HB2 LYS 13 + HE3 LYS 13 OK 47 100 50 95 2.0-5.1 5.2=29, 3.0/1064=18...(37) HB3 LYS 75 + HE3 LYS 75 OK 47 97 50 97 2.5-5.2 5.0=34, ~3128=17...(36) HB2 LYS 32 + HE3 LYS 32 OK 42 78 55 98 2.7-5.1 4.6=44, 2.9/1638=21...(43) HB2 LYS 32 + HE2 LYS 32 OK 41 76 55 98 2.8-5.3 4.6=44, 2.9/1638=21...(43) HB3 LYS 73 + HE3 LYS 73 OK 37 81 50 93 2.0-4.8 4.7=41, ~3020=18...(30) HB3 LYS 75 + HE2 LYS 75 OK 33 97 35 97 2.0-5.2 5.0=34, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 31 82 40 93 2.9-5.4 4.7=41, ~3020=18...(30) HB3 LYS 39 - HE2 LYS 39 poor 18 92 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 90 5 - 3.7-11.6 HB2 LYS 13 - HE2 LYS 32 far 4 90 5 - 4.2-25.8 HB3 LYS 75 - HE3 LYS 73 far 4 88 5 - 4.2-12.7 HB3 ARG 82 - HE3 LYS 13 far 0 73 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 73 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 90 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 79 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 90 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 81 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 63 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.1-12.6 HB2 PRO 34 - HE3 LYS 39 far 0 87 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 85 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 69 0 - 7.6-11.4 HB ILE 33 - HE3 LYS 32 far 0 68 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 67 0 - 7.9-10.5 HB2 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 95 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 86 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 86 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 65 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 64 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 89 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1062 from cnoeabs.peaks (1.68, 2.97, 41.89 ppm; 2.71 A): 10 out of 37 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 86 90 100 95 2.2-3.0 2.9=78, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 86 90 100 95 2.4-3.0 2.9=78, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 86 90 100 95 2.3-3.0 2.9=78, 1054/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 86 90 100 95 2.4-3.0 2.9=78, 1054/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 76 83 100 92 2.4-3.0 2.9=78, 1.8/1048=8...(25) HD3 LYS 75 + HE2 LYS 75 OK 76 83 100 92 2.2-3.0 2.9=78, 1.8/1048=8...(25) HD2 LYS 75 + HE3 LYS 75 OK 76 82 100 92 2.2-3.0 2.9=78, 1.8/3124=8...(25) HD3 LYS 75 + HE3 LYS 75 OK 76 82 100 92 2.5-3.0 2.9=78, 1.8/3124=8...(25) HB3 LYS 13 + HE3 LYS 13 OK 26 100 30 87 2.0-5.3 5.2=14, 3.0/1064=11...(50) * HB3 LYS 13 + HE2 LYS 13 OK 26 100 30 86 2.0-5.1 5.2=14, 3.0/1064=10...(50) HD2 LYS 75 - HE3 LYS 73 far 7 73 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 75 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 73 0 - 4.4-15.0 HG2 ARG 70 - HE2 LYS 75 far 0 60 0 - 4.7-16.7 HB3 LYS 13 - HE3 LYS 32 far 0 91 0 - 4.7-26.4 HG2 ARG 70 - HE3 LYS 75 far 0 60 0 - 5.3-16.9 HD2 LYS 13 - HE3 LYS 32 far 0 78 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 94 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 75 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 95 0 - 6.1-60.8 HG2 ARG 70 - HE3 LYS 73 far 0 52 0 - 6.6-11.6 HG2 ARG 70 - HE2 LYS 73 far 0 53 0 - 6.8-12.0 HD3 LYS 13 - HE2 LYS 32 far 0 76 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 66 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 78 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 65 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 79 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 89 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 82 0 - 9.1-28.7 HB3 LEU 64 - HE2 LYS 32 far 0 76 0 - 9.3-15.1 HB3 GLN 61 - HE2 LYS 39 far 0 69 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 93 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 79 0 - 9.8-29.8 HB3 LEU 64 - HE3 LYS 32 far 0 78 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.42, 2.97, 41.89 ppm; 3.21 A): 4 out of 28 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 93 100 95 98 2.0-4.2 3.8=60, 1043/2.9=29...(55) HG2 LYS 13 + HE3 LYS 13 OK 89 100 90 98 2.2-4.2 3.8=60, 1043/2.9=29...(55) HG3 LYS 39 + HE2 LYS 39 OK 75 76 100 99 2.0-3.7 3.6=72, 1.8/1906=27...(57) HG3 LYS 39 + HE3 LYS 39 OK 73 74 100 99 2.0-4.0 3.6=72, 1.8/1906=27...(48) HB3 ARG 69 - HE3 LYS 73 far 0 47 0 - 4.6-9.7 HB3 LEU 43 - HE2 LYS 39 far 0 85 0 - 5.0-8.9 HG2 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.1-27.9 HB3 ARG 69 - HE2 LYS 73 far 0 48 0 - 5.2-8.5 QB ALA 30 - HE2 LYS 32 far 0 65 0 - 5.3-9.4 HB3 LEU 43 - HE3 LYS 39 far 0 82 0 - 5.4-7.7 HG2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.7-26.7 QB ALA 30 - HE3 LYS 32 far 0 66 0 - 5.8-9.0 HB3 LEU 43 - HE3 LYS 73 far 0 78 0 - 6.0-11.1 HG12 ILE 33 - HE2 LYS 32 far 0 67 0 - 6.8-9.7 HB3 LEU 43 - HE2 LYS 73 far 0 80 0 - 7.0-11.0 HG12 ILE 33 - HE3 LYS 32 far 0 68 0 - 7.1-9.7 HG2 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.0-31.0 QB ALA 30 - HE2 LYS 13 far 0 78 0 - 8.4-23.0 HB3 ARG 69 - HE2 LYS 75 far 0 55 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 55 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 69 0 - 9.1-13.3 HG12 ILE 33 - HE2 LYS 39 far 0 72 0 - 9.1-14.8 HG2 LYS 13 - HE2 LYS 39 far 0 95 0 - 9.1-30.0 QB ALA 30 - HE3 LYS 13 far 0 78 0 - 9.1-22.3 HG12 ILE 33 - HE3 LYS 39 far 0 69 0 - 9.4-13.7 HB3 ARG 69 - HE3 LYS 39 far 0 50 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 52 0 - 9.5-13.5 HG3 LYS 39 - HE2 LYS 73 far 0 71 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1064 from cnoeabs.peaks (1.46, 2.97, 41.89 ppm; 3.32 A): 4 out of 26 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.2-4.1 3.8=66, 1054/2.9=31...(51) * HG3 LYS 13 + HE2 LYS 13 OK 93 100 95 98 2.3-4.2 3.8=66, 1054/2.9=31...(51) HG2 LYS 73 + HE3 LYS 73 OK 60 63 100 95 2.0-3.7 3.7=72, 2.9/3030=13...(48) HG2 LYS 73 + HE2 LYS 73 OK 55 65 90 96 2.1-4.2 3.7=72, 2.9/3030=12...(48) HG3 LYS 13 - HE2 LYS 32 far 4 90 5 - 4.0-27.2 HG2 LYS 73 - HE2 LYS 75 far 4 73 5 - 4.1-14.2 HG2 LYS 73 - HE3 LYS 75 far 4 72 5 - 3.8-13.1 HB3 LEU 43 - HE2 LYS 39 far 0 76 0 - 5.0-8.9 HG3 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.0-26.9 QB ALA 30 - HE2 LYS 32 far 0 84 0 - 5.3-9.4 HB3 LEU 43 - HE3 LYS 39 far 0 74 0 - 5.4-7.7 QB ALA 30 - HE3 LYS 32 far 0 85 0 - 5.8-9.0 HB3 LEU 43 - HE3 LYS 73 far 0 69 0 - 6.0-11.1 HG12 ILE 33 - HE2 LYS 32 far 0 82 0 - 6.8-9.7 HB3 LEU 43 - HE2 LYS 73 far 0 71 0 - 7.0-11.0 HG12 ILE 33 - HE3 LYS 32 far 0 84 0 - 7.1-9.7 QB ALA 30 - HE2 LYS 13 far 0 97 0 - 8.4-23.0 HB3 LEU 57 - HE3 LYS 32 far 0 84 0 - 8.8-14.7 HG12 ILE 33 - HE2 LYS 39 far 0 87 0 - 9.1-14.8 QB ALA 30 - HE3 LYS 13 far 0 97 0 - 9.1-22.3 HB3 LEU 52 - HE3 LYS 39 far 0 77 0 - 9.2-14.2 HB3 LEU 57 - HE2 LYS 39 far 0 87 0 - 9.4-16.3 HG12 ILE 33 - HE3 LYS 39 far 0 85 0 - 9.4-13.7 HB3 LEU 52 - HE2 LYS 39 far 0 80 0 - 9.6-14.2 HB3 LEU 57 - HE2 LYS 32 far 0 82 0 - 9.7-14.8 HG3 LYS 13 - HE3 LYS 39 far 0 93 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 8 out of 31 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) * HD2 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 83 97 100 86 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 97 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE3 LYS 75 OK 83 97 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.5-3.0 2.9=66, 3125/1.8=7...(25) HB3 LYS 13 - HE2 LYS 13 poor 18 90 25 81 2.0-5.1 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 - HE3 LYS 13 poor 18 90 20 - 2.0-5.3 HD2 LYS 75 - HE3 LYS 73 far 9 88 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 90 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 60 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 90 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 60 0 - 6.1-60.8 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 93 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 79 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 8 out of 31 assignments used, quality = 1.00: * HD3 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 83 97 100 86 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 97 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE3 LYS 75 OK 83 97 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.5-3.0 2.9=66, 3125/1.8=7...(25) HB3 LYS 13 - HE2 LYS 13 poor 18 90 25 81 2.0-5.1 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 - HE3 LYS 13 poor 18 90 20 - 2.0-5.3 HD2 LYS 75 - HE3 LYS 73 far 9 88 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 90 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 60 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 90 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 60 0 - 6.1-60.8 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 93 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 79 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 9.8-29.8 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): 11 out of 44 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 70 89 80 98 3.0-5.0 4.7=41, 2.9/1906=23...(39) HB2 LYS 13 + HE2 LYS 13 OK 61 100 65 94 2.4-4.8 5.2=29, 3.0/1064=17...(29) HB3 LYS 32 + HE3 LYS 32 OK 58 79 75 98 2.1-4.9 4.6=44, 2.9/1638=22...(43) HB3 LYS 32 + HE2 LYS 32 OK 57 78 75 98 2.2-4.5 4.6=44, 2.9/1638=22...(43) * HB2 LYS 13 + HE3 LYS 13 OK 47 100 50 95 2.0-5.1 5.2=29, 3.0/1064=18...(37) HB3 LYS 75 + HE3 LYS 75 OK 47 97 50 97 2.5-5.2 5.0=34, ~3128=17...(36) HB2 LYS 32 + HE3 LYS 32 OK 43 79 55 98 2.7-5.1 4.6=44, 2.9/1638=22...(43) HB2 LYS 32 + HE2 LYS 32 OK 42 78 55 98 2.8-5.3 4.6=44, 2.9/1638=22...(43) HB3 LYS 73 + HE3 LYS 73 OK 38 82 50 93 2.0-4.8 4.7=41, ~3020=18...(30) HB3 LYS 75 + HE2 LYS 75 OK 33 98 35 97 2.0-5.2 5.0=34, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 31 84 40 93 2.9-5.4 4.7=41, ~3020=18...(30) HB3 LYS 39 - HE2 LYS 39 poor 18 91 20 - 2.0-5.3 HB2 LYS 13 - HE2 LYS 32 far 5 91 5 - 4.2-25.8 HB3 LYS 73 - HE3 LYS 75 far 5 91 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 4 90 5 - 4.2-12.7 HB3 ARG 82 - HE3 LYS 13 far 0 73 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 73 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 91 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 81 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 89 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 82 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 64 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.1-12.6 HB2 PRO 34 - HE3 LYS 39 far 0 86 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 86 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 7.6-11.4 HB ILE 33 - HE3 LYS 32 far 0 69 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 68 0 - 7.9-10.5 HB2 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 94 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 87 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 85 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 82 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 66 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 64 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 65 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 90 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (1.68, 2.96, 41.89 ppm; 2.71 A): 10 out of 37 assignments used, quality = 1.00: HD2 LYS 13 + HE3 LYS 13 OK 86 90 100 95 2.3-3.0 2.9=78, 1054/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 86 90 100 95 2.4-3.0 2.9=78, 1044/3.8=13...(31) HD3 LYS 13 + HE2 LYS 13 OK 86 90 100 95 2.2-3.0 2.9=78, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 86 90 100 95 2.4-3.0 2.9=78, 1044/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 77 84 100 92 2.4-3.0 2.9=78, 1.8/3124=8...(25) HD3 LYS 75 + HE2 LYS 75 OK 77 84 100 92 2.2-3.0 2.9=78, 1.8/3124=8...(25) HD2 LYS 75 + HE3 LYS 75 OK 76 83 100 92 2.2-3.0 2.9=78, 1.8/3124=8...(25) HD3 LYS 75 + HE3 LYS 75 OK 76 83 100 92 2.5-3.0 2.9=78, 1.8/3124=8...(25) * HB3 LYS 13 + HE3 LYS 13 OK 26 100 30 87 2.0-5.3 5.2=14, 3.0/1064=11...(50) HB3 LYS 13 + HE2 LYS 13 OK 26 100 30 86 2.0-5.1 5.2=14, 3.0/1064=10...(50) HD2 LYS 75 - HE3 LYS 73 far 7 75 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 76 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 75 0 - 4.4-15.0 HG2 ARG 70 - HE2 LYS 75 far 0 61 0 - 4.7-16.7 HB3 LYS 13 - HE3 LYS 32 far 0 93 0 - 4.7-26.4 HG2 ARG 70 - HE3 LYS 75 far 0 60 0 - 5.3-16.9 HD2 LYS 13 - HE3 LYS 32 far 0 79 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 95 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 76 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 94 0 - 6.1-60.8 HG2 ARG 70 - HE3 LYS 73 far 0 53 0 - 6.6-11.6 HG2 ARG 70 - HE2 LYS 73 far 0 54 0 - 6.8-12.0 HD3 LYS 13 - HE2 LYS 32 far 0 78 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 67 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 79 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 66 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 89 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 78 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 90 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 80 0 - 9.1-28.7 HB3 LEU 64 - HE2 LYS 32 far 0 78 0 - 9.3-15.1 HB3 GLN 61 - HE2 LYS 39 far 0 68 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 91 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 78 0 - 9.8-29.8 HB3 LEU 64 - HE3 LYS 32 far 0 79 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (1.42, 2.96, 41.89 ppm; 3.21 A): 4 out of 28 assignments used, quality = 1.00: HG2 LYS 13 + HE2 LYS 13 OK 93 100 95 98 2.0-4.2 3.8=60, 1043/2.9=29...(55) * HG2 LYS 13 + HE3 LYS 13 OK 89 100 90 98 2.2-4.2 3.8=60, 1043/2.9=29...(55) HG3 LYS 39 + HE2 LYS 39 OK 74 75 100 99 2.0-3.7 3.6=72, 1.8/1906=26...(57) HG3 LYS 39 + HE3 LYS 39 OK 72 72 100 99 2.0-4.0 3.6=72, 1.8/1906=26...(48) HB3 ARG 69 - HE3 LYS 73 far 0 48 0 - 4.6-9.7 HB3 LEU 43 - HE2 LYS 39 far 0 84 0 - 5.0-8.9 HG2 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.1-27.9 HB3 ARG 69 - HE2 LYS 73 far 0 49 0 - 5.2-8.5 QB ALA 30 - HE2 LYS 32 far 0 66 0 - 5.3-9.4 HB3 LEU 43 - HE3 LYS 39 far 0 81 0 - 5.4-7.7 HG2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.7-26.7 QB ALA 30 - HE3 LYS 32 far 0 67 0 - 5.8-9.0 HB3 LEU 43 - HE3 LYS 73 far 0 80 0 - 6.0-11.1 HG12 ILE 33 - HE2 LYS 32 far 0 68 0 - 6.8-9.7 HB3 LEU 43 - HE2 LYS 73 far 0 81 0 - 7.0-11.0 HG12 ILE 33 - HE3 LYS 32 far 0 69 0 - 7.1-9.7 HG2 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.0-31.0 QB ALA 30 - HE2 LYS 13 far 0 78 0 - 8.4-23.0 HB3 ARG 69 - HE2 LYS 75 far 0 56 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 55 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.1-13.3 HG12 ILE 33 - HE2 LYS 39 far 0 71 0 - 9.1-14.8 HG2 LYS 13 - HE2 LYS 39 far 0 94 0 - 9.1-30.0 QB ALA 30 - HE3 LYS 13 far 0 78 0 - 9.1-22.3 HG12 ILE 33 - HE3 LYS 39 far 0 68 0 - 9.4-13.7 HB3 ARG 69 - HE3 LYS 39 far 0 49 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 51 0 - 9.5-13.5 HG3 LYS 39 - HE2 LYS 73 far 0 72 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1074 from cnoeabs.peaks (1.46, 2.96, 41.89 ppm; 3.32 A): 4 out of 26 assignments used, quality = 1.00: * HG3 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.2-4.1 3.8=66, 1054/2.9=31...(51) HG3 LYS 13 + HE2 LYS 13 OK 93 100 95 98 2.3-4.2 3.8=66, 1054/2.9=31...(51) HG2 LYS 73 + HE3 LYS 73 OK 62 65 100 95 2.0-3.7 3.7=72, 2.9/3030=13...(48) HG2 LYS 73 + HE2 LYS 73 OK 57 66 90 96 2.1-4.2 3.7=72, 2.9/3030=12...(48) HG3 LYS 13 - HE2 LYS 32 far 5 91 5 - 4.0-27.2 HG2 LYS 73 - HE2 LYS 75 far 4 73 5 - 4.1-14.2 HG2 LYS 73 - HE3 LYS 75 far 4 73 5 - 3.8-13.1 HB3 LEU 43 - HE2 LYS 39 far 0 75 0 - 5.0-8.9 HG3 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.0-26.9 QB ALA 30 - HE2 LYS 32 far 0 85 0 - 5.3-9.4 HB3 LEU 43 - HE3 LYS 39 far 0 72 0 - 5.4-7.7 QB ALA 30 - HE3 LYS 32 far 0 86 0 - 5.8-9.0 HB3 LEU 43 - HE3 LYS 73 far 0 71 0 - 6.0-11.1 HG12 ILE 33 - HE2 LYS 32 far 0 84 0 - 6.8-9.7 HB3 LEU 43 - HE2 LYS 73 far 0 72 0 - 7.0-11.0 HG12 ILE 33 - HE3 LYS 32 far 0 85 0 - 7.1-9.7 QB ALA 30 - HE2 LYS 13 far 0 97 0 - 8.4-23.0 HB3 LEU 57 - HE3 LYS 32 far 0 85 0 - 8.8-14.7 HG12 ILE 33 - HE2 LYS 39 far 0 86 0 - 9.1-14.8 QB ALA 30 - HE3 LYS 13 far 0 97 0 - 9.1-22.3 HB3 LEU 52 - HE3 LYS 39 far 0 76 0 - 9.2-14.2 HB3 LEU 57 - HE2 LYS 39 far 0 86 0 - 9.4-16.3 HG12 ILE 33 - HE3 LYS 39 far 0 84 0 - 9.4-13.7 HB3 LEU 52 - HE2 LYS 39 far 0 79 0 - 9.6-14.2 HB3 LEU 57 - HE2 LYS 32 far 0 84 0 - 9.7-14.8 HG3 LYS 13 - HE3 LYS 39 far 0 91 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 8 out of 31 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) * HD2 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 84 98 100 86 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 98 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE3 LYS 75 OK 83 97 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.5-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE2 LYS 13 poor 18 90 25 81 2.0-5.1 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 - HE3 LYS 13 poor 18 90 20 - 2.0-5.3 HD2 LYS 75 - HE3 LYS 73 far 9 90 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 91 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 60 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 91 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 60 0 - 6.1-60.8 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 92 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 78 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 8 out of 31 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) * HD3 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 91 100 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE2 LYS 75 OK 84 98 100 86 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 98 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE3 LYS 75 OK 83 97 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.5-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE2 LYS 13 poor 18 90 25 81 2.0-5.1 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 - HE3 LYS 13 poor 18 90 20 - 2.0-5.3 HD2 LYS 75 - HE3 LYS 73 far 9 90 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 91 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.4-26.6 HB2 ARG 82 - HE3 LYS 13 far 0 60 0 - 5.6-60.2 HD3 LYS 75 - HE2 LYS 73 far 0 91 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.9-26.0 HB2 ARG 82 - HE2 LYS 13 far 0 60 0 - 6.1-60.8 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 92 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 78 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 9.8-29.8 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 HB2 MET 11 - HD2 PRO 14 far 0 100 0 - 6.3-10.3 HB3 PRO 34 - HD2 PRO 14 far 0 95 0 - 6.3-25.3 HG12 ILE 40 - HD2 PRO 14 far 0 87 0 - 9.9-29.4 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 7 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 HG LEU 43 - HD2 PRO 14 far 0 100 0 - 4.3-32.8 HB3 GLN 79 - HD2 PRO 14 far 0 97 0 - 6.0-59.4 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 6.5-9.9 HB2 GLN 79 - HD2 PRO 14 far 0 87 0 - 6.6-59.0 QE MET 31 - HD2 PRO 14 far 0 100 0 - 9.1-25.4 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 7 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 HG LEU 43 - HD2 PRO 14 far 0 100 0 - 4.3-32.8 HB3 GLN 79 - HD2 PRO 14 far 0 97 0 - 6.0-59.4 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 6.5-9.9 HB2 GLN 79 - HD2 PRO 14 far 0 87 0 - 6.6-59.0 QE MET 31 - HD2 PRO 14 far 0 100 0 - 9.1-25.4 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 2 assignments used, quality = 1.00: * HD3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 40 - HD2 PRO 14 far 0 90 0 - 8.6-31.2 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 - 5.2-24.4 HB2 MET 11 - HD3 PRO 14 far 0 100 0 - 5.3-10.5 HG12 ILE 40 - HD3 PRO 14 far 0 87 0 - 8.9-29.2 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 7 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 HG LEU 43 - HD3 PRO 14 far 5 100 5 - 4.2-32.5 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 5.5-9.8 HB3 GLN 79 - HD3 PRO 14 far 0 97 0 - 6.1-59.7 HB2 GLN 79 - HD3 PRO 14 far 0 87 0 - 6.7-59.3 QE MET 31 - HD3 PRO 14 far 0 100 0 - 9.0-25.1 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 7 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 HG LEU 43 - HD3 PRO 14 far 5 100 5 - 4.2-32.5 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 5.5-9.8 HB3 GLN 79 - HD3 PRO 14 far 0 97 0 - 6.1-59.7 HB2 GLN 79 - HD3 PRO 14 far 0 87 0 - 6.7-59.3 QE MET 31 - HD3 PRO 14 far 0 100 0 - 9.0-25.1 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 1 assignment used, quality = 1.00: * HB2 PRO 14 + HA PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 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 3 assignments used, quality = 1.00: * HB3 PRO 14 + HA PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 34 - HA PRO 14 far 0 95 0 - 6.5-25.0 HB2 MET 11 - HA PRO 14 far 0 100 0 - 6.9-12.0 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 6 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 - 6.1-11.8 HG LEU 43 - HA PRO 14 far 0 100 0 - 7.1-31.3 HB3 GLN 79 - HA PRO 14 far 0 97 0 - 8.6-56.2 HB2 GLN 79 - HA PRO 14 far 0 87 0 - 8.6-55.9 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 6 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 - 6.1-11.8 HG LEU 43 - HA PRO 14 far 0 100 0 - 7.1-31.3 HB3 GLN 79 - HA PRO 14 far 0 97 0 - 8.6-56.2 HB2 GLN 79 - HA PRO 14 far 0 87 0 - 8.6-55.9 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 5 assignments used, quality = 1.00: * HB3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 34 - HB2 PRO 14 far 0 95 0 - 5.1-23.3 HB2 MET 11 - HB2 PRO 14 far 0 100 0 - 8.7-13.6 HB3 ARG 26 - HB2 PRO 14 far 0 99 0 - 9.2-23.9 HG12 ILE 40 - HB2 PRO 14 far 0 87 0 - 9.9-26.5 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 6 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 HG LEU 43 - HB2 PRO 14 far 0 100 0 - 5.5-30.1 HB2 GLN 79 - HB2 PRO 14 far 0 87 0 - 6.4-56.1 HB3 GLN 79 - HB2 PRO 14 far 0 97 0 - 6.8-56.4 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 8.3-13.4 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 6 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 HG LEU 43 - HB2 PRO 14 far 0 100 0 - 5.5-30.1 HB2 GLN 79 - HB2 PRO 14 far 0 87 0 - 6.4-56.1 HB3 GLN 79 - HB2 PRO 14 far 0 97 0 - 6.8-56.4 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 8.3-13.4 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 2 assignments used, quality = 1.00: * HD3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 3.9-4.0 3.0=100 HA ILE 40 - HB2 PRO 14 far 0 90 0 - 8.9-28.5 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 6 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 HG LEU 43 - HB3 PRO 14 far 0 100 0 - 5.4-31.2 HB2 GLN 79 - HB3 PRO 14 far 0 87 0 - 6.7-57.1 HB3 GLN 79 - HB3 PRO 14 far 0 97 0 - 6.8-57.4 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 7.0-12.4 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 6 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 HG LEU 43 - HB3 PRO 14 far 0 100 0 - 5.4-31.2 HB2 GLN 79 - HB3 PRO 14 far 0 87 0 - 6.7-57.1 HB3 GLN 79 - HB3 PRO 14 far 0 97 0 - 6.8-57.4 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 7.0-12.4 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 2 assignments used, quality = 1.00: * HD3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 3.0-3.9 3.0=100 HA ILE 40 - HB3 PRO 14 far 0 90 0 - 9.3-29.5 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 5 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 HA PRO 14 - HG LEU 43 far 0 63 0 - 7.1-31.3 HA TYR 81 - HG3 PRO 14 far 0 100 0 - 8.3-59.0 HA TYR 81 - HG2 PRO 14 far 0 100 0 - 8.5-58.0 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 3 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 HB2 PRO 14 - HG LEU 43 far 0 63 0 - 5.5-30.1 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 13 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 - HG3 PRO 14 far 5 95 5 - 3.8-25.3 HB3 PRO 14 - HG LEU 43 far 0 63 0 - 5.4-31.2 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 5.5-23.8 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 6.2-8.2 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 7.5-12.6 HG12 ILE 40 - HG2 PRO 14 far 0 87 0 - 8.1-27.8 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 8.2-12.5 HG12 ILE 40 - HG3 PRO 14 far 0 87 0 - 8.5-29.0 HB2 MET 11 - HG LEU 43 far 0 62 0 - 8.6-40.7 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 9.3-24.7 HB3 ARG 26 - HG3 PRO 14 far 0 99 0 - 9.5-25.7 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 4 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 HD2 PRO 14 - HG LEU 43 far 0 63 0 - 4.3-32.8 HA LEU 52 - HG LEU 43 far 0 45 0 - 10.0-11.2 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 7 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 poor 13 51 25 - 4.4-5.1 HD3 PRO 14 - HG LEU 43 far 3 63 5 - 4.2-32.5 HA ILE 40 - HG3 PRO 14 far 0 90 0 - 7.1-31.0 HA ILE 40 - HG2 PRO 14 far 0 90 0 - 7.2-29.8 HA ARG 69 - HG LEU 43 far 0 56 0 - 8.8-10.1 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 5 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 HA PRO 14 - HG LEU 43 far 0 63 0 - 7.1-31.3 HA TYR 81 - HG3 PRO 14 far 0 100 0 - 8.3-59.0 HA TYR 81 - HG2 PRO 14 far 0 100 0 - 8.5-58.0 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 3 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 HB2 PRO 14 - HG LEU 43 far 0 63 0 - 5.5-30.1 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 13 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 - HG3 PRO 14 far 5 95 5 - 3.8-25.3 HB3 PRO 14 - HG LEU 43 far 0 63 0 - 5.4-31.2 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 5.5-23.8 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 6.2-8.2 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 7.5-12.6 HG12 ILE 40 - HG2 PRO 14 far 0 87 0 - 8.1-27.8 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 8.2-12.5 HG12 ILE 40 - HG3 PRO 14 far 0 87 0 - 8.5-29.0 HB2 MET 11 - HG LEU 43 far 0 62 0 - 8.6-40.7 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 9.3-24.7 HB3 ARG 26 - HG3 PRO 14 far 0 99 0 - 9.5-25.7 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 4 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 HD2 PRO 14 - HG LEU 43 far 0 63 0 - 4.3-32.8 HA LEU 52 - HG LEU 43 far 0 45 0 - 10.0-11.2 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 7 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 poor 13 51 25 - 4.4-5.1 HD3 PRO 14 - HG LEU 43 far 3 63 5 - 4.2-32.5 HA ILE 40 - HG3 PRO 14 far 0 90 0 - 7.1-31.0 HA ILE 40 - HG2 PRO 14 far 0 90 0 - 7.2-29.8 HA ARG 69 - HG LEU 43 far 0 56 0 - 8.8-10.1 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 2.8-2.9 3.0=100 H GLN 79 - HA THR 15 far 0 96 0 - 7.3-50.7 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 - 6.6-22.8 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 1 assignment used, quality = 1.00: * QG2 THR 15 + HA THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 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 3 assignments used, quality = 1.00: * H THR 15 + HB THR 15 OK 100 100 100 100 2.7-3.9 4.0=100 H GLN 79 - HB THR 15 far 0 96 0 - 6.6-50.6 H ALA 77 - HB THR 15 far 0 78 0 - 7.6-43.8 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 5 assignments used, quality = 1.00: * HA THR 15 + HB THR 15 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 77 - HB THR 15 far 0 95 0 - 5.2-45.1 HA ALA 12 - HB THR 15 far 0 96 0 - 7.3-12.0 HA GLU 19 - HB THR 15 far 0 97 0 - 7.9-15.4 HA LYS 39 - HB THR 15 far 0 100 0 - 7.9-27.4 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 2 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 - 9.3-18.7 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 2.0-4.0 3.9=100 H GLN 79 - QG2 THR 15 far 0 96 0 - 7.3-41.3 H ALA 77 - QG2 THR 15 far 0 78 0 - 8.3-35.5 H ARG 27 - QG2 THR 15 far 0 68 0 - 8.6-21.4 H ALA 28 - QG2 THR 15 far 0 98 0 - 8.7-20.5 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 7 assignments used, quality = 1.00: * HA THR 15 + QG2 THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 HA LYS 39 - QG2 THR 15 far 0 100 0 - 4.8-22.1 HA ALA 12 - QG2 THR 15 far 0 96 0 - 5.8-10.2 HA ALA 77 - QG2 THR 15 far 0 95 0 - 6.1-36.7 HA GLU 19 - QG2 THR 15 far 0 97 0 - 7.5-13.4 HB THR 37 - QG2 THR 15 far 0 76 0 - 9.5-20.9 HA ALA 20 - QG2 THR 15 far 0 92 0 - 9.8-15.9 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 2 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 - 4.4-19.2 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 2.3-2.9 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 6 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 78 - HA ALA 16 far 3 63 5 - 2.8-37.2 QB ALA 20 - HA ALA 16 far 0 87 0 - 5.6-13.4 QB ALA 77 - HA ALA 16 far 0 90 0 - 6.6-34.3 QB ALA 28 - HA ALA 16 far 0 81 0 - 7.5-15.0 QB ALA 12 - HA ALA 16 far 0 65 0 - 9.0-12.0 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 10 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.9 2.9=100 H ARG 17 + QB ALA 16 OK 76 76 100 100 2.1-3.7 3.6=100 H ARG 17 - QB ALA 20 far 2 35 5 - 5.1-11.4 H ASP 24 - QB ALA 20 far 0 44 0 - 5.8-9.5 H ALA 16 - QB ALA 20 far 0 55 0 - 6.1-14.3 H ARG 17 - QB ALA 77 far 0 41 0 - 6.6-32.8 H ASP 24 - QB ALA 77 far 0 51 0 - 7.4-20.7 H ALA 16 - QB ALA 77 far 0 63 0 - 7.5-36.0 H ALA 16 - QB ALA 12 far 0 65 0 - 8.0-11.2 H VAL 65 - QB ALA 77 far 0 31 0 - 9.5-19.8 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 8 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 - 3.8-19.5 HA ALA 16 - QB ALA 20 far 0 55 0 - 5.6-13.4 HA ALA 16 - QB ALA 77 far 0 63 0 - 6.6-34.3 HA ALA 16 - QB ALA 12 far 0 65 0 - 9.0-12.0 HA PRO 34 - QB ALA 12 far 0 64 0 - 9.5-22.5 HA GLU 87 - QB ALA 77 far 0 61 0 - 9.6-26.8 HA PRO 34 - QB ALA 20 far 0 53 0 - 9.8-18.7 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 2.1-3.6 3.6=100 H ALA 16 - HA ARG 17 poor 18 76 45 52 4.6-5.6 ~22=30, 2.9/5486=29, 1162/3.0=3 H GLY 18 - HA GLU 19 poor 17 52 70 46 4.6-6.3 ~24=15, ~25=15, 4822=12...(6) H GLY 21 - HA GLU 19 far 11 76 15 - 4.4-7.0 H ARG 17 - HA GLU 19 far 0 80 0 - 6.1-8.9 H ALA 16 - HA GLU 19 far 0 54 0 - 7.1-12.6 H GLY 21 - HA ARG 17 far 0 98 0 - 9.1-13.4 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 6 assignments used, quality = 1.00: * HB2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 17 - HA GLU 19 far 0 80 0 - 5.8-8.6 HB2 LYS 39 - HA ARG 17 far 0 92 0 - 7.9-19.0 HB2 LYS 39 - HA GLU 19 far 0 68 0 - 8.2-21.2 HB2 ARG 23 - HA GLU 19 far 0 78 0 - 9.2-16.7 HB2 LYS 75 - HA GLU 19 far 0 80 0 - 9.5-31.5 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 10 assignments used, quality = 1.00: * HB3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 29 - HA ARG 17 far 10 65 15 - 3.8-20.6 HB3 LYS 32 - HA ARG 17 far 0 57 0 - 5.5-25.3 HB3 ARG 17 - HA GLU 19 far 0 80 0 - 5.5-8.8 HB2 LEU 29 - HA GLU 19 far 0 46 0 - 6.5-17.8 HB2 LYS 32 - HA ARG 17 far 0 57 0 - 6.9-25.5 HG3 ARG 26 - HA ARG 17 far 0 100 0 - 7.0-19.0 HB ILE 33 - HA ARG 17 far 0 71 0 - 7.4-21.1 HG3 ARG 26 - HA GLU 19 far 0 79 0 - 7.5-13.9 HB ILE 33 - HA GLU 19 far 0 50 0 - 8.5-16.8 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 2.2-4.2 4.0=76, 1167/3.0=25...(48) HG3 ARG 17 + HA ARG 17 OK 99 100 100 99 2.2-4.2 4.0=76, 1167/3.0=25...(48) HG2 ARG 26 - HA GLU 19 far 0 80 0 - 6.2-15.0 HG2 ARG 17 - HA GLU 19 far 0 80 0 - 6.8-9.3 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 6.9-9.8 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 6.9-24.8 HD2 LYS 32 - HA ARG 17 far 0 99 0 - 8.0-26.2 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 8.7-20.5 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: * HG3 ARG 17 + HA ARG 17 OK 99 100 100 99 2.2-4.2 4.0=76, 1167/3.0=25...(48) HG2 ARG 17 + HA ARG 17 OK 99 100 100 99 2.2-4.2 4.0=76, 1167/3.0=25...(48) HG2 ARG 26 - HA GLU 19 far 0 80 0 - 6.2-15.0 HG2 ARG 17 - HA GLU 19 far 0 80 0 - 6.8-9.3 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 6.9-9.8 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 6.9-24.8 HD2 LYS 32 - HA ARG 17 far 0 98 0 - 8.0-26.2 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 8.7-20.5 Violated in 0 structures by 0.00 A. Peak 1152 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: HD3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.2-4.9 5.0=64, 3.0/1151=36...(48) * HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-4.8 5.0=64, 3.0/1151=36...(48) HD3 ARG 17 - HA GLU 19 far 0 80 0 - 5.7-10.3 HD2 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-10.6 HD3 ARG 26 - HA GLU 19 far 0 68 0 - 6.5-15.6 HD2 ARG 26 - HA GLU 19 far 0 70 0 - 6.9-16.9 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 7.6-20.2 HD2 ARG 26 - HA ARG 17 far 0 93 0 - 7.8-21.7 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.2-4.9 5.0=64, 3.0/1151=36...(48) HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-4.8 5.0=64, 3.0/1151=36...(48) HD3 ARG 17 - HA GLU 19 far 0 80 0 - 5.7-10.3 HD2 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-10.6 HD3 ARG 26 - HA GLU 19 far 0 68 0 - 6.5-15.6 HD2 ARG 26 - HA GLU 19 far 0 70 0 - 6.9-16.9 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 7.6-20.2 HD2 ARG 26 - HA ARG 17 far 0 93 0 - 7.8-21.7 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 7 assignments used, quality = 1.00: * H ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.3-4.0 4.0=100 H GLY 18 + HB2 ARG 17 OK 73 73 100 100 2.1-4.5 4.3=100 H ALA 16 - HB2 ARG 17 poor 19 76 25 - 4.0-7.1 H GLY 21 - HB3 ARG 71 far 0 47 0 - 6.4-17.5 H GLY 21 - HB2 ARG 71 far 0 48 0 - 7.1-17.4 H VAL 65 - HB2 ARG 71 far 0 50 0 - 9.3-11.8 H GLY 21 - HB2 ARG 17 far 0 98 0 - 9.5-13.9 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 11 assignments used, quality = 1.00: * HA ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 19 - HB2 ARG 17 far 0 81 0 - 5.8-8.6 HA ASP 38 - HB2 ARG 71 far 0 52 0 - 6.4-11.1 HA ASP 38 - HB3 ARG 71 far 0 51 0 - 6.9-11.6 HA ASP 38 - HB2 ARG 17 far 0 100 0 - 7.1-22.1 HA ALA 20 - HB2 ARG 17 far 0 89 0 - 7.6-11.8 HA LEU 64 - HB2 ARG 71 far 0 39 0 - 7.7-10.4 HA LEU 64 - HB3 ARG 71 far 0 38 0 - 8.0-10.5 HA ALA 20 - HB3 ARG 71 far 0 40 0 - 8.2-19.1 HA ALA 20 - HB2 ARG 71 far 0 41 0 - 8.6-18.8 HA LYS 39 - HB2 ARG 17 far 0 63 0 - 9.6-23.0 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): 3 out of 11 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 44 49 100 90 2.2-3.0 2.8=63, 779/4.0=16...(23) HG3 ARG 71 + HB3 ARG 71 OK 43 48 100 90 2.2-3.0 2.8=63, 779/4.0=16...(23) HB ILE 33 - HB2 ARG 17 far 0 71 0 - 5.9-21.9 HB2 LEU 29 - HB2 ARG 17 far 0 65 0 - 6.1-20.8 HB3 LYS 32 - HB2 ARG 17 far 0 57 0 - 7.3-26.6 HG3 ARG 26 - HB3 ARG 71 far 0 50 0 - 7.8-16.0 HG3 ARG 26 - HB2 ARG 71 far 0 51 0 - 8.8-15.5 HB2 LYS 32 - HB2 ARG 17 far 0 57 0 - 8.9-26.8 HG3 ARG 26 - HB2 ARG 17 far 0 100 0 - 9.9-17.3 HG2 PRO 34 - HB2 ARG 17 far 0 90 0 - 9.9-27.9 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 19 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=22...(31) * HG2 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.4-3.0 2.9=83, 1181/1.8=22...(31) HG2 ARG 71 + HB2 ARG 71 OK 52 52 100 100 2.2-3.0 2.8=96, 2900/3.0=18...(37) HG2 ARG 71 + HB3 ARG 71 OK 50 51 100 100 2.4-3.0 2.8=96, 2900/3.0=18...(35) HG3 ARG 70 - HB3 ARG 71 poor 10 49 20 - 3.1-8.4 HG3 ARG 70 - HB2 ARG 71 far 0 50 0 - 3.9-7.4 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 43 0 - 7.2-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 49 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.8-11.4 HG2 ARG 27 - HB3 ARG 71 far 0 44 0 - 8.0-11.7 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 8.1-26.3 HD2 LYS 73 - HB2 ARG 71 far 0 49 0 - 8.4-11.5 HD2 LYS 32 - HB2 ARG 17 far 0 99 0 - 8.4-27.7 HG2 ARG 26 - HB3 ARG 71 far 0 50 0 - 8.5-15.6 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.7-11.7 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.1-11.8 HG2 ARG 26 - HB2 ARG 71 far 0 52 0 - 9.4-15.0 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 9.5-17.6 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 19 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=22...(31) HG2 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.4-3.0 2.9=83, 1181/1.8=22...(31) HG2 ARG 71 + HB2 ARG 71 OK 52 52 100 100 2.2-3.0 2.8=96, 2900/3.0=18...(37) HG2 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.4-3.0 2.8=96, 2900/3.0=18...(35) HG3 ARG 70 - HB3 ARG 71 poor 10 49 20 - 3.1-8.4 HG3 ARG 70 - HB2 ARG 71 far 0 50 0 - 3.9-7.4 HG3 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 44 0 - 7.2-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 48 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 46 0 - 7.8-11.4 HG2 ARG 27 - HB3 ARG 71 far 0 45 0 - 8.0-11.7 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 8.1-26.3 HD2 LYS 73 - HB2 ARG 71 far 0 48 0 - 8.4-11.5 HD2 LYS 32 - HB2 ARG 17 far 0 98 0 - 8.4-27.7 HG2 ARG 26 - HB3 ARG 71 far 0 51 0 - 8.5-15.6 HD3 LYS 73 - HB3 ARG 71 far 0 47 0 - 8.7-11.7 HD2 LYS 73 - HB3 ARG 71 far 0 47 0 - 9.1-11.8 HG2 ARG 26 - HB2 ARG 71 far 0 52 0 - 9.4-15.0 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.34 A): 4 out of 14 assignments used, quality = 1.00: HD3 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.2-4.2 3.6=81, 3.0/1158=20...(42) * HD2 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.1-3.8 3.6=81, 3.0/1158=20...(42) HD2 ARG 71 + HB2 ARG 71 OK 36 37 100 99 2.3-3.8 3.5=85, 2937/3.0=33...(32) HD2 ARG 71 + HB3 ARG 71 OK 35 36 100 99 2.0-3.8 3.5=85, 2937/3.0=33...(26) HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 5.9-13.5 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 6.8-12.8 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 7.1-14.0 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 9.3-13.5 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 1161 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.34 A): 4 out of 14 assignments used, quality = 1.00: * HD3 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.2-4.2 3.6=81, 3.0/1158=20...(42) HD2 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.1-3.8 3.6=81, 3.0/1158=20...(42) HD2 ARG 71 + HB2 ARG 71 OK 36 37 100 99 2.3-3.8 3.5=85, 2937/3.0=33...(32) HD2 ARG 71 + HB3 ARG 71 OK 35 36 100 99 2.0-3.8 3.5=85, 2937/3.0=33...(26) HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 5.9-13.5 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 6.8-12.8 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 7.1-14.0 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 9.3-13.5 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 9.5-19.2 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 2.4-3.9 4.0=100 H GLY 18 + HB3 ARG 17 OK 73 73 100 100 2.0-4.2 4.3=100 H ALA 16 - HB3 ARG 17 poor 12 76 40 41 4.1-7.6 ~5486=26, ~987=9...(4) H GLY 21 - HB3 ARG 17 far 0 98 0 - 10.0-14.3 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 LEU 86 - HB2 ARG 84 far 0 49 0 - 5.5-8.6 HA GLU 19 - HB3 ARG 17 far 0 81 0 - 5.5-8.8 HA ASP 38 - HB3 ARG 17 far 0 100 0 - 7.1-21.5 HA ALA 20 - HB3 ARG 17 far 0 89 0 - 8.1-12.2 HA ALA 12 - HB3 ARG 82 far 0 52 0 - 9.3-58.6 HA LYS 39 - HB3 ARG 17 far 0 63 0 - 9.5-22.4 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 4 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 - HB3 ARG 17 far 0 92 0 - 8.6-20.4 HB2 LYS 39 - HB2 ARG 54 far 0 41 0 - 9.2-12.1 HB ILE 89 - HB2 ARG 54 far 0 40 0 - 9.7-58.4 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 12 assignments used, quality = 1.00: * HG2 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.3-3.0 2.9=76, 1.8/1181=21...(36) HG3 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.3-3.0 2.9=76, 1.8/1181=21...(36) HG3 ARG 84 + HB2 ARG 84 OK 45 47 100 96 2.3-3.0 3.0=75, 3394/1.8=22...(29) HG2 ARG 84 + HB2 ARG 84 OK 45 47 100 96 2.4-3.0 3.0=75, 3402/1.8=22...(29) HG3 ARG 84 - HB3 ARG 82 far 0 43 0 - 4.4-9.6 HB3 LEU 51 - HB2 ARG 54 far 0 36 0 - 4.8-5.6 HB2 LEU 86 - HB2 ARG 84 far 0 76 0 - 5.0-9.1 HG LEU 86 - HB2 ARG 84 far 0 56 0 - 5.1-9.9 HG2 ARG 84 - HB3 ARG 82 far 0 43 0 - 5.2-9.8 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 7.6-26.1 HD2 LYS 32 - HB3 ARG 17 far 0 99 0 - 7.7-27.5 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 9.9-16.4 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 12 assignments used, quality = 1.00: HG2 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.3-3.0 2.9=76, 1.8/1181=21...(36) * HG3 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.3-3.0 2.9=76, 1.8/1181=21...(36) HG3 ARG 84 + HB2 ARG 84 OK 43 45 100 96 2.3-3.0 3.0=75, 3394/1.8=21...(29) HG2 ARG 84 + HB2 ARG 84 OK 43 45 100 96 2.4-3.0 3.0=75, 3402/1.8=21...(29) HG3 ARG 84 - HB3 ARG 82 far 0 41 0 - 4.4-9.6 HB3 LEU 51 - HB2 ARG 54 far 0 35 0 - 4.8-5.6 HB2 LEU 86 - HB2 ARG 84 far 0 75 0 - 5.0-9.1 HG LEU 86 - HB2 ARG 84 far 0 55 0 - 5.1-9.9 HG2 ARG 84 - HB3 ARG 82 far 0 41 0 - 5.2-9.8 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 7.6-26.1 HD2 LYS 32 - HB3 ARG 17 far 0 98 0 - 7.7-27.5 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 9.9-16.4 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 12 assignments used, quality = 1.00: * HD2 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.1-3.9 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.5-4.0 3.6=100 HD3 ARG 84 + HB2 ARG 84 OK 70 70 100 100 2.2-4.2 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 100 100 2.2-4.1 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.2-4.1 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 3 69 5 - 4.5-11.2 HD2 ARG 66 - HB2 ARG 84 far 2 39 5 - 4.4-34.2 HD3 ARG 66 - HB2 ARG 84 far 0 43 0 - 5.5-34.5 HD3 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.6-10.8 HD2 ARG 84 - HB3 ARG 82 far 0 63 0 - 6.5-10.1 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 9.4-19.2 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 9.5-20.0 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 12 assignments used, quality = 1.00: HD2 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.1-3.9 3.6=100 * HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.5-4.0 3.6=100 HD3 ARG 84 + HB2 ARG 84 OK 70 70 100 100 2.2-4.2 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 100 100 2.2-4.1 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.2-4.1 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 3 69 5 - 4.5-11.2 HD2 ARG 66 - HB2 ARG 84 far 2 39 5 - 4.4-34.2 HD3 ARG 66 - HB2 ARG 84 far 0 43 0 - 5.5-34.5 HD3 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.6-10.8 HD2 ARG 84 - HB3 ARG 82 far 0 63 0 - 6.5-10.1 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 9.4-19.2 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 9.5-20.0 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 23 assignments used, quality = 1.00: * HA ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.2-4.2 4.0=100 HA ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-4.2 4.0=100 HA LEU 86 + HG LEU 86 OK 50 50 100 100 2.4-4.3 4.3=94, 3519/2.1=64...(17) HA LEU 64 - HG2 ARG 27 poor 13 65 20 - 4.7-8.8 HA ALA 20 - HG2 ARG 26 poor 12 47 25 - 3.9-13.1 HA LEU 86 - HG3 ARG 84 far 2 36 5 - 4.8-9.2 HA LEU 64 - HG3 ARG 27 far 0 64 0 - 5.1-8.5 HA THR 88 - HG LEU 86 far 0 78 0 - 5.4-9.5 HA GLU 19 - HG2 ARG 26 far 0 41 0 - 6.2-15.0 HA LEU 86 - HG2 ARG 84 far 0 36 0 - 6.3-9.7 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 6.8-9.3 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 6.9-9.8 HA ASP 38 - HG2 ARG 17 far 0 100 0 - 7.0-20.5 HA LEU 64 - HG3 ARG 70 far 0 85 0 - 7.5-11.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 8.0-21.5 HA LYS 39 - HG2 ARG 17 far 0 63 0 - 8.2-22.7 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 8.7-20.5 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 9.1-13.1 HA SER 60 - HG3 ARG 27 far 0 80 0 - 9.1-13.8 HA LYS 39 - HG3 ARG 17 far 0 63 0 - 9.1-23.5 HA SER 60 - HG2 ARG 27 far 0 82 0 - 9.2-13.7 HA ALA 20 - HG2 ARG 27 far 0 67 0 - 9.5-17.7 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 9.8-12.8 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 31 assignments used, quality = 1.00: HB2 ARG 17 + HG3 ARG 17 OK 97 100 100 97 2.3-3.0 2.9=78, 1.8/1167=23...(26) * HB2 ARG 17 + HG2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=78, 1.8/1167=23...(26) HB2 ARG 27 + HG2 ARG 27 OK 71 73 100 98 2.4-3.0 2.9=82, 3.0/1418=14...(61) HB2 ARG 27 + HG3 ARG 27 OK 70 71 100 98 2.3-3.0 2.9=82, 3.0/1418=14...(61) HB3 ARG 27 + HG2 ARG 27 OK 70 71 100 97 2.2-3.0 2.9=82, 3.0/1418=14...(59) HB3 ARG 27 + HG3 ARG 27 OK 68 70 100 97 2.4-3.0 2.9=82, 3.0/1418=14...(59) HB3 ARG 71 - HG3 ARG 70 poor 18 92 20 - 3.1-8.4 HB2 ARG 23 - HG2 ARG 27 far 4 79 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 4 77 5 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 78 0 - 3.7-10.4 HB2 ARG 71 - HG3 ARG 70 far 0 93 0 - 3.9-7.4 HB3 ARG 23 - HG2 ARG 27 far 0 78 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.2-8.1 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.0-8.3 HB2 LYS 73 - HG3 ARG 70 far 0 87 0 - 5.0-8.6 HB2 ARG 27 - HG2 ARG 26 far 0 52 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 51 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 97 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 71 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 70 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 73 0 - 7.8-11.4 HB ILE 89 - HG LEU 86 far 0 65 0 - 8.0-14.1 HB3 ARG 71 - HG2 ARG 27 far 0 71 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 98 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.2-21.3 HB3 ARG 71 - HG2 ARG 26 far 0 51 0 - 8.5-15.6 HB2 LYS 39 - HG2 ARG 17 far 0 92 0 - 9.2-21.3 HB2 ARG 71 - HG2 ARG 26 far 0 52 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 93 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 1173 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 5 out of 39 assignments used, quality = 1.00: * HB3 ARG 17 + HG2 ARG 17 OK 89 100 100 89 2.3-3.0 2.9=54, 1167/1.8=18...(29) HB3 ARG 17 + HG3 ARG 17 OK 89 100 100 89 2.3-3.0 2.9=54, 1167/1.8=18...(29) HG3 ARG 26 + HG2 ARG 26 OK 58 58 100 100 1.8-1.8 1.8=100 HB2 ARG 84 + HG3 ARG 84 OK 40 46 100 86 2.3-3.0 3.0=54, 3379/1.8=15...(25) HB2 ARG 84 + HG2 ARG 84 OK 40 46 100 86 2.4-3.0 3.0=54, 3380/1.8=15...(25) HG3 ARG 71 - HG3 ARG 70 far 10 97 10 - 2.4-7.6 HG3 ARG 26 - HG2 ARG 27 far 4 81 5 - 3.0-9.0 HB3 LYS 83 - HG2 ARG 84 far 2 33 5 - 3.2-7.6 HB3 LYS 83 - HG3 ARG 84 far 2 33 5 - 3.3-7.6 HG3 ARG 26 - HG3 ARG 27 far 0 79 0 - 4.2-8.7 HB3 ARG 82 - HG3 ARG 84 far 0 39 0 - 4.4-9.6 HB3 LYS 85 - HG3 ARG 84 far 0 40 0 - 4.7-8.0 HB2 ARG 84 - HG LEU 86 far 0 64 0 - 5.1-9.9 HB3 ARG 82 - HG2 ARG 84 far 0 39 0 - 5.2-9.8 HB3 LYS 85 - HG2 ARG 84 far 0 40 0 - 5.4-7.6 HB3 LYS 85 - HG LEU 86 far 0 56 0 - 5.6-8.5 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 5.8-21.8 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 5.8-8.3 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 5.8-21.7 HG3 ARG 71 - HG3 ARG 27 far 0 77 0 - 6.1-11.2 HG3 ARG 71 - HG2 ARG 27 far 0 78 0 - 6.5-12.1 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 6.6-27.9 HB3 LYS 83 - HG LEU 86 far 0 46 0 - 7.3-13.7 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 7.3-23.4 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 7.5-23.7 HB2 LEU 62 - HG LEU 86 far 0 78 0 - 7.6-43.6 HB2 LEU 29 - HG3 ARG 27 far 0 46 0 - 7.7-10.2 HB2 LEU 29 - HG2 ARG 27 far 0 47 0 - 7.7-10.3 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 7.8-27.8 HB ILE 33 - HG3 ARG 27 far 0 50 0 - 7.8-10.8 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 7.9-18.4 HB ILE 33 - HG2 ARG 27 far 0 51 0 - 8.1-10.9 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.3-28.0 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 8.6-28.0 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 9.0-18.4 HB2 LYS 32 - HG3 ARG 27 far 0 39 0 - 9.5-12.8 HB2 LYS 32 - HG2 ARG 27 far 0 40 0 - 9.8-12.6 HG2 PRO 34 - HG2 ARG 17 far 0 90 0 - 9.8-29.8 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 9.9-29.3 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 49 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 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 5 52 10 - 3.1-10.4 HD2 ARG 71 - HG3 ARG 70 far 4 81 5 - 2.6-9.1 HD3 ARG 84 - HG LEU 86 far 4 72 5 - 2.2-12.3 HD2 ARG 26 - HG2 ARG 27 far 4 71 5 - 3.0-10.6 HD2 ARG 84 - HG LEU 86 far 3 70 5 - 3.8-11.9 HD2 ARG 82 - HG3 ARG 84 far 3 52 5 - 3.5-10.8 HD3 ARG 26 - HG2 ARG 27 far 0 70 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 70 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 69 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 28 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 28 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 31 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 31 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 40 0 - 8.0-41.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 8.2-19.7 HD3 ARG 66 - HG LEU 86 far 0 44 0 - 8.7-42.2 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 97 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 99 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 9.8-17.2 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 49 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 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 5 52 10 - 3.1-10.4 HD2 ARG 71 - HG3 ARG 70 far 4 81 5 - 2.6-9.1 HD3 ARG 84 - HG LEU 86 far 4 72 5 - 2.2-12.3 HD2 ARG 26 - HG2 ARG 27 far 4 71 5 - 3.0-10.6 HD2 ARG 84 - HG LEU 86 far 3 70 5 - 3.8-11.9 HD2 ARG 82 - HG3 ARG 84 far 3 52 5 - 3.5-10.8 HD3 ARG 26 - HG2 ARG 27 far 0 70 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 70 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 69 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 28 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 28 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 31 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 31 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 40 0 - 8.0-41.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 8.2-19.7 HD3 ARG 66 - HG LEU 86 far 0 44 0 - 8.7-42.2 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 97 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 99 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 9.8-17.2 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 23 assignments used, quality = 1.00: * HA ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-4.2 4.0=100 HA ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.2-4.2 4.0=100 HA LEU 86 + HG LEU 86 OK 49 49 100 100 2.4-4.3 4.3=94, 3519/2.1=64...(17) HA LEU 64 - HG2 ARG 27 poor 13 66 20 - 4.7-8.8 HA ALA 20 - HG2 ARG 26 poor 12 47 25 - 3.9-13.1 HA LEU 86 - HG3 ARG 84 far 2 34 5 - 4.8-9.2 HA LEU 64 - HG3 ARG 27 far 0 65 0 - 5.1-8.5 HA THR 88 - HG LEU 86 far 0 76 0 - 5.4-9.5 HA GLU 19 - HG2 ARG 26 far 0 41 0 - 6.2-15.0 HA LEU 86 - HG2 ARG 84 far 0 34 0 - 6.3-9.7 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 6.8-9.3 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 6.9-9.8 HA ASP 38 - HG2 ARG 17 far 0 100 0 - 7.0-20.5 HA LEU 64 - HG3 ARG 70 far 0 84 0 - 7.5-11.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 8.0-21.5 HA LYS 39 - HG2 ARG 17 far 0 63 0 - 8.2-22.7 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 8.7-20.5 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 9.1-13.1 HA SER 60 - HG3 ARG 27 far 0 82 0 - 9.1-13.8 HA LYS 39 - HG3 ARG 17 far 0 63 0 - 9.1-23.5 HA SER 60 - HG2 ARG 27 far 0 83 0 - 9.2-13.7 HA ALA 20 - HG2 ARG 27 far 0 68 0 - 9.5-17.7 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 9.8-12.8 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 31 assignments used, quality = 1.00: * HB2 ARG 17 + HG3 ARG 17 OK 97 100 100 97 2.3-3.0 2.9=78, 1.8/1167=23...(26) HB2 ARG 17 + HG2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=78, 1.8/1167=23...(26) HB2 ARG 27 + HG2 ARG 27 OK 72 74 100 98 2.4-3.0 2.9=82, 3.0/1418=14...(61) HB2 ARG 27 + HG3 ARG 27 OK 71 73 100 98 2.3-3.0 2.9=82, 3.0/1418=14...(61) HB3 ARG 27 + HG2 ARG 27 OK 71 73 100 97 2.2-3.0 2.9=82, 3.0/1418=14...(59) HB3 ARG 27 + HG3 ARG 27 OK 70 71 100 98 2.4-3.0 2.9=82, 3.0/1418=14...(60) HB3 ARG 71 - HG3 ARG 70 poor 18 91 20 - 3.1-8.4 HB2 ARG 23 - HG2 ARG 27 far 4 81 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 4 78 5 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 79 0 - 3.7-10.4 HB2 ARG 71 - HG3 ARG 70 far 0 92 0 - 3.9-7.4 HB3 ARG 23 - HG2 ARG 27 far 0 80 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.2-8.1 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.0-8.3 HB2 LYS 73 - HG3 ARG 70 far 0 86 0 - 5.0-8.6 HB2 ARG 27 - HG2 ARG 26 far 0 52 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 51 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 97 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 73 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 71 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 74 0 - 7.8-11.4 HB ILE 89 - HG LEU 86 far 0 63 0 - 8.0-14.1 HB3 ARG 71 - HG2 ARG 27 far 0 73 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 97 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.2-21.3 HB3 ARG 71 - HG2 ARG 26 far 0 51 0 - 8.5-15.6 HB2 LYS 39 - HG2 ARG 17 far 0 92 0 - 9.2-21.3 HB2 ARG 71 - HG2 ARG 26 far 0 52 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 92 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 1181 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 5 out of 39 assignments used, quality = 1.00: * HB3 ARG 17 + HG3 ARG 17 OK 89 100 100 89 2.3-3.0 2.9=54, 1167/1.8=18...(29) HB3 ARG 17 + HG2 ARG 17 OK 89 100 100 89 2.3-3.0 2.9=54, 1167/1.8=18...(29) HG3 ARG 26 + HG2 ARG 26 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 ARG 84 + HG3 ARG 84 OK 38 44 100 86 2.3-3.0 3.0=54, 3380/1.8=15...(25) HB2 ARG 84 + HG2 ARG 84 OK 38 44 100 86 2.4-3.0 3.0=54, 3380/1.8=15...(25) HG3 ARG 71 - HG3 ARG 70 far 10 97 10 - 2.4-7.6 HG3 ARG 26 - HG2 ARG 27 far 4 82 5 - 3.0-9.0 HB3 LYS 83 - HG2 ARG 84 far 2 31 5 - 3.2-7.6 HB3 LYS 83 - HG3 ARG 84 far 2 31 5 - 3.3-7.6 HG3 ARG 26 - HG3 ARG 27 far 0 81 0 - 4.2-8.7 HB3 ARG 82 - HG3 ARG 84 far 0 37 0 - 4.4-9.6 HB3 LYS 85 - HG3 ARG 84 far 0 39 0 - 4.7-8.0 HB2 ARG 84 - HG LEU 86 far 0 62 0 - 5.1-9.9 HB3 ARG 82 - HG2 ARG 84 far 0 37 0 - 5.2-9.8 HB3 LYS 85 - HG2 ARG 84 far 0 39 0 - 5.4-7.6 HB3 LYS 85 - HG LEU 86 far 0 55 0 - 5.6-8.5 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 5.8-21.8 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 5.8-8.3 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 5.8-21.7 HG3 ARG 71 - HG3 ARG 27 far 0 78 0 - 6.1-11.2 HG3 ARG 71 - HG2 ARG 27 far 0 80 0 - 6.5-12.1 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 6.6-27.9 HB3 LYS 83 - HG LEU 86 far 0 45 0 - 7.3-13.7 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 7.3-23.4 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 7.5-23.7 HB2 LEU 62 - HG LEU 86 far 0 76 0 - 7.6-43.6 HB2 LEU 29 - HG3 ARG 27 far 0 47 0 - 7.7-10.2 HB2 LEU 29 - HG2 ARG 27 far 0 48 0 - 7.7-10.3 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 7.8-27.8 HB ILE 33 - HG3 ARG 27 far 0 51 0 - 7.8-10.8 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 7.9-18.4 HB ILE 33 - HG2 ARG 27 far 0 52 0 - 8.1-10.9 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.3-28.0 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 8.6-28.0 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 9.0-18.4 HB2 LYS 32 - HG3 ARG 27 far 0 40 0 - 9.5-12.8 HB2 LYS 32 - HG2 ARG 27 far 0 41 0 - 9.8-12.6 HG2 PRO 34 - HG2 ARG 17 far 0 90 0 - 9.8-29.8 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 9.9-29.3 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 49 assignments used, quality = 1.00: * HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.3-3.0 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 2.3-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD2 ARG 82 - HG2 ARG 84 far 5 50 10 - 3.1-10.4 HD2 ARG 71 - HG3 ARG 70 far 4 80 5 - 2.6-9.1 HD2 ARG 26 - HG2 ARG 27 far 4 73 5 - 3.0-10.6 HD3 ARG 84 - HG LEU 86 far 4 70 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 3 68 5 - 3.8-11.9 HD2 ARG 82 - HG3 ARG 84 far 2 50 5 - 3.5-10.8 HD3 ARG 26 - HG2 ARG 27 far 0 71 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 71 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 70 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 27 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 27 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 30 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 30 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 39 0 - 8.0-41.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 8.2-19.7 HD3 ARG 66 - HG LEU 86 far 0 43 0 - 8.7-42.2 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 96 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 98 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 9.8-17.2 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 49 assignments used, quality = 1.00: HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.3-3.0 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 2.3-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD2 ARG 82 - HG2 ARG 84 far 5 50 10 - 3.1-10.4 HD2 ARG 71 - HG3 ARG 70 far 4 80 5 - 2.6-9.1 HD2 ARG 26 - HG2 ARG 27 far 4 73 5 - 3.0-10.6 HD3 ARG 84 - HG LEU 86 far 4 70 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 3 68 5 - 3.8-11.9 HD2 ARG 82 - HG3 ARG 84 far 2 50 5 - 3.5-10.8 HD3 ARG 26 - HG2 ARG 27 far 0 71 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 71 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 70 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 27 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 27 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 30 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 30 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 39 0 - 8.0-41.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 8.2-19.7 HD3 ARG 66 - HG LEU 86 far 0 43 0 - 8.7-42.2 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 96 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 98 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.59 A): 2 out of 32 assignments used, quality = 1.00: HA ARG 17 + HD3 ARG 17 OK 100 100 100 100 2.2-4.9 5.0=77, 1152/1.8=43...(48) * HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 2.0-4.8 5.0=77, 1152/1.8=43...(48) HA LEU 64 - HD3 ARG 27 far 12 83 15 - 3.6-9.4 HA ALA 20 - HD3 ARG 26 far 12 77 15 - 3.3-13.4 HA LEU 64 - HD2 ARG 27 poor 9 83 25 42 4.1-8.2 2618/5019=30, 3.9/5098=17 HA LEU 86 - HD3 ARG 84 far 7 67 10 - 5.2-10.9 HA ASP 38 - HD3 ARG 17 far 5 100 5 - 5.0-22.2 HA ALA 20 - HD2 ARG 26 far 4 78 5 - 4.8-14.7 HA LEU 64 - HD2 ARG 66 far 1 22 5 - 5.4-9.0 HA GLU 19 - HD3 ARG 17 far 0 81 0 - 5.7-10.3 HA LEU 64 - HD3 ARG 66 far 0 25 0 - 6.1-9.0 HA GLU 19 - HD2 ARG 17 far 0 81 0 - 6.2-10.6 HA ASP 38 - HD2 ARG 17 far 0 100 0 - 6.3-22.4 HA LEU 86 - HD2 ARG 84 far 0 65 0 - 6.5-9.9 HA GLU 19 - HD3 ARG 26 far 0 69 0 - 6.5-15.6 HA LYS 39 - HD3 ARG 17 far 0 63 0 - 6.9-24.4 HA GLU 19 - HD2 ARG 26 far 0 70 0 - 6.9-16.9 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 7.2-13.9 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-20.2 HA SER 60 - HD3 ARG 66 far 0 33 0 - 7.7-11.4 HA ARG 17 - HD2 ARG 26 far 0 93 0 - 7.8-21.7 HA LYS 39 - HD2 ARG 17 far 0 63 0 - 8.0-24.9 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 8.1-13.5 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.1-11.2 HA ASP 38 - HD2 ARG 71 far 0 83 0 - 8.2-13.8 HA SER 60 - HD2 ARG 66 far 0 30 0 - 8.3-11.4 HA ALA 20 - HD2 ARG 71 far 0 68 0 - 8.4-21.8 HA SER 60 - HD2 ARG 27 far 0 98 0 - 8.7-12.7 HA ALA 20 - HD2 ARG 23 far 0 87 0 - 8.7-14.9 HA SER 60 - HD3 ARG 27 far 0 98 0 - 9.1-13.3 HA LEU 86 - HD2 ARG 82 far 0 62 0 - 9.6-17.7 HA ALA 20 - HD3 ARG 23 far 0 87 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 2.88 A): 12 out of 47 assignments used, quality = 1.00: * HB2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.1-3.8 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 + HD2 ARG 23 OK 88 98 95 95 2.6-4.1 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 88 98 95 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 27 + HD2 ARG 27 OK 81 91 95 94 2.2-4.1 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD3 ARG 27 OK 80 89 95 94 2.1-4.1 3.5=54, 3.0/1421=8...(58) HB3 ARG 23 + HD2 ARG 23 OK 79 98 85 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 23 + HD3 ARG 23 OK 70 98 75 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 71 + HD2 ARG 71 OK 66 74 100 89 2.3-3.8 3.5=54, 3.0/2902=20...(29) HB3 ARG 71 + HD2 ARG 71 OK 64 72 100 89 2.0-3.8 3.5=54, 3.0/2902=20...(30) HB2 ARG 27 + HD3 ARG 27 OK 64 91 75 94 2.3-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 63 89 75 94 2.1-4.2 3.5=54, 4.1/5382=9...(58) HB2 ARG 17 + HD3 ARG 17 OK 52 100 55 95 2.2-4.2 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 - HD3 ARG 27 far 5 96 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 79 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 80 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 89 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 5.6-9.8 HB2 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 6.8-12.8 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 99 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.5-19.2 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 53 assignments used, quality = 1.00: * HB3 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.1-3.9 3.6=59, 1.8/1161=21...(35) HG3 ARG 26 + HD2 ARG 26 OK 92 92 100 100 2.2-3.0 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 92 100 95 96 2.5-4.0 3.6=59, 1.8/1160=21...(35) 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 2.4-3.0 3.0=100 HB2 ARG 84 + HD2 ARG 84 OK 73 80 95 96 2.2-4.1 3.5=63, 1.8/3418=31...(24) HB2 ARG 84 + HD3 ARG 84 OK 59 82 75 96 2.2-4.2 3.5=63, 1.8/3418=31...(24) HB3 ARG 82 + HD2 ARG 82 OK 42 67 75 84 2.2-4.1 3.6=56, 5479/3.0=39...(7) HB3 LYS 83 - HD2 ARG 84 far 6 60 10 - 2.1-9.3 HG3 ARG 26 - HD2 ARG 23 far 5 99 5 - 3.6-9.6 HB3 LYS 83 - HD3 ARG 84 far 3 62 5 - 2.4-9.1 HG3 ARG 26 - HD3 ARG 23 far 0 99 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 66 far 0 23 0 - 4.4-34.2 HB2 ARG 84 - HD2 ARG 82 far 0 77 0 - 4.5-11.2 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 4.8-8.3 HB3 LYS 83 - HD2 ARG 82 far 0 58 0 - 5.0-10.3 HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 5.1-14.6 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.1-8.2 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.4-8.6 HB3 LYS 85 - HD2 ARG 84 far 0 72 0 - 5.5-9.2 HB2 ARG 84 - HD3 ARG 66 far 0 25 0 - 5.5-34.5 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 5.5-23.8 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.6-22.9 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 5.6-10.8 HB3 LYS 85 - HD3 ARG 84 far 0 74 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.9-12.2 HB2 LEU 29 - HD2 ARG 26 far 0 56 0 - 6.0-8.7 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 6.4-28.8 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 6.5-10.1 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-14.4 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 7.7-10.9 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 7.9-28.9 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 8.0-12.7 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 8.2-11.9 HB2 LEU 62 - HD3 ARG 84 far 0 96 0 - 8.3-38.9 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 8.4-25.3 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 8.5-12.3 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 8.6-24.0 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 8.6-11.9 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 8.7-12.4 HB2 LEU 62 - HD2 ARG 84 far 0 94 0 - 8.8-38.7 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 9.2-16.1 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 9.3-30.0 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.5-20.0 HB2 LYS 32 - HD3 ARG 27 far 0 54 0 - 9.8-13.0 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 10.0-19.0 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 65 assignments used, quality = 1.00: HG2 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.4-3.0 3.0=86, 2.9/1161=14...(36) * HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 2.9/1161=14...(32) HG3 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 95 2.3-3.0 3.0=88, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 87 91 100 95 2.3-3.0 3.0=88, 529/6.1=9...(22) HG2 ARG 27 + HD2 ARG 27 OK 87 91 100 95 2.5-3.0 3.0=88, 5.0/5382=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 87 91 100 95 2.2-3.0 3.0=88, 3.8/1421=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 85 89 100 96 2.2-3.0 3.0=88, 5.0/5382=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 85 89 100 95 2.5-3.0 3.0=88, 3.8/1421=7...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.4-3.0 3.0=85, 3.8/2902=16...(20) HG2 ARG 84 + HD3 ARG 84 OK 63 65 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD3 ARG 84 OK 63 65 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD2 ARG 84 OK 61 62 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 + HD2 ARG 84 OK 61 62 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 - HD2 ARG 82 far 6 60 10 - 3.1-10.4 HG2 ARG 27 - HD2 ARG 26 far 4 85 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 4 81 5 - 2.6-9.1 HG LEU 86 - HD3 ARG 84 far 4 76 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 3 60 5 - 3.5-10.8 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 83 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 83 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 82 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 94 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 29 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 33 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 8.0-28.5 HG LEU 86 - HD2 ARG 66 far 0 21 0 - 8.0-41.9 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 8.6-14.1 HG LEU 86 - HD3 ARG 66 far 0 23 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 99 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 82 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.9-13.1 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 64 assignments used, quality = 1.00: HG3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.4-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.3-3.0 3.0=86, 2.9/1161=14...(36) * HG3 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 95 2.3-3.0 3.0=88, 529/6.1=9...(25) HG2 ARG 27 + HD2 ARG 27 OK 88 92 100 96 2.5-3.0 3.0=88, 5.0/5382=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 88 92 100 95 2.2-3.0 3.0=88, 3.8/1420=7...(49) HG2 ARG 26 + HD3 ARG 26 OK 87 92 100 95 2.3-3.0 3.0=88, 529/6.1=9...(22) HG3 ARG 27 + HD2 ARG 27 OK 87 91 100 96 2.2-3.0 3.0=88, 5.0/5382=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 87 91 100 95 2.5-3.0 3.0=88, 3.8/1420=7...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.4-3.0 3.0=85, 3.8/2902=16...(20) HG2 ARG 84 + HD3 ARG 84 OK 61 62 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD3 ARG 84 OK 61 62 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD2 ARG 84 OK 59 60 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 + HD2 ARG 84 OK 59 60 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 - HD2 ARG 82 far 6 58 10 - 3.1-10.4 HG2 ARG 27 - HD2 ARG 26 far 4 86 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 4 80 5 - 2.6-9.1 HG LEU 86 - HD3 ARG 84 far 4 74 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 3 58 5 - 3.5-10.8 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 84 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 85 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 95 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 95 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 93 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 29 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 32 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 8.6-14.1 HG LEU 86 - HD3 ARG 66 far 0 22 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HG3 ARG 70 - HD2 ARG 27 far 0 96 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 98 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 83 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.9-13.1 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; 4.59 A): 2 out of 32 assignments used, quality = 1.00: * HA ARG 17 + HD3 ARG 17 OK 100 100 100 100 2.2-4.9 5.0=77, 1152/1.8=43...(48) HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 2.0-4.8 5.0=77, 1152/1.8=43...(48) HA LEU 64 - HD3 ARG 27 far 12 83 15 - 3.6-9.4 HA ALA 20 - HD3 ARG 26 far 12 77 15 - 3.3-13.4 HA LEU 64 - HD2 ARG 27 poor 9 83 25 42 4.1-8.2 2618/5019=30, 3.9/5098=17 HA LEU 86 - HD3 ARG 84 far 7 67 10 - 5.2-10.9 HA ASP 38 - HD3 ARG 17 far 5 100 5 - 5.0-22.2 HA ALA 20 - HD2 ARG 26 far 4 78 5 - 4.8-14.7 HA LEU 64 - HD2 ARG 66 far 1 22 5 - 5.4-9.0 HA GLU 19 - HD3 ARG 17 far 0 81 0 - 5.7-10.3 HA LEU 64 - HD3 ARG 66 far 0 25 0 - 6.1-9.0 HA GLU 19 - HD2 ARG 17 far 0 81 0 - 6.2-10.6 HA ASP 38 - HD2 ARG 17 far 0 100 0 - 6.3-22.4 HA LEU 86 - HD2 ARG 84 far 0 65 0 - 6.5-9.9 HA GLU 19 - HD3 ARG 26 far 0 69 0 - 6.5-15.6 HA LYS 39 - HD3 ARG 17 far 0 63 0 - 6.9-24.4 HA GLU 19 - HD2 ARG 26 far 0 70 0 - 6.9-16.9 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 7.2-13.9 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-20.2 HA SER 60 - HD3 ARG 66 far 0 33 0 - 7.7-11.4 HA ARG 17 - HD2 ARG 26 far 0 93 0 - 7.8-21.7 HA LYS 39 - HD2 ARG 17 far 0 63 0 - 8.0-24.9 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 8.1-13.5 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.1-11.2 HA ASP 38 - HD2 ARG 71 far 0 83 0 - 8.2-13.8 HA SER 60 - HD2 ARG 66 far 0 30 0 - 8.3-11.4 HA ALA 20 - HD2 ARG 71 far 0 68 0 - 8.4-21.8 HA SER 60 - HD2 ARG 27 far 0 98 0 - 8.7-12.7 HA ALA 20 - HD2 ARG 23 far 0 87 0 - 8.7-14.9 HA SER 60 - HD3 ARG 27 far 0 98 0 - 9.1-13.3 HA LEU 86 - HD2 ARG 82 far 0 62 0 - 9.6-17.7 HA ALA 20 - HD3 ARG 23 far 0 87 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 2.88 A): 12 out of 47 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.1-3.8 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 + HD2 ARG 23 OK 88 98 95 95 2.6-4.1 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 88 98 95 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 27 + HD2 ARG 27 OK 81 91 95 94 2.2-4.1 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD3 ARG 27 OK 80 89 95 94 2.1-4.1 3.5=54, 3.0/1421=8...(58) HB3 ARG 23 + HD2 ARG 23 OK 79 98 85 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 23 + HD3 ARG 23 OK 70 98 75 95 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 71 + HD2 ARG 71 OK 66 74 100 89 2.3-3.8 3.5=54, 3.0/2902=20...(29) HB3 ARG 71 + HD2 ARG 71 OK 64 72 100 89 2.0-3.8 3.5=54, 3.0/2902=20...(30) HB2 ARG 27 + HD3 ARG 27 OK 64 91 75 94 2.3-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 63 89 75 94 2.1-4.2 3.5=54, 4.1/5382=9...(58) * HB2 ARG 17 + HD3 ARG 17 OK 52 100 55 95 2.2-4.2 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 - HD3 ARG 27 far 5 96 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 79 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 80 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 89 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 5.6-9.8 HB2 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 6.8-12.8 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 99 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.5-19.2 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 53 assignments used, quality = 1.00: HB3 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.1-3.9 3.6=59, 1.8/1161=21...(35) HG3 ARG 26 + HD2 ARG 26 OK 92 92 100 100 2.2-3.0 3.0=100 * HB3 ARG 17 + HD3 ARG 17 OK 92 100 95 96 2.5-4.0 3.6=59, 1.8/1160=21...(35) 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 2.4-3.0 3.0=100 HB2 ARG 84 + HD2 ARG 84 OK 73 80 95 96 2.2-4.1 3.5=63, 1.8/3418=31...(24) HB2 ARG 84 + HD3 ARG 84 OK 59 82 75 96 2.2-4.2 3.5=63, 1.8/3418=31...(24) HB3 ARG 82 + HD2 ARG 82 OK 42 67 75 84 2.2-4.1 3.6=56, 5479/3.0=39...(7) HB3 LYS 83 - HD2 ARG 84 far 6 60 10 - 2.1-9.3 HG3 ARG 26 - HD2 ARG 23 far 5 99 5 - 3.6-9.6 HB3 LYS 83 - HD3 ARG 84 far 3 62 5 - 2.4-9.1 HG3 ARG 26 - HD3 ARG 23 far 0 99 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 66 far 0 23 0 - 4.4-34.2 HB2 ARG 84 - HD2 ARG 82 far 0 77 0 - 4.5-11.2 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 4.8-8.3 HB3 LYS 83 - HD2 ARG 82 far 0 58 0 - 5.0-10.3 HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 5.1-14.6 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.1-8.2 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.4-8.6 HB3 LYS 85 - HD2 ARG 84 far 0 72 0 - 5.5-9.2 HB2 ARG 84 - HD3 ARG 66 far 0 25 0 - 5.5-34.5 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 5.5-23.8 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.6-22.9 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 5.6-10.8 HB3 LYS 85 - HD3 ARG 84 far 0 74 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.9-12.2 HB2 LEU 29 - HD2 ARG 26 far 0 56 0 - 6.0-8.7 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 6.4-28.8 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 6.5-10.1 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-14.4 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 7.7-10.9 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 7.9-28.9 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 8.0-12.7 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 8.2-11.9 HB2 LEU 62 - HD3 ARG 84 far 0 96 0 - 8.3-38.9 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 8.4-25.3 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 8.5-12.3 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 8.6-24.0 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 8.6-11.9 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 8.7-12.4 HB2 LEU 62 - HD2 ARG 84 far 0 94 0 - 8.8-38.7 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 9.2-16.1 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 9.3-30.0 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.5-20.0 HB2 LYS 32 - HD3 ARG 27 far 0 54 0 - 9.8-13.0 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 10.0-19.0 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 65 assignments used, quality = 1.00: * HG2 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.4-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 2.9/1161=14...(32) HG3 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 95 2.3-3.0 3.0=88, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 87 91 100 95 2.3-3.0 3.0=88, 529/6.1=9...(22) HG2 ARG 27 + HD2 ARG 27 OK 87 91 100 95 2.5-3.0 3.0=88, 5.0/5382=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 87 91 100 95 2.2-3.0 3.0=88, 3.8/1421=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 85 89 100 96 2.2-3.0 3.0=88, 5.0/5382=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 85 89 100 95 2.5-3.0 3.0=88, 3.8/1421=7...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.4-3.0 3.0=85, 3.8/2902=16...(20) HG2 ARG 84 + HD3 ARG 84 OK 63 65 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD3 ARG 84 OK 63 65 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD2 ARG 84 OK 61 62 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 + HD2 ARG 84 OK 61 62 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 - HD2 ARG 82 far 6 60 10 - 3.1-10.4 HG2 ARG 27 - HD2 ARG 26 far 4 85 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 4 81 5 - 2.6-9.1 HG LEU 86 - HD3 ARG 84 far 4 76 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 3 60 5 - 3.5-10.8 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 83 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 83 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 82 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 94 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 29 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 33 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 8.0-28.5 HG LEU 86 - HD2 ARG 66 far 0 21 0 - 8.0-41.9 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 8.6-14.1 HG LEU 86 - HD3 ARG 66 far 0 23 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 99 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 82 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.9-13.1 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 64 assignments used, quality = 1.00: * HG3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.4-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 95 2.3-3.0 3.0=88, 529/6.1=9...(25) HG2 ARG 27 + HD2 ARG 27 OK 88 92 100 96 2.5-3.0 3.0=88, 5.0/5382=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 88 92 100 95 2.2-3.0 3.0=88, 3.8/1420=7...(49) HG2 ARG 26 + HD3 ARG 26 OK 87 92 100 95 2.3-3.0 3.0=88, 529/6.1=9...(22) HG3 ARG 27 + HD2 ARG 27 OK 87 91 100 96 2.2-3.0 3.0=88, 5.0/5382=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 87 91 100 95 2.5-3.0 3.0=88, 3.8/1420=7...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.4-3.0 3.0=85, 3.8/2902=16...(20) HG2 ARG 84 + HD3 ARG 84 OK 61 62 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD3 ARG 84 OK 61 62 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG3 ARG 84 + HD2 ARG 84 OK 59 60 100 98 2.3-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 + HD2 ARG 84 OK 59 60 100 98 2.4-3.0 2.9=94, 3.0/3418=19...(20) HG2 ARG 84 - HD2 ARG 82 far 6 58 10 - 3.1-10.4 HG2 ARG 27 - HD2 ARG 26 far 4 86 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 4 80 5 - 2.6-9.1 HG LEU 86 - HD3 ARG 84 far 4 74 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 3 58 5 - 3.5-10.8 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 84 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 85 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 95 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 95 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 93 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 29 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 32 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 8.6-14.1 HG LEU 86 - HD3 ARG 66 far 0 22 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HG3 ARG 70 - HD2 ARG 27 far 0 96 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 98 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 83 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.9-13.1 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 8 80 10 - 3.4-7.0 H LYS 83 - HA LYS 85 far 0 49 0 - 6.3-9.2 H ASP 24 - HA GLU 19 far 0 93 0 - 8.8-14.4 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 HB2 GLU 19 - HA ARG 17 far 0 80 0 - 4.7-9.9 HB3 GLU 87 - HA LYS 85 far 0 54 0 - 4.8-9.7 HB3 PRO 14 - HA ARG 17 far 0 54 0 - 5.4-12.0 HB3 ARG 26 - HA ARG 17 far 0 41 0 - 7.7-21.4 HB VAL 41 - HA GLU 19 far 0 83 0 - 8.2-22.6 HB3 ARG 26 - HA GLU 19 far 0 60 0 - 8.4-16.5 HB3 GLU 87 - HA LYS 83 far 0 92 0 - 8.9-16.0 HB2 MET 31 - HA ARG 17 far 0 48 0 - 9.4-23.2 HB3 PRO 14 - HA GLU 19 far 0 76 0 - 9.8-18.5 HG12 ILE 40 - HA GLU 19 far 0 100 0 - 9.9-20.1 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 10 assignments used, quality = 1.00: * HB3 GLU 19 + HA GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 25 - HA GLU 19 far 0 90 0 - 5.2-10.8 HB2 GLU 87 - HA LYS 85 far 0 52 0 - 5.3-9.4 HB2 GLU 25 - HA GLU 19 far 0 92 0 - 5.4-10.9 HB3 GLU 19 - HA ARG 17 far 0 80 0 - 5.6-9.5 HB3 GLU 25 - HA ARG 17 far 0 67 0 - 7.2-15.1 HB2 GLU 25 - HA ARG 17 far 0 68 0 - 8.9-16.1 HG2 ARG 66 - HA LYS 83 far 0 52 0 - 9.3-32.2 HB2 GLU 87 - HA LYS 83 far 0 89 0 - 9.5-16.2 HB VAL 90 - HA LYS 85 far 0 38 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.67 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 19 + HA GLU 19 OK 99 100 100 99 2.2-3.7 3.9=85, 496/3.0=23...(22) HG3 GLU 19 + HA GLU 19 OK 99 100 100 99 2.2-4.2 3.9=85, 496/3.0=23...(22) HG3 GLU 19 - HA ARG 17 far 4 80 5 - 3.4-10.3 HG2 GLU 19 - HA ARG 17 far 4 80 5 - 4.0-10.5 HG3 GLU 87 - HA LYS 85 far 2 44 5 - 4.5-10.0 HG2 GLU 87 - HA LYS 85 far 2 43 5 - 2.9-10.1 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 5.2-12.3 HG2 GLU 87 - HA LYS 83 far 0 78 0 - 7.1-17.2 HG3 GLU 87 - HA LYS 83 far 0 80 0 - 7.5-16.3 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 9.7-16.1 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.67 A): 2 out of 10 assignments used, quality = 1.00: HG2 GLU 19 + HA GLU 19 OK 99 100 100 99 2.2-3.7 3.9=85, 496/3.0=23...(22) * HG3 GLU 19 + HA GLU 19 OK 99 100 100 99 2.2-4.2 3.9=85, 496/3.0=23...(22) HG3 GLU 19 - HA ARG 17 far 4 80 5 - 3.4-10.3 HG2 GLU 19 - HA ARG 17 far 4 80 5 - 4.0-10.5 HG3 GLU 87 - HA LYS 85 far 2 44 5 - 4.5-10.0 HG2 GLU 87 - HA LYS 85 far 2 43 5 - 2.9-10.1 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 5.2-12.3 HG2 GLU 87 - HA LYS 83 far 0 78 0 - 7.1-17.2 HG3 GLU 87 - HA LYS 83 far 0 80 0 - 7.5-16.3 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 9.7-16.1 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 4 assignments used, quality = 1.00: * H GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.2-3.9 3.9=100 H ASP 24 - HB3 ARG 26 far 0 50 0 - 6.5-7.9 H GLU 19 - HB3 ARG 26 far 0 59 0 - 7.9-17.6 H ASP 24 - HB2 GLU 19 far 0 93 0 - 8.5-14.7 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 17 assignments used, quality = 1.00: * HA GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 20 - HB2 GLU 19 far 15 100 15 - 4.1-5.9 HA THR 88 - HB3 GLU 87 poor 12 64 40 47 4.1-6.0 ~402=24, 3.0/4032=18...(4) HA ARG 17 - HB2 GLU 19 far 0 81 0 - 4.7-9.9 HA LYS 85 - HB3 GLU 87 far 0 52 0 - 4.8-9.7 HA ALA 20 - HB3 ARG 26 far 0 58 0 - 4.9-14.9 HA ASP 38 - HB2 GLU 19 far 0 78 0 - 5.0-17.5 HA THR 88 - HB2 GLN 91 far 0 35 0 - 5.6-11.8 HA SER 60 - HB3 GLU 87 far 0 68 0 - 6.9-46.9 HA ALA 77 - HB2 GLU 19 far 0 73 0 - 7.5-33.4 HA ARG 17 - HB3 ARG 26 far 0 41 0 - 7.7-21.4 HA GLU 19 - HB3 ARG 26 far 0 59 0 - 8.4-16.5 HA LYS 39 - HB2 GLU 19 far 0 99 0 - 8.9-20.9 HA LYS 83 - HB3 GLU 87 far 0 81 0 - 8.9-16.0 HA THR 15 - HB3 ARG 26 far 0 54 0 - 9.5-23.9 HA SER 60 - HB2 GLN 91 far 0 37 0 - 9.6-57.1 HA THR 15 - HB2 GLU 19 far 0 97 0 - 9.9-15.4 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 HB2 GLU 25 - HB2 GLU 19 far 0 92 0 - 3.7-10.5 HB2 GLU 25 - HB3 ARG 26 far 0 49 0 - 3.9-6.8 HB3 GLU 25 - HB2 GLU 19 far 0 90 0 - 4.4-10.3 HB VAL 90 - HB2 GLN 91 far 0 39 0 - 4.9-7.1 HB3 GLU 25 - HB3 ARG 26 far 0 48 0 - 5.0-7.3 HB3 GLN 91 - HB3 GLU 87 far 0 91 0 - 6.2-16.2 HB2 GLU 87 - HB2 GLN 91 far 0 52 0 - 6.6-16.4 HB VAL 90 - HB3 GLU 87 far 0 70 0 - 7.5-11.9 HB3 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.7-15.2 HG2 ARG 66 - HB3 GLU 87 far 0 52 0 - 8.0-41.0 HB3 PRO 56 - HB2 GLN 91 far 0 52 0 - 8.0-64.1 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 10 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 2.5-3.0 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 100 100 2.4-3.0 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.7-8.2 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 4.8-11.1 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 8.9-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.0-17.1 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 9.5-15.0 HG3 GLU 50 - HB3 GLU 87 far 0 62 0 - 9.7-51.0 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 10 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 2.5-3.0 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 100 100 2.4-3.0 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.7-8.2 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 4.8-11.1 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 8.9-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.0-17.1 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 9.5-15.0 HG3 GLU 50 - HB3 GLU 87 far 0 62 0 - 9.7-51.0 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 2.5-3.8 3.9=100 H ASP 24 - HB3 GLU 19 far 0 93 0 - 8.7-14.2 H LYS 83 - HB2 GLU 87 far 0 84 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (4.26, 2.04, 30.05 ppm; 3.94 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 19 + HB3 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 20 + HB3 GLU 19 OK 63 100 75 85 4.0-5.9 3.0/29=50, ~27=13...(14) HA THR 88 - HB2 GLU 87 poor 12 62 35 56 4.3-5.9 ~402=27, ~4032=17...(6) HA THR 88 - HB3 GLN 91 far 2 40 5 - 4.0-12.4 HA LYS 85 - HB2 GLU 87 far 0 50 0 - 5.3-9.4 HA ARG 17 - HB3 GLU 19 far 0 81 0 - 5.6-9.5 HA SER 60 - HB2 GLU 87 far 0 66 0 - 6.3-48.3 HA ASP 38 - HB3 GLU 19 far 0 78 0 - 6.3-18.8 HA ALA 77 - HB3 GLU 19 far 0 73 0 - 7.3-32.5 HA LYS 39 - HB3 GLU 19 far 0 99 0 - 7.7-22.3 HA SER 60 - HB3 GLN 91 far 0 43 0 - 8.4-57.9 HA LYS 83 - HB2 GLU 87 far 0 79 0 - 9.5-16.2 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 9 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 GLU 87 - HB3 GLN 91 far 0 62 0 - 6.2-16.2 HB2 GLN 91 - HB2 GLU 87 far 0 80 0 - 6.6-16.4 HB3 ARG 26 - HB3 GLU 19 far 0 60 0 - 7.7-15.2 HB VAL 41 - HB3 GLU 19 far 0 83 0 - 8.2-22.0 HG12 ILE 40 - HB3 GLU 19 far 0 100 0 - 8.9-20.2 HB2 MET 31 - HB3 GLU 19 far 0 68 0 - 9.1-20.2 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 7 assignments used, quality = 1.00: HG3 GLU 19 + HB3 GLU 19 OK 84 100 100 84 2.4-3.0 3.0=69, 1210/3.0=14...(13) * HG2 GLU 19 + HB3 GLU 19 OK 84 100 100 84 2.3-3.0 3.0=69, 1210/3.0=14...(13) HG3 GLU 87 + HB2 GLU 87 OK 62 77 100 80 2.3-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 60 76 100 79 2.3-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 25 - HB3 GLU 19 far 0 63 0 - 5.0-11.7 HG2 GLU 87 - HB3 GLN 91 far 0 51 0 - 8.2-17.6 HG3 GLU 87 - HB3 GLN 91 far 0 52 0 - 8.4-17.2 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 7 assignments used, quality = 1.00: * HG3 GLU 19 + HB3 GLU 19 OK 84 100 100 84 2.4-3.0 3.0=69, 1210/3.0=14...(13) HG2 GLU 19 + HB3 GLU 19 OK 84 100 100 84 2.3-3.0 3.0=69, 1210/3.0=14...(13) HG3 GLU 87 + HB2 GLU 87 OK 62 77 100 80 2.3-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 60 76 100 79 2.3-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 25 - HB3 GLU 19 far 0 63 0 - 5.0-11.7 HG2 GLU 87 - HB3 GLN 91 far 0 51 0 - 8.2-17.6 HG3 GLU 87 - HB3 GLN 91 far 0 52 0 - 8.4-17.2 Violated in 0 structures by 0.00 A. Peak 1224 from cnoeabs.peaks (8.32, 2.23, 36.01 ppm; 4.85 A): 3 out of 9 assignments used, quality = 1.00: * H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.1-4.9 4.9=96, 493/3.0=82...(9) H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.6-5.0 4.9=96, 493/3.0=82...(10) H ASP 24 + HG2 GLU 25 OK 26 53 90 56 4.0-6.1 50/5.0=47, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 0 62 0 - 6.0-11.3 H ASP 24 - HG2 GLU 19 far 0 93 0 - 8.6-16.3 H ASP 24 - HG3 GLU 19 far 0 93 0 - 8.7-16.2 H LYS 83 - HG2 GLU 87 far 0 85 0 - 8.9-17.3 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.0-18.2 H LYS 83 - HG3 GLU 50 far 0 68 0 - 9.9-39.2 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 3 out of 28 assignments used, quality = 1.00: HA GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.2 3.9=100 * HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-3.7 3.9=100 HA ALA 20 + HG2 GLU 19 OK 21 100 25 83 3.8-6.8 ~29=24, 2.1/5326=21...(12) HA ALA 20 - HG3 GLU 19 poor 20 100 20 - 4.0-7.0 HA THR 88 - HG3 GLU 87 poor 19 64 30 - 4.0-7.0 HA THR 88 - HG2 GLU 87 far 9 63 15 - 4.1-6.8 HA LYS 85 - HG3 GLU 87 far 5 52 10 - 4.5-10.0 HA ARG 17 - HG3 GLU 19 far 4 81 5 - 3.4-10.3 HA ARG 17 - HG2 GLU 19 far 4 81 5 - 4.0-10.5 HA ALA 20 - HG2 GLU 25 far 3 61 5 - 4.7-8.6 HA LYS 85 - HG2 GLU 87 far 3 51 5 - 2.9-10.1 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 5.2-12.3 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 5.7-11.5 HA ASP 38 - HG2 GLU 19 far 0 78 0 - 6.1-19.9 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 6.7-20.2 HA LYS 83 - HG2 GLU 87 far 0 80 0 - 7.1-17.2 HA LYS 83 - HG3 GLU 87 far 0 82 0 - 7.5-16.3 HA SER 60 - HG3 GLU 87 far 0 69 0 - 8.4-47.6 HA THR 15 - HG3 GLU 19 far 0 97 0 - 8.6-17.0 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 8.9-23.2 HA ALA 77 - HG2 GLU 19 far 0 73 0 - 9.0-32.9 HA SER 60 - HG2 GLU 87 far 0 67 0 - 9.1-46.9 HA ALA 77 - HG3 GLU 19 far 0 73 0 - 9.2-33.3 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 9.4-23.4 HA LYS 39 - HG2 GLU 25 far 0 60 0 - 9.4-15.7 HA ALA 77 - HG2 GLU 25 far 0 38 0 - 9.5-29.6 HA THR 15 - HG2 GLU 19 far 0 97 0 - 9.6-17.3 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 9.7-16.1 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 22 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 2.5-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 4.7-8.2 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.8-11.1 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 7.5-10.4 HB ILE 68 - HG2 GLU 25 far 0 54 0 - 7.9-12.0 HG12 ILE 40 - HG2 GLU 25 far 0 61 0 - 7.9-13.9 HB VAL 41 - HG2 GLU 25 far 0 45 0 - 8.5-14.2 HB VAL 41 - HG3 GLU 19 far 0 83 0 - 8.8-23.7 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 8.9-23.3 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 8.9-16.5 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.0-17.1 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.4-21.2 HB3 PRO 14 - HG2 GLU 19 far 0 76 0 - 9.5-20.0 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 9.5-15.0 HB3 GLU 87 - HG3 GLU 50 far 0 73 0 - 9.7-51.0 HB2 MET 11 - HG3 GLU 50 far 0 45 0 - 9.7-46.3 HB3 PRO 14 - HG3 GLU 19 far 0 76 0 - 9.8-19.6 HB2 MET 31 - HG2 GLU 25 far 0 35 0 - 9.8-13.2 HG12 ILE 40 - HG2 GLU 19 far 0 100 0 - 9.8-21.3 Violated in 0 structures by 0.00 A. Peak 1227 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 8 out of 24 assignments used, quality = 1.00: HB3 GLU 19 + HG3 GLU 19 OK 81 100 100 81 2.4-3.0 3.0=62, 1223/1.8=17...(11) * HB3 GLU 19 + HG2 GLU 19 OK 81 100 100 81 2.3-3.0 3.0=62, 1223/1.8=17...(11) HB2 GLU 87 + HG3 GLU 87 OK 67 89 100 75 2.3-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 87 + HG2 GLU 87 OK 66 88 100 75 2.3-3.0 3.0=64, 3566/1.8=16...(8) HB3 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.6-3.0 3.0=64, 1.8/2196=19...(6) HB2 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.3-2.5 3.0=64, 1.8/2196=19...(6) HB2 GLU 25 + HG2 GLU 25 OK 47 52 100 92 2.3-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 + HG2 GLU 25 OK 46 50 100 92 2.6-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 - HG3 GLU 19 far 0 90 0 - 4.9-11.3 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 5.0-11.7 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 90 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 90 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 92 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 92 0 - 8.6-52.8 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 8.9-10.6 HB2 GLU 50 - HG2 GLU 87 far 0 90 0 - 9.4-50.8 HG2 ARG 66 - HG2 GLU 87 far 0 51 0 - 9.8-41.4 HB2 GLU 50 - HG3 GLU 87 far 0 92 0 - 9.9-51.9 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): 3 out of 9 assignments used, quality = 1.00: H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.1-4.9 4.9=96, 493/3.0=82...(9) * H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.6-5.0 4.9=96, 493/3.0=82...(10) H ASP 24 + HG2 GLU 25 OK 26 53 90 56 4.0-6.1 50/5.0=47, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 0 62 0 - 6.0-11.3 H ASP 24 - HG2 GLU 19 far 0 93 0 - 8.6-16.3 H ASP 24 - HG3 GLU 19 far 0 93 0 - 8.7-16.2 H LYS 83 - HG2 GLU 87 far 0 85 0 - 8.9-17.3 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.0-18.2 H LYS 83 - HG3 GLU 50 far 0 68 0 - 9.9-39.2 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 3 out of 28 assignments used, quality = 1.00: * HA GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.2 3.9=100 HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-3.7 3.9=100 HA ALA 20 + HG2 GLU 19 OK 21 100 25 83 3.8-6.8 ~29=24, 2.1/5326=21...(12) HA ALA 20 - HG3 GLU 19 poor 20 100 20 - 4.0-7.0 HA THR 88 - HG3 GLU 87 poor 19 64 30 - 4.0-7.0 HA THR 88 - HG2 GLU 87 far 9 63 15 - 4.1-6.8 HA LYS 85 - HG3 GLU 87 far 5 52 10 - 4.5-10.0 HA ARG 17 - HG3 GLU 19 far 4 81 5 - 3.4-10.3 HA ARG 17 - HG2 GLU 19 far 4 81 5 - 4.0-10.5 HA ALA 20 - HG2 GLU 25 far 3 61 5 - 4.7-8.6 HA LYS 85 - HG2 GLU 87 far 3 51 5 - 2.9-10.1 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 5.2-12.3 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 5.7-11.5 HA ASP 38 - HG2 GLU 19 far 0 78 0 - 6.1-19.9 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 6.7-20.2 HA LYS 83 - HG2 GLU 87 far 0 80 0 - 7.1-17.2 HA LYS 83 - HG3 GLU 87 far 0 82 0 - 7.5-16.3 HA SER 60 - HG3 GLU 87 far 0 69 0 - 8.4-47.6 HA THR 15 - HG3 GLU 19 far 0 97 0 - 8.6-17.0 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 8.9-23.2 HA ALA 77 - HG2 GLU 19 far 0 73 0 - 9.0-32.9 HA SER 60 - HG2 GLU 87 far 0 67 0 - 9.1-46.9 HA ALA 77 - HG3 GLU 19 far 0 73 0 - 9.2-33.3 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 9.4-23.4 HA LYS 39 - HG2 GLU 25 far 0 60 0 - 9.4-15.7 HA ALA 77 - HG2 GLU 25 far 0 38 0 - 9.5-29.6 HA THR 15 - HG2 GLU 19 far 0 97 0 - 9.6-17.3 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 9.7-16.1 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 22 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 2.5-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 4.7-8.2 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.8-11.1 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 7.5-10.4 HB ILE 68 - HG2 GLU 25 far 0 54 0 - 7.9-12.0 HG12 ILE 40 - HG2 GLU 25 far 0 61 0 - 7.9-13.9 HB VAL 41 - HG2 GLU 25 far 0 45 0 - 8.5-14.2 HB VAL 41 - HG3 GLU 19 far 0 83 0 - 8.8-23.7 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 8.9-23.3 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 8.9-16.5 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.0-17.1 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.4-21.2 HB3 PRO 14 - HG2 GLU 19 far 0 76 0 - 9.5-20.0 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 9.5-15.0 HB3 GLU 87 - HG3 GLU 50 far 0 73 0 - 9.7-51.0 HB2 MET 11 - HG3 GLU 50 far 0 45 0 - 9.7-46.3 HB3 PRO 14 - HG3 GLU 19 far 0 76 0 - 9.8-19.6 HB2 MET 31 - HG2 GLU 25 far 0 35 0 - 9.8-13.2 HG12 ILE 40 - HG2 GLU 19 far 0 100 0 - 9.8-21.3 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 8 out of 24 assignments used, quality = 1.00: * HB3 GLU 19 + HG3 GLU 19 OK 81 100 100 81 2.4-3.0 3.0=62, 1223/1.8=17...(11) HB3 GLU 19 + HG2 GLU 19 OK 81 100 100 81 2.3-3.0 3.0=62, 1223/1.8=17...(11) HB2 GLU 87 + HG3 GLU 87 OK 67 89 100 75 2.3-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 87 + HG2 GLU 87 OK 66 88 100 75 2.3-3.0 3.0=64, 3566/1.8=16...(8) HB3 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.6-3.0 3.0=64, 1.8/2196=19...(6) HB2 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.3-2.5 3.0=64, 1.8/2196=19...(6) HB2 GLU 25 + HG2 GLU 25 OK 47 52 100 92 2.3-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 + HG2 GLU 25 OK 46 50 100 92 2.6-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 - HG3 GLU 19 far 0 90 0 - 4.9-11.3 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 5.0-11.7 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 90 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 90 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 92 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 92 0 - 8.6-52.8 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 8.9-10.6 HB2 GLU 50 - HG2 GLU 87 far 0 90 0 - 9.4-50.8 HG2 ARG 66 - HG2 GLU 87 far 0 51 0 - 9.8-41.4 HB2 GLU 50 - HG3 GLU 87 far 0 92 0 - 9.9-51.9 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 3 assignments used, quality = 1.00: * H ALA 20 + HA ALA 20 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 20 - HA ALA 77 far 2 49 5 - 4.9-32.0 H ILE 68 - HA ALA 77 far 0 40 0 - 9.5-20.5 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 16 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 QB ALA 20 - HA ALA 77 far 2 49 5 - 3.5-27.3 QB ALA 78 - HA ALA 77 far 2 45 5 - 3.7-4.9 QB ALA 77 - HA ALA 20 far 0 100 0 - 4.2-26.2 HG2 LYS 75 - HA ALA 77 far 0 43 0 - 4.6-10.4 HG3 LYS 73 - HA ALA 77 far 0 45 0 - 4.7-15.7 HG3 LYS 75 - HA ALA 20 far 0 96 0 - 5.6-29.0 QB ALA 16 - HA ALA 20 far 0 87 0 - 5.7-12.2 HG3 LYS 75 - HA ALA 77 far 0 43 0 - 5.7-10.1 HG3 ARG 69 - HA ALA 77 far 0 49 0 - 7.0-17.4 HG2 LYS 75 - HA ALA 20 far 0 96 0 - 7.2-29.3 QB ALA 78 - HA ALA 20 far 0 97 0 - 7.6-29.3 QB ALA 16 - HA ALA 77 far 0 37 0 - 7.9-35.5 HB3 ARG 69 - HA ALA 77 far 0 38 0 - 8.4-18.7 HG3 LYS 39 - HA ALA 20 far 0 65 0 - 8.9-21.5 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 7 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 77 far 5 100 5 - 2.5-26.5 H ALA 20 - QB ALA 16 far 3 55 5 - 4.6-11.1 H ALA 20 - QB ALA 78 far 0 96 0 - 5.2-29.1 H ILE 68 - QB ALA 77 far 0 91 0 - 6.9-17.0 H ILE 68 - QB ALA 78 far 0 85 0 - 8.6-20.4 H ILE 68 - QB ALA 20 far 0 92 0 - 9.9-16.5 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 34 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 ALA 77 - QB ALA 20 far 0 63 0 - 3.5-27.3 HA LYS 75 - QB ALA 77 far 0 88 0 - 3.6-7.0 HA ARG 17 - QB ALA 16 far 0 43 0 - 3.7-4.3 HA ALA 77 - QB ALA 78 far 0 56 0 - 3.7-4.9 HA GLU 19 - QB ALA 20 far 0 100 0 - 3.7-5.0 HA THR 15 - QB ALA 16 far 0 45 0 - 3.7-5.0 HA ALA 20 - QB ALA 77 far 0 100 0 - 4.2-26.2 HA ASP 38 - QB ALA 20 far 0 87 0 - 4.3-15.2 HA GLU 19 - QB ALA 77 far 0 100 0 - 4.5-27.9 HA GLU 19 - QB ALA 16 far 0 54 0 - 4.7-9.2 HA LYS 75 - QB ALA 20 far 0 89 0 - 5.0-24.0 HA ARG 17 - QB ALA 20 far 0 89 0 - 5.1-10.3 HA ARG 17 - QB ALA 78 far 0 81 0 - 5.3-35.4 HA GLU 19 - QB ALA 78 far 0 95 0 - 5.6-30.4 HA THR 15 - QB ALA 78 far 0 85 0 - 5.7-40.3 HA ALA 20 - QB ALA 16 far 0 55 0 - 5.7-12.2 HA LYS 75 - QB ALA 78 far 0 81 0 - 6.4-10.3 HA ARG 17 - QB ALA 77 far 0 88 0 - 6.6-32.9 HA LYS 83 - QB ALA 78 far 0 79 0 - 6.7-14.0 HA ASP 38 - QB ALA 77 far 0 86 0 - 6.7-20.0 HA LYS 39 - QB ALA 16 far 0 50 0 - 6.8-19.2 HA ASP 38 - QB ALA 78 far 0 79 0 - 7.3-21.6 HA ALA 20 - QB ALA 78 far 0 96 0 - 7.6-29.3 HA THR 15 - QB ALA 20 far 0 92 0 - 7.7-16.3 HA LYS 39 - QB ALA 20 far 0 97 0 - 7.7-18.6 HA ALA 77 - QB ALA 16 far 0 28 0 - 7.9-35.5 HA LEU 64 - QB ALA 77 far 0 100 0 - 8.1-19.7 HA THR 15 - QB ALA 77 far 0 91 0 - 8.1-37.7 HA ASP 38 - QB ALA 16 far 0 42 0 - 8.3-18.8 HA LYS 83 - QB ALA 77 far 0 86 0 - 8.4-17.5 HA ALA 12 - QB ALA 16 far 0 54 0 - 9.4-12.1 HA LEU 64 - QB ALA 78 far 0 96 0 - 9.8-23.2 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 10 assignments used, quality = 1.00: * H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.6-3.0 2.9=100 H GLY 18 + HA3 GLY 18 OK 56 56 100 100 2.4-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 54 54 100 100 2.3-3.0 3.0=100 H ARG 17 - HA2 GLY 18 far 3 61 5 - 4.5-6.1 H ARG 17 - HA3 GLY 18 far 0 63 0 - 4.6-5.7 H GLY 21 - HA3 GLY 18 far 0 67 0 - 7.0-10.0 H GLY 18 - HA2 GLY 21 far 0 92 0 - 7.0-12.6 H GLY 21 - HA2 GLY 18 far 0 65 0 - 7.0-10.3 H GLY 18 - HA3 GLY 21 far 0 92 0 - 8.3-12.0 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 10 assignments used, quality = 1.00: H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 * H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.6-3.0 2.9=100 H GLY 18 + HA3 GLY 18 OK 58 58 100 100 2.4-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 56 56 100 100 2.3-3.0 3.0=100 H ARG 17 - HA2 GLY 18 far 3 63 5 - 4.5-6.1 H ARG 17 - HA3 GLY 18 far 0 65 0 - 4.6-5.7 H GLY 21 - HA3 GLY 18 far 0 70 0 - 7.0-10.0 H GLY 18 - HA2 GLY 21 far 0 92 0 - 7.0-12.6 H GLY 21 - HA2 GLY 18 far 0 67 0 - 7.0-10.3 H GLY 18 - HA3 GLY 21 far 0 92 0 - 8.3-12.0 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): 2 out of 7 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 OK 87 97 95 94 3.1-5.3 5085/3.0=51, 4.0/4153=46...(7) H GLN 79 - HA TYR 81 far 5 94 5 - 5.1-8.5 H ARG 84 - HA TYR 81 far 0 88 0 - 5.5-9.6 H ALA 77 - HA TYR 81 far 0 84 0 - 6.6-13.8 H ALA 28 - HA SER 22 far 0 100 0 - 7.6-10.3 H ALA 77 - HA SER 22 far 0 92 0 - 9.9-25.9 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 2.5-3.0 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 2 assignments used, quality = 1.00: * HB3 SER 22 + HA SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 PRO 36 - HA TYR 81 far 0 70 0 - 7.5-38.1 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 2.4-3.9 3.9=100 H GLU 25 + HB2 SER 22 OK 95 97 100 98 2.4-5.2 5085=77, 5084/1.8=56...(6) H ALA 28 - HB2 SER 22 far 0 100 0 - 7.2-9.6 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 2.5-3.0 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 2.1-3.8 3.9=100 H GLU 25 + HB3 SER 22 OK 86 97 90 98 2.4-5.7 5085/1.8=70, 5084=53...(7) H ALA 28 - HB3 SER 22 far 0 100 0 - 7.3-10.2 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 2.3-3.0 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 2 assignments used, quality = 1.00: * HB2 SER 22 + HB3 SER 22 OK 100 100 100 100 1.8-1.8 1.8=100 HA ARG 70 - HB3 SER 22 far 0 98 0 - 9.6-17.7 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 - 8.2-10.1 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 10 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(9) HB3 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(9) HB2 ARG 27 + HA ARG 27 OK 71 73 100 99 2.7-3.0 3.0=92, 535/3.0=17...(30) HB3 ARG 27 + HA ARG 27 OK 71 72 100 99 2.4-3.0 3.0=92, 535/3.0=17...(31) HB2 ARG 27 - HA ARG 23 far 0 99 0 - 4.9-7.9 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 5.7-9.8 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 6.1-12.6 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.3-9.6 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 6.4-9.0 HB2 ARG 71 - HA ARG 23 far 0 99 0 - 7.2-12.9 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 10 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(9) HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(9) HB2 ARG 27 + HA ARG 27 OK 72 73 100 99 2.7-3.0 3.0=92, 535/3.0=17...(30) HB3 ARG 27 + HA ARG 27 OK 71 73 100 99 2.4-3.0 3.0=92, 535/3.0=17...(31) HB2 ARG 27 - HA ARG 23 far 0 100 0 - 4.9-7.9 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 5.7-9.8 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 6.1-12.6 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.3-9.6 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 6.4-9.0 HB2 ARG 71 - HA ARG 23 far 0 100 0 - 7.2-12.9 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 6 assignments used, quality = 0.98: * HG2 ARG 23 + HA ARG 23 OK 98 100 100 98 2.1-3.7 1285=90, 1286/3.0=36...(25) HG LEU 29 - HA ARG 27 poor 18 74 25 - 3.9-5.0 HB3 LEU 64 - HA ARG 27 far 2 41 5 - 4.5-7.4 HG2 ARG 23 - HA ARG 27 far 0 74 0 - 6.3-10.7 HG LEU 29 - HA ARG 23 far 0 100 0 - 7.4-9.7 HB3 GLN 61 - HA ARG 27 far 0 68 0 - 8.0-10.8 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 2.2-3.9 3.8=100 HG LEU 64 - HA ARG 27 far 0 74 0 - 6.2-7.7 HG3 ARG 23 - HA ARG 27 far 0 74 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 3.98 A): 5 out of 14 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 94 100 95 98 2.5-5.5 2.9/1264=65, 5.2=45...(33) HD3 ARG 23 + HA ARG 23 OK 84 100 85 98 2.4-5.5 2.9/1264=65, 5.2=45...(33) HD2 ARG 27 + HA ARG 27 OK 73 74 100 99 2.1-4.8 5.4=41, 3.0/1447=29...(57) HD3 ARG 27 + HA ARG 27 OK 73 74 100 99 2.0-4.7 5.4=41, 3.0/1447=29...(57) HD2 ARG 26 + HA ARG 23 OK 29 98 65 45 3.6-6.2 6.1/5345=25, 3.5/5344=11...(5) HD3 ARG 26 - HA ARG 23 poor 11 97 25 45 3.5-6.5 6.1/5345=25, 3.5/5344=11...(5) HD2 ARG 26 - HA ARG 27 far 4 70 5 - 3.7-8.0 HD3 ARG 26 - HA ARG 27 far 3 69 5 - 4.2-8.0 HD3 ARG 27 - HA ARG 23 far 0 100 0 - 5.1-9.4 HD2 ARG 27 - HA ARG 23 far 0 100 0 - 5.4-9.5 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 6.5-11.8 HD2 ARG 23 - HA ARG 27 far 0 74 0 - 7.4-11.3 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 7.5-14.7 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 3.98 A): 5 out of 14 assignments used, quality = 1.00: HD2 ARG 23 + HA ARG 23 OK 94 100 95 98 2.5-5.5 2.9/1264=65, 5.2=45...(33) * HD3 ARG 23 + HA ARG 23 OK 84 100 85 98 2.4-5.5 2.9/1264=65, 5.2=45...(33) HD2 ARG 27 + HA ARG 27 OK 73 74 100 99 2.1-4.8 5.4=41, 3.0/1447=29...(57) HD3 ARG 27 + HA ARG 27 OK 73 74 100 99 2.0-4.7 5.4=41, 3.0/1447=29...(57) HD2 ARG 26 + HA ARG 23 OK 29 98 65 45 3.6-6.2 6.1/5345=25, 3.5/5344=11...(5) HD3 ARG 26 - HA ARG 23 poor 11 97 25 45 3.5-6.5 6.1/5345=25, 3.5/5344=11...(5) HD2 ARG 26 - HA ARG 27 far 4 70 5 - 3.7-8.0 HD3 ARG 26 - HA ARG 27 far 3 69 5 - 4.2-8.0 HD3 ARG 27 - HA ARG 23 far 0 100 0 - 5.1-9.4 HD2 ARG 27 - HA ARG 23 far 0 100 0 - 5.4-9.5 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 6.5-11.8 HD2 ARG 23 - HA ARG 27 far 0 74 0 - 7.4-11.3 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 7.5-14.7 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 9.1-14.9 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 2.1-3.6 4.0=100 H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.4-3.6 4.0=100 H ARG 23 - HB3 ARG 71 far 8 78 10 - 4.7-11.7 H ARG 23 - HB2 ARG 71 far 0 79 0 - 6.0-12.0 H ARG 23 - HB2 ARG 27 far 0 83 0 - 6.2-8.9 H ARG 23 - HB3 ARG 27 far 0 82 0 - 7.7-10.2 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 2.4-3.0 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 2.7-3.0 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 100 100 2.4-3.0 3.0=100 HA ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-7.9 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 5.7-9.8 HA ARG 23 - HB3 ARG 71 far 0 78 0 - 6.1-12.6 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.3-9.6 HA ARG 23 - HB3 ARG 27 far 0 82 0 - 6.4-9.0 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.1-8.3 HA ARG 23 - HB2 ARG 71 far 0 79 0 - 7.2-12.9 HA ASN 49 - HB2 ARG 66 far 0 53 0 - 7.7-10.4 HA ALA 30 - HB2 ARG 27 far 0 78 0 - 7.9-8.4 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 98 100 100 98 2.5-3.0 3.0=88, 1287/1.8=33...(42) HG2 ARG 23 + HB3 ARG 23 OK 98 100 100 98 2.2-3.0 3.0=88, 1286/1.8=33...(42) HG3 ARG 66 + HB2 ARG 66 OK 35 35 100 100 2.3-3.0 2.8=100 HB3 LEU 64 - HB3 ARG 27 far 5 47 10 - 2.5-5.2 HB3 LEU 64 - HB2 ARG 27 far 0 47 0 - 3.9-6.6 HG2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.1 HG2 ARG 23 - HB3 ARG 71 far 0 78 0 - 5.7-12.4 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 5.9-6.6 HG2 ARG 23 - HB3 ARG 27 far 0 82 0 - 6.1-11.0 HG LEU 29 - HB3 ARG 27 far 0 81 0 - 6.2-6.7 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 6.7-13.1 HD2 LYS 75 - HB3 ARG 71 far 0 76 0 - 7.0-15.7 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 7.1-9.6 HD3 LYS 75 - HB3 ARG 71 far 0 76 0 - 7.4-16.0 HB3 GLN 61 - HB2 ARG 27 far 0 76 0 - 8.2-11.2 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 8.3-15.4 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 8.5-11.5 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 8.7-15.7 HB3 LEU 64 - HB2 ARG 66 far 0 32 0 - 8.8-9.2 HB3 LEU 64 - HB2 ARG 23 far 0 65 0 - 9.0-13.7 HB3 LEU 64 - HB2 ARG 71 far 0 44 0 - 9.1-11.3 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 9.1-11.1 HG3 ARG 66 - HB3 ARG 71 far 0 48 0 - 9.6-13.4 HB3 LEU 64 - HB3 ARG 71 far 0 44 0 - 9.7-12.1 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 9.8-26.0 HG3 ARG 66 - HB2 ARG 71 far 0 48 0 - 9.8-12.6 HB3 LEU 64 - HB3 ARG 23 far 0 65 0 - 10.0-14.3 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 15 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 17 82 25 84 3.8-5.6 2.1/5028=34, 2.1/5022=31...(11) HG3 ARG 23 - HB2 ARG 27 far 4 83 5 - 4.2-9.8 HG LEU 64 - HB2 ARG 27 far 0 83 0 - 4.6-7.1 HG3 ARG 23 - HB3 ARG 71 far 0 78 0 - 5.6-13.1 HG3 ARG 23 - HB3 ARG 27 far 0 82 0 - 5.7-11.2 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 6.4-13.7 HG LEU 62 - HB2 ARG 66 far 0 35 0 - 6.5-8.1 HG LEU 64 - HB2 ARG 71 far 0 78 0 - 7.6-12.1 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 8.2-11.3 HG LEU 64 - HB2 ARG 66 far 0 60 0 - 8.3-8.8 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.1-14.2 HB3 LEU 86 - HB2 ARG 66 far 0 40 0 - 9.3-38.4 HG LEU 64 - HB2 ARG 23 far 0 100 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 1274 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 12 out of 44 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) * HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.6-4.1 3.5=76, 2.9/1286=29...(35) HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1286=29...(35) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.1 3.5=76, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 76 81 95 99 2.1-4.1 3.5=76, 5382/4.1=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 73 82 90 99 2.3-4.2 3.5=76, 5382/4.1=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 72 81 90 99 2.1-4.2 3.5=76, 5382/4.1=13...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 48 100 97 2.3-3.8 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 46 48 100 97 2.0-3.8 3.5=76, 2937/3.0=26...(26) HD3 ARG 66 + HB2 ARG 66 OK 39 40 100 97 2.0-3.6 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 36 37 100 97 2.0-3.7 3.4=82, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 23 far 5 100 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 5 100 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 5 98 5 - 3.9-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 4.5-12.4 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.0-9.1 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 46 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 77 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 49 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 9.3-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 12 out of 44 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.6-4.1 3.5=76, 2.9/1286=29...(35) * HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1286=29...(35) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.1 3.5=76, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 76 81 95 99 2.1-4.1 3.5=76, 5382/4.1=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 73 82 90 99 2.3-4.2 3.5=76, 5382/4.1=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 72 81 90 99 2.1-4.2 3.5=76, 5382/4.1=13...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 48 100 97 2.3-3.8 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 46 48 100 97 2.0-3.8 3.5=76, 2937/3.0=26...(26) HD3 ARG 66 + HB2 ARG 66 OK 39 40 100 97 2.0-3.6 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 36 37 100 97 2.0-3.7 3.4=82, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 23 far 5 100 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 5 100 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 5 98 5 - 3.9-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 4.5-12.4 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.0-9.1 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 46 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 77 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 49 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 9.3-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 10.0-12.5 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 2.1-3.6 4.0=100 * H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.4-3.6 4.0=100 H ARG 23 - HB3 ARG 71 far 8 79 10 - 4.7-11.7 H ARG 23 - HB2 ARG 71 far 0 79 0 - 6.0-12.0 H ARG 23 - HB2 ARG 27 far 0 83 0 - 6.2-8.9 H ARG 23 - HB3 ARG 27 far 0 83 0 - 7.7-10.2 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 2.4-3.0 3.0=100 HA ARG 27 + HB2 ARG 27 OK 77 77 100 100 2.7-3.0 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 100 100 2.4-3.0 3.0=100 HA ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-7.9 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 5.7-9.8 HA ARG 23 - HB3 ARG 71 far 0 79 0 - 6.1-12.6 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.3-9.6 HA ARG 23 - HB3 ARG 27 far 0 83 0 - 6.4-9.0 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.1-8.3 HA ARG 23 - HB2 ARG 71 far 0 79 0 - 7.2-12.9 HA ASN 49 - HB2 ARG 66 far 0 56 0 - 7.7-10.4 HA ALA 30 - HB2 ARG 27 far 0 79 0 - 7.9-8.4 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 + HB3 ARG 23 OK 98 100 100 98 2.2-3.0 3.0=88, 1286/1.8=33...(42) HG2 ARG 23 + HB2 ARG 23 OK 98 100 100 98 2.5-3.0 3.0=88, 1287/1.8=33...(42) HG3 ARG 66 + HB2 ARG 66 OK 37 37 100 100 2.3-3.0 2.8=100 HB3 LEU 64 - HB3 ARG 27 far 5 47 10 - 2.5-5.2 HB3 LEU 64 - HB2 ARG 27 far 0 48 0 - 3.9-6.6 HG2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.1 HG2 ARG 23 - HB3 ARG 71 far 0 79 0 - 5.7-12.4 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 5.9-6.6 HG2 ARG 23 - HB3 ARG 27 far 0 83 0 - 6.1-11.0 HG LEU 29 - HB3 ARG 27 far 0 82 0 - 6.2-6.7 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 6.7-13.1 HD2 LYS 75 - HB3 ARG 71 far 0 77 0 - 7.0-15.7 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 7.1-9.6 HD3 LYS 75 - HB3 ARG 71 far 0 77 0 - 7.4-16.0 HB3 GLN 61 - HB2 ARG 27 far 0 77 0 - 8.2-11.2 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 8.3-15.4 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 8.5-11.5 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 8.7-15.7 HB3 LEU 64 - HB2 ARG 66 far 0 34 0 - 8.8-9.2 HB3 LEU 64 - HB2 ARG 23 far 0 65 0 - 9.0-13.7 HB3 LEU 64 - HB2 ARG 71 far 0 45 0 - 9.1-11.3 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 9.1-11.1 HG3 ARG 66 - HB3 ARG 71 far 0 48 0 - 9.6-13.4 HB3 LEU 64 - HB3 ARG 71 far 0 44 0 - 9.7-12.1 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 9.8-26.0 HG3 ARG 66 - HB2 ARG 71 far 0 49 0 - 9.8-12.6 HB3 LEU 64 - HB3 ARG 23 far 0 65 0 - 10.0-14.3 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 15 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 17 83 25 85 3.8-5.6 2.1/5028=34, 2.1/5022=31...(11) HG3 ARG 23 - HB2 ARG 27 far 4 83 5 - 4.2-9.8 HG LEU 64 - HB2 ARG 27 far 0 83 0 - 4.6-7.1 HG3 ARG 23 - HB3 ARG 71 far 0 79 0 - 5.6-13.1 HG3 ARG 23 - HB3 ARG 27 far 0 83 0 - 5.7-11.2 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 6.4-13.7 HG LEU 62 - HB2 ARG 66 far 0 37 0 - 6.5-8.1 HG LEU 64 - HB2 ARG 71 far 0 79 0 - 7.6-12.1 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 8.2-11.3 HG LEU 64 - HB2 ARG 66 far 0 63 0 - 8.3-8.8 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.1-14.2 HB3 LEU 86 - HB2 ARG 66 far 0 42 0 - 9.3-38.4 HG LEU 64 - HB2 ARG 23 far 0 100 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 12 out of 44 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.6-4.1 3.5=76, 2.9/1286=29...(35) HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1286=29...(35) * HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.1 3.5=76, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 77 82 95 99 2.1-4.1 3.5=76, 5382/4.1=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 73 82 90 99 2.3-4.2 3.5=76, 5382/4.1=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 73 82 90 99 2.1-4.2 3.5=76, 5382/4.1=13...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 49 100 97 2.3-3.8 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 47 48 100 97 2.0-3.8 3.5=76, 2937/3.0=26...(26) HD3 ARG 66 + HB2 ARG 66 OK 41 42 100 97 2.0-3.6 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 38 39 100 97 2.0-3.7 3.4=82, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 23 far 5 100 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 5 100 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 5 98 5 - 3.9-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 4.5-12.4 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 79 0 - 5.0-9.1 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 48 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 9.3-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 12 out of 44 assignments used, quality = 1.00: * HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.6-4.1 3.5=76, 2.9/1286=29...(35) HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1286=29...(35) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.1 3.5=76, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 77 82 95 99 2.1-4.1 3.5=76, 5382/4.1=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 73 82 90 99 2.3-4.2 3.5=76, 5382/4.1=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 73 82 90 99 2.1-4.2 3.5=76, 5382/4.1=13...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 49 100 97 2.3-3.8 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 47 48 100 97 2.0-3.8 3.5=76, 2937/3.0=26...(26) HD3 ARG 66 + HB2 ARG 66 OK 41 42 100 97 2.0-3.6 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 38 39 100 97 2.0-3.7 3.4=82, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 23 far 5 100 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 5 100 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 5 98 5 - 3.9-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 4.5-12.4 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 79 0 - 5.0-9.1 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 48 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 8.6-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 9.3-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 10.0-12.5 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 2.1-3.7 1264=100, 3.0/1286=38...(27) HA ARG 27 - HG2 ARG 23 far 0 97 0 - 6.3-10.7 Violated in 0 structures by 0.00 A. Peak 1286 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.5-3.0 3.0=86, 3.0/1264=32...(42) HB3 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.2-3.0 3.0=86, 3.0/1264=32...(42) HB2 ARG 27 - HG2 ARG 23 far 0 99 0 - 4.9-10.1 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 5.7-12.4 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 6.1-11.0 HB2 ARG 71 - HG2 ARG 23 far 0 99 0 - 6.7-13.1 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.2-3.0 3.0=86, 3.0/1264=32...(42) HB2 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.5-3.0 3.0=86, 3.0/1264=32...(42) HB2 ARG 27 - HG2 ARG 23 far 0 100 0 - 4.9-10.1 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 5.7-12.4 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 6.1-11.0 HB2 ARG 71 - HG2 ARG 23 far 0 100 0 - 6.7-13.1 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 2 assignments used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 - HG2 ARG 23 far 0 100 0 - 9.6-14.5 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 2.2-3.0 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 10 98 10 - 2.5-9.5 HD3 ARG 26 - HG2 ARG 23 far 5 97 5 - 4.0-9.7 HD3 ARG 27 - HG2 ARG 23 far 0 100 0 - 4.8-10.7 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 4.8-13.8 HD2 ARG 27 - HG2 ARG 23 far 0 100 0 - 5.3-9.8 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 2.2-3.0 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 10 98 10 - 2.5-9.5 HD3 ARG 26 - HG2 ARG 23 far 5 97 5 - 4.0-9.7 HD3 ARG 27 - HG2 ARG 23 far 0 100 0 - 4.8-10.7 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 4.8-13.8 HD2 ARG 27 - HG2 ARG 23 far 0 100 0 - 5.3-9.8 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 2.2-3.9 3.8=100 HA ARG 27 - HG LEU 64 far 0 81 0 - 6.2-7.7 HA ARG 27 - HG3 ARG 23 far 0 97 0 - 6.4-11.3 HA ASN 49 - HG LEU 62 far 0 38 0 - 6.5-8.2 HA ASN 49 - HG2 ARG 82 far 0 77 0 - 9.7-30.8 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 17 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 4 85 5 - 3.8-5.6 HB2 ARG 27 - HG3 ARG 23 far 0 99 0 - 4.2-9.8 HB2 ARG 27 - HG LEU 64 far 0 86 0 - 4.6-7.1 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 5.6-13.1 HB3 ARG 27 - HG3 ARG 23 far 0 99 0 - 5.7-11.2 HB2 ARG 71 - HG3 ARG 23 far 0 99 0 - 6.4-13.7 HB2 ARG 66 - HG LEU 62 far 0 20 0 - 6.5-8.1 HB2 ARG 71 - HG LEU 64 far 0 86 0 - 7.6-12.1 HB3 ARG 71 - HG LEU 64 far 0 85 0 - 8.2-11.3 HB2 ARG 66 - HG LEU 64 far 0 47 0 - 8.3-8.8 HB2 LYS 75 - HG3 ARG 23 far 0 100 0 - 8.6-24.7 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.1-14.2 HB2 ARG 23 - HG LEU 64 far 0 88 0 - 9.7-14.2 HB ILE 89 - HG LEU 62 far 0 27 0 - 9.8-51.0 HB2 LYS 39 - HG2 ARG 82 far 0 81 0 - 9.8-35.8 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 17 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 4 86 5 - 3.8-5.6 HB2 ARG 27 - HG3 ARG 23 far 0 100 0 - 4.2-9.8 HB2 ARG 27 - HG LEU 64 far 0 87 0 - 4.6-7.1 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 5.6-13.1 HB3 ARG 27 - HG3 ARG 23 far 0 99 0 - 5.7-11.2 HB2 ARG 71 - HG3 ARG 23 far 0 100 0 - 6.4-13.7 HB2 ARG 66 - HG LEU 62 far 0 22 0 - 6.5-8.1 HB2 ARG 71 - HG LEU 64 far 0 87 0 - 7.6-12.1 HB3 ARG 71 - HG LEU 64 far 0 86 0 - 8.2-11.3 HB2 ARG 66 - HG LEU 64 far 0 49 0 - 8.3-8.8 HB2 LYS 75 - HG3 ARG 23 far 0 100 0 - 8.6-24.7 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.1-14.2 HB2 ARG 23 - HG LEU 64 far 0 88 0 - 9.7-14.2 HB ILE 89 - HG LEU 62 far 0 26 0 - 9.8-51.0 HB2 LYS 39 - HG2 ARG 82 far 0 82 0 - 9.8-35.8 Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (1.67, 1.54, 27.31 ppm; 2.40 A): 3 out of 15 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 OK 48 56 100 87 2.4-3.0 2.9=56, 1.8/5479=46...(10) HB3 LEU 64 + HG LEU 64 OK 41 51 100 80 2.9-3.0 3.0=52, 3.0/2616=21...(7) HB3 GLN 61 - HG LEU 64 far 0 81 0 - 3.8-6.8 HG3 ARG 66 - HG LEU 62 far 0 25 0 - 4.0-6.6 HD3 LYS 13 - HG2 ARG 82 far 0 84 0 - 4.7-57.5 HB3 GLN 61 - HG LEU 62 far 0 39 0 - 5.2-6.5 HD2 LYS 13 - HG2 ARG 82 far 0 84 0 - 6.1-56.7 HG3 ARG 66 - HG LEU 64 far 0 56 0 - 6.2-9.1 HB3 LYS 13 - HG2 ARG 82 far 0 78 0 - 7.9-60.7 HB3 LEU 64 - HG3 ARG 23 far 0 65 0 - 8.0-15.0 HB3 LEU 64 - HG LEU 62 far 0 23 0 - 8.9-9.4 HG LEU 29 - HG3 ARG 23 far 0 100 0 - 9.1-12.9 HG LEU 29 - HG LEU 64 far 0 87 0 - 9.1-10.1 HG2 ARG 23 - HG LEU 64 far 0 88 0 - 9.6-14.5 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 19 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 2.4-3.0 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 5 100 5 - 3.3-10.9 HD2 ARG 26 - HG3 ARG 23 far 5 98 5 - 3.8-9.1 HD3 ARG 84 - HG2 ARG 82 far 4 71 5 - 3.7-10.6 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 4.2-8.6 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 4.2-10.1 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 4.2-15.0 HD3 ARG 66 - HG LEU 62 far 0 28 0 - 4.4-8.4 HD2 ARG 27 - HG LEU 64 far 0 87 0 - 4.6-8.2 HD2 ARG 27 - HG3 ARG 23 far 0 100 0 - 4.7-10.4 HD3 ARG 27 - HG LEU 64 far 0 87 0 - 4.7-8.6 HD3 ARG 26 - HG3 ARG 23 far 0 97 0 - 4.8-9.5 HD3 ARG 84 - HG LEU 62 far 0 35 0 - 7.4-37.6 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.8-12.3 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 7.9-10.1 HD2 ARG 84 - HG LEU 62 far 0 33 0 - 7.9-37.4 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.3-10.2 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 19 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 2.4-3.0 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 5 100 5 - 3.3-10.9 HD2 ARG 26 - HG3 ARG 23 far 5 98 5 - 3.8-9.1 HD3 ARG 84 - HG2 ARG 82 far 4 71 5 - 3.7-10.6 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 4.2-8.6 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 4.2-10.1 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 4.2-15.0 HD3 ARG 66 - HG LEU 62 far 0 28 0 - 4.4-8.4 HD2 ARG 27 - HG LEU 64 far 0 87 0 - 4.6-8.2 HD2 ARG 27 - HG3 ARG 23 far 0 100 0 - 4.7-10.4 HD3 ARG 27 - HG LEU 64 far 0 87 0 - 4.7-8.6 HD3 ARG 26 - HG3 ARG 23 far 0 97 0 - 4.8-9.5 HD3 ARG 84 - HG LEU 62 far 0 35 0 - 7.4-37.6 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.8-12.3 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 7.9-10.1 HD2 ARG 84 - HG LEU 62 far 0 33 0 - 7.9-37.4 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 1301 from cnoeabs.peaks (4.13, 3.17, 43.10 ppm; 4.29 A): 6 out of 25 assignments used, quality = 1.00: HA ARG 27 + HD2 ARG 27 OK 96 96 100 100 2.1-4.8 5.4=51, 1419/3.0=34...(58) HA ARG 27 + HD3 ARG 27 OK 96 96 100 100 2.0-4.7 5.4=51, 1419/3.0=34...(58) * HA ARG 23 + HD2 ARG 23 OK 94 100 95 99 2.5-5.5 1264/2.9=74, 5.2=56...(33) HA ARG 23 + HD3 ARG 23 OK 89 100 90 99 2.4-5.5 1264/2.9=74, 5.2=56...(33) HA ARG 23 + HD2 ARG 26 OK 34 98 70 50 3.6-6.2 5345/6.1=30, 5344/3.5=13...(5) HA ARG 23 + HD3 ARG 26 OK 22 97 45 50 3.5-6.5 5345/6.1=30, 5344/3.5=13...(5) HA ARG 23 - HD3 ARG 27 far 5 100 5 - 5.1-9.4 HA ARG 27 - HD2 ARG 26 far 5 93 5 - 3.7-8.0 HA ARG 27 - HD3 ARG 26 far 5 92 5 - 4.2-8.0 HA ARG 23 - HD2 ARG 27 far 0 100 0 - 5.4-9.5 HA ASN 49 - HD3 ARG 66 far 0 37 0 - 5.5-13.0 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.5-12.1 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 5.8-10.3 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 6.5-11.8 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.6-11.5 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.6-10.0 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 6.6-10.4 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 6.9-26.1 HA ASN 49 - HD3 ARG 84 far 0 83 0 - 7.2-38.6 HA ASN 49 - HD2 ARG 84 far 0 79 0 - 7.3-40.0 HA ARG 27 - HD2 ARG 23 far 0 97 0 - 7.4-11.3 HA ARG 23 - HD2 ARG 71 far 0 71 0 - 7.5-14.7 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 7.7-27.0 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 9.1-14.9 HB THR 88 - HD3 ARG 84 far 0 88 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 1302 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 52 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 94 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB3 ARG 23 + HD3 ARG 23 OK 90 100 95 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) * HB2 ARG 23 + HD2 ARG 23 OK 90 100 95 95 2.6-4.1 3.5=54, 1286/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 88 99 95 94 2.2-4.1 3.5=54, 4.1/5382=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 88 99 95 94 2.1-4.1 3.5=54, 4.1/5382=9...(58) HB3 ARG 23 + HD2 ARG 23 OK 80 100 85 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB2 ARG 23 + HD3 ARG 23 OK 71 100 75 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB2 ARG 27 + HD3 ARG 27 OK 70 99 75 94 2.3-4.2 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD2 ARG 27 OK 70 99 75 94 2.1-4.2 3.5=54, 4.1/5382=10...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.3-3.8 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 60 68 100 88 2.0-3.8 3.5=54, 3.0/2902=17...(30) HB2 ARG 17 + HD3 ARG 17 OK 52 98 55 95 2.2-4.2 3.6=52, 1161/1.8=19...(42) HB2 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 46 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 49 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 53 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB3 ARG 23 + HD3 ARG 23 OK 90 100 95 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 90 100 95 95 2.6-4.1 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 89 99 95 94 2.2-4.1 3.5=54, 4.1/5382=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 88 99 95 94 2.1-4.1 3.5=54, 4.1/5382=9...(58) * HB3 ARG 23 + HD2 ARG 23 OK 80 100 85 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD3 ARG 23 OK 71 100 75 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD3 ARG 27 OK 70 99 75 94 2.3-4.2 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD2 ARG 27 OK 70 99 75 94 2.1-4.2 3.5=54, 4.1/5382=10...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 70 100 88 2.3-3.8 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.0-3.8 3.5=54, 3.0/2902=17...(30) HB2 ARG 17 + HD3 ARG 17 OK 51 98 55 95 2.2-4.2 3.6=52, 1161/1.8=19...(42) HB2 ARG 66 - HD3 ARG 66 poor 18 20 100 88 2.0-3.6 3.4=58, ~2701=14...(18) HB2 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 48 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 51 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 2.95 A): 5 out of 43 assignments used, quality = 1.00: HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 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 42 55 100 77 2.2-3.6 3.6=53, ~5479=23...(6) 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 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 27 far 6 65 10 - 3.2-8.1 HG2 ARG 23 - HD2 ARG 26 far 5 98 5 - 2.5-9.5 HB3 LEU 64 - HD2 ARG 27 far 3 65 5 - 2.8-7.0 HG2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.0-9.7 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 4.1-7.3 HG3 ARG 66 - HD2 ARG 84 far 0 55 0 - 4.5-33.4 HG LEU 29 - HD2 ARG 26 far 0 98 0 - 4.6-8.2 HG2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-10.7 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.8-13.8 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.3-9.8 HG3 ARG 66 - HD3 ARG 84 far 0 58 0 - 5.3-33.6 HB2 ARG 82 - HD3 ARG 84 far 0 60 0 - 5.4-9.6 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 5.7-8.7 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 5.8-9.2 HB2 ARG 82 - HD2 ARG 84 far 0 57 0 - 6.0-8.8 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 6.8-17.6 HD3 LYS 13 - HD2 ARG 82 far 0 83 0 - 6.9-55.8 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 7.2-18.3 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 7.4-16.9 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 7.9-22.7 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 8.0-10.5 HD2 LYS 13 - HD2 ARG 82 far 0 83 0 - 8.1-54.9 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 8.1-21.7 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 8.2-11.9 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 8.2-17.3 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.5-16.8 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 8.5-11.1 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 8.5-13.2 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 8.8-16.7 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.1-12.6 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 9.3-16.1 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 9.3-12.1 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 9.3-16.5 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.4-11.2 HB3 LEU 64 - HD2 ARG 26 far 0 61 0 - 9.5-14.6 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 9.5-12.8 HB3 LEU 64 - HD2 ARG 23 far 0 65 0 - 9.6-16.2 HG3 ARG 66 - HD3 ARG 27 far 0 70 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 2.92 A): 3 out of 25 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=99, 3.8/1267=6...(29) HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.4-3.0 2.9=99, ~1286=6, ~1287=6...(29) HG2 ARG 82 + HD2 ARG 82 OK 74 76 100 97 2.3-3.0 3.0=92, 5479/3.6=34...(9) HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.3-10.9 HG3 ARG 23 - HD2 ARG 26 far 5 98 5 - 3.8-9.1 HG2 ARG 82 - HD3 ARG 84 far 4 81 5 - 3.7-10.6 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 4.0-12.3 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 4.2-8.6 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 4.2-10.1 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.2-15.0 HG LEU 62 - HD3 ARG 66 far 0 24 0 - 4.4-8.4 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.6-8.2 HG3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.7-10.4 HG LEU 64 - HD3 ARG 27 far 0 100 0 - 4.7-8.6 HG3 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.5 HB3 LEU 86 - HD2 ARG 84 far 0 62 0 - 5.0-11.8 HB3 LEU 86 - HD2 ARG 66 far 0 25 0 - 5.9-40.8 HB3 LEU 86 - HD3 ARG 66 far 0 27 0 - 6.7-41.0 HG2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.4-22.2 HG LEU 62 - HD3 ARG 84 far 0 58 0 - 7.4-37.6 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.8-12.3 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 7.9-10.1 HG LEU 62 - HD2 ARG 84 far 0 55 0 - 7.9-37.4 HG2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.0-23.5 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.3-10.2 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): 6 out of 25 assignments used, quality = 1.00: HA ARG 27 + HD2 ARG 27 OK 96 96 100 100 2.1-4.8 5.4=51, 1419/3.0=34...(58) HA ARG 27 + HD3 ARG 27 OK 96 96 100 100 2.0-4.7 5.4=51, 1419/3.0=34...(58) HA ARG 23 + HD2 ARG 23 OK 94 100 95 99 2.5-5.5 1264/2.9=74, 5.2=56...(33) * HA ARG 23 + HD3 ARG 23 OK 89 100 90 99 2.4-5.5 1264/2.9=74, 5.2=56...(33) HA ARG 23 + HD2 ARG 26 OK 34 98 70 50 3.6-6.2 5345/6.1=30, 5344/3.5=13...(5) HA ARG 23 + HD3 ARG 26 OK 22 97 45 50 3.5-6.5 5345/6.1=30, 5344/3.5=13...(5) HA ARG 23 - HD3 ARG 27 far 5 100 5 - 5.1-9.4 HA ARG 27 - HD2 ARG 26 far 5 93 5 - 3.7-8.0 HA ARG 27 - HD3 ARG 26 far 5 92 5 - 4.2-8.0 HA ARG 23 - HD2 ARG 27 far 0 100 0 - 5.4-9.5 HA ASN 49 - HD3 ARG 66 far 0 37 0 - 5.5-13.0 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.5-12.1 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 5.8-10.3 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 6.5-11.8 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.6-11.5 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.6-10.0 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 6.6-10.4 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 6.9-26.1 HA ASN 49 - HD3 ARG 84 far 0 83 0 - 7.2-38.6 HA ASN 49 - HD2 ARG 84 far 0 79 0 - 7.3-40.0 HA ARG 27 - HD2 ARG 23 far 0 97 0 - 7.4-11.3 HA ARG 23 - HD2 ARG 71 far 0 71 0 - 7.5-14.7 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 7.7-27.0 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 9.1-14.9 HB THR 88 - HD3 ARG 84 far 0 88 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 1310 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 52 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 94 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB3 ARG 23 + HD3 ARG 23 OK 90 100 95 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 90 100 95 95 2.6-4.1 3.5=54, 1286/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 88 99 95 94 2.2-4.1 3.5=54, 4.1/5382=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 88 99 95 94 2.1-4.1 3.5=54, 4.1/5382=9...(58) HB3 ARG 23 + HD2 ARG 23 OK 80 100 85 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) * HB2 ARG 23 + HD3 ARG 23 OK 71 100 75 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB2 ARG 27 + HD3 ARG 27 OK 70 99 75 94 2.3-4.2 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD2 ARG 27 OK 70 99 75 94 2.1-4.2 3.5=54, 4.1/5382=10...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.3-3.8 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 60 68 100 88 2.0-3.8 3.5=54, 3.0/2902=17...(30) HB2 ARG 17 + HD3 ARG 17 OK 52 98 55 95 2.2-4.2 3.6=52, 1161/1.8=19...(42) HB2 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 46 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 49 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 53 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) * HB3 ARG 23 + HD3 ARG 23 OK 90 100 95 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 90 100 95 95 2.6-4.1 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 89 99 95 94 2.2-4.1 3.5=54, 4.1/5382=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 88 99 95 94 2.1-4.1 3.5=54, 4.1/5382=9...(58) HB3 ARG 23 + HD2 ARG 23 OK 80 100 85 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD3 ARG 23 OK 71 100 75 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD3 ARG 27 OK 70 99 75 94 2.3-4.2 3.5=54, 4.1/5382=9...(58) HB3 ARG 27 + HD2 ARG 27 OK 70 99 75 94 2.1-4.2 3.5=54, 4.1/5382=10...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 70 100 88 2.3-3.8 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.0-3.8 3.5=54, 3.0/2902=17...(30) HB2 ARG 17 + HD3 ARG 17 OK 51 98 55 95 2.2-4.2 3.6=52, 1161/1.8=19...(42) HB2 ARG 66 - HD3 ARG 66 poor 18 20 100 88 2.0-3.6 3.4=58, ~2701=14...(18) HB2 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.5-12.4 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.1 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 48 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 51 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 7.3-12.9 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 7.4-10.1 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 8.6-12.4 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 9.3-24.2 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 2.95 A): 5 out of 43 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 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 42 55 100 77 2.2-3.6 3.6=53, ~5479=23...(6) 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 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 27 far 6 65 10 - 3.2-8.1 HG2 ARG 23 - HD2 ARG 26 far 5 98 5 - 2.5-9.5 HB3 LEU 64 - HD2 ARG 27 far 3 65 5 - 2.8-7.0 HG2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.0-9.7 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 4.1-7.3 HG3 ARG 66 - HD2 ARG 84 far 0 55 0 - 4.5-33.4 HG LEU 29 - HD2 ARG 26 far 0 98 0 - 4.6-8.2 HG2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-10.7 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.8-13.8 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.3-9.8 HG3 ARG 66 - HD3 ARG 84 far 0 58 0 - 5.3-33.6 HB2 ARG 82 - HD3 ARG 84 far 0 60 0 - 5.4-9.6 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 5.7-8.7 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 5.8-9.2 HB2 ARG 82 - HD2 ARG 84 far 0 57 0 - 6.0-8.8 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 6.8-17.6 HD3 LYS 13 - HD2 ARG 82 far 0 83 0 - 6.9-55.8 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 7.2-18.3 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 7.4-16.9 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 7.9-22.7 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 8.0-10.5 HD2 LYS 13 - HD2 ARG 82 far 0 83 0 - 8.1-54.9 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 8.1-21.7 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 8.2-11.9 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 8.2-17.3 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.5-16.8 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 8.5-11.1 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 8.5-13.2 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 8.8-16.7 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.1-12.6 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 9.3-16.1 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 9.3-12.1 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 9.3-16.5 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.4-11.2 HB3 LEU 64 - HD2 ARG 26 far 0 61 0 - 9.5-14.6 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 9.5-12.8 HB3 LEU 64 - HD2 ARG 23 far 0 65 0 - 9.6-16.2 HG3 ARG 66 - HD3 ARG 27 far 0 70 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 1313 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 2.92 A): 3 out of 25 assignments used, quality = 1.00: HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=99, 3.8/1267=6...(29) * HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.4-3.0 2.9=99, ~1286=6, ~1287=6...(29) HG2 ARG 82 + HD2 ARG 82 OK 74 76 100 97 2.3-3.0 3.0=92, 5479/3.6=34...(9) HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.3-10.9 HG3 ARG 23 - HD2 ARG 26 far 5 98 5 - 3.8-9.1 HG2 ARG 82 - HD3 ARG 84 far 4 81 5 - 3.7-10.6 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 4.0-12.3 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 4.2-8.6 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 4.2-10.1 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 4.2-15.0 HG LEU 62 - HD3 ARG 66 far 0 24 0 - 4.4-8.4 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.6-8.2 HG3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.7-10.4 HG LEU 64 - HD3 ARG 27 far 0 100 0 - 4.7-8.6 HG3 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.8-9.5 HB3 LEU 86 - HD2 ARG 84 far 0 62 0 - 5.0-11.8 HB3 LEU 86 - HD2 ARG 66 far 0 25 0 - 5.9-40.8 HB3 LEU 86 - HD3 ARG 66 far 0 27 0 - 6.7-41.0 HG2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.4-22.2 HG LEU 62 - HD3 ARG 84 far 0 58 0 - 7.4-37.6 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.8-12.3 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 7.9-10.1 HG LEU 62 - HD2 ARG 84 far 0 55 0 - 7.9-37.4 HG2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.0-23.5 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.3-10.2 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 2.4-3.0 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 2.4-3.0 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 2.8-3.6 4.0=100 H GLU 19 - HB2 ASP 24 far 0 93 0 - 9.4-14.6 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 2.4-3.0 3.0=100 HA ASP 67 - HB2 ASP 24 far 0 97 0 - 7.4-10.1 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 2.1-2.8 4.0=100 H GLU 19 - HB3 ASP 24 far 0 93 0 - 9.5-15.1 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 2.4-3.0 3.0=100 HA ASP 46 - HB3 ASP 47 far 0 58 0 - 5.6-6.4 HA ASP 67 - HB3 ASP 24 far 0 97 0 - 7.7-11.4 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 - 4.6-6.0 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): 7 out of 17 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 86 96 100 90 3.1-3.7 2.9/4181=52, 5347=37...(13) H ARG 27 + HA GLU 25 OK 53 76 95 74 3.7-4.9 5380/3.6=37...(9) H ARG 27 + HA ARG 26 OK 51 53 100 97 3.4-3.6 3.6=87, 5380/3.0=45...(9) H ALA 28 + HA ARG 27 OK 48 50 100 97 3.4-3.5 3.6=87, 71/3.0=25...(12) H ARG 27 + HA ARG 27 OK 36 36 100 100 2.8-2.9 3.0=100 H ALA 28 + HA ARG 26 OK 29 71 75 53 3.8-4.7 76/4184=27, 5347=14...(5) H SER 22 - HA GLU 25 far 0 97 0 - 4.7-7.5 H SER 22 - HA ARG 26 far 0 74 0 - 4.9-9.0 H ALA 77 - HA ARG 71 far 0 61 0 - 5.0-14.5 H GLU 25 - HA ARG 26 far 0 79 0 - 5.1-5.5 H SER 22 - HA ARG 71 far 0 88 0 - 6.3-16.9 H GLU 25 - HA ARG 27 far 0 56 0 - 6.5-7.4 H GLN 79 - HA ARG 71 far 0 81 0 - 6.8-21.8 H GLU 25 - HA ARG 71 far 0 93 0 - 7.8-13.5 H SER 22 - HA ARG 27 far 0 51 0 - 8.5-11.6 H ARG 27 - HA ARG 71 far 0 65 0 - 10.0-14.5 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 15 assignments used, quality = 1.00: * HB2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 GLU 25 - HA ARG 26 far 8 79 10 - 3.8-5.6 HB2 GLU 25 - HA ARG 26 far 0 79 0 - 4.1-4.8 HB3 MET 31 - HA ARG 27 far 0 44 0 - 4.5-6.4 HB3 GLU 19 - HA ARG 26 far 0 67 0 - 5.6-13.8 HB3 GLU 19 - HA GLU 25 far 0 92 0 - 5.8-12.0 HB VAL 76 - HA ARG 71 far 0 89 0 - 6.4-15.3 HD3 ARG 69 - HA ARG 71 far 0 65 0 - 6.8-10.2 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.1-8.0 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.2-8.3 HB3 MET 31 - HA ARG 26 far 0 64 0 - 7.4-9.9 HD2 ARG 69 - HA ARG 71 far 0 65 0 - 7.7-10.8 HB3 MET 31 - HA GLU 25 far 0 89 0 - 8.3-10.6 HB3 GLU 19 - HA ARG 27 far 0 46 0 - 9.6-17.2 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 15 assignments used, quality = 1.00: * HB3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 25 - HA ARG 26 far 8 79 10 - 3.8-5.6 HB2 GLU 25 - HA ARG 26 far 0 79 0 - 4.1-4.8 HB3 MET 31 - HA ARG 27 far 0 45 0 - 4.5-6.4 HB3 GLU 19 - HA ARG 26 far 0 66 0 - 5.6-13.8 HB3 GLU 19 - HA GLU 25 far 0 90 0 - 5.8-12.0 HB VAL 76 - HA ARG 71 far 0 88 0 - 6.4-15.3 HD3 ARG 69 - HA ARG 71 far 0 63 0 - 6.8-10.2 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.1-8.0 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.2-8.3 HB3 MET 31 - HA ARG 26 far 0 66 0 - 7.4-9.9 HD2 ARG 69 - HA ARG 71 far 0 63 0 - 7.7-10.8 HB3 MET 31 - HA GLU 25 far 0 90 0 - 8.3-10.6 HB3 GLU 19 - HA ARG 27 far 0 45 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (2.26, 4.09, 58.48 ppm; 3.60 A): 1 out of 9 assignments used, quality = 1.00: * HG2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.4-3.7 1347=71, 1.8/1333=66...(17) HG2 GLU 25 - HA ARG 26 far 12 79 15 - 3.0-6.6 HG3 GLU 19 - HA GLU 25 far 0 63 0 - 6.5-13.5 HG2 GLU 25 - HA ARG 27 far 0 56 0 - 7.1-9.0 HG2 GLU 19 - HA GLU 25 far 0 63 0 - 7.6-13.6 HG2 GLU 19 - HA ARG 26 far 0 43 0 - 7.8-13.8 HG3 GLU 19 - HA ARG 26 far 0 43 0 - 8.4-13.1 HG2 GLU 25 - HA ARG 71 far 0 93 0 - 8.9-14.9 HB2 PRO 14 - HA ARG 26 far 0 64 0 - 9.4-21.9 Violated in 3 structures by 0.01 A. Peak 1333 from cnoeabs.peaks (2.30, 4.09, 58.48 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.2-3.9 1353=99, 1.8/1332=81...(21) HG3 GLU 25 - HA ARG 26 far 12 79 15 - 3.5-6.6 HG2 GLN 79 - HA ARG 71 far 0 61 0 - 6.6-22.3 HG3 GLU 25 - HA ARG 27 far 0 56 0 - 7.4-9.7 HG3 GLN 79 - HA ARG 71 far 0 61 0 - 8.2-23.4 HB2 PRO 14 - HA ARG 26 far 0 47 0 - 9.4-21.9 HG3 GLU 25 - HA ARG 71 far 0 93 0 - 9.8-16.6 Violated in 1 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 4 out of 8 assignments used, quality = 1.00: * H GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.1-3.6 4.0=65, 523/3.0=45...(16) H GLU 25 + HB3 GLU 25 OK 98 100 100 98 2.3-3.6 4.0=65, 523/3.0=45...(14) H SER 22 + HB2 GLU 25 OK 61 97 75 84 2.0-5.6 2.9/4153=36, 4152=20...(10) H SER 22 + HB3 GLU 25 OK 61 97 80 79 2.8-7.3 ~4153=25, 4152/1.8=20...(10) H ARG 27 - HB2 GLU 25 far 0 76 0 - 4.4-5.6 H ARG 27 - HB3 GLU 25 far 0 76 0 - 4.7-6.2 H ALA 28 - HB3 GLU 25 far 0 96 0 - 4.8-5.7 H ALA 28 - HB2 GLU 25 far 0 96 0 - 4.8-5.7 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 7 assignments used, quality = 1.00: * HA GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.4-2.7 3.0=100 HA ARG 26 - HB3 GLU 25 poor 17 83 20 - 3.8-5.6 HA ARG 26 - HB2 GLU 25 far 0 83 0 - 4.1-4.8 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.1-8.0 HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.2-8.3 HA VAL 90 - HB3 PRO 56 far 0 49 0 - 8.8-60.6 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 6 assignments used, quality = 1.00: * HG2 GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.3-3.0 3.0=88, 1332/3.0=35...(22) HG2 GLU 25 + HB3 GLU 25 OK 99 100 100 99 2.6-3.0 3.0=88, 1332/3.0=35...(19) HG3 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.9-11.3 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.2-11.5 HG2 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.9-11.6 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 6.3-11.3 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 2 assignments used, quality = 1.00: * HG3 GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.2-3.0 3.0=100 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 8 assignments used, quality = 1.00: H GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.1-3.6 4.0=65, 523/3.0=45...(16) * H GLU 25 + HB3 GLU 25 OK 98 100 100 98 2.3-3.6 4.0=65, 523/3.0=45...(14) H SER 22 + HB2 GLU 25 OK 61 97 75 84 2.0-5.6 2.9/4153=36, 4152=20...(10) H SER 22 + HB3 GLU 25 OK 61 97 80 79 2.8-7.3 ~4153=25, 4152/1.8=20...(10) H ARG 27 - HB2 GLU 25 far 0 76 0 - 4.4-5.6 H ARG 27 - HB3 GLU 25 far 0 76 0 - 4.7-6.2 H ALA 28 - HB3 GLU 25 far 0 96 0 - 4.8-5.7 H ALA 28 - HB2 GLU 25 far 0 96 0 - 4.8-5.7 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 7 assignments used, quality = 1.00: * HA GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 26 - HB3 GLU 25 poor 17 83 20 - 3.8-5.6 HA ARG 26 - HB2 GLU 25 far 0 83 0 - 4.1-4.8 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.1-8.0 HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.2-8.3 HA VAL 90 - HB3 PRO 56 far 0 47 0 - 8.8-60.6 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 6 assignments used, quality = 1.00: HG2 GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.3-3.0 3.0=88, 1332/3.0=35...(22) * HG2 GLU 25 + HB3 GLU 25 OK 99 100 100 99 2.6-3.0 3.0=88, 1332/3.0=35...(19) HG3 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.9-11.3 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.2-11.5 HG2 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.9-11.6 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 6.3-11.3 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 2 assignments used, quality = 1.00: * HG3 GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.2-3.0 3.0=100 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 13 assignments used, quality = 1.00: * H GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.0-3.7 523=100, 524/1.8=84...(13) H SER 22 + HG2 GLU 25 OK 78 97 85 95 2.1-6.3 3.9/5498=40, 2.9/5500=36...(10) H ARG 27 - HG2 GLU 25 far 11 76 15 - 4.6-6.5 H ALA 28 - HG2 GLU 25 far 5 96 5 - 5.0-6.6 H SER 22 - HG2 GLU 19 far 3 57 5 - 5.2-11.6 H SER 22 - HG3 GLU 19 far 0 57 0 - 5.7-11.8 H GLU 25 - HG2 GLU 19 far 0 62 0 - 7.6-14.2 H GLU 25 - HG3 GLU 19 far 0 62 0 - 8.3-14.1 H ALA 28 - HG3 GLU 19 far 0 55 0 - 8.5-15.4 H ALA 77 - HG2 GLU 25 far 0 71 0 - 8.8-27.9 H ALA 28 - HG2 GLU 19 far 0 55 0 - 9.0-15.8 H THR 15 - HG2 GLU 19 far 0 61 0 - 9.7-17.5 H ARG 27 - HG3 GLU 19 far 0 40 0 - 9.9-15.7 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 8 assignments used, quality = 1.00: * HA GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.4-3.7 1332=100, 1333/1.8=81...(17) HA ARG 26 - HG2 GLU 25 far 12 83 15 - 3.0-6.6 HA GLU 25 - HG3 GLU 19 far 0 62 0 - 6.5-13.5 HA ARG 27 - HG2 GLU 25 far 0 65 0 - 7.1-9.0 HA GLU 25 - HG2 GLU 19 far 0 62 0 - 7.6-13.6 HA ARG 26 - HG2 GLU 19 far 0 45 0 - 7.8-13.8 HA ARG 26 - HG3 GLU 19 far 0 45 0 - 8.4-13.1 HA ARG 71 - HG2 GLU 25 far 0 95 0 - 8.9-14.9 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 9 assignments used, quality = 1.00: * HB2 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.3-3.0 3.0=74, 3.0/1332=31...(20) HB3 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.6-3.0 3.0=74, 3.0/1332=31...(16) HB3 GLU 19 + HG2 GLU 19 OK 44 52 100 86 2.3-3.0 3.0=73, 1223/1.8=18...(11) HB3 GLU 19 + HG3 GLU 19 OK 44 52 100 86 2.4-3.0 3.0=73, 1223/1.8=18...(11) HB3 GLU 25 - HG3 GLU 19 far 0 62 0 - 4.9-11.3 HB3 GLU 19 - HG2 GLU 25 far 0 92 0 - 5.0-11.7 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 6.3-11.3 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 9 assignments used, quality = 1.00: HB2 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.3-3.0 3.0=74, 3.0/1332=31...(20) * HB3 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.6-3.0 3.0=74, 3.0/1332=31...(16) HB3 GLU 19 + HG2 GLU 19 OK 43 50 100 86 2.3-3.0 3.0=73, 1223/1.8=17...(11) HB3 GLU 19 + HG3 GLU 19 OK 43 50 100 86 2.4-3.0 3.0=73, 1223/1.8=17...(11) HB3 GLU 25 - HG3 GLU 19 far 0 62 0 - 4.9-11.3 HB3 GLU 19 - HG2 GLU 25 far 0 90 0 - 5.0-11.7 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 6.3-11.3 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 - HG2 GLU 19 far 0 62 0 - 5.5-12.0 HG3 GLU 25 - HG3 GLU 19 far 0 62 0 - 6.0-12.3 HB2 PRO 14 - HG2 GLU 19 far 0 35 0 - 8.7-18.4 HB2 PRO 14 - HG3 GLU 19 far 0 35 0 - 8.7-18.2 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 6 assignments used, quality = 1.00: * H GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.5-4.1 524=100, 523/1.8=92...(11) H SER 22 + HG3 GLU 25 OK 73 97 85 89 2.1-7.3 1346/1.8=37, ~4153=35...(7) H ARG 27 - HG3 GLU 25 far 11 76 15 - 4.8-7.5 H ALA 28 - HG3 GLU 25 far 5 96 5 - 5.5-7.1 H ILE 89 - HG3 GLU 59 far 0 41 0 - 8.7-48.5 H ALA 77 - HG3 GLU 25 far 0 71 0 - 8.8-26.8 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 6 assignments used, quality = 1.00: * HA GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.2-3.9 1333=100, 1332/1.8=81...(21) HA ARG 26 - HG3 GLU 25 far 12 83 15 - 3.5-6.6 HA ALA 63 - HG3 GLU 59 far 0 43 0 - 6.2-8.9 HA ARG 27 - HG3 GLU 25 far 0 65 0 - 7.4-9.7 HA VAL 90 - HG3 GLU 59 far 0 68 0 - 7.7-52.2 HA ARG 71 - HG3 GLU 25 far 0 95 0 - 9.8-16.6 Violated in 1 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 2.89 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1338/1.8=33...(17) HB3 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1344/1.8=33...(17) HB3 GLU 19 - HG3 GLU 25 far 0 92 0 - 5.0-10.6 HB3 GLN 91 - HG3 GLU 59 far 0 68 0 - 5.1-57.2 HB2 GLU 87 - HG3 GLU 59 far 0 53 0 - 6.4-44.1 HB3 MET 31 - HG3 GLU 59 far 0 62 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 2.89 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1344/1.8=33...(17) HB2 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1338/1.8=33...(17) HB3 GLU 19 - HG3 GLU 25 far 0 90 0 - 5.0-10.6 HB3 GLN 91 - HG3 GLU 59 far 0 67 0 - 5.1-57.2 HB2 GLU 87 - HG3 GLU 59 far 0 51 0 - 6.4-44.1 HB3 MET 31 - HG3 GLU 59 far 0 64 0 - 8.9-14.4 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 HG2 GLU 19 - HG3 GLU 25 far 0 63 0 - 5.5-12.0 HG3 GLU 19 - HG3 GLU 25 far 0 63 0 - 6.0-12.3 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): 3 out of 7 assignments used, quality = 1.00: * H ARG 26 + HA ARG 26 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 26 + HA GLU 25 OK 79 79 100 100 3.4-3.6 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 poor 13 67 20 - 3.5-8.0 H ALA 78 - HA ARG 71 far 0 75 0 - 6.5-17.6 H ARG 26 - HA ARG 71 far 0 90 0 - 9.4-15.9 H ARG 71 - HA GLU 25 far 0 49 0 - 9.4-13.3 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 20 assignments used, quality = 1.00: * HB2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-3.0 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 2.4-2.6 3.0=100 HB2 ARG 71 + HA ARG 71 OK 53 53 100 100 2.3-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 far 0 45 0 - 4.5-5.6 HB3 ARG 27 - HA GLU 25 far 0 47 0 - 4.9-7.2 HB2 ARG 27 - HA ARG 26 far 0 65 0 - 5.5-6.0 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.6-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 5.8-6.6 HB3 ARG 27 - HA ARG 26 far 0 68 0 - 6.0-6.6 HB ILE 68 - HA GLU 25 far 0 64 0 - 6.6-9.2 HG12 ILE 40 - HA GLU 25 far 0 49 0 - 7.2-10.7 HB2 ARG 71 - HA GLU 25 far 0 45 0 - 7.3-11.6 HB ILE 68 - HA ARG 71 far 0 75 0 - 7.5-8.6 HB3 ARG 71 - HA GLU 25 far 0 47 0 - 7.7-12.4 HB2 LYS 39 - HA GLU 25 far 0 49 0 - 9.0-12.0 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 9.2-11.6 HB2 ARG 27 - HA ARG 71 far 0 53 0 - 9.4-12.9 HB3 ARG 71 - HA ARG 26 far 0 68 0 - 9.8-15.6 HB2 ARG 26 - HA ARG 71 far 0 90 0 - 9.9-16.6 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 22 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 2.4-3.0 3.0=100 HB3 ARG 71 + HA ARG 71 OK 53 53 100 100 2.4-2.6 3.0=100 HB2 ARG 71 + HA ARG 71 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 far 0 43 0 - 4.5-5.6 HB2 GLU 19 - HA GLU 25 far 0 40 0 - 4.8-11.9 HB3 ARG 27 - HA GLU 25 far 0 45 0 - 4.9-7.2 HB2 ARG 27 - HA ARG 26 far 0 63 0 - 5.5-6.0 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.6-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 5.8-6.6 HB3 ARG 27 - HA ARG 26 far 0 65 0 - 6.0-6.6 HB2 GLU 19 - HA ARG 26 far 0 60 0 - 6.1-14.3 HB ILE 68 - HA GLU 25 far 0 66 0 - 6.6-9.2 HG12 ILE 40 - HA GLU 25 far 0 51 0 - 7.2-10.7 HB2 ARG 71 - HA GLU 25 far 0 43 0 - 7.3-11.6 HB ILE 68 - HA ARG 71 far 0 77 0 - 7.5-8.6 HB3 ARG 71 - HA GLU 25 far 0 45 0 - 7.7-12.4 HB2 LYS 39 - HA GLU 25 far 0 47 0 - 9.0-12.0 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 9.2-11.6 HB2 ARG 27 - HA ARG 71 far 0 51 0 - 9.4-12.9 HB3 ARG 71 - HA ARG 26 far 0 65 0 - 9.8-15.6 HB2 ARG 26 - HA ARG 71 far 0 90 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (1.62, 4.07, 58.59 ppm; 3.52 A): 3 out of 15 assignments used, quality = 1.00: * HG2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.3-4.1 3.7=88, 529/3.0=42...(41) HG2 ARG 71 + HA ARG 71 OK 90 90 100 100 2.4-3.8 3.8=79, 3.0/2937=45...(47) HG3 ARG 70 + HA ARG 71 OK 47 86 60 90 3.2-6.6 2873/4.7=30, ~307=29...(16) HG3 ARG 27 - HA GLU 25 far 0 73 0 - 4.9-7.7 HG2 ARG 27 - HA GLU 25 far 0 74 0 - 5.1-7.8 HG2 ARG 27 - HA ARG 26 far 0 97 0 - 5.2-7.8 HG3 ARG 27 - HA ARG 26 far 0 97 0 - 5.3-7.2 HG2 ARG 26 - HA GLU 25 far 0 79 0 - 5.5-6.7 HD3 LYS 73 - HA ARG 71 far 0 84 0 - 7.4-10.3 HG2 ARG 71 - HA GLU 25 far 0 79 0 - 7.4-13.7 HG2 ARG 17 - HA ARG 26 far 0 100 0 - 7.5-19.4 HD2 LYS 73 - HA ARG 71 far 0 84 0 - 7.9-10.5 HG3 ARG 17 - HA ARG 26 far 0 100 0 - 8.2-19.8 HG2 ARG 71 - HA ARG 26 far 0 100 0 - 9.2-16.6 HG3 ARG 27 - HA ARG 71 far 0 84 0 - 9.3-14.1 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 11 assignments used, quality = 1.00: * HG3 ARG 26 + HA ARG 26 OK 99 100 100 99 2.4-3.7 3.7=99 HG3 ARG 71 + HA ARG 71 OK 90 90 100 100 2.6-4.2 3.8=89, 779/2.9=59...(54) HG3 ARG 26 - HA GLU 25 far 0 79 0 - 5.3-6.8 HB3 LYS 73 - HA ARG 71 far 0 49 0 - 6.1-7.5 HB ILE 33 - HA GLU 25 far 0 59 0 - 6.2-8.3 HG3 ARG 71 - HA GLU 25 far 0 78 0 - 7.1-13.1 HB ILE 33 - HA ARG 26 far 0 83 0 - 8.0-10.4 HB3 ARG 17 - HA ARG 26 far 0 100 0 - 8.2-17.7 HB3 ARG 17 - HA GLU 25 far 0 78 0 - 8.5-15.6 HG3 ARG 26 - HA ARG 71 far 0 90 0 - 9.8-18.4 HB2 LYS 32 - HA ARG 26 far 0 71 0 - 10.0-12.4 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 2.7-4.6 4.8=97, 3.0/1363=44...(57) * HD2 ARG 26 + HA ARG 26 OK 100 100 100 100 3.2-5.0 4.8=97, 3.0/1363=44...(57) HD3 ARG 71 + HA ARG 71 OK 56 56 100 100 2.6-5.2 4.7=100 HD3 ARG 27 - HA ARG 26 far 0 100 0 - 5.8-9.0 HD2 ARG 27 - HA ARG 26 far 0 100 0 - 5.8-8.1 HD2 ARG 27 - HA GLU 25 far 0 78 0 - 6.0-9.0 HD3 ARG 71 - HA GLU 25 far 0 47 0 - 6.2-14.5 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 6.6-8.3 HD3 ARG 23 - HA ARG 26 far 0 98 0 - 6.7-11.0 HD3 ARG 27 - HA GLU 25 far 0 78 0 - 6.9-8.9 HD2 ARG 23 - HA ARG 26 far 0 98 0 - 7.0-10.6 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 7.6-8.2 HD2 ARG 23 - HA ARG 71 far 0 86 0 - 7.7-16.0 HD3 ARG 23 - HA ARG 71 far 0 86 0 - 7.8-14.8 HD3 ARG 23 - HA GLU 25 far 0 75 0 - 7.9-11.0 HD2 ARG 23 - HA GLU 25 far 0 75 0 - 8.2-10.8 HD2 ARG 17 - HA ARG 26 far 0 93 0 - 9.3-21.5 HD3 ARG 17 - HA ARG 26 far 0 93 0 - 9.6-20.5 HD2 ARG 27 - HA ARG 71 far 0 89 0 - 9.6-15.0 HD2 ARG 17 - HA GLU 25 far 0 69 0 - 9.9-19.2 HD3 ARG 17 - HA GLU 25 far 0 69 0 - 9.9-17.9 HD3 ARG 71 - HA ARG 26 far 0 68 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 4 out of 23 assignments used, quality = 1.00: * HD3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.7-4.6 4.8=97, 3.0/1363=44...(57) HD2 ARG 26 + HA ARG 26 OK 100 100 100 100 3.2-5.0 4.8=97, 3.0/1363=44...(57) HD3 ARG 71 + HA ARG 71 OK 58 58 100 100 2.6-5.2 4.7=100 HD3 ARG 70 + HA ARG 71 OK 26 49 55 97 5.1-7.2 ~307=40, 3.0/5395=30...(20) HD3 ARG 27 - HA ARG 26 far 0 99 0 - 5.8-9.0 HD2 ARG 27 - HA ARG 26 far 0 99 0 - 5.8-8.1 HD2 ARG 27 - HA GLU 25 far 0 77 0 - 6.0-9.0 HD3 ARG 71 - HA GLU 25 far 0 49 0 - 6.2-14.5 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 6.6-8.3 HD3 ARG 23 - HA ARG 26 far 0 97 0 - 6.7-11.0 HD3 ARG 27 - HA GLU 25 far 0 77 0 - 6.9-8.9 HD2 ARG 23 - HA ARG 26 far 0 97 0 - 7.0-10.6 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 7.6-8.2 HD2 ARG 23 - HA ARG 71 far 0 85 0 - 7.7-16.0 HD3 ARG 23 - HA ARG 71 far 0 85 0 - 7.8-14.8 HD3 ARG 23 - HA GLU 25 far 0 74 0 - 7.9-11.0 HD2 ARG 23 - HA GLU 25 far 0 74 0 - 8.2-10.8 HD2 ARG 17 - HA ARG 26 far 0 92 0 - 9.3-21.5 HD3 ARG 17 - HA ARG 26 far 0 92 0 - 9.6-20.5 HD2 ARG 27 - HA ARG 71 far 0 88 0 - 9.6-15.0 HD2 ARG 17 - HA GLU 25 far 0 67 0 - 9.9-19.2 HD3 ARG 17 - HA GLU 25 far 0 67 0 - 9.9-17.9 HD3 ARG 71 - HA ARG 26 far 0 71 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 5 out of 18 assignments used, quality = 1.00: * H ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.3-3.6 3.9=72, 530/3.0=44...(24) H ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.4-3.6 3.9=72, 530/3.0=44...(20) H THR 88 + HB3 GLU 87 OK 38 46 95 86 2.7-4.6 402/3.0=57, 4.6=43...(6) H ARG 71 + HB3 ARG 71 OK 30 31 100 97 2.5-3.6 4.0=68, 779/2.8=40...(15) H ARG 71 + HB2 ARG 71 OK 29 30 100 97 2.3-3.6 4.0=68, 779/2.8=40...(16) H ARG 26 - HB2 ARG 27 far 0 54 0 - 4.5-5.2 H ASN 74 - HB2 ARG 71 far 0 35 0 - 5.4-9.5 H ASN 74 - HB3 ARG 71 far 0 37 0 - 5.5-9.7 H ARG 26 - HB3 ARG 27 far 0 56 0 - 5.5-6.3 H LYS 85 - HB3 GLU 87 far 0 25 0 - 5.6-10.4 H ALA 78 - HB2 ARG 71 far 0 40 0 - 6.1-20.1 H ALA 78 - HB3 ARG 71 far 0 42 0 - 6.6-20.0 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.8-8.9 H ARG 26 - HB3 ARG 71 far 0 54 0 - 7.0-13.6 H ARG 26 - HB2 ARG 71 far 0 51 0 - 7.5-13.0 H ARG 71 - HB2 ARG 27 far 0 32 0 - 9.2-11.7 H ALA 78 - HB2 ARG 66 far 0 87 0 - 9.2-21.0 H ARG 71 - HB3 ARG 27 far 0 33 0 - 9.3-12.3 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 23 assignments used, quality = 1.00: * HA ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.4-3.0 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 2.4-2.6 3.0=100 HA ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.3-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 98 0 - 4.4-5.3 HA GLU 25 - HB2 ARG 27 far 0 38 0 - 4.5-5.6 HA GLU 25 - HB3 ARG 27 far 0 40 0 - 4.9-7.2 HA ARG 26 - HB2 ARG 27 far 0 54 0 - 5.5-6.0 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.6-6.6 HA ALA 63 - HB3 GLU 87 far 0 44 0 - 5.7-42.9 HA GLU 59 - HB3 GLU 87 far 0 28 0 - 5.7-45.0 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 5.8-6.6 HA ARG 26 - HB3 ARG 27 far 0 56 0 - 6.0-6.6 HA GLU 25 - HB2 ARG 71 far 0 36 0 - 7.3-11.6 HA GLU 25 - HB3 ARG 71 far 0 38 0 - 7.7-12.4 HA VAL 90 - HB3 GLU 87 far 0 44 0 - 7.9-11.8 HA ALA 63 - HB3 ARG 27 far 0 54 0 - 8.8-11.0 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 8.9-10.5 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 9.2-11.6 HA ARG 71 - HB2 ARG 27 far 0 52 0 - 9.4-12.9 HA ARG 26 - HB3 ARG 71 far 0 54 0 - 9.8-15.6 HA ARG 71 - HB2 ARG 26 far 0 99 0 - 9.9-16.6 HA ALA 63 - HB2 ARG 27 far 0 52 0 - 9.9-12.0 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 44 assignments used, quality = 1.00: * HG2 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 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 2.2-3.0 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 HG3 ARG 27 - HB2 ARG 26 poor 19 97 20 - 3.3-6.8 HG2 ARG 27 - HB2 ARG 26 poor 11 97 45 26 3.1-6.8 64/4.6=11, 3.8/5344=10...(5) HG3 ARG 70 - HB3 ARG 71 poor 10 50 20 - 3.1-8.4 HG2 ARG 27 - HB3 ARG 26 far 5 97 5 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 66 far 5 97 5 - 4.1-10.0 HG3 ARG 70 - HB2 ARG 71 far 2 48 5 - 3.9-7.4 HG3 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.7-7.2 HG LEU 86 - HB3 GLU 87 far 0 29 0 - 4.7-8.5 HB2 LEU 86 - HB3 GLU 87 far 0 44 0 - 4.9-7.7 HG2 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 54 0 - 6.2-11.3 HG2 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.7-8.4 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 56 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 46 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 48 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 100 0 - 7.4-11.2 HD3 LYS 73 - HB2 ARG 71 far 0 46 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 47 0 - 7.8-11.4 HG3 ARG 84 - HB2 ARG 66 far 0 62 0 - 7.8-31.7 HG2 ARG 84 - HB3 GLU 87 far 0 23 0 - 8.0-14.2 HG2 ARG 27 - HB3 ARG 71 far 0 49 0 - 8.0-11.7 HD2 LYS 73 - HB2 ARG 71 far 0 46 0 - 8.4-11.5 HG2 ARG 84 - HB2 ARG 66 far 0 62 0 - 8.5-30.1 HG2 ARG 26 - HB3 ARG 71 far 0 54 0 - 8.5-15.6 HG3 ARG 84 - HB3 GLU 87 far 0 23 0 - 8.6-14.2 HG2 ARG 71 - HB3 ARG 26 far 0 100 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 51 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 51 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 96 0 - 9.5-13.7 HB3 LEU 51 - HB2 ARG 66 far 0 77 0 - 9.9-12.3 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 27 assignments used, quality = 1.00: * HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.7-3.0 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 2.2-3.0 2.8=100 HG3 ARG 26 - HB2 ARG 27 far 3 54 5 - 3.7-7.3 HG3 ARG 26 - HB3 ARG 27 far 0 56 0 - 4.9-8.0 HB3 LYS 85 - HB3 GLU 87 far 0 25 0 - 5.8-10.0 HG3 ARG 71 - HB2 ARG 27 far 0 54 0 - 5.9-10.8 HB2 ARG 84 - HB2 ARG 66 far 0 77 0 - 6.1-31.5 HG3 ARG 71 - HB3 ARG 27 far 0 56 0 - 6.3-11.4 HB2 ARG 84 - HB3 GLU 87 far 0 30 0 - 6.4-13.1 HB2 LEU 62 - HB3 GLU 87 far 0 46 0 - 6.4-44.9 HB ILE 33 - HB2 ARG 27 far 0 38 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 40 0 - 6.9-8.9 HB2 LEU 62 - HB2 ARG 66 far 0 100 0 - 7.4-8.8 HB3 LYS 73 - HB2 ARG 71 far 0 24 0 - 7.5-9.2 HG3 ARG 26 - HB3 ARG 71 far 0 54 0 - 7.8-16.0 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.9-10.0 HB3 LYS 73 - HB3 ARG 71 far 0 26 0 - 8.2-8.9 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 8.3-18.8 HG3 ARG 71 - HB2 ARG 26 far 0 100 0 - 8.7-14.2 HG3 ARG 26 - HB2 ARG 71 far 0 51 0 - 8.8-15.5 HB3 ARG 82 - HB3 GLU 87 far 0 36 0 - 9.0-19.6 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.1-19.4 HB3 LYS 73 - HB2 ARG 66 far 0 59 0 - 9.2-13.2 HB2 LYS 32 - HB3 ARG 27 far 0 33 0 - 9.3-10.8 HB ILE 33 - HB3 ARG 26 far 0 83 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 12 out of 50 assignments used, quality = 1.00: * HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-4.0 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.0-4.1 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.1 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.5 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 93 93 100 99 2.0-3.6 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 90 91 100 99 2.0-3.7 3.4=92, ~2701=21...(20) HD3 ARG 27 + HB3 ARG 27 OK 55 55 100 99 2.1-4.1 3.5=85, 5382/4.1=13...(62) HD2 ARG 27 + HB3 ARG 27 OK 55 55 100 99 2.1-4.2 3.5=85, 5382/4.1=14...(62) HD2 ARG 27 + HB2 ARG 27 OK 53 53 100 99 2.2-4.1 3.5=85, 5382/4.1=14...(62) HD3 ARG 27 + HB2 ARG 27 OK 53 53 100 99 2.3-4.2 3.5=85, 5382/4.1=13...(62) HD3 ARG 71 + HB3 ARG 71 OK 29 30 100 99 2.5-4.2 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 28 28 100 99 2.3-4.2 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 poor 20 100 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 10 98 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 5 100 5 - 4.0-8.7 HD2 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 100 0 - 4.6-8.0 HD2 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 51 0 - 5.3-10.7 HD3 ARG 71 - HB2 ARG 27 far 0 30 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 51 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 56 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 64 0 - 5.6-32.2 HD3 ARG 66 - HB3 GLU 87 far 0 40 0 - 5.7-41.9 HD3 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 5.9-13.5 HD2 ARG 66 - HB3 GLU 87 far 0 38 0 - 6.1-40.4 HD3 ARG 71 - HB3 ARG 27 far 0 32 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.5-9.8 HD2 ARG 84 - HB3 GLU 87 far 0 24 0 - 6.7-14.9 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 69 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 53 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 48 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 53 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 7.3-12.6 HD2 ARG 82 - HB3 GLU 87 far 0 25 0 - 7.5-21.1 HD3 ARG 23 - HB2 ARG 71 far 0 48 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 7.8-15.7 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 7.9-15.9 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 8.6-12.4 HD3 ARG 17 - HB2 ARG 26 far 0 93 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 42 0 - 9.3-13.5 HD3 ARG 71 - HB3 ARG 26 far 0 68 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 67 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 12 out of 54 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-4.0 3.5=91, 532/3.9=13...(58) * HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.0-4.1 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.1 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.5 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 94 95 100 99 2.0-3.6 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 91 92 100 99 2.0-3.7 3.4=92, ~2701=21...(20) HD3 ARG 27 + HB3 ARG 27 OK 54 55 100 99 2.1-4.1 3.5=85, 5382/4.1=13...(62) HD2 ARG 27 + HB3 ARG 27 OK 54 55 100 99 2.1-4.2 3.5=85, 5382/4.1=14...(62) HD2 ARG 27 + HB2 ARG 27 OK 52 52 100 99 2.2-4.1 3.5=85, 5382/4.1=14...(62) HD3 ARG 27 + HB2 ARG 27 OK 52 52 100 99 2.3-4.2 3.5=85, 5382/4.1=13...(62) HD3 ARG 71 + HB3 ARG 71 OK 31 31 100 99 2.5-4.2 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 29 30 100 99 2.3-4.2 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 poor 20 99 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 10 97 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 5 99 5 - 4.0-8.7 HD3 ARG 70 - HB3 ARG 71 far 0 26 0 - 4.3-9.0 HD2 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 99 0 - 4.6-8.0 HD3 ARG 70 - HB2 ARG 66 far 0 59 0 - 4.9-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 50 0 - 5.3-10.7 HD3 ARG 71 - HB2 ARG 27 far 0 32 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 50 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 56 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 62 0 - 5.6-32.2 HD3 ARG 66 - HB3 GLU 87 far 0 41 0 - 5.7-41.9 HD3 ARG 70 - HB2 ARG 71 far 0 24 0 - 5.7-8.5 HD3 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 49 0 - 5.9-13.5 HD2 ARG 66 - HB3 GLU 87 far 0 39 0 - 6.1-40.4 HD3 ARG 71 - HB3 ARG 27 far 0 33 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.5-9.8 HD2 ARG 84 - HB3 GLU 87 far 0 23 0 - 6.7-14.9 HD3 ARG 23 - HB3 ARG 71 far 0 49 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 67 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 52 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 47 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 52 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 7.3-12.6 HD2 ARG 82 - HB3 GLU 87 far 0 24 0 - 7.5-21.1 HD3 ARG 23 - HB2 ARG 71 far 0 47 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 7.8-15.7 HD3 ARG 84 - HB3 GLU 87 far 0 25 0 - 7.9-15.9 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 8.6-12.4 HD3 ARG 17 - HB2 ARG 26 far 0 92 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 43 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 26 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 71 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 5 out of 20 assignments used, quality = 1.00: H ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.3-3.6 3.9=72, 530/3.0=44...(24) * H ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.4-3.6 3.9=72, 530/3.0=44...(20) H THR 88 + HB3 GLU 87 OK 40 48 95 86 2.7-4.6 402/3.0=57, 4.6=43...(6) H ARG 71 + HB3 ARG 71 OK 29 30 100 97 2.5-3.6 4.0=68, 779/2.8=40...(14) H ARG 71 + HB2 ARG 71 OK 27 28 100 97 2.3-3.6 4.0=68, 779/2.8=40...(15) H ARG 26 - HB2 ARG 27 far 0 52 0 - 4.5-5.2 H ASN 74 - HB2 ARG 71 far 0 33 0 - 5.4-9.5 H ASN 74 - HB3 ARG 71 far 0 35 0 - 5.5-9.7 H ARG 26 - HB3 ARG 27 far 0 54 0 - 5.5-6.3 H LYS 85 - HB3 GLU 87 far 0 27 0 - 5.6-10.4 H ALA 78 - HB2 ARG 71 far 0 38 0 - 6.1-20.1 H ALA 78 - HB2 GLU 19 far 0 47 0 - 6.6-34.5 H ALA 78 - HB3 ARG 71 far 0 40 0 - 6.6-20.0 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.8-8.9 H ARG 26 - HB3 ARG 71 far 0 51 0 - 7.0-13.6 H ARG 26 - HB2 GLU 19 far 0 59 0 - 7.4-12.9 H ARG 26 - HB2 ARG 71 far 0 49 0 - 7.5-13.0 H ARG 71 - HB2 ARG 27 far 0 30 0 - 9.2-11.7 H ALA 78 - HB2 ARG 66 far 0 87 0 - 9.2-21.0 H ARG 71 - HB3 ARG 27 far 0 32 0 - 9.3-12.3 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 25 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 2.4-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 49 49 100 100 2.4-2.6 3.0=100 HA ARG 71 + HB2 ARG 71 OK 47 47 100 100 2.3-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 98 0 - 4.4-5.3 HA GLU 25 - HB2 ARG 27 far 0 37 0 - 4.5-5.6 HA GLU 25 - HB2 GLU 19 far 0 42 0 - 4.8-11.9 HA GLU 25 - HB3 ARG 27 far 0 38 0 - 4.9-7.2 HA ARG 26 - HB2 ARG 27 far 0 52 0 - 5.5-6.0 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.6-6.6 HA ALA 63 - HB3 GLU 87 far 0 46 0 - 5.7-42.9 HA GLU 59 - HB3 GLU 87 far 0 29 0 - 5.7-45.0 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 5.8-6.6 HA ARG 26 - HB3 ARG 27 far 0 54 0 - 6.0-6.6 HA ARG 26 - HB2 GLU 19 far 0 59 0 - 6.1-14.3 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 7.3-11.6 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 7.7-12.4 HA VAL 90 - HB3 GLU 87 far 0 46 0 - 7.9-11.8 HA ALA 63 - HB3 ARG 27 far 0 52 0 - 8.8-11.0 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 8.9-10.5 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 9.2-11.6 HA ARG 71 - HB2 ARG 27 far 0 50 0 - 9.4-12.9 HA ARG 26 - HB3 ARG 71 far 0 51 0 - 9.8-15.6 HA ARG 71 - HB2 ARG 26 far 0 99 0 - 9.9-16.6 HA ALA 63 - HB2 ARG 27 far 0 50 0 - 9.9-12.0 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 48 assignments used, quality = 1.00: * HG2 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 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 2.2-3.0 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 HG3 ARG 27 - HB2 ARG 26 poor 19 97 20 - 3.3-6.8 HG2 ARG 27 - HB2 ARG 26 poor 11 97 45 26 3.1-6.8 64/4.6=11, 3.8/5344=10...(5) HG3 ARG 70 - HB3 ARG 71 poor 10 48 20 - 3.1-8.4 HG2 ARG 27 - HB3 ARG 26 far 5 97 5 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 66 far 5 97 5 - 4.1-10.0 HG3 ARG 70 - HB2 ARG 71 far 2 46 5 - 3.9-7.4 HG3 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.7-7.2 HG LEU 86 - HB3 GLU 87 far 0 30 0 - 4.7-8.5 HB2 LEU 86 - HB3 GLU 87 far 0 46 0 - 4.9-7.7 HG2 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.4-7.7 HG3 ARG 17 - HB2 GLU 19 far 0 59 0 - 5.5-11.4 HG2 ARG 17 - HB2 GLU 19 far 0 59 0 - 5.6-11.0 HG2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.2-11.3 HG2 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.7-8.4 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 6.9-15.3 HG2 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.0-14.8 HG2 ARG 71 - HB3 ARG 27 far 0 54 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 46 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.4-11.2 HD3 LYS 73 - HB2 ARG 71 far 0 44 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.8-11.4 HG3 ARG 84 - HB2 ARG 66 far 0 61 0 - 7.8-31.7 HG2 ARG 84 - HB3 GLU 87 far 0 24 0 - 8.0-14.2 HG2 ARG 27 - HB3 ARG 71 far 0 47 0 - 8.0-11.7 HD2 LYS 73 - HB2 ARG 71 far 0 44 0 - 8.4-11.5 HG2 ARG 84 - HB2 ARG 66 far 0 61 0 - 8.5-30.1 HG2 ARG 26 - HB3 ARG 71 far 0 51 0 - 8.5-15.6 HG3 ARG 84 - HB3 GLU 87 far 0 24 0 - 8.6-14.2 HG2 ARG 71 - HB3 ARG 26 far 0 100 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 46 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 46 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 49 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 48 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 95 0 - 9.5-13.7 HD2 LYS 32 - HB2 GLU 19 far 0 54 0 - 9.7-23.8 HB3 LEU 51 - HB2 ARG 66 far 0 76 0 - 9.9-12.3 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 31 assignments used, quality = 1.00: HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-2.9 3.0=100 * HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.7-3.0 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 2.2-3.0 2.8=100 HG3 ARG 26 - HB2 ARG 27 far 3 52 5 - 3.7-7.3 HB3 ARG 17 - HB2 GLU 19 far 0 58 0 - 4.3-10.2 HG3 ARG 26 - HB3 ARG 27 far 0 54 0 - 4.9-8.0 HB3 LYS 85 - HB3 GLU 87 far 0 27 0 - 5.8-10.0 HG3 ARG 71 - HB2 ARG 27 far 0 51 0 - 5.9-10.8 HB2 ARG 84 - HB2 ARG 66 far 0 76 0 - 6.1-31.5 HG3 ARG 71 - HB3 ARG 27 far 0 54 0 - 6.3-11.4 HB2 ARG 84 - HB3 GLU 87 far 0 32 0 - 6.4-13.1 HB2 LEU 62 - HB3 GLU 87 far 0 48 0 - 6.4-44.9 HB ILE 33 - HB2 GLU 19 far 0 42 0 - 6.8-18.9 HB ILE 33 - HB2 ARG 27 far 0 37 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 38 0 - 6.9-8.9 HB2 LEU 62 - HB2 ARG 66 far 0 99 0 - 7.4-8.8 HB3 LYS 73 - HB2 ARG 71 far 0 23 0 - 7.5-9.2 HG3 ARG 26 - HB3 ARG 71 far 0 51 0 - 7.8-16.0 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.9-10.0 HB3 LYS 73 - HB3 ARG 71 far 0 24 0 - 8.2-8.9 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 8.3-18.8 HG3 ARG 71 - HB2 ARG 26 far 0 100 0 - 8.7-14.2 HG3 ARG 26 - HB2 GLU 19 far 0 59 0 - 8.7-14.2 HG3 ARG 26 - HB2 ARG 71 far 0 49 0 - 8.8-15.5 HB3 ARG 82 - HB3 GLU 87 far 0 38 0 - 9.0-19.6 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.1-19.4 HB3 LYS 73 - HB2 ARG 66 far 0 58 0 - 9.2-13.2 HB2 LYS 32 - HB3 ARG 27 far 0 32 0 - 9.3-10.8 HB ILE 33 - HB3 ARG 26 far 0 83 0 - 9.8-12.0 HB3 LYS 32 - HB2 GLU 19 far 0 35 0 - 9.9-22.8 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 12 out of 54 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-4.0 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.0-4.1 3.5=91, 532/3.9=13...(58) * HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.1 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.5 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 92 93 100 99 2.0-3.6 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 89 90 100 99 2.0-3.7 3.4=92, ~2701=21...(20) HD3 ARG 27 + HB3 ARG 27 OK 53 53 100 99 2.1-4.1 3.5=85, 5382/4.1=13...(62) HD2 ARG 27 + HB3 ARG 27 OK 53 53 100 99 2.1-4.2 3.5=85, 5382/4.1=14...(62) HD2 ARG 27 + HB2 ARG 27 OK 50 51 100 99 2.2-4.1 3.5=85, 5382/4.1=14...(62) HD3 ARG 27 + HB2 ARG 27 OK 50 51 100 99 2.3-4.2 3.5=85, 5382/4.1=13...(62) HD3 ARG 71 + HB3 ARG 71 OK 28 28 100 99 2.5-4.2 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 27 27 100 99 2.3-4.2 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 poor 20 100 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 10 98 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 5 100 5 - 4.0-8.7 HD2 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 100 0 - 4.6-8.0 HD3 ARG 17 - HB2 GLU 19 far 0 50 0 - 4.7-12.5 HD2 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.0-10.0 HD2 ARG 17 - HB2 GLU 19 far 0 50 0 - 5.0-12.2 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.3-10.7 HD3 ARG 71 - HB2 ARG 27 far 0 29 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 54 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 64 0 - 5.6-32.2 HD3 ARG 66 - HB3 GLU 87 far 0 42 0 - 5.7-41.9 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 48 0 - 5.9-13.5 HD2 ARG 66 - HB3 GLU 87 far 0 40 0 - 6.1-40.4 HD3 ARG 71 - HB3 ARG 27 far 0 30 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.5-9.8 HD2 ARG 84 - HB3 GLU 87 far 0 25 0 - 6.7-14.9 HD3 ARG 23 - HB3 ARG 71 far 0 48 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 69 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 51 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 46 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 51 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 7.3-12.6 HD2 ARG 82 - HB3 GLU 87 far 0 27 0 - 7.5-21.1 HD3 ARG 23 - HB2 ARG 71 far 0 46 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 7.8-15.7 HD3 ARG 84 - HB3 GLU 87 far 0 28 0 - 7.9-15.9 HD3 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.9-16.3 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 8.6-12.4 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 9.2-16.6 HD3 ARG 17 - HB2 ARG 26 far 0 93 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 40 0 - 9.3-13.5 HD3 ARG 71 - HB3 ARG 26 far 0 68 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 66 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 12 out of 58 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-4.0 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.0-4.1 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.1 3.5=91, 532/3.9=13...(58) * HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.5 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 93 94 100 99 2.0-3.6 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 91 92 100 99 2.0-3.7 3.4=92, ~2701=21...(20) HD3 ARG 27 + HB3 ARG 27 OK 52 52 100 99 2.1-4.1 3.5=85, 5382/4.1=13...(62) HD2 ARG 27 + HB3 ARG 27 OK 52 52 100 99 2.1-4.2 3.5=85, 5382/4.1=14...(62) HD2 ARG 27 + HB2 ARG 27 OK 50 50 100 99 2.2-4.1 3.5=85, 5382/4.1=14...(62) HD3 ARG 27 + HB2 ARG 27 OK 50 50 100 99 2.3-4.2 3.5=85, 5382/4.1=13...(62) HD3 ARG 71 + HB3 ARG 71 OK 29 30 100 99 2.5-4.2 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 28 28 100 99 2.3-4.2 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 poor 20 99 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 10 97 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 5 99 5 - 4.0-8.7 HD3 ARG 70 - HB3 ARG 71 far 0 24 0 - 4.3-9.0 HD2 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 99 0 - 4.6-8.0 HD3 ARG 17 - HB2 GLU 19 far 0 49 0 - 4.7-12.5 HD3 ARG 70 - HB2 ARG 66 far 0 58 0 - 4.9-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.0-10.0 HD2 ARG 17 - HB2 GLU 19 far 0 49 0 - 5.0-12.2 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.3-10.7 HD3 ARG 71 - HB2 ARG 27 far 0 30 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 54 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 61 0 - 5.6-32.2 HD3 ARG 66 - HB3 GLU 87 far 0 43 0 - 5.7-41.9 HD3 ARG 70 - HB2 ARG 71 far 0 23 0 - 5.7-8.5 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 47 0 - 5.9-13.5 HD2 ARG 66 - HB3 GLU 87 far 0 41 0 - 6.1-40.4 HD3 ARG 71 - HB3 ARG 27 far 0 32 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.5-9.8 HD2 ARG 84 - HB3 GLU 87 far 0 24 0 - 6.7-14.9 HD3 ARG 23 - HB3 ARG 71 far 0 47 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 66 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 50 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 45 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 50 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 7.3-12.6 HD2 ARG 82 - HB3 GLU 87 far 0 25 0 - 7.5-21.1 HD3 ARG 23 - HB2 ARG 71 far 0 45 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 7.8-15.7 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 7.9-15.9 HD3 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.9-16.3 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 8.6-12.4 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 9.2-16.6 HD3 ARG 17 - HB2 ARG 26 far 0 92 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 41 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 25 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 71 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (8.13, 1.62, 27.49 ppm; 4.48 A): 5 out of 13 assignments used, quality = 1.00: * H ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.4-3.4 529=87, 1390/1.8=85...(23) H ARG 71 + HG3 ARG 70 OK 34 34 100 100 2.1-4.9 5.0=72, 3.6/2845=65...(16) H ARG 26 + HG2 ARG 27 OK 33 89 50 75 4.0-7.3 5380/5.0=54, 5341/3.8=19...(7) H LYS 85 + HG2 ARG 84 OK 20 30 90 74 3.5-5.5 377/3.9=39, 378/3.0=25...(6) H LYS 85 + HG3 ARG 84 OK 20 30 90 74 3.4-5.8 377/3.9=39, 378/3.0=25...(6) H ARG 26 - HG3 ARG 27 poor 16 88 25 74 3.9-7.2 5380/5.0=54, 5341/3.8=19...(6) H ALA 78 - HG3 ARG 70 far 2 46 5 - 4.5-17.1 H ASN 74 - HG3 ARG 70 far 2 40 5 - 5.3-11.1 H ALA 78 - HG3 ARG 17 far 0 47 0 - 7.9-38.6 H ALA 78 - HG2 ARG 17 far 0 47 0 - 8.5-40.3 H ARG 71 - HG3 ARG 27 far 0 56 0 - 9.0-12.5 H ARG 71 - HG2 ARG 27 far 0 57 0 - 9.3-13.2 H ARG 26 - HG2 ARG 17 far 0 60 0 - 9.6-18.0 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (4.07, 1.62, 27.49 ppm; 3.84 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-4.1 3.7=100 HA ARG 71 + HG3 ARG 70 OK 32 56 60 94 3.2-6.6 4.7/2845=36, ~307=35...(16) HA GLU 25 - HG3 ARG 27 far 0 67 0 - 4.9-7.7 HA GLU 25 - HG2 ARG 27 far 0 68 0 - 5.1-7.8 HA ARG 26 - HG2 ARG 27 far 0 89 0 - 5.2-7.8 HA ARG 26 - HG3 ARG 27 far 0 88 0 - 5.3-7.2 HA GLU 25 - HG2 ARG 26 far 0 83 0 - 5.5-6.7 HA ARG 26 - HG2 ARG 17 far 0 60 0 - 7.5-19.4 HA ALA 63 - HG3 ARG 70 far 0 56 0 - 7.9-13.0 HA ARG 26 - HG3 ARG 17 far 0 60 0 - 8.2-19.8 HA ALA 63 - HG2 ARG 27 far 0 87 0 - 9.3-13.4 HA ARG 71 - HG3 ARG 27 far 0 86 0 - 9.3-14.1 HA ALA 63 - HG3 ARG 27 far 0 86 0 - 9.7-13.1 HA ALA 63 - HG3 ARG 84 far 0 52 0 - 9.9-34.6 HA ALA 63 - HG2 ARG 84 far 0 52 0 - 10.0-32.9 Violated in 1 structures by 0.01 A. Peak 1384 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.15 A): 6 out of 41 assignments used, quality = 1.00: * HB2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 55 55 100 100 2.2-3.0 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 - HG3 ARG 27 poor 18 88 20 - 3.3-6.8 HB2 ARG 26 - HG2 ARG 27 poor 7 89 35 24 3.1-6.8 4.6/64=10, 5344/3.8=9...(4) HB3 ARG 71 - HG3 ARG 70 poor 7 33 20 - 3.1-8.4 HB3 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 2 31 5 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 58 0 - 4.1-10.0 HB3 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.7-7.2 HB2 ARG 27 - HG2 ARG 26 far 0 65 0 - 5.4-7.7 HB3 PRO 14 - HG2 ARG 17 far 0 57 0 - 5.4-14.0 HB ILE 68 - HG3 ARG 70 far 0 46 0 - 6.3-9.6 HB ILE 68 - HG3 ARG 27 far 0 73 0 - 6.7-10.0 HB3 ARG 27 - HG2 ARG 26 far 0 68 0 - 6.7-8.4 HB3 PRO 14 - HG3 ARG 17 far 0 57 0 - 6.9-13.1 HB2 ARG 71 - HG3 ARG 27 far 0 52 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 54 0 - 7.2-11.9 HB ILE 68 - HG2 ARG 27 far 0 74 0 - 7.4-10.8 HB2 ARG 71 - HG2 ARG 27 far 0 53 0 - 7.8-11.4 HB2 ARG 66 - HG3 ARG 84 far 0 54 0 - 7.8-31.7 HB3 GLU 87 - HG2 ARG 84 far 0 28 0 - 8.0-14.2 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 55 0 - 8.0-11.7 HB2 LYS 39 - HG3 ARG 17 far 0 35 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 58 0 - 8.3-28.2 HB2 ARG 66 - HG2 ARG 84 far 0 54 0 - 8.5-30.1 HB3 ARG 71 - HG2 ARG 26 far 0 68 0 - 8.5-15.6 HB3 GLU 87 - HG3 ARG 84 far 0 28 0 - 8.6-14.2 HG12 ILE 40 - HG2 ARG 27 far 0 57 0 - 8.7-13.8 HB3 ARG 26 - HG2 ARG 17 far 0 59 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 35 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 65 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 31 0 - 9.4-15.1 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.5-21.1 HG12 ILE 40 - HG3 ARG 27 far 0 56 0 - 9.6-13.2 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 9.8-24.5 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 44 assignments used, quality = 1.00: * HB3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 53 53 100 100 2.2-3.0 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 - HG3 ARG 27 poor 18 88 20 - 3.3-6.8 HB2 ARG 26 - HG2 ARG 27 poor 7 89 35 24 3.1-6.8 4.6/64=10, 5344/3.8=9...(4) HB3 ARG 71 - HG3 ARG 70 poor 6 31 20 - 3.1-8.4 HB3 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 1 30 5 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 57 0 - 4.1-10.0 HB3 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.7-7.2 HB2 ARG 27 - HG2 ARG 26 far 0 63 0 - 5.4-7.7 HB3 PRO 14 - HG2 ARG 17 far 0 58 0 - 5.4-14.0 HB2 GLU 19 - HG3 ARG 17 far 0 29 0 - 5.5-11.4 HB2 GLU 19 - HG2 ARG 17 far 0 29 0 - 5.6-11.0 HB ILE 68 - HG3 ARG 70 far 0 47 0 - 6.3-9.6 HB ILE 68 - HG3 ARG 27 far 0 75 0 - 6.7-10.0 HB3 ARG 27 - HG2 ARG 26 far 0 65 0 - 6.7-8.4 HB3 PRO 14 - HG3 ARG 17 far 0 58 0 - 6.9-13.1 HB2 GLU 19 - HG2 ARG 26 far 0 60 0 - 7.0-14.8 HB2 ARG 71 - HG3 ARG 27 far 0 49 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 52 0 - 7.2-11.9 HB ILE 68 - HG2 ARG 27 far 0 76 0 - 7.4-10.8 HB2 ARG 71 - HG2 ARG 27 far 0 50 0 - 7.8-11.4 HB2 ARG 66 - HG3 ARG 84 far 0 53 0 - 7.8-31.7 HB3 GLU 87 - HG2 ARG 84 far 0 29 0 - 8.0-14.2 HB3 PRO 34 - HG2 ARG 17 far 0 57 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 53 0 - 8.0-11.7 HB2 LYS 39 - HG3 ARG 17 far 0 34 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 57 0 - 8.3-28.2 HB2 ARG 66 - HG2 ARG 84 far 0 53 0 - 8.5-30.1 HB3 ARG 71 - HG2 ARG 26 far 0 65 0 - 8.5-15.6 HB3 GLU 87 - HG3 ARG 84 far 0 29 0 - 8.6-14.2 HG12 ILE 40 - HG2 ARG 27 far 0 59 0 - 8.7-13.8 HB3 ARG 26 - HG2 ARG 17 far 0 60 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 33 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 59 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 63 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 30 0 - 9.4-15.1 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.5-21.1 HG12 ILE 40 - HG3 ARG 27 far 0 58 0 - 9.6-13.2 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 9.8-24.5 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 + HG3 ARG 17 OK 57 59 100 97 2.3-3.0 2.9=78, 1167/1.8=22...(33) HB3 ARG 17 + HG2 ARG 17 OK 57 58 100 97 2.3-3.0 2.9=78, 1167/1.8=22...(33) HB2 ARG 84 + HG3 ARG 84 OK 35 36 100 96 2.3-3.0 3.0=77, 3380/1.8=17...(31) HB2 ARG 84 + HG2 ARG 84 OK 35 36 100 96 2.4-3.0 3.0=77, 3379/1.8=17...(31) HG3 ARG 71 - HG3 ARG 70 far 6 58 10 - 2.4-7.6 HG3 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.0-9.0 HG3 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.2-8.7 HB3 ARG 82 - HG3 ARG 84 far 0 43 0 - 4.4-9.6 HB3 LYS 85 - HG3 ARG 84 far 0 30 0 - 4.7-8.0 HB3 LYS 73 - HG3 ARG 70 far 0 28 0 - 5.2-8.5 HB3 ARG 82 - HG2 ARG 84 far 0 43 0 - 5.2-9.8 HB3 LYS 85 - HG2 ARG 84 far 0 30 0 - 5.4-7.6 HG3 ARG 71 - HG3 ARG 27 far 0 88 0 - 6.1-11.2 HG3 ARG 71 - HG2 ARG 27 far 0 89 0 - 6.5-12.1 HB3 LYS 32 - HG2 ARG 17 far 0 35 0 - 6.6-27.9 HB ILE 33 - HG3 ARG 17 far 0 43 0 - 7.3-23.4 HB ILE 33 - HG2 ARG 17 far 0 43 0 - 7.5-23.7 HB3 LYS 32 - HG3 ARG 17 far 0 35 0 - 7.8-27.8 HB ILE 33 - HG3 ARG 27 far 0 67 0 - 7.8-10.8 HG3 ARG 26 - HG2 ARG 17 far 0 60 0 - 7.9-18.4 HB ILE 33 - HG2 ARG 27 far 0 68 0 - 8.1-10.9 HB2 LYS 32 - HG2 ARG 17 far 0 35 0 - 8.3-28.0 HB2 LYS 32 - HG3 ARG 17 far 0 35 0 - 8.6-28.0 HG3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.0-18.4 HB2 LYS 32 - HG3 ARG 27 far 0 56 0 - 9.5-12.8 HB2 LYS 32 - HG2 ARG 27 far 0 57 0 - 9.8-12.6 HG2 PRO 34 - HG2 ARG 17 far 0 54 0 - 9.8-29.8 HG2 PRO 34 - HG3 ARG 17 far 0 54 0 - 9.9-29.3 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 44 assignments used, quality = 1.00: * HD2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 88 88 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 29 29 100 100 2.4-3.0 2.9=100 HD2 ARG 82 - HG2 ARG 84 poor 6 30 20 - 3.1-10.4 HD2 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.0-10.6 HD3 ARG 26 - HG2 ARG 27 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HG3 ARG 70 far 2 33 5 - 3.4-8.5 HD2 ARG 82 - HG3 ARG 84 far 2 30 5 - 3.5-10.8 HD2 ARG 23 - HG2 ARG 26 far 0 98 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.6-10.3 HD3 ARG 71 - HG3 ARG 27 far 0 54 0 - 5.0-12.5 HD3 ARG 23 - HG3 ARG 27 far 0 84 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 84 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 85 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 88 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 98 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 85 0 - 5.6-11.9 HD3 ARG 27 - HG2 ARG 26 far 0 100 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 51 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 45 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 45 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 100 0 - 6.5-9.5 HD3 ARG 71 - HG2 ARG 27 far 0 55 0 - 6.5-12.2 HD2 ARG 66 - HG3 ARG 70 far 0 48 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 47 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 47 0 - 7.8-33.1 HD2 ARG 26 - HG2 ARG 17 far 0 60 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 59 0 - 8.2-19.7 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.1-20.4 HD3 ARG 71 - HG2 ARG 26 far 0 68 0 - 9.2-16.8 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 57 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 55 0 - 9.5-18.3 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 47 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 2.3-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 50 50 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 28 28 100 100 2.3-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 28 28 100 100 2.4-3.0 2.9=100 HD2 ARG 82 - HG2 ARG 84 poor 6 29 20 - 3.1-10.4 HD2 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.0-10.6 HD3 ARG 26 - HG2 ARG 27 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HG3 ARG 70 far 2 34 5 - 3.4-8.5 HD2 ARG 82 - HG3 ARG 84 far 1 29 5 - 3.5-10.8 HD2 ARG 23 - HG2 ARG 26 far 0 97 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.6-10.3 HD3 ARG 71 - HG3 ARG 27 far 0 56 0 - 5.0-12.5 HD3 ARG 23 - HG3 ARG 27 far 0 83 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 83 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 84 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 88 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 97 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 84 0 - 5.6-11.9 HD3 ARG 27 - HG2 ARG 26 far 0 99 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 52 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 46 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 46 0 - 6.4-34.9 HD2 ARG 27 - HG2 ARG 26 far 0 99 0 - 6.5-9.5 HD3 ARG 71 - HG2 ARG 27 far 0 57 0 - 6.5-12.2 HD2 ARG 66 - HG3 ARG 70 far 0 50 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 48 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 48 0 - 7.8-33.1 HD2 ARG 26 - HG2 ARG 17 far 0 59 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 60 0 - 8.2-19.7 HD3 ARG 70 - HG3 ARG 27 far 0 47 0 - 8.7-16.4 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.1-20.4 HD3 ARG 71 - HG2 ARG 26 far 0 71 0 - 9.2-16.8 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.3-20.9 HD3 ARG 70 - HG2 ARG 27 far 0 48 0 - 9.4-17.4 HD2 ARG 27 - HG3 ARG 70 far 0 57 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 54 0 - 9.5-18.3 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 2.0-3.5 530=81, 529/1.8=72...(20) 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 3 assignments used, quality = 1.00: * HA ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.4-3.7 3.7=100 HA GLU 25 - HG3 ARG 26 far 0 83 0 - 5.3-6.8 HA ARG 71 - HG3 ARG 26 far 0 99 0 - 9.8-18.4 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 6 assignments used, quality = 1.00: * HB2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 ARG 27 - HG3 ARG 26 far 3 65 5 - 3.7-7.3 HB3 ARG 27 - HG3 ARG 26 far 0 68 0 - 4.9-8.0 HB3 ARG 71 - HG3 ARG 26 far 0 68 0 - 7.8-16.0 HB2 ARG 71 - HG3 ARG 26 far 0 65 0 - 8.8-15.5 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 7 assignments used, quality = 1.00: HB2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-2.9 3.0=100 * HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 ARG 27 - HG3 ARG 26 far 3 63 5 - 3.7-7.3 HB3 ARG 27 - HG3 ARG 26 far 0 65 0 - 4.9-8.0 HB3 ARG 71 - HG3 ARG 26 far 0 65 0 - 7.8-16.0 HB2 GLU 19 - HG3 ARG 26 far 0 60 0 - 8.7-14.2 HB2 ARG 71 - HG3 ARG 26 far 0 63 0 - 8.8-15.5 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 6 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 5 97 5 - 3.0-9.0 HG3 ARG 27 - HG3 ARG 26 far 0 97 0 - 4.2-8.7 HG2 ARG 71 - HG3 ARG 26 far 0 100 0 - 7.6-17.4 HG2 ARG 17 - HG3 ARG 26 far 0 100 0 - 7.9-18.4 HG3 ARG 17 - HG3 ARG 26 far 0 100 0 - 9.0-18.4 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 HD2 ARG 23 - HG3 ARG 26 far 5 98 5 - 3.6-9.6 HD3 ARG 23 - HG3 ARG 26 far 5 98 5 - 4.2-9.5 HD3 ARG 27 - HG3 ARG 26 far 0 100 0 - 5.1-9.8 HD2 ARG 27 - HG3 ARG 26 far 0 100 0 - 5.8-9.1 HD3 ARG 71 - HG3 ARG 26 far 0 68 0 - 8.3-17.7 HD3 ARG 17 - HG3 ARG 26 far 0 93 0 - 10.0-19.0 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 HD2 ARG 23 - HG3 ARG 26 far 5 97 5 - 3.6-9.6 HD3 ARG 23 - HG3 ARG 26 far 5 97 5 - 4.2-9.5 HD3 ARG 27 - HG3 ARG 26 far 0 99 0 - 5.1-9.8 HD2 ARG 27 - HG3 ARG 26 far 0 99 0 - 5.8-9.1 HD3 ARG 71 - HG3 ARG 26 far 0 71 0 - 8.3-17.7 HD3 ARG 17 - HG3 ARG 26 far 0 92 0 - 10.0-19.0 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 31 assignments used, quality = 1.00: HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.7-4.6 4.8=100 * HA ARG 26 + HD2 ARG 26 OK 100 100 100 100 3.2-5.0 4.8=100 HA ARG 71 + HD3 ARG 71 OK 66 66 100 100 2.6-5.2 4.7=100 HA ALA 63 + HD3 ARG 66 OK 52 52 100 100 2.4-5.6 4684/3.4=73, 5370/3.0=69...(11) HA ALA 63 + HD2 ARG 66 OK 47 50 95 100 2.7-5.8 4684/3.4=73, 5370/3.0=69...(11) HA ARG 26 - HD3 ARG 27 far 0 100 0 - 5.8-9.0 HA ARG 26 - HD2 ARG 27 far 0 100 0 - 5.8-8.1 HA GLU 25 - HD2 ARG 27 far 0 81 0 - 6.0-9.0 HA GLU 25 - HD3 ARG 71 far 0 50 0 - 6.2-14.5 HA GLU 59 - HD3 ARG 66 far 0 33 0 - 6.4-9.8 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 6.6-8.3 HA GLU 59 - HD2 ARG 66 far 0 31 0 - 6.6-9.8 HA ARG 26 - HD3 ARG 23 far 0 98 0 - 6.7-11.0 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.9-8.9 HA ARG 26 - HD2 ARG 23 far 0 98 0 - 7.0-10.6 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 7.6-8.2 HA ARG 71 - HD2 ARG 23 far 0 96 0 - 7.7-16.0 HA ARG 71 - HD3 ARG 23 far 0 96 0 - 7.8-14.8 HA GLU 25 - HD3 ARG 23 far 0 78 0 - 7.9-11.0 HA ALA 63 - HD2 ARG 84 far 0 63 0 - 7.9-34.0 HA GLU 25 - HD2 ARG 23 far 0 78 0 - 8.2-10.8 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 8.4-13.9 HA ALA 63 - HD3 ARG 84 far 0 68 0 - 8.5-34.1 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 8.6-12.6 HA ARG 26 - HD2 ARG 17 far 0 93 0 - 9.3-21.5 HA ARG 26 - HD3 ARG 17 far 0 93 0 - 9.6-20.5 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 9.6-15.0 HA GLU 59 - HD3 ARG 84 far 0 45 0 - 9.6-39.6 HA GLU 25 - HD2 ARG 17 far 0 72 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 72 0 - 9.9-17.9 HA ARG 26 - HD3 ARG 71 far 0 68 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 11 out of 62 assignments used, quality = 1.00: HB3 ARG 26 + HD3 ARG 26 OK 94 100 100 94 2.0-3.5 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD2 ARG 26 OK 89 100 95 94 2.1-4.1 3.5=63, 3.9/532=10...(53) HB2 ARG 26 + HD3 ARG 26 OK 70 100 75 94 2.0-4.1 3.5=63, 3.9/532=10...(54) * HB2 ARG 26 + HD2 ARG 26 OK 70 100 75 94 2.7-4.0 3.5=63, 3.9/532=10...(53) HB3 ARG 27 + HD3 ARG 27 OK 60 67 95 95 2.1-4.1 3.5=59, 4.1/5382=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 58 64 95 95 2.2-4.1 3.5=59, 4.1/5382=11...(58) HB3 ARG 27 + HD2 ARG 27 OK 51 67 80 95 2.1-4.2 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD3 ARG 66 OK 49 54 100 92 2.0-3.6 3.4=63, ~2701=15...(18) HB2 ARG 27 + HD3 ARG 27 OK 49 64 80 95 2.3-4.2 3.5=59, 4.1/5382=9...(58) HB2 ARG 66 + HD2 ARG 66 OK 47 51 100 92 2.0-3.7 3.4=63, ~2701=15...(18) HB3 ARG 71 + HD3 ARG 71 OK 31 39 85 93 2.5-4.2 3.5=59, ~2937=19...(42) HB2 ARG 71 - HD3 ARG 71 poor 19 37 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 5 100 5 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 4.0-8.7 HB2 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.6-8.0 HB ILE 68 - HD3 ARG 71 far 0 54 0 - 4.8-9.5 HB3 PRO 14 - HD3 ARG 17 far 0 91 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 91 0 - 5.3-14.0 HB2 ARG 27 - HD3 ARG 71 far 0 37 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 65 0 - 5.6-32.2 HB3 GLU 87 - HD3 ARG 66 far 0 27 0 - 5.7-41.9 HB2 ARG 27 - HD3 ARG 26 far 0 65 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 64 0 - 5.9-13.5 HB3 GLU 87 - HD2 ARG 66 far 0 26 0 - 6.1-40.4 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 6.6-11.6 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 6.7-14.9 HB3 ARG 71 - HD3 ARG 23 far 0 64 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 70 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 64 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 67 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 41 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 64 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 61 0 - 7.3-22.4 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 7.4-12.1 HB3 GLU 87 - HD2 ARG 82 far 0 33 0 - 7.5-21.1 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.8-15.7 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 7.9-15.9 HB ILE 68 - HD2 ARG 66 far 0 41 0 - 8.1-9.6 HB2 LYS 39 - HD2 ARG 17 far 0 61 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 67 0 - 8.3-12.1 HB ILE 68 - HD3 ARG 66 far 0 43 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 8.6-12.4 HB2 ARG 26 - HD3 ARG 17 far 0 93 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 9.3-13.5 HB3 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 92 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 92 0 - 9.9-30.1 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 11 out of 66 assignments used, quality = 1.00: HB3 ARG 26 + HD3 ARG 26 OK 94 100 100 94 2.0-3.5 3.5=63, 3.9/532=10...(54) * HB3 ARG 26 + HD2 ARG 26 OK 89 100 95 94 2.1-4.1 3.5=63, 3.9/532=10...(53) HB2 ARG 26 + HD3 ARG 26 OK 70 100 75 93 2.0-4.1 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 70 100 75 93 2.7-4.0 3.5=63, 3.9/532=10...(53) HB3 ARG 27 + HD3 ARG 27 OK 58 64 95 95 2.1-4.1 3.5=59, 4.1/5382=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 55 62 95 95 2.2-4.1 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD3 ARG 66 OK 49 53 100 92 2.0-3.6 3.4=63, ~2701=15...(18) HB3 ARG 27 + HD2 ARG 27 OK 49 64 80 95 2.1-4.2 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD2 ARG 66 OK 47 51 100 92 2.0-3.7 3.4=63, ~2701=15...(18) HB2 ARG 27 + HD3 ARG 27 OK 47 62 80 95 2.3-4.2 3.5=59, 4.1/5382=9...(58) HB3 ARG 71 + HD3 ARG 71 OK 29 37 85 93 2.5-4.2 3.5=59, ~2937=19...(42) HB2 ARG 71 - HD3 ARG 71 poor 18 36 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 5 100 5 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 4.0-8.7 HB2 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.6-8.0 HB2 GLU 19 - HD3 ARG 17 far 0 51 0 - 4.7-12.5 HB ILE 68 - HD3 ARG 71 far 0 56 0 - 4.8-9.5 HB3 PRO 14 - HD3 ARG 17 far 0 92 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 63 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.0-10.0 HB2 GLU 19 - HD2 ARG 17 far 0 51 0 - 5.0-12.2 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 59 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 92 0 - 5.3-14.0 HB2 ARG 27 - HD3 ARG 71 far 0 36 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 59 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 64 0 - 5.6-32.2 HB3 GLU 87 - HD3 ARG 66 far 0 29 0 - 5.7-41.9 HB2 ARG 27 - HD3 ARG 26 far 0 63 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 5.9-13.5 HB3 GLU 87 - HD2 ARG 66 far 0 27 0 - 6.1-40.4 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 6.6-11.6 HB3 GLU 87 - HD2 ARG 84 far 0 36 0 - 6.7-14.9 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 70 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 59 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 62 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 59 0 - 7.3-22.4 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 7.4-12.1 HB3 GLU 87 - HD2 ARG 82 far 0 35 0 - 7.5-21.1 HB2 ARG 71 - HD3 ARG 23 far 0 59 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.8-15.7 HB3 GLU 87 - HD3 ARG 84 far 0 39 0 - 7.9-15.9 HB2 GLU 19 - HD3 ARG 26 far 0 60 0 - 7.9-16.3 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 8.1-9.6 HB2 LYS 39 - HD2 ARG 17 far 0 59 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 8.3-12.1 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 62 0 - 8.6-12.4 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 9.2-16.6 HB2 ARG 26 - HD3 ARG 17 far 0 93 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.5 HB3 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 91 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 91 0 - 9.9-30.1 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 69 assignments used, quality = 1.00: * HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG2 ARG 27 + HD2 ARG 27 OK 93 96 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) HG2 ARG 27 + HD3 ARG 27 OK 93 96 100 97 2.2-3.0 3.0=91, 5.0/5382=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 92 96 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) HG3 ARG 27 + HD3 ARG 27 OK 92 96 100 97 2.5-3.0 3.0=91, 5.0/5382=7...(49) HG3 ARG 17 + HD3 ARG 17 OK 90 93 100 97 2.4-3.0 3.0=89, 2.9/1161=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 90 93 100 97 2.3-3.0 3.0=89, 2.9/1161=13...(36) HG3 ARG 17 + HD2 ARG 17 OK 90 93 100 96 2.3-3.0 3.0=89, 2.9/1160=13...(32) HG2 ARG 17 + HD2 ARG 17 OK 90 93 100 96 2.4-3.0 3.0=89, 2.9/1160=13...(32) HG2 ARG 71 + HD3 ARG 71 OK 64 68 100 95 2.3-3.0 3.0=88, 2900/4.7=10...(33) HG2 ARG 84 + HD3 ARG 84 OK 37 37 100 99 2.3-3.0 2.9=97, 3394/3.5=12...(20) HG3 ARG 84 + HD3 ARG 84 OK 37 37 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(20) HG3 ARG 84 + HD2 ARG 84 OK 34 34 100 99 2.3-3.0 2.9=97, 3394/3.5=12...(20) HG2 ARG 84 + HD2 ARG 84 OK 34 34 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(20) HG2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.0-10.6 HG2 ARG 84 - HD2 ARG 82 far 3 33 10 - 3.1-10.4 HG3 ARG 70 - HD3 ARG 71 far 3 64 5 - 3.4-8.5 HG LEU 86 - HD3 ARG 84 far 2 46 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 2 33 5 - 3.5-10.8 HG LEU 86 - HD2 ARG 84 far 0 42 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 97 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 97 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 71 far 0 62 0 - 5.0-12.5 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 94 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 97 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 94 0 - 5.6-11.9 HG2 ARG 26 - HD3 ARG 27 far 0 100 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 51 0 - 6.3-12.3 HG2 ARG 84 - HD2 ARG 66 far 0 26 0 - 6.3-33.1 HD2 LYS 32 - HD2 ARG 17 far 0 87 0 - 6.4-30.8 HG3 ARG 84 - HD2 ARG 66 far 0 26 0 - 6.4-34.9 HG2 ARG 26 - HD2 ARG 27 far 0 100 0 - 6.5-9.5 HG2 ARG 27 - HD3 ARG 71 far 0 63 0 - 6.5-12.2 HB2 LEU 86 - HD2 ARG 66 far 0 50 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 98 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 89 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 48 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 87 0 - 7.6-29.9 HG3 ARG 84 - HD3 ARG 66 far 0 27 0 - 7.8-33.5 HG2 ARG 84 - HD3 ARG 66 far 0 27 0 - 7.8-33.1 HB2 LEU 86 - HD3 ARG 66 far 0 52 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 89 0 - 8.0-28.5 HG LEU 86 - HD2 ARG 66 far 0 33 0 - 8.0-41.9 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 52 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 34 0 - 8.6-14.1 HG LEU 86 - HD3 ARG 66 far 0 35 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 36 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 42 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-20.4 HG2 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.2-16.8 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.3-20.9 HD3 LYS 73 - HD3 ARG 71 far 0 62 0 - 9.4-13.7 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 95 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 100 0 - 9.7-19.0 HD2 LYS 73 - HD3 ARG 71 far 0 62 0 - 9.8-14.0 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 47 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 HB3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.5-4.0 3.6=63, 1.8/1160=21...(35) HB3 ARG 17 + HD2 ARG 17 OK 89 92 100 96 2.1-3.9 3.6=63, 1.8/1161=21...(35) HG3 ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HD2 ARG 84 OK 40 44 95 95 2.2-4.1 3.5=67, ~3418=20...(23) HB2 ARG 84 + HD3 ARG 84 OK 34 48 75 95 2.2-4.2 3.5=67, ~3410=20...(23) HB3 ARG 82 + HD2 ARG 82 OK 33 51 75 87 2.2-4.1 3.6=59, 5479/3.0=45...(7) HG3 ARG 26 - HD2 ARG 23 far 5 98 5 - 3.6-9.6 HG3 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 66 far 0 34 0 - 4.4-34.2 HB2 ARG 84 - HD2 ARG 82 far 0 43 0 - 4.5-11.2 HB2 LEU 62 - HD3 ARG 66 far 0 54 0 - 4.8-8.3 HG3 ARG 26 - HD3 ARG 27 far 0 100 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 37 0 - 5.1-14.6 HB2 LEU 62 - HD2 ARG 66 far 0 52 0 - 5.1-8.2 HB3 LYS 85 - HD2 ARG 84 far 0 37 0 - 5.5-9.2 HB2 ARG 84 - HD3 ARG 66 far 0 36 0 - 5.5-34.5 HB3 ARG 82 - HD3 ARG 84 far 0 57 0 - 5.6-10.8 HB3 LYS 85 - HD3 ARG 84 far 0 41 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-12.2 HB3 LYS 32 - HD3 ARG 17 far 0 61 0 - 6.4-28.8 HB3 ARG 82 - HD2 ARG 84 far 0 52 0 - 6.5-10.1 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-14.4 HB3 LYS 32 - HD2 ARG 17 far 0 61 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 61 0 - 7.9-28.9 HG3 ARG 71 - HD2 ARG 66 far 0 51 0 - 8.0-12.7 HB2 LEU 57 - HD3 ARG 66 far 0 41 0 - 8.2-11.9 HG3 ARG 26 - HD3 ARG 71 far 0 68 0 - 8.3-17.7 HB2 LEU 62 - HD3 ARG 84 far 0 71 0 - 8.3-38.9 HB ILE 33 - HD2 ARG 17 far 0 72 0 - 8.4-25.3 HB2 LEU 57 - HD2 ARG 66 far 0 39 0 - 8.4-11.8 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.5-12.3 HB ILE 33 - HD3 ARG 17 far 0 72 0 - 8.6-24.0 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 8.6-11.9 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 8.7-12.4 HB2 LEU 62 - HD2 ARG 84 far 0 65 0 - 8.8-38.7 HB3 LYS 73 - HD3 ARG 71 far 0 34 0 - 9.3-10.7 HB2 LYS 32 - HD2 ARG 17 far 0 61 0 - 9.3-30.0 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.5-20.0 HB2 LYS 32 - HD3 ARG 27 far 0 70 0 - 9.8-13.0 HG3 ARG 26 - HD3 ARG 17 far 0 93 0 - 10.0-19.0 HB ILE 33 - HD3 ARG 71 far 0 50 0 - 10.0-17.0 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 33 assignments used, quality = 1.00: * HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.7-4.6 4.8=100 HA ARG 26 + HD2 ARG 26 OK 100 100 100 100 3.2-5.0 4.8=100 HA ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.6-5.2 4.7=100 HA ALA 63 + HD3 ARG 66 OK 53 53 100 100 2.4-5.6 4684/3.4=73, 5370/3.0=69...(11) HA ALA 63 + HD2 ARG 66 OK 48 51 95 100 2.7-5.8 4684/3.4=73, 5370/3.0=69...(11) HA ARG 71 - HD3 ARG 70 poor 15 28 55 - 5.1-7.2 HA ARG 26 - HD3 ARG 27 far 0 99 0 - 5.8-9.0 HA ARG 26 - HD2 ARG 27 far 0 99 0 - 5.8-8.1 HA GLU 25 - HD2 ARG 27 far 0 81 0 - 6.0-9.0 HA GLU 25 - HD3 ARG 71 far 0 52 0 - 6.2-14.5 HA GLU 59 - HD3 ARG 66 far 0 34 0 - 6.4-9.8 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 6.6-8.3 HA GLU 59 - HD2 ARG 66 far 0 32 0 - 6.6-9.8 HA ARG 26 - HD3 ARG 23 far 0 97 0 - 6.7-11.0 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.9-8.9 HA ARG 26 - HD2 ARG 23 far 0 97 0 - 7.0-10.6 HA ALA 63 - HD3 ARG 70 far 0 28 0 - 7.4-13.4 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 7.6-8.2 HA ARG 71 - HD2 ARG 23 far 0 95 0 - 7.7-16.0 HA ARG 71 - HD3 ARG 23 far 0 95 0 - 7.8-14.8 HA GLU 25 - HD3 ARG 23 far 0 77 0 - 7.9-11.0 HA ALA 63 - HD2 ARG 84 far 0 60 0 - 7.9-34.0 HA GLU 25 - HD2 ARG 23 far 0 77 0 - 8.2-10.8 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 8.4-13.9 HA ALA 63 - HD3 ARG 84 far 0 66 0 - 8.5-34.1 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 8.6-12.6 HA ARG 26 - HD2 ARG 17 far 0 92 0 - 9.3-21.5 HA ARG 26 - HD3 ARG 17 far 0 92 0 - 9.6-20.5 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 9.6-15.0 HA GLU 59 - HD3 ARG 84 far 0 43 0 - 9.6-39.6 HA GLU 25 - HD2 ARG 17 far 0 71 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 71 0 - 9.9-17.9 HA ARG 26 - HD3 ARG 71 far 0 71 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 11 out of 64 assignments used, quality = 1.00: HB3 ARG 26 + HD3 ARG 26 OK 94 100 100 94 2.0-3.5 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD2 ARG 26 OK 89 100 95 94 2.1-4.1 3.5=63, 3.9/532=10...(53) * HB2 ARG 26 + HD3 ARG 26 OK 70 100 75 94 2.0-4.1 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 70 100 75 93 2.7-4.0 3.5=63, 3.9/532=10...(53) HB3 ARG 27 + HD3 ARG 27 OK 60 66 95 95 2.1-4.1 3.5=59, 4.1/5382=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 57 64 95 95 2.2-4.1 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD3 ARG 66 OK 50 55 100 92 2.0-3.6 3.4=63, ~2701=15...(18) HB3 ARG 27 + HD2 ARG 27 OK 50 66 80 95 2.1-4.2 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD2 ARG 66 OK 48 52 100 92 2.0-3.7 3.4=63, ~2701=15...(18) HB2 ARG 27 + HD3 ARG 27 OK 48 64 80 95 2.3-4.2 3.5=59, 4.1/5382=9...(58) HB3 ARG 71 + HD3 ARG 71 OK 32 41 85 93 2.5-4.2 3.5=59, ~2937=19...(42) HB2 ARG 71 - HD3 ARG 71 poor 20 39 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 5 99 5 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 4.0-8.7 HB2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.6-8.0 HB ILE 68 - HD3 ARG 71 far 0 57 0 - 4.8-9.5 HB2 ARG 66 - HD3 ARG 70 far 0 29 0 - 4.9-9.7 HB3 PRO 14 - HD3 ARG 17 far 0 89 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 89 0 - 5.3-14.0 HB2 ARG 27 - HD3 ARG 71 far 0 39 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 62 0 - 5.6-32.2 HB3 GLU 87 - HD3 ARG 66 far 0 28 0 - 5.7-41.9 HB2 ARG 27 - HD3 ARG 26 far 0 65 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 63 0 - 5.9-13.5 HB3 GLU 87 - HD2 ARG 66 far 0 27 0 - 6.1-40.4 HB3 ARG 27 - HD3 ARG 71 far 0 41 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 6.6-11.6 HB3 GLU 87 - HD2 ARG 84 far 0 32 0 - 6.7-14.9 HB3 ARG 71 - HD3 ARG 23 far 0 63 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 67 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 63 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 66 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 63 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 60 0 - 7.3-22.4 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 7.4-12.1 HB3 GLU 87 - HD2 ARG 82 far 0 32 0 - 7.5-21.1 HB ILE 68 - HD3 ARG 70 far 0 22 0 - 7.7-10.7 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 7.8-15.7 HB3 GLU 87 - HD3 ARG 84 far 0 36 0 - 7.9-15.9 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 8.1-9.6 HB2 LYS 39 - HD2 ARG 17 far 0 60 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 66 0 - 8.3-12.1 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 8.6-12.4 HB2 ARG 26 - HD3 ARG 17 far 0 92 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 28 0 - 9.3-13.5 HB3 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 90 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 90 0 - 9.9-30.1 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 11 out of 68 assignments used, quality = 1.00: * HB3 ARG 26 + HD3 ARG 26 OK 94 100 100 94 2.0-3.5 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD2 ARG 26 OK 89 100 95 94 2.1-4.1 3.5=63, 3.9/532=10...(53) HB2 ARG 26 + HD3 ARG 26 OK 70 100 75 93 2.0-4.1 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 70 100 75 93 2.7-4.0 3.5=63, 3.9/532=10...(53) HB3 ARG 27 + HD3 ARG 27 OK 57 64 95 95 2.1-4.1 3.5=59, 4.1/5382=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 55 61 95 95 2.2-4.1 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD3 ARG 66 OK 50 54 100 92 2.0-3.6 3.4=63, ~2701=15...(18) HB3 ARG 27 + HD2 ARG 27 OK 48 64 80 95 2.1-4.2 3.5=59, 4.1/5382=11...(58) HB2 ARG 66 + HD2 ARG 66 OK 48 52 100 92 2.0-3.7 3.4=63, ~2701=15...(18) HB2 ARG 27 + HD3 ARG 27 OK 46 61 80 95 2.3-4.2 3.5=59, 4.1/5382=9...(58) HB3 ARG 71 + HD3 ARG 71 OK 31 39 85 93 2.5-4.2 3.5=59, ~2937=19...(42) HB2 ARG 71 - HD3 ARG 71 poor 19 37 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 5 99 5 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 4.0-8.7 HB2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.6-8.0 HB2 GLU 19 - HD3 ARG 17 far 0 50 0 - 4.7-12.5 HB ILE 68 - HD3 ARG 71 far 0 58 0 - 4.8-9.5 HB2 ARG 66 - HD3 ARG 70 far 0 28 0 - 4.9-9.7 HB3 PRO 14 - HD3 ARG 17 far 0 90 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 63 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.0-10.0 HB2 GLU 19 - HD2 ARG 17 far 0 50 0 - 5.0-12.2 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 58 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 90 0 - 5.3-14.0 HB2 ARG 27 - HD3 ARG 71 far 0 37 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 58 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 62 0 - 5.6-32.2 HB3 GLU 87 - HD3 ARG 66 far 0 29 0 - 5.7-41.9 HB2 ARG 27 - HD3 ARG 26 far 0 63 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 5.9-13.5 HB3 GLU 87 - HD2 ARG 66 far 0 28 0 - 6.1-40.4 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 6.6-11.6 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 6.7-14.9 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 67 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 58 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 45 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 61 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 57 0 - 7.3-22.4 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 7.4-12.1 HB3 GLU 87 - HD2 ARG 82 far 0 33 0 - 7.5-21.1 HB ILE 68 - HD3 ARG 70 far 0 23 0 - 7.7-10.7 HB2 ARG 71 - HD3 ARG 23 far 0 58 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 7.8-15.7 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 7.9-15.9 HB2 GLU 19 - HD3 ARG 26 far 0 60 0 - 7.9-16.3 HB ILE 68 - HD2 ARG 66 far 0 43 0 - 8.1-9.6 HB2 LYS 39 - HD2 ARG 17 far 0 57 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 8.3-12.1 HB ILE 68 - HD3 ARG 66 far 0 45 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 61 0 - 8.6-12.4 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 9.2-16.6 HB2 ARG 26 - HD3 ARG 17 far 0 92 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 9.3-13.5 HB3 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 89 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 89 0 - 9.9-30.1 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 75 assignments used, quality = 1.00: HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) * HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG2 ARG 27 + HD2 ARG 27 OK 93 96 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) HG2 ARG 27 + HD3 ARG 27 OK 93 96 100 97 2.2-3.0 3.0=91, 5.0/5382=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 92 95 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) HG3 ARG 27 + HD3 ARG 27 OK 92 95 100 97 2.5-3.0 3.0=91, 5.0/5382=7...(49) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.4-3.0 3.0=89, 2.9/1161=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=13...(36) HG3 ARG 17 + HD2 ARG 17 OK 88 92 100 96 2.3-3.0 3.0=89, 2.9/1160=13...(32) HG2 ARG 17 + HD2 ARG 17 OK 88 91 100 96 2.4-3.0 3.0=89, 2.9/1160=13...(32) HG2 ARG 71 + HD3 ARG 71 OK 67 71 100 95 2.3-3.0 3.0=88, 2900/4.7=10...(33) HG2 ARG 84 + HD3 ARG 84 OK 35 36 100 99 2.3-3.0 2.9=97, 3394/3.5=12...(20) HG3 ARG 84 + HD3 ARG 84 OK 35 36 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(20) HG3 ARG 84 + HD2 ARG 84 OK 32 32 100 99 2.3-3.0 2.9=97, 3394/3.5=12...(20) HG2 ARG 84 + HD2 ARG 84 OK 32 32 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(20) HG3 ARG 70 + HD3 ARG 70 OK 25 27 100 94 2.3-3.0 3.0=92, 2873/5.3=14...(8) HG2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.0-10.6 HG3 ARG 70 - HD3 ARG 71 far 3 67 5 - 3.4-8.5 HG2 ARG 84 - HD2 ARG 82 far 3 32 10 - 3.1-10.4 HG LEU 86 - HD3 ARG 84 far 2 44 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 2 32 5 - 3.5-10.8 HG2 ARG 71 - HD3 ARG 70 far 1 29 5 - 3.7-8.1 HG LEU 86 - HD2 ARG 84 far 0 40 0 - 3.8-11.9 HG2 ARG 27 - HD3 ARG 26 far 0 97 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 97 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 71 far 0 65 0 - 5.0-12.5 HD2 LYS 73 - HD3 ARG 70 far 0 26 0 - 5.1-12.6 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 97 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.6-11.9 HG2 ARG 26 - HD3 ARG 27 far 0 99 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 60 0 - 6.0-11.1 HD3 LYS 73 - HD3 ARG 70 far 0 26 0 - 6.2-12.8 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 6.3-12.3 HG2 ARG 84 - HD2 ARG 66 far 0 27 0 - 6.3-33.1 HD2 LYS 32 - HD2 ARG 17 far 0 86 0 - 6.4-30.8 HG3 ARG 84 - HD2 ARG 66 far 0 27 0 - 6.4-34.9 HG2 ARG 26 - HD2 ARG 27 far 0 99 0 - 6.5-9.5 HG2 ARG 27 - HD3 ARG 71 far 0 66 0 - 6.5-12.2 HB2 LEU 86 - HD2 ARG 66 far 0 51 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 97 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 88 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 50 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 97 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 86 0 - 7.6-29.9 HG3 ARG 84 - HD3 ARG 66 far 0 28 0 - 7.8-33.5 HG2 ARG 84 - HD3 ARG 66 far 0 28 0 - 7.8-33.1 HB2 LEU 86 - HD3 ARG 66 far 0 53 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 88 0 - 8.0-28.5 HG LEU 86 - HD2 ARG 66 far 0 34 0 - 8.0-41.9 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 53 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 35 0 - 8.6-14.1 HG3 ARG 27 - HD3 ARG 70 far 0 26 0 - 8.7-16.4 HG LEU 86 - HD3 ARG 66 far 0 35 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 37 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 55 0 - 8.8-13.7 HG LEU 86 - HD2 ARG 82 far 0 40 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-20.4 HG2 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.2-16.8 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.3-20.9 HG2 ARG 27 - HD3 ARG 70 far 0 27 0 - 9.4-17.4 HD3 LYS 73 - HD3 ARG 71 far 0 65 0 - 9.4-13.7 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 94 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 100 0 - 9.7-19.0 HD2 LYS 73 - HD3 ARG 71 far 0 65 0 - 9.8-14.0 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 48 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 HB3 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.5-4.0 3.6=63, 1.8/1160=20...(35) HB3 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.1-3.9 3.6=63, 1.8/1161=20...(35) HG3 ARG 71 + HD3 ARG 71 OK 70 70 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HD2 ARG 84 OK 38 42 95 95 2.2-4.1 3.5=67, ~3418=20...(23) HB2 ARG 84 + HD3 ARG 84 OK 33 46 75 95 2.2-4.2 3.5=67, ~3410=20...(23) HB3 ARG 82 + HD2 ARG 82 OK 32 49 75 87 2.2-4.1 3.6=59, 5479/3.0=45...(7) HG3 ARG 26 - HD2 ARG 23 far 5 97 5 - 3.6-9.6 HG3 ARG 71 - HD3 ARG 70 far 3 29 10 - 3.6-8.7 HG3 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 66 far 0 35 0 - 4.4-34.2 HB2 ARG 84 - HD2 ARG 82 far 0 41 0 - 4.5-11.2 HB2 LEU 62 - HD3 ARG 66 far 0 55 0 - 4.8-8.3 HG3 ARG 26 - HD3 ARG 27 far 0 99 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 35 0 - 5.1-14.6 HB2 LEU 62 - HD2 ARG 66 far 0 53 0 - 5.1-8.2 HB3 LYS 85 - HD2 ARG 84 far 0 36 0 - 5.5-9.2 HB2 ARG 84 - HD3 ARG 66 far 0 37 0 - 5.5-34.5 HB3 ARG 82 - HD3 ARG 84 far 0 54 0 - 5.6-10.8 HB3 LYS 85 - HD3 ARG 84 far 0 39 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-12.2 HB3 LYS 32 - HD3 ARG 17 far 0 60 0 - 6.4-28.8 HB3 ARG 82 - HD2 ARG 84 far 0 50 0 - 6.5-10.1 HG3 ARG 71 - HD2 ARG 23 far 0 97 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 97 0 - 7.1-14.4 HB3 LYS 32 - HD2 ARG 17 far 0 60 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 60 0 - 7.9-28.9 HG3 ARG 71 - HD2 ARG 66 far 0 53 0 - 8.0-12.7 HB2 LEU 57 - HD3 ARG 66 far 0 42 0 - 8.2-11.9 HG3 ARG 26 - HD3 ARG 71 far 0 71 0 - 8.3-17.7 HB2 LEU 62 - HD3 ARG 84 far 0 68 0 - 8.3-38.9 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 8.4-25.3 HB2 LEU 57 - HD2 ARG 66 far 0 40 0 - 8.4-11.8 HG3 ARG 71 - HD3 ARG 66 far 0 55 0 - 8.5-12.3 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 8.6-24.0 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 8.6-11.9 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 8.7-12.4 HB2 LEU 62 - HD2 ARG 84 far 0 63 0 - 8.8-38.7 HB3 LYS 73 - HD3 ARG 71 far 0 35 0 - 9.3-10.7 HB2 LYS 32 - HD2 ARG 17 far 0 60 0 - 9.3-30.0 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.5-20.0 HB2 LYS 32 - HD3 ARG 27 far 0 69 0 - 9.8-13.0 HG3 ARG 26 - HD3 ARG 17 far 0 92 0 - 10.0-19.0 HB ILE 33 - HD3 ARG 71 far 0 52 0 - 10.0-17.0 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): 3 out of 6 assignments used, quality = 1.00: * H ARG 27 + HA ARG 27 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 27 + HA GLU 25 OK 43 56 95 80 3.7-4.9 5380/3.6=48, 534=32...(7) H GLU 25 + HA GLU 25 OK 36 36 100 100 2.8-2.8 2.9=100 H GLU 25 - HA ARG 23 poor 15 49 60 51 3.6-4.9 50/3.6=25, 4.6/5345=24...(6) H ARG 27 - HA ARG 23 far 7 74 10 - 4.1-6.0 H GLU 25 - HA ARG 27 far 0 76 0 - 6.5-7.4 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 24 assignments used, quality = 1.00: HB3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.4-3.0 3.0=91, 2.9/1419=18...(31) * HB2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.7-3.0 3.0=91, 2.9/1419=18...(30) HB3 ARG 23 + HA ARG 23 OK 70 73 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(9) HB2 ARG 23 + HA ARG 23 OK 69 73 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(9) HB2 ARG 26 - HA ARG 23 poor 7 41 55 32 2.7-5.1 3.9/5345=20, 5344=7...(6) HB3 ARG 26 - HA ARG 27 far 0 63 0 - 4.1-5.6 HB3 ARG 26 - HA ARG 23 far 0 40 0 - 4.2-6.2 HB2 ARG 26 - HA ARG 27 far 0 65 0 - 4.2-4.8 HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.5-5.6 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 4.9-7.9 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 4.9-7.2 HB2 ARG 26 - HA GLU 25 far 0 30 0 - 5.6-6.6 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 5.7-9.8 HB3 ARG 26 - HA GLU 25 far 0 28 0 - 5.8-6.6 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 6.1-12.6 HB3 ARG 23 - HA ARG 27 far 0 100 0 - 6.3-9.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 6.4-9.0 HB3 ARG 23 - HA GLU 25 far 0 55 0 - 7.2-8.7 HB2 ARG 71 - HA ARG 23 far 0 74 0 - 7.2-12.9 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 7.3-11.6 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.4-8.6 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 7.7-12.4 HB2 LYS 39 - HA GLU 25 far 0 56 0 - 9.0-12.0 HB2 ARG 17 - HA GLU 25 far 0 48 0 - 9.3-15.8 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 24 assignments used, quality = 1.00: * HB3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.4-3.0 3.0=91, 2.9/1419=18...(31) HB2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.7-3.0 3.0=91, 2.9/1419=18...(30) HB3 ARG 23 + HA ARG 23 OK 69 73 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(9) HB2 ARG 23 + HA ARG 23 OK 69 72 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(9) HB2 ARG 26 - HA ARG 23 poor 8 43 55 32 2.7-5.1 3.9/5345=20, 5344=7...(6) HB3 ARG 26 - HA ARG 27 far 0 65 0 - 4.1-5.6 HB3 ARG 26 - HA ARG 23 far 0 41 0 - 4.2-6.2 HB2 ARG 26 - HA ARG 27 far 0 68 0 - 4.2-4.8 HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.5-5.6 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 4.9-7.9 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 4.9-7.2 HB2 ARG 26 - HA GLU 25 far 0 31 0 - 5.6-6.6 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 5.7-9.8 HB3 ARG 26 - HA GLU 25 far 0 30 0 - 5.8-6.6 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 6.1-12.6 HB3 ARG 23 - HA ARG 27 far 0 99 0 - 6.3-9.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 6.4-9.0 HB3 ARG 23 - HA GLU 25 far 0 54 0 - 7.2-8.7 HB2 ARG 71 - HA ARG 23 far 0 74 0 - 7.2-12.9 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 7.3-11.6 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.4-8.6 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 7.7-12.4 HB2 LYS 39 - HA GLU 25 far 0 56 0 - 9.0-12.0 HB2 ARG 17 - HA GLU 25 far 0 47 0 - 9.3-15.8 Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.41 A): 2 out of 16 assignments used, quality = 1.00: HG3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-3.8 3.8=75, 1.8/1447=30...(62) * HG2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.3-3.6 3.8=75, 1.8/1447=30...(62) HG2 ARG 26 - HA ARG 23 poor 19 69 65 43 2.3-5.5 529/5345=25, 1439=10...(5) HG2 ARG 27 - HA ARG 23 far 11 74 15 - 4.2-9.4 HG3 ARG 27 - HA ARG 23 far 0 74 0 - 4.6-9.9 HG3 ARG 27 - HA GLU 25 far 0 56 0 - 4.9-7.7 HG2 ARG 27 - HA GLU 25 far 0 56 0 - 5.1-7.8 HG2 ARG 26 - HA ARG 27 far 0 97 0 - 5.2-6.6 HG2 ARG 26 - HA GLU 25 far 0 51 0 - 5.5-6.7 HG2 ARG 71 - HA ARG 23 far 0 67 0 - 5.9-14.0 HG2 ARG 71 - HA GLU 25 far 0 50 0 - 7.4-13.7 HB3 GLN 61 - HA ARG 27 far 0 63 0 - 8.0-10.8 HG2 ARG 71 - HA ARG 27 far 0 96 0 - 8.8-13.5 HG3 ARG 70 - HA ARG 23 far 0 56 0 - 9.6-18.5 HD2 LYS 32 - HA ARG 27 far 0 81 0 - 9.6-11.9 HD3 LYS 32 - HA ARG 27 far 0 85 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.41 A): 2 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-3.8 3.8=75, 1.8/1447=30...(62) HG2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.3-3.6 3.8=75, 1.8/1447=30...(62) HG2 ARG 26 - HA ARG 23 poor 19 68 65 43 2.3-5.5 529/5345=25, 1439=10...(5) HG2 ARG 27 - HA ARG 23 far 11 74 15 - 4.2-9.4 HG3 ARG 27 - HA ARG 23 far 0 74 0 - 4.6-9.9 HG3 ARG 27 - HA GLU 25 far 0 56 0 - 4.9-7.7 HG2 ARG 27 - HA GLU 25 far 0 56 0 - 5.1-7.8 HG2 ARG 26 - HA ARG 27 far 0 97 0 - 5.2-6.6 HG2 ARG 26 - HA GLU 25 far 0 50 0 - 5.5-6.7 HG2 ARG 71 - HA ARG 23 far 0 66 0 - 5.9-14.0 HG2 ARG 71 - HA GLU 25 far 0 48 0 - 7.4-13.7 HB3 GLN 61 - HA ARG 27 far 0 65 0 - 8.0-10.8 HG2 ARG 71 - HA ARG 27 far 0 95 0 - 8.8-13.5 HG3 ARG 70 - HA ARG 23 far 0 55 0 - 9.6-18.5 HD2 LYS 32 - HA ARG 27 far 0 78 0 - 9.6-11.9 HD3 LYS 32 - HA ARG 27 far 0 83 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 5 out of 23 assignments used, quality = 1.00: * HD2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-4.8 5.4=41, 3.0/1419=32...(57) HD3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.0-4.7 5.4=41, 3.0/1419=32...(57) HD2 ARG 23 + HA ARG 23 OK 69 74 95 98 2.5-5.5 2.9/1285=61, 5.2=44...(33) HD3 ARG 23 + HA ARG 23 OK 61 74 85 98 2.4-5.5 2.9/1285=61, 5.2=44...(33) HD2 ARG 26 + HA ARG 23 OK 20 73 65 42 3.6-6.2 6.1/5345=22, 3.5/5344=11...(5) HD3 ARG 26 - HA ARG 23 poor 18 73 25 - 3.5-6.5 HD2 ARG 26 - HA ARG 27 far 5 100 5 - 3.7-8.0 HD3 ARG 26 - HA ARG 27 far 5 99 5 - 4.2-8.0 HD3 ARG 27 - HA ARG 23 far 0 74 0 - 5.1-9.4 HD2 ARG 27 - HA ARG 23 far 0 74 0 - 5.4-9.5 HD2 ARG 27 - HA GLU 25 far 0 56 0 - 6.0-9.0 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 6.5-11.8 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 6.6-14.3 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 6.6-8.3 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.9-8.9 HD2 ARG 23 - HA ARG 27 far 0 100 0 - 7.4-11.3 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 7.5-14.7 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 7.6-8.2 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 7.9-11.0 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 8.2-10.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 9.1-14.9 HD2 ARG 17 - HA GLU 25 far 0 52 0 - 9.9-19.2 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 5 out of 23 assignments used, quality = 1.00: HD2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-4.8 5.4=41, 3.0/1419=32...(57) * HD3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.0-4.7 5.4=41, 3.0/1419=32...(57) HD2 ARG 23 + HA ARG 23 OK 69 74 95 98 2.5-5.5 2.9/1285=61, 5.2=44...(33) HD3 ARG 23 + HA ARG 23 OK 61 74 85 98 2.4-5.5 2.9/1285=61, 5.2=44...(33) HD2 ARG 26 + HA ARG 23 OK 20 73 65 42 3.6-6.2 6.1/5345=22, 3.5/5344=11...(5) HD3 ARG 26 - HA ARG 23 poor 18 73 25 - 3.5-6.5 HD2 ARG 26 - HA ARG 27 far 5 100 5 - 3.7-8.0 HD3 ARG 26 - HA ARG 27 far 5 99 5 - 4.2-8.0 HD3 ARG 27 - HA ARG 23 far 0 74 0 - 5.1-9.4 HD2 ARG 27 - HA ARG 23 far 0 74 0 - 5.4-9.5 HD2 ARG 27 - HA GLU 25 far 0 56 0 - 6.0-9.0 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 6.5-11.8 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 6.6-14.3 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 6.6-8.3 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.9-8.9 HD2 ARG 23 - HA ARG 27 far 0 100 0 - 7.4-11.3 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 7.5-14.7 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 7.6-8.2 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 7.9-11.0 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 8.2-10.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 9.1-14.9 HD2 ARG 17 - HA GLU 25 far 0 52 0 - 9.9-19.2 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 1422 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.51 A): 4 out of 21 assignments used, quality = 1.00: * H ARG 27 + HB2 ARG 27 OK 98 100 100 98 2.1-2.7 4.1=64, 535/1.8=33...(20) H ARG 27 + HB3 ARG 27 OK 98 100 100 98 2.9-3.6 4.1=64, 535/1.8=33...(20) H ARG 27 + HB3 ARG 26 OK 47 52 100 92 3.1-4.1 5380/3.9=46, 4.6=44...(9) H ARG 27 + HB2 ARG 26 OK 47 54 100 87 2.3-4.1 5380/3.9=46, 4.6=44...(9) H GLU 25 - HB2 ARG 27 far 4 76 5 - 4.4-6.0 H GLU 25 - HB3 ARG 23 far 0 56 0 - 4.5-6.2 H GLU 25 - HB2 ARG 23 far 0 56 0 - 4.7-6.0 H GLU 25 - HB2 ARG 26 far 0 34 0 - 4.8-6.4 H ARG 27 - HB2 ARG 23 far 0 83 0 - 4.9-7.6 H GLU 25 - HB3 ARG 26 far 0 33 0 - 5.2-6.5 H ARG 27 - HB3 ARG 23 far 0 83 0 - 5.3-7.5 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.4-9.5 H GLU 25 - HB3 ARG 71 far 0 76 0 - 5.4-11.2 H ASN 74 - HB3 ARG 71 far 0 68 0 - 5.5-9.7 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.6-7.6 H GLU 25 - HB2 ARG 71 far 0 76 0 - 5.6-10.8 H LEU 57 - HB3 PRO 34 far 0 24 0 - 6.0-7.6 H ARG 84 - HB2 ARG 66 far 0 40 0 - 6.8-29.9 H THR 15 - HB3 PRO 34 far 0 26 0 - 7.4-25.2 H ARG 27 - HB3 ARG 71 far 0 100 0 - 7.8-12.3 H ARG 27 - HB2 ARG 71 far 0 100 0 - 7.9-11.9 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 2.4-3.0 3.0=100 * HA ARG 27 + HB2 ARG 27 OK 100 100 100 100 2.7-3.0 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 2.4-3.0 3.0=100 HA ARG 23 - HB2 ARG 26 poor 11 49 65 34 2.7-5.1 5345/3.9=25, 1439/3.0=5...(6) HA ARG 27 - HB3 ARG 26 far 0 52 0 - 4.1-5.6 HA ARG 23 - HB3 ARG 26 far 0 47 0 - 4.2-6.2 HA ARG 27 - HB2 ARG 26 far 0 54 0 - 4.2-4.8 HA GLU 25 - HB2 ARG 27 far 0 65 0 - 4.5-5.6 HA ARG 23 - HB2 ARG 27 far 0 97 0 - 4.9-7.9 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 4.9-7.2 HA ALA 30 - HB3 ARG 26 far 0 37 0 - 5.5-8.0 HA GLU 25 - HB2 ARG 26 far 0 29 0 - 5.6-6.6 HA ARG 27 - HB2 ARG 23 far 0 83 0 - 5.7-9.8 HA GLU 25 - HB3 ARG 26 far 0 27 0 - 5.8-6.6 HA ALA 30 - HB2 ARG 26 far 0 38 0 - 5.9-8.9 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 6.1-12.6 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.3-9.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 6.4-9.0 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.1-8.3 HA GLU 25 - HB3 ARG 23 far 0 48 0 - 7.2-8.7 HA ARG 23 - HB2 ARG 71 far 0 96 0 - 7.2-12.9 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 7.3-11.6 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.4-8.6 HA ASN 49 - HB2 ARG 66 far 0 37 0 - 7.7-10.4 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 7.7-12.4 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 7.9-8.4 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 54 assignments used, quality = 1.00: HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(66) * HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 71 + HB2 ARG 71 OK 95 95 100 100 2.2-3.0 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 49 50 100 98 2.2-3.0 3.0=88, 529/3.9=20...(43) HG2 ARG 26 + HB3 ARG 26 OK 47 48 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 70 - HB3 ARG 71 poor 17 85 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 14 54 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 8 54 15 - 3.3-6.8 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.6-11.0 HG2 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.5-10.5 HG3 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.7-10.4 HG2 ARG 71 - HB3 ARG 23 far 4 76 5 - 3.5-12.7 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 85 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 43 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 75 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 64 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 48 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.1-12.6 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 7.1-9.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 52 0 - 7.4-11.2 HB3 GLN 61 - HB3 PRO 34 far 0 23 0 - 7.7-8.4 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.8-11.4 HG2 ARG 17 - HB3 PRO 34 far 0 40 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.0-11.7 HG3 ARG 70 - HB2 ARG 23 far 0 64 0 - 8.2-18.6 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 8.2-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 41 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.4-11.5 HG2 ARG 26 - HB3 ARG 71 far 0 97 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 46 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 45 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 47 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 97 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 85 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 46 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.5-13.7 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 54 assignments used, quality = 1.00: * HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(66) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 71 + HB2 ARG 71 OK 94 94 100 100 2.2-3.0 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 48 49 100 98 2.2-3.0 3.0=88, 529/3.9=20...(43) HG2 ARG 26 + HB3 ARG 26 OK 46 47 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 70 - HB3 ARG 71 poor 17 83 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 14 54 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 8 54 15 - 3.3-6.8 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.6-11.0 HG3 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.7-10.4 HG2 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.5-10.5 HG2 ARG 71 - HB3 ARG 23 far 4 74 5 - 3.5-12.7 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 83 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 42 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 95 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 62 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 30 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 47 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 94 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.1-12.6 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 7.1-9.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 51 0 - 7.4-11.2 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 7.7-8.4 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.8-11.4 HG2 ARG 17 - HB3 PRO 34 far 0 39 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.0-11.7 HG3 ARG 70 - HB2 ARG 23 far 0 62 0 - 8.2-18.6 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 8.2-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 40 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.4-11.5 HG2 ARG 26 - HB3 ARG 71 far 0 96 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 45 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 44 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 46 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 96 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 83 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 45 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 39 0 - 9.5-13.7 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 60 assignments used, quality = 1.00: * HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.1 3.5=77, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.1 3.5=77, 5382/4.1=12...(62) HD2 ARG 27 + HB3 ARG 27 OK 89 100 90 99 2.1-4.2 3.5=77, 5382/4.1=13...(62) HD3 ARG 27 + HB2 ARG 27 OK 89 100 90 99 2.3-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.6-4.1 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.3-3.8 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.0-3.8 3.5=78, 2937/3.0=23...(26) HD2 ARG 26 + HB2 ARG 26 OK 52 53 100 99 2.7-4.0 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB2 ARG 26 OK 52 52 100 98 2.0-4.1 3.5=83, 532/3.9=12...(57) HD2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.1-4.1 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.0-3.5 3.5=83, 532/3.9=12...(57) HD3 ARG 66 + HB2 ARG 66 OK 44 45 100 98 2.0-3.6 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 41 42 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 26 poor 11 54 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 5 53 10 - 3.9-8.5 HD3 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 4 83 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 4 81 5 - 3.9-8.7 HD3 ARG 27 - HB3 ARG 26 far 3 52 5 - 4.0-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 4.5-12.4 HD2 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 54 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 82 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 39 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 42 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.5 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 10.0-12.5 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 60 assignments used, quality = 1.00: HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.1 3.5=77, 5382/4.1=13...(62) HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.1 3.5=77, 5382/4.1=12...(62) HD2 ARG 27 + HB3 ARG 27 OK 89 100 90 99 2.1-4.2 3.5=77, 5382/4.1=13...(62) * HD3 ARG 27 + HB2 ARG 27 OK 89 100 90 99 2.3-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.6-4.1 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.3-3.8 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.0-3.8 3.5=78, 2937/3.0=23...(26) HD2 ARG 26 + HB2 ARG 26 OK 52 53 100 99 2.7-4.0 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB2 ARG 26 OK 52 52 100 98 2.0-4.1 3.5=83, 532/3.9=12...(57) HD2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.1-4.1 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.0-3.5 3.5=83, 532/3.9=12...(57) HD3 ARG 66 + HB2 ARG 66 OK 44 45 100 98 2.0-3.6 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 41 42 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 26 poor 11 54 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 5 53 10 - 3.9-8.5 HD3 ARG 27 - HB2 ARG 23 far 4 83 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 4 83 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 4 81 5 - 3.9-8.7 HD3 ARG 27 - HB3 ARG 26 far 3 52 5 - 4.0-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 4.5-12.4 HD2 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 54 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 82 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 39 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 42 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.5 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.51 A): 4 out of 21 assignments used, quality = 1.00: H ARG 27 + HB2 ARG 27 OK 98 100 100 98 2.1-2.7 4.1=64, 535/1.8=33...(20) * H ARG 27 + HB3 ARG 27 OK 98 100 100 98 2.9-3.6 4.1=64, 535/1.8=33...(20) H ARG 27 + HB3 ARG 26 OK 49 54 100 92 3.1-4.1 5380/3.9=46, 4.6=44...(9) H ARG 27 + HB2 ARG 26 OK 49 56 100 87 2.3-4.1 5380/3.9=46, 4.6=44...(9) H GLU 25 - HB2 ARG 27 far 4 76 5 - 4.4-6.0 H GLU 25 - HB3 ARG 23 far 0 56 0 - 4.5-6.2 H GLU 25 - HB2 ARG 23 far 0 55 0 - 4.7-6.0 H GLU 25 - HB2 ARG 26 far 0 36 0 - 4.8-6.4 H ARG 27 - HB2 ARG 23 far 0 82 0 - 4.9-7.6 H GLU 25 - HB3 ARG 26 far 0 34 0 - 5.2-6.5 H ARG 27 - HB3 ARG 23 far 0 83 0 - 5.3-7.5 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.4-9.5 H GLU 25 - HB3 ARG 71 far 0 76 0 - 5.4-11.2 H ASN 74 - HB3 ARG 71 far 0 68 0 - 5.5-9.7 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.6-7.6 H GLU 25 - HB2 ARG 71 far 0 76 0 - 5.6-10.8 H LEU 57 - HB3 PRO 34 far 0 25 0 - 6.0-7.6 H ARG 84 - HB2 ARG 66 far 0 42 0 - 6.8-29.9 H THR 15 - HB3 PRO 34 far 0 27 0 - 7.4-25.2 H ARG 27 - HB3 ARG 71 far 0 100 0 - 7.8-12.3 H ARG 27 - HB2 ARG 71 far 0 100 0 - 7.9-11.9 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 2.4-3.0 3.0=100 HA ARG 27 + HB2 ARG 27 OK 100 100 100 100 2.7-3.0 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 2.4-3.0 3.0=100 HA ARG 23 - HB2 ARG 26 poor 11 51 65 34 2.7-5.1 5345/3.9=25, 1439/3.0=5...(6) HA ARG 27 - HB3 ARG 26 far 0 54 0 - 4.1-5.6 HA ARG 23 - HB3 ARG 26 far 0 49 0 - 4.2-6.2 HA ARG 27 - HB2 ARG 26 far 0 56 0 - 4.2-4.8 HA GLU 25 - HB2 ARG 27 far 0 65 0 - 4.5-5.6 HA ARG 23 - HB2 ARG 27 far 0 97 0 - 4.9-7.9 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 4.9-7.2 HA ALA 30 - HB3 ARG 26 far 0 38 0 - 5.5-8.0 HA GLU 25 - HB2 ARG 26 far 0 30 0 - 5.6-6.6 HA ARG 27 - HB2 ARG 23 far 0 82 0 - 5.7-9.8 HA GLU 25 - HB3 ARG 26 far 0 29 0 - 5.8-6.6 HA ALA 30 - HB2 ARG 26 far 0 40 0 - 5.9-8.9 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 6.1-12.6 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.3-9.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 6.4-9.0 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.1-8.3 HA GLU 25 - HB3 ARG 23 far 0 47 0 - 7.2-8.7 HA ARG 23 - HB2 ARG 71 far 0 96 0 - 7.2-12.9 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 7.3-11.6 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.4-8.6 HA ASN 49 - HB2 ARG 66 far 0 39 0 - 7.7-10.4 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 7.7-12.4 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 7.9-8.4 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 54 assignments used, quality = 1.00: * HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(66) 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 2.2-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 51 52 100 98 2.2-3.0 3.0=88, 529/3.9=20...(43) HG2 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 70 - HB3 ARG 71 poor 17 85 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 14 56 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 8 56 15 - 3.3-6.8 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.6-11.0 HG2 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.5-10.5 HG3 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.7-10.4 HG2 ARG 71 - HB3 ARG 23 far 4 75 5 - 3.5-12.7 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 85 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 45 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 64 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 50 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.1-12.6 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 7.1-9.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 54 0 - 7.4-11.2 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 7.7-8.4 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.8-11.4 HG2 ARG 17 - HB3 PRO 34 far 0 42 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.0-11.7 HG3 ARG 70 - HB2 ARG 23 far 0 63 0 - 8.2-18.6 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 8.2-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 43 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.4-11.5 HG2 ARG 26 - HB3 ARG 71 far 0 97 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 48 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 47 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 49 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 97 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 85 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 42 0 - 9.5-13.7 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 54 assignments used, quality = 1.00: * HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1419/3.0=17...(66) 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 2.2-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 50 51 100 98 2.2-3.0 3.0=88, 529/3.9=20...(43) HG2 ARG 26 + HB3 ARG 26 OK 48 49 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 70 - HB3 ARG 71 poor 17 83 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 14 56 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 8 56 15 - 3.3-6.8 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.6-11.0 HG3 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.7-10.4 HG2 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.5-10.5 HG2 ARG 71 - HB3 ARG 23 far 4 74 5 - 3.5-12.7 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 83 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 43 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 76 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 73 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 94 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 62 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 49 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 95 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.1-12.6 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 7.1-9.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 53 0 - 7.4-11.2 HB3 GLN 61 - HB3 PRO 34 far 0 25 0 - 7.7-8.4 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.8-11.4 HG2 ARG 17 - HB3 PRO 34 far 0 41 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.0-11.7 HG3 ARG 70 - HB2 ARG 23 far 0 61 0 - 8.2-18.6 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 8.2-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 42 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.4-11.5 HG2 ARG 26 - HB3 ARG 71 far 0 96 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 47 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 46 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 48 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 96 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 83 0 - 9.4-15.1 HG3 ARG 17 - HB3 ARG 26 far 0 47 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.5-13.7 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 60 assignments used, quality = 1.00: HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.1 3.5=77, 5382/4.1=12...(62) HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.1 3.5=77, 5382/4.1=13...(62) * HD2 ARG 27 + HB3 ARG 27 OK 89 100 90 99 2.1-4.2 3.5=77, 5382/4.1=13...(62) HD3 ARG 27 + HB2 ARG 27 OK 89 100 90 99 2.3-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.6-4.1 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.3-3.8 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.0-3.8 3.5=78, 2937/3.0=23...(26) HD2 ARG 26 + HB2 ARG 26 OK 55 55 100 99 2.7-4.0 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.0-4.1 3.5=83, 532/3.9=12...(57) HD2 ARG 26 + HB3 ARG 26 OK 52 53 100 98 2.1-4.1 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB3 ARG 26 OK 52 52 100 98 2.0-3.5 3.5=83, 532/3.9=12...(57) HD3 ARG 66 + HB2 ARG 66 OK 45 46 100 98 2.0-3.6 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 43 43 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 26 poor 11 56 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 6 56 10 - 3.9-8.5 HD3 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 4 82 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 4 81 5 - 3.9-8.7 HD3 ARG 27 - HB3 ARG 26 far 3 54 5 - 4.0-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 4.5-12.4 HD2 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 56 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 81 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 80 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 40 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 43 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 53 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.5 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 10.0-12.5 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 60 assignments used, quality = 1.00: * HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.1 3.5=77, 5382/4.1=12...(62) HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.1 3.5=77, 5382/4.1=13...(62) HD2 ARG 27 + HB3 ARG 27 OK 89 100 90 99 2.1-4.2 3.5=77, 5382/4.1=13...(62) HD3 ARG 27 + HB2 ARG 27 OK 89 100 90 99 2.3-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.6-4.1 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.3-3.8 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.0-3.8 3.5=78, 2937/3.0=23...(26) HD2 ARG 26 + HB2 ARG 26 OK 55 55 100 99 2.7-4.0 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.0-4.1 3.5=83, 532/3.9=12...(57) HD2 ARG 26 + HB3 ARG 26 OK 52 53 100 98 2.1-4.1 3.5=83, 532/3.9=12...(57) HD3 ARG 26 + HB3 ARG 26 OK 52 52 100 98 2.0-3.5 3.5=83, 532/3.9=12...(57) HD3 ARG 66 + HB2 ARG 66 OK 45 46 100 98 2.0-3.6 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 43 43 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 27 - HB2 ARG 26 poor 11 56 20 - 3.8-7.8 HD3 ARG 23 - HB2 ARG 26 far 6 56 10 - 3.9-8.5 HD3 ARG 27 - HB2 ARG 23 far 4 82 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 4 82 5 - 4.1-9.8 HD2 ARG 26 - HB2 ARG 23 far 4 81 5 - 3.9-8.7 HD3 ARG 27 - HB3 ARG 26 far 3 54 5 - 4.0-8.7 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 4.5-12.4 HD2 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 56 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 81 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 80 0 - 4.8-9.3 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 5.4-9.3 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 5.6-9.8 HD2 ARG 84 - HB2 ARG 66 far 0 40 0 - 5.6-32.2 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.3-12.3 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 43 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 8.3-12.1 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 53 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.5 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (8.18, 1.63, 27.31 ppm; 4.12 A): 4 out of 10 assignments used, quality = 1.00: * H ARG 27 + HG2 ARG 27 OK 100 100 100 100 1.9-4.6 5.0=57, 538/1.8=35...(28) H ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.0-4.5 5.0=57, 538/1.8=35...(27) H ARG 27 + HG2 ARG 26 OK 81 89 95 96 3.8-5.1 65/1.8=62, 5380/529=53...(10) H GLU 25 + HG2 ARG 26 OK 22 62 50 72 4.5-6.2 4.6/529=37, 4833/3.0=27...(4) H GLU 25 - HG3 ARG 27 far 8 76 10 - 4.3-8.1 H GLU 25 - HG2 ARG 27 far 4 76 5 - 4.6-7.9 H ASN 74 - HG3 ARG 70 far 0 42 0 - 5.3-11.1 H THR 15 - HG3 ARG 17 far 0 50 0 - 5.4-10.1 H THR 15 - HG2 ARG 17 far 0 49 0 - 6.3-10.8 H GLU 25 - HG3 ARG 70 far 0 48 0 - 9.4-16.4 Violated in 0 structures by 0.00 A. Peak 1439 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 3 out of 15 assignments used, quality = 1.00: * HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.6 3.8=83, 1419/1.8=35...(65) HA ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.1-3.8 3.8=83, 1419/1.8=35...(63) HA ARG 23 + HG2 ARG 26 OK 26 83 70 44 2.3-5.5 5345/529=28, 5344/3.0=9...(5) HA ARG 23 - HG2 ARG 27 poor 19 97 20 - 4.2-9.4 HA ARG 23 - HG3 ARG 27 far 0 97 0 - 4.6-9.9 HA GLU 25 - HG3 ARG 27 far 0 65 0 - 4.9-7.7 HA GLU 25 - HG2 ARG 27 far 0 65 0 - 5.1-7.8 HA ARG 27 - HG2 ARG 26 far 0 89 0 - 5.2-6.6 HA GLU 25 - HG2 ARG 26 far 0 53 0 - 5.5-6.7 HA ALA 30 - HG2 ARG 17 far 0 61 0 - 6.6-24.8 HA ALA 30 - HG2 ARG 26 far 0 68 0 - 7.2-9.6 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.3-9.5 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.4-9.1 HA ALA 30 - HG3 ARG 17 far 0 62 0 - 7.6-25.1 HA ARG 23 - HG3 ARG 70 far 0 67 0 - 9.6-18.5 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 8 out of 41 assignments used, quality = 1.00: HB2 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.3-3.0 2.9=74, 3.0/1419=14...(58) * HB2 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(58) HB3 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(56) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.2-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 17 + HG3 ARG 17 OK 71 74 100 95 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 17 + HG2 ARG 17 OK 70 73 100 95 2.4-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 48 53 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 26 + HG2 ARG 26 OK 46 50 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 71 - HG3 ARG 70 far 11 73 15 - 3.1-8.4 HB2 ARG 26 - HG2 ARG 27 far 10 65 15 - 3.1-6.8 HB2 ARG 26 - HG3 ARG 27 far 7 65 10 - 3.3-6.8 HB2 ARG 23 - HG2 ARG 27 far 5 99 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 0 100 0 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.7-10.4 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 48 0 - 4.1-10.0 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 88 0 - 4.2-8.1 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.7-7.2 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.0-8.3 HB2 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 72 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 68 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.8-11.4 HB3 PRO 34 - HG2 ARG 17 far 0 59 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 71 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 60 0 - 8.3-28.2 HB3 ARG 71 - HG2 ARG 26 far 0 89 0 - 8.5-15.6 HB3 ARG 26 - HG2 ARG 17 far 0 45 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 82 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 47 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 89 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 80 0 - 9.5-17.6 HB3 ARG 26 - HG3 ARG 17 far 0 46 0 - 9.5-21.1 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 8 out of 41 assignments used, quality = 1.00: HB3 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.3-3.0 2.9=74, 3.0/1419=14...(58) HB2 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(58) * HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.2-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 17 + HG3 ARG 17 OK 69 73 100 95 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 17 + HG2 ARG 17 OK 68 71 100 95 2.4-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 51 55 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 26 + HG2 ARG 26 OK 48 53 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 71 - HG3 ARG 70 far 11 73 15 - 3.1-8.4 HB2 ARG 26 - HG2 ARG 27 far 10 68 15 - 3.1-6.8 HB2 ARG 26 - HG3 ARG 27 far 7 68 10 - 3.3-6.8 HB2 ARG 23 - HG2 ARG 27 far 5 99 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.7-10.4 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 50 0 - 4.1-10.0 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.2-8.1 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.7-7.2 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.0-8.3 HB2 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 71 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 67 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.8-11.4 HB3 PRO 34 - HG2 ARG 17 far 0 61 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 70 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 62 0 - 8.3-28.2 HB3 ARG 71 - HG2 ARG 26 far 0 89 0 - 8.5-15.6 HB3 ARG 26 - HG2 ARG 17 far 0 47 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 82 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 49 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 89 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 9.5-17.6 HB3 ARG 26 - HG3 ARG 17 far 0 48 0 - 9.5-21.1 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 34 assignments used, quality = 1.00: HD3 ARG 27 + HG2 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 2.5-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.3-3.0 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 2.3-3.0 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 HD2 ARG 26 - HG2 ARG 27 far 5 100 5 - 3.0-10.6 HD2 ARG 71 - HG3 ARG 70 far 2 37 5 - 2.6-9.1 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 6.3-12.3 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 7.2-13.3 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 8.2-19.7 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 72 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 48 0 - 9.8-17.2 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 34 assignments used, quality = 1.00: * HD3 ARG 27 + HG2 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 2.5-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.3-3.0 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 2.3-3.0 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 HD2 ARG 26 - HG2 ARG 27 far 5 100 5 - 3.0-10.6 HD2 ARG 71 - HG3 ARG 70 far 2 37 5 - 2.6-9.1 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 6.3-12.3 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 7.2-13.3 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 8.2-19.7 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 72 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 48 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 3 out of 15 assignments used, quality = 1.00: HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.6 3.8=83, 1419/1.8=35...(65) * HA ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.1-3.8 3.8=83, 1419/1.8=35...(63) HA ARG 23 + HG2 ARG 26 OK 25 82 70 44 2.3-5.5 5345/529=27, 5344/3.0=9...(5) HA ARG 23 - HG2 ARG 27 poor 19 97 20 - 4.2-9.4 HA ARG 23 - HG3 ARG 27 far 0 97 0 - 4.6-9.9 HA GLU 25 - HG3 ARG 27 far 0 65 0 - 4.9-7.7 HA GLU 25 - HG2 ARG 27 far 0 65 0 - 5.1-7.8 HA ARG 27 - HG2 ARG 26 far 0 88 0 - 5.2-6.6 HA GLU 25 - HG2 ARG 26 far 0 52 0 - 5.5-6.7 HA ALA 30 - HG2 ARG 17 far 0 60 0 - 6.6-24.8 HA ALA 30 - HG2 ARG 26 far 0 67 0 - 7.2-9.6 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.3-9.5 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.4-9.1 HA ALA 30 - HG3 ARG 17 far 0 61 0 - 7.6-25.1 HA ARG 23 - HG3 ARG 70 far 0 65 0 - 9.6-18.5 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 8 out of 41 assignments used, quality = 1.00: * HB2 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.3-3.0 2.9=74, 3.0/1419=14...(58) HB3 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(58) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.2-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 17 + HG3 ARG 17 OK 70 73 100 95 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 17 + HG2 ARG 17 OK 68 71 100 95 2.4-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 48 52 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 26 + HG2 ARG 26 OK 45 49 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 71 - HG3 ARG 70 far 11 71 15 - 3.1-8.4 HB2 ARG 26 - HG2 ARG 27 far 10 65 15 - 3.1-6.8 HB2 ARG 26 - HG3 ARG 27 far 7 65 10 - 3.3-6.8 HB2 ARG 23 - HG2 ARG 27 far 5 99 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 0 100 0 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.7-10.4 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 46 0 - 4.1-10.0 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.2-8.1 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.7-7.2 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.0-8.3 HB2 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 70 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 66 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.8-11.4 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 69 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 59 0 - 8.3-28.2 HB3 ARG 71 - HG2 ARG 26 far 0 88 0 - 8.5-15.6 HB3 ARG 26 - HG2 ARG 17 far 0 44 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 80 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 46 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 88 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 9.5-17.6 HB3 ARG 26 - HG3 ARG 17 far 0 45 0 - 9.5-21.1 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 8 out of 41 assignments used, quality = 1.00: HB2 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.3-3.0 2.9=74, 3.0/1419=14...(58) * HB3 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.4-3.0 2.9=74, 3.0/1419=14...(58) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.2-3.0 2.9=74, 3.0/1419=14...(56) HB2 ARG 17 + HG3 ARG 17 OK 68 71 100 95 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 17 + HG2 ARG 17 OK 67 70 100 95 2.4-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 50 54 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 26 + HG2 ARG 26 OK 47 52 100 92 2.2-3.0 3.0=69, 3.9/529=16...(31) HB3 ARG 71 - HG3 ARG 70 far 11 71 15 - 3.1-8.4 HB2 ARG 26 - HG2 ARG 27 far 10 68 15 - 3.1-6.8 HB2 ARG 26 - HG3 ARG 27 far 7 68 10 - 3.3-6.8 HB2 ARG 23 - HG2 ARG 27 far 5 99 5 - 3.5-10.5 HB3 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.6-11.0 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 3.7-10.4 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 3.9-7.8 HB2 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.9-7.4 HB2 ARG 66 - HG3 ARG 70 far 0 48 0 - 4.1-10.0 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.1-10.3 HB3 ARG 23 - HG2 ARG 26 far 0 86 0 - 4.2-8.1 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.7-7.2 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.0-8.3 HB2 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.4-7.7 HB3 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.7-8.4 HB3 ARG 23 - HG3 ARG 70 far 0 69 0 - 6.7-19.0 HB2 LYS 75 - HG3 ARG 70 far 0 65 0 - 6.7-13.6 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.1-12.6 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 7.2-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.8-11.4 HB3 PRO 34 - HG2 ARG 17 far 0 60 0 - 8.0-28.7 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 8.0-11.7 HB2 ARG 23 - HG3 ARG 70 far 0 68 0 - 8.2-18.6 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.2-21.3 HB3 PRO 34 - HG3 ARG 17 far 0 61 0 - 8.3-28.2 HB3 ARG 71 - HG2 ARG 26 far 0 88 0 - 8.5-15.6 HB3 ARG 26 - HG2 ARG 17 far 0 46 0 - 8.8-20.5 HB2 LYS 39 - HG2 ARG 17 far 0 80 0 - 9.2-21.3 HB2 ARG 26 - HG2 ARG 17 far 0 48 0 - 9.3-20.2 HB2 ARG 71 - HG2 ARG 26 far 0 88 0 - 9.4-15.0 HB2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.4-15.1 HB2 ARG 17 - HG2 ARG 26 far 0 78 0 - 9.5-17.6 HB3 ARG 26 - HG3 ARG 17 far 0 47 0 - 9.5-21.1 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 34 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 + HG3 ARG 27 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 27 + HG2 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 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 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 2.3-3.0 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 HD2 ARG 26 - HG2 ARG 27 far 5 100 5 - 3.0-10.6 HD2 ARG 71 - HG3 ARG 70 far 2 35 5 - 2.6-9.1 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 6.3-12.3 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 7.2-13.3 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.2-19.7 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 70 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 47 0 - 9.8-17.2 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 34 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 + HG3 ARG 27 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 27 + HG2 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 2.5-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 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 2.3-3.0 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 HD2 ARG 26 - HG2 ARG 27 far 5 100 5 - 3.0-10.6 HD2 ARG 71 - HG3 ARG 70 far 2 35 5 - 2.6-9.1 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 4.3-10.5 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.5-10.5 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 4.6-10.3 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.2-12.7 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.3-11.8 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.3-10.9 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 5.5-10.2 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.6-9.8 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.6-11.9 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 5.7-12.8 HD3 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.9-10.4 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 6.3-12.3 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.5-9.5 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.6-13.1 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 7.2-13.3 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.2-19.7 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.3-20.9 HD2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 70 0 - 9.5-18.3 HD2 ARG 71 - HG2 ARG 26 far 0 47 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (4.12, 3.17, 43.10 ppm; 4.47 A): 6 out of 34 assignments used, quality = 1.00: * HA ARG 27 + HD2 ARG 27 OK 100 100 100 100 2.1-4.8 5.4=58, 1419/3.0=37...(58) HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.7 5.4=58, 1419/3.0=37...(58) HA ARG 23 + HD2 ARG 23 OK 91 96 95 100 2.5-5.5 1264/2.9=75, 5.2=63...(33) HA ARG 23 + HD3 ARG 23 OK 86 96 90 100 2.4-5.5 1264/2.9=75, 5.2=63...(33) HA ARG 23 + HD2 ARG 26 OK 35 96 75 49 3.6-6.2 5345/6.1=29, 5344/3.5=12...(5) HA ARG 23 + HD3 ARG 26 OK 28 95 60 49 3.5-6.5 5345/6.1=29, 5344/3.5=12...(5) HA ARG 23 - HD3 ARG 27 far 10 97 10 - 5.1-9.4 HA ARG 27 - HD2 ARG 26 far 5 100 5 - 3.7-8.0 HA ARG 27 - HD3 ARG 26 far 5 99 5 - 4.2-8.0 HA ARG 23 - HD2 ARG 27 far 0 97 0 - 5.4-9.5 HA ASN 49 - HD3 ARG 66 far 0 30 0 - 5.5-13.0 HA ASN 49 - HD2 ARG 66 far 0 28 0 - 5.5-12.1 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 5.8-10.3 HA GLU 25 - HD2 ARG 27 far 0 65 0 - 6.0-9.0 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 6.5-11.8 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.6-11.5 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 6.6-14.3 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 6.6-8.3 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.6-10.0 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 6.6-10.4 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.9-8.9 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 6.9-26.1 HA ASN 49 - HD3 ARG 84 far 0 56 0 - 7.2-38.6 HA ASN 49 - HD2 ARG 84 far 0 52 0 - 7.3-40.0 HA ARG 27 - HD2 ARG 23 far 0 100 0 - 7.4-11.3 HA ARG 23 - HD2 ARG 71 far 0 54 0 - 7.5-14.7 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 7.6-8.2 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 7.7-27.0 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 7.9-11.0 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 8.2-10.8 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 9.1-14.9 HB THR 88 - HD3 ARG 84 far 0 82 0 - 9.6-18.7 HA GLU 25 - HD2 ARG 17 far 0 61 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 1456 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.83 A): 18 out of 67 assignments used, quality = 1.00: HB3 ARG 27 + HD3 ARG 27 OK 89 100 95 93 2.1-4.1 3.5=51, 4.1/5382=8...(58) * HB2 ARG 27 + HD2 ARG 27 OK 89 100 95 93 2.2-4.1 3.5=51, 4.1/5382=9...(58) HB3 ARG 23 + HD3 ARG 23 OK 88 99 95 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 88 99 95 94 2.6-4.1 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 77 91 90 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB3 ARG 23 + HD2 ARG 23 OK 74 99 80 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 27 + HD2 ARG 27 OK 70 100 75 93 2.1-4.2 3.5=51, 4.1/5382=9...(58) HB2 ARG 27 + HD3 ARG 27 OK 70 100 75 93 2.3-4.2 3.5=51, 4.1/5382=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 65 99 70 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 26 + HD3 ARG 26 OK 55 61 100 90 2.0-3.5 3.5=55, 3.9/532=9...(49) HB3 ARG 26 + HD2 ARG 26 OK 50 62 90 90 2.1-4.1 3.5=55, 3.9/532=9...(49) HB3 ARG 71 + HD2 ARG 71 OK 49 60 95 87 2.0-3.8 3.5=52, 3.0/2902=14...(29) HB2 ARG 17 + HD3 ARG 17 OK 47 91 55 95 2.2-4.2 3.6=49, 1160/1.8=18...(42) HB2 ARG 71 + HD2 ARG 71 OK 44 60 85 87 2.3-3.8 3.5=52, 3.0/2902=14...(30) HB2 ARG 26 + HD2 ARG 26 OK 41 64 70 90 2.7-4.0 3.5=55, 3.9/532=9...(49) HB2 ARG 26 + HD3 ARG 26 OK 40 64 70 90 2.0-4.1 3.5=55, 3.9/532=9...(49) HB2 ARG 66 + HD3 ARG 66 OK 26 30 100 88 2.0-3.6 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 23 28 95 87 2.0-3.7 3.4=55, ~2701=13...(18) HB2 ARG 23 - HD3 ARG 27 far 5 99 5 - 3.5-10.2 HB2 ARG 26 - HD3 ARG 27 far 0 65 0 - 3.8-7.8 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 59 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 65 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 99 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 52 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 56 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 97 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 61 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.83 A): 18 out of 67 assignments used, quality = 1.00: HB3 ARG 27 + HD3 ARG 27 OK 89 100 95 93 2.1-4.1 3.5=51, 4.1/5382=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 89 100 95 93 2.2-4.1 3.5=51, 4.1/5382=9...(58) HB3 ARG 23 + HD3 ARG 23 OK 88 99 95 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 88 99 95 94 2.6-4.1 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 76 89 90 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB3 ARG 23 + HD2 ARG 23 OK 74 99 80 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) * HB3 ARG 27 + HD2 ARG 27 OK 70 100 75 93 2.1-4.2 3.5=51, 4.1/5382=9...(58) HB2 ARG 27 + HD3 ARG 27 OK 70 100 75 93 2.3-4.2 3.5=51, 4.1/5382=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 65 99 70 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 26 + HD3 ARG 26 OK 58 64 100 90 2.0-3.5 3.5=55, 3.9/532=9...(49) HB3 ARG 26 + HD2 ARG 26 OK 52 64 90 90 2.1-4.1 3.5=55, 3.9/532=9...(49) HB3 ARG 71 + HD2 ARG 71 OK 49 60 95 87 2.0-3.8 3.5=52, 3.0/2902=14...(29) HB2 ARG 17 + HD3 ARG 17 OK 46 89 55 94 2.2-4.2 3.6=49, 1160/1.8=18...(42) HB2 ARG 71 + HD2 ARG 71 OK 44 60 85 87 2.3-3.8 3.5=52, 3.0/2902=14...(30) HB2 ARG 26 + HD2 ARG 26 OK 42 67 70 90 2.7-4.0 3.5=55, 3.9/532=9...(49) HB2 ARG 26 + HD3 ARG 26 OK 42 66 70 90 2.0-4.1 3.5=55, 3.9/532=9...(49) HB2 ARG 66 + HD3 ARG 66 OK 27 31 100 88 2.0-3.6 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 24 29 95 88 2.0-3.7 3.4=55, ~2701=13...(18) HB2 ARG 23 - HD3 ARG 27 far 5 99 5 - 3.5-10.2 HB2 ARG 26 - HD3 ARG 27 far 0 68 0 - 3.8-7.8 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 67 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 68 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 98 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 54 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 58 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 96 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 64 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 10.0-12.5 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: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) * HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 93 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.4-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 89 92 100 96 2.3-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 50 53 100 94 2.4-3.0 3.0=88, 3.8/2902=12...(21) HG2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 2 45 5 - 2.6-9.1 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 35 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 37 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 8.2-11.9 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 8.3-14.3 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 8.5-11.1 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 8.8-13.7 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.1-12.6 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 9.3-20.9 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.4-11.2 HG3 ARG 70 - HD2 ARG 27 far 0 85 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 84 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 95 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 55 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.9-13.1 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: * HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 92 95 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG3 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.4-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.3-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 17 + HD3 ARG 17 OK 86 89 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 86 89 100 96 2.4-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 49 52 100 94 2.4-3.0 3.0=88, 3.8/2902=12...(21) HG2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 2 43 5 - 2.6-9.1 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 62 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 34 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 36 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.1-21.1 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 8.2-11.9 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 8.3-14.3 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 8.5-11.1 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 8.8-13.7 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.1-12.6 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.4-11.2 HG3 ARG 70 - HD2 ARG 27 far 0 83 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 82 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 54 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.9-13.1 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): 6 out of 34 assignments used, quality = 1.00: HA ARG 27 + HD2 ARG 27 OK 100 100 100 100 2.1-4.8 5.4=58, 1419/3.0=37...(58) * HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.7 5.4=58, 1419/3.0=37...(58) HA ARG 23 + HD2 ARG 23 OK 91 96 95 100 2.5-5.5 1264/2.9=75, 5.2=63...(33) HA ARG 23 + HD3 ARG 23 OK 86 96 90 100 2.4-5.5 1264/2.9=75, 5.2=63...(33) HA ARG 23 + HD2 ARG 26 OK 35 96 75 49 3.6-6.2 5345/6.1=29, 5344/3.5=12...(5) HA ARG 23 + HD3 ARG 26 OK 28 95 60 49 3.5-6.5 5345/6.1=29, 5344/3.5=12...(5) HA ARG 23 - HD3 ARG 27 far 10 97 10 - 5.1-9.4 HA ARG 27 - HD2 ARG 26 far 5 100 5 - 3.7-8.0 HA ARG 27 - HD3 ARG 26 far 5 99 5 - 4.2-8.0 HA ARG 23 - HD2 ARG 27 far 0 97 0 - 5.4-9.5 HA ASN 49 - HD3 ARG 66 far 0 30 0 - 5.5-13.0 HA ASN 49 - HD2 ARG 66 far 0 28 0 - 5.5-12.1 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 5.8-10.3 HA GLU 25 - HD2 ARG 27 far 0 65 0 - 6.0-9.0 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 6.5-11.8 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.6-11.5 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 6.6-14.3 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 6.6-8.3 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.6-10.0 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 6.6-10.4 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.9-8.9 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 6.9-26.1 HA ASN 49 - HD3 ARG 84 far 0 56 0 - 7.2-38.6 HA ASN 49 - HD2 ARG 84 far 0 52 0 - 7.3-40.0 HA ARG 27 - HD2 ARG 23 far 0 100 0 - 7.4-11.3 HA ARG 23 - HD2 ARG 71 far 0 54 0 - 7.5-14.7 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 7.6-8.2 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 7.7-27.0 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 7.9-11.0 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 8.2-10.8 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 9.1-14.9 HB THR 88 - HD3 ARG 84 far 0 82 0 - 9.6-18.7 HA GLU 25 - HD2 ARG 17 far 0 61 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.83 A): 18 out of 67 assignments used, quality = 1.00: HB3 ARG 27 + HD3 ARG 27 OK 89 100 95 93 2.1-4.1 3.5=51, 4.1/5382=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 89 100 95 93 2.2-4.1 3.5=51, 4.1/5382=9...(58) HB3 ARG 23 + HD3 ARG 23 OK 88 99 95 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 88 99 95 94 2.6-4.1 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 77 91 90 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB3 ARG 23 + HD2 ARG 23 OK 74 99 80 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 27 + HD2 ARG 27 OK 70 100 75 93 2.1-4.2 3.5=51, 4.1/5382=9...(58) * HB2 ARG 27 + HD3 ARG 27 OK 70 100 75 93 2.3-4.2 3.5=51, 4.1/5382=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 65 99 70 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 26 + HD3 ARG 26 OK 55 61 100 90 2.0-3.5 3.5=55, 3.9/532=9...(49) HB3 ARG 26 + HD2 ARG 26 OK 50 62 90 90 2.1-4.1 3.5=55, 3.9/532=9...(49) HB3 ARG 71 + HD2 ARG 71 OK 49 60 95 87 2.0-3.8 3.5=52, 3.0/2902=14...(29) HB2 ARG 17 + HD3 ARG 17 OK 47 91 55 95 2.2-4.2 3.6=49, 1160/1.8=18...(42) HB2 ARG 71 + HD2 ARG 71 OK 44 60 85 87 2.3-3.8 3.5=52, 3.0/2902=14...(30) HB2 ARG 26 + HD2 ARG 26 OK 41 64 70 90 2.7-4.0 3.5=55, 3.9/532=9...(49) HB2 ARG 26 + HD3 ARG 26 OK 40 64 70 90 2.0-4.1 3.5=55, 3.9/532=9...(49) HB2 ARG 66 + HD3 ARG 66 OK 26 30 100 88 2.0-3.6 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 23 28 95 87 2.0-3.7 3.4=55, ~2701=13...(18) HB2 ARG 23 - HD3 ARG 27 far 5 99 5 - 3.5-10.2 HB2 ARG 26 - HD3 ARG 27 far 0 65 0 - 3.8-7.8 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 59 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 65 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 99 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 52 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 56 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 97 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 61 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.83 A): 18 out of 67 assignments used, quality = 1.00: * HB3 ARG 27 + HD3 ARG 27 OK 89 100 95 93 2.1-4.1 3.5=51, 4.1/5382=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 89 100 95 93 2.2-4.1 3.5=51, 4.1/5382=9...(58) HB3 ARG 23 + HD3 ARG 23 OK 88 99 95 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 88 99 95 94 2.6-4.1 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 76 89 90 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB3 ARG 23 + HD2 ARG 23 OK 74 99 80 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 27 + HD2 ARG 27 OK 70 100 75 93 2.1-4.2 3.5=51, 4.1/5382=9...(58) HB2 ARG 27 + HD3 ARG 27 OK 70 100 75 93 2.3-4.2 3.5=51, 4.1/5382=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 65 99 70 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 26 + HD3 ARG 26 OK 58 64 100 90 2.0-3.5 3.5=55, 3.9/532=9...(49) HB3 ARG 26 + HD2 ARG 26 OK 52 64 90 90 2.1-4.1 3.5=55, 3.9/532=9...(49) HB3 ARG 71 + HD2 ARG 71 OK 49 60 95 87 2.0-3.8 3.5=52, 3.0/2902=14...(29) HB2 ARG 17 + HD3 ARG 17 OK 46 89 55 94 2.2-4.2 3.6=49, 1160/1.8=18...(42) HB2 ARG 71 + HD2 ARG 71 OK 44 60 85 87 2.3-3.8 3.5=52, 3.0/2902=14...(30) HB2 ARG 26 + HD2 ARG 26 OK 42 67 70 90 2.7-4.0 3.5=55, 3.9/532=9...(49) HB2 ARG 26 + HD3 ARG 26 OK 42 66 70 90 2.0-4.1 3.5=55, 3.9/532=9...(49) HB2 ARG 66 + HD3 ARG 66 OK 27 31 100 88 2.0-3.6 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 24 29 95 88 2.0-3.7 3.4=55, ~2701=13...(18) HB2 ARG 23 - HD3 ARG 27 far 5 99 5 - 3.5-10.2 HB2 ARG 26 - HD3 ARG 27 far 0 68 0 - 3.8-7.8 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 3.9-8.5 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.1-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 67 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 68 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.8-9.3 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.9-10.1 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.3-10.7 HB3 ARG 23 - HD3 ARG 26 far 0 98 0 - 5.4-9.3 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.6-9.8 HB2 ARG 66 - HD2 ARG 84 far 0 54 0 - 5.6-32.2 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.5-9.8 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 58 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 96 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 64 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.5 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.5-19.2 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 10.0-12.5 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: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 3.8/1420=7...(49) * HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 93 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.4-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 89 92 100 96 2.3-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 50 53 100 94 2.4-3.0 3.0=88, 3.8/2902=12...(21) HG2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 2 45 5 - 2.6-9.1 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 35 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 37 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-21.1 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 8.2-11.9 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 8.3-14.3 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 8.5-11.1 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 8.8-13.7 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.1-12.6 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 9.3-20.9 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.4-11.2 HG3 ARG 70 - HD2 ARG 27 far 0 85 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 84 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 95 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 55 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.9-13.1 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: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 5.0/5382=8...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 5.0/5382=8...(49) * HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.5-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=9...(25) HG2 ARG 26 + HD3 ARG 26 OK 92 95 100 96 2.3-3.0 3.0=92, 529/6.1=9...(24) HG3 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.4-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.3-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 17 + HD3 ARG 17 OK 86 89 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 86 89 100 96 2.4-3.0 3.0=89, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 49 52 100 94 2.4-3.0 3.0=88, 3.8/2902=12...(21) HG2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.0-10.6 HG3 ARG 70 - HD2 ARG 71 far 2 43 5 - 2.6-9.1 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.3-10.5 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 4.5-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-10.3 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.5-10.2 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 62 0 - 6.0-11.1 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 6.3-12.3 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.6-13.1 HB2 LEU 86 - HD2 ARG 66 far 0 34 0 - 6.8-39.6 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.0-29.3 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 7.2-13.3 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 7.6-29.9 HB2 LEU 86 - HD3 ARG 66 far 0 36 0 - 7.9-39.8 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.1-21.1 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 8.2-11.9 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 8.3-14.3 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 8.5-11.1 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 8.8-13.7 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.1-12.6 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.3-20.9 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.4-11.2 HG3 ARG 70 - HD2 ARG 27 far 0 83 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 82 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 93 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 54 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.9-13.1 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 3 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 25 - HA ALA 28 far 0 96 0 - 7.0-8.0 H SER 22 - HA ALA 28 far 0 100 0 - 9.7-12.4 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 4 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 - 6.5-17.8 HG3 LYS 32 - HA ALA 28 far 0 97 0 - 7.5-8.8 QG2 THR 58 - HA ALA 28 far 0 68 0 - 9.3-12.2 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 2.0-2.3 2.9=100 H GLU 25 - QB ALA 28 far 0 96 0 - 4.3-5.5 H SER 22 - QB ALA 28 far 0 100 0 - 6.5-9.1 H THR 15 - QB ALA 28 far 0 98 0 - 9.8-18.0 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 poor 19 78 45 55 3.1-4.7 3.2/6128=40...(5) HA2 GLY 18 - QB ALA 28 far 0 57 0 - 4.1-14.1 HA3 GLY 18 - QB ALA 28 far 0 60 0 - 4.3-13.9 HA LYS 32 - QB ALA 28 far 0 85 0 - 5.0-6.5 HA3 GLY 21 - QB ALA 28 far 0 99 0 - 6.8-10.2 HA GLN 61 - QB ALA 28 far 0 99 0 - 7.1-8.2 HA2 GLY 21 - QB ALA 28 far 0 99 0 - 7.1-10.6 HA2 GLY 72 - QB ALA 28 far 0 100 0 - 7.3-11.0 HA ARG 66 - QB ALA 28 far 0 85 0 - 9.0-10.7 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): 2 out of 4 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 32 + HA LEU 29 OK 65 97 100 67 2.9-4.0 4205=29, 89/5526=27...(6) H VAL 76 - HA LYS 73 far 4 88 5 - 4.0-9.9 H ARG 70 - HA LYS 73 far 0 91 0 - 7.3-7.8 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 10 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.6-2.9 3.0=100 HB2 ARG 84 + HA ARG 84 OK 59 59 100 100 2.3-3.0 3.0=100 HB3 LYS 83 - HA ARG 84 far 0 64 0 - 4.1-6.1 HB3 LYS 85 - HA ARG 84 far 0 63 0 - 4.2-5.9 HB2 ARG 82 - HA ARG 84 far 0 43 0 - 4.6-8.1 HB3 ARG 17 - HA LEU 29 far 0 65 0 - 6.0-20.9 HG2 ARG 70 - HA LYS 73 far 0 88 0 - 7.3-9.1 HG3 ARG 66 - HA ARG 84 far 0 45 0 - 8.5-31.8 HB3 LEU 64 - HA LEU 29 far 0 85 0 - 9.5-10.9 HB2 LEU 43 - HA LYS 73 far 0 88 0 - 9.6-11.5 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 6 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 ARG 84 + HA ARG 84 OK 53 56 95 99 2.2-4.2 3.9=59, 3402/3.0=28...(45) HG3 ARG 84 + HA ARG 84 OK 53 56 95 99 2.6-4.2 3.9=59, 3394/3.0=28...(45) HG LEU 86 - HA ARG 84 far 0 50 0 - 5.5-10.1 HB3 LEU 86 - HA ARG 84 far 0 51 0 - 5.8-9.3 HB3 LEU 62 - HA ARG 84 far 0 61 0 - 9.8-35.6 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (1.67, 4.16, 56.71 ppm; 3.35 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 3.6-3.7 3.7=76, 1499/3.0=70...(27) HD3 LYS 75 - HA LYS 73 far 4 86 5 - 3.3-10.4 HB2 ARG 82 - HA ARG 84 far 0 46 0 - 4.6-8.1 HD2 LYS 75 - HA LYS 73 far 0 86 0 - 4.7-10.5 HB3 LYS 13 - HA LEU 29 far 0 99 0 - 8.4-24.0 HG3 ARG 66 - HA ARG 84 far 0 45 0 - 8.5-31.8 HB3 GLN 61 - HA LEU 29 far 0 92 0 - 8.7-11.1 HB3 LEU 64 - HA LEU 29 far 0 76 0 - 9.5-10.9 Violated in 20 structures by 0.29 A. Peak 1481 from cnoeabs.peaks (0.88, 4.16, 56.71 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 3.4-4.1 2.1/1480=68, 2.1/1512=66...(23) QD1 LEU 86 - HA ARG 84 far 0 61 0 - 5.9-8.9 QD1 LEU 62 - HA ARG 84 far 0 63 0 - 9.0-31.1 Violated in 20 structures by 0.50 A. Peak 1482 from cnoeabs.peaks (0.84, 4.16, 56.71 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.90: * QD2 LEU 29 + HA LEU 29 OK 90 100 90 100 2.5-4.1 1512=79, 2.1/1480=59...(32) QD2 LEU 86 - HA ARG 84 far 0 57 0 - 4.9-8.8 QD2 LEU 64 - HA LEU 29 far 0 100 0 - 5.7-6.6 QG2 ILE 89 - HA ARG 84 far 0 64 0 - 8.2-15.6 Violated in 15 structures by 0.34 A. Peak 1483 from cnoeabs.peaks (7.95, 1.72, 41.88 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.3-3.5 546=100, 547/1.8=74...(13) H LYS 32 - HB2 LEU 29 far 0 97 0 - 4.7-6.2 Violated in 10 structures by 0.06 A. Peak 1484 from cnoeabs.peaks (4.16, 1.72, 41.88 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.6-2.9 3.0=100 HA ALA 30 + HB2 LEU 29 OK 52 71 75 99 3.8-5.6 3.0/3764=53, 2.1/4843=35...(21) HB THR 15 - HB2 LEU 29 far 0 99 0 - 5.8-22.1 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; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.5-2.7 1499=100, 1500/1.8=59...(25) Violated in 19 structures by 0.16 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 1.9-3.1 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 2.0-3.2 3.1=100 QD2 LEU 64 - HB2 LEU 29 far 0 100 0 - 6.8-8.1 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 5 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.9-3.6 547=100, 546/1.8=87...(13) H ALA 63 + HB3 LEU 62 OK 64 65 100 98 2.5-3.4 257=64, 256/1.8=48...(13) H LYS 32 - HB3 LEU 29 far 0 97 0 - 5.0-5.7 H ASP 67 - HB3 LEU 62 far 0 77 0 - 6.9-7.7 H ALA 63 - HB3 LEU 86 far 0 46 0 - 8.2-38.8 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 2.2-2.3 3.0=100 HA ALA 30 - HB3 LEU 29 far 0 71 0 - 4.8-5.5 HB THR 15 - HB3 LEU 29 far 0 99 0 - 5.3-20.7 HA ARG 84 - HB3 LEU 86 far 0 50 0 - 5.8-9.3 HA GLN 91 - HB3 LEU 86 far 0 44 0 - 7.0-18.3 HA ILE 89 - HB3 LEU 86 far 0 73 0 - 7.2-12.0 HA ALA 53 - HB3 LEU 62 far 0 98 0 - 7.7-10.9 HA ASN 49 - HB3 LEU 62 far 0 75 0 - 7.9-10.6 HA ARG 84 - HB3 LEU 62 far 0 70 0 - 9.8-35.6 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 10 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 66 - HB3 LEU 62 far 0 77 0 - 3.5-5.2 HB2 ARG 84 - HB3 LEU 86 far 0 72 0 - 5.1-10.4 HB3 ARG 17 - HB3 LEU 29 far 0 65 0 - 5.3-19.1 HB3 LYS 85 - HB3 LEU 86 far 0 76 0 - 6.1-7.2 HB2 ARG 84 - HB3 LEU 62 far 0 95 0 - 7.2-37.3 HB3 LYS 83 - HB3 LEU 86 far 0 78 0 - 7.6-13.0 HB3 LEU 64 - HB3 LEU 62 far 0 81 0 - 7.9-8.8 HG3 ARG 66 - HB3 LEU 86 far 0 56 0 - 8.1-39.1 HB2 ARG 82 - HB3 LEU 86 far 0 54 0 - 10.0-16.7 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; 2.65 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.9-3.0 1500=100, 1499/1.8=71...(25) HG3 ARG 66 - HB3 LEU 62 far 4 77 5 - 3.5-5.2 HB3 GLN 61 - HB3 LEU 62 far 0 89 0 - 6.1-6.7 HB3 LEU 64 - HB3 LEU 62 far 0 72 0 - 7.9-8.8 HG3 ARG 66 - HB3 LEU 86 far 0 56 0 - 8.1-39.1 HB3 LYS 13 - HB3 LEU 29 far 0 99 0 - 8.8-23.1 HB2 ARG 82 - HB3 LEU 86 far 0 58 0 - 10.0-16.7 Violated in 20 structures by 0.31 A. Peak 1495 from cnoeabs.peaks (0.88, 1.58, 41.88 ppm; 3.01 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.0-2.8 3.1=90, 2.1/1500=71...(23) QD1 LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.6-3.0 3.1=90, 2600/3.0=40...(29) QD1 LEU 86 + HB3 LEU 86 OK 74 74 100 99 2.1-3.2 3.1=92, 2.1/3537=42...(23) QD1 LEU 62 - HB3 LEU 86 far 0 76 0 - 5.2-36.8 QD1 LEU 86 - HB3 LEU 62 far 0 96 0 - 5.5-35.9 QG2 VAL 90 - HB3 LEU 86 far 0 59 0 - 8.0-13.5 QG1 VAL 90 - HB3 LEU 86 far 0 58 0 - 8.2-13.7 HG LEU 51 - HB3 LEU 62 far 0 93 0 - 8.8-11.6 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 7 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.1-2.7 3.1=100 QD2 LEU 86 + HB3 LEU 86 OK 70 70 100 100 2.1-3.2 3.1=100 QG2 ILE 89 - HB3 LEU 86 far 0 77 0 - 6.4-11.5 QD2 LEU 64 - HB3 LEU 62 far 0 99 0 - 6.6-8.0 QD2 LEU 64 - HB3 LEU 29 far 0 100 0 - 7.1-7.9 QD2 LEU 86 - HB3 LEU 62 far 0 93 0 - 7.9-34.4 QG2 ILE 89 - HB3 LEU 62 far 0 98 0 - 8.4-41.9 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 1.7-2.9 548=100, 546/1499=82...(12) H LYS 32 - HG LEU 29 far 0 97 0 - 5.2-5.9 Violated in 0 structures by 0.00 A. Peak 1498 from cnoeabs.peaks (4.16, 1.67, 26.82 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 100 100 3.6-3.7 3.7=100 HA ALA 30 + HG LEU 29 OK 53 71 75 100 3.6-5.3 3.0/83=59, 4842=41...(17) HB THR 15 - HG LEU 29 far 0 99 0 - 8.1-23.1 Violated in 0 structures by 0.00 A. Peak 1499 from cnoeabs.peaks (1.72, 1.67, 26.82 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.5-2.7 1487=86, 1.8/1500=53...(24) HB3 ARG 17 - HG LEU 29 far 0 65 0 - 7.2-19.0 HB3 LEU 64 - HG LEU 29 far 0 85 0 - 8.8-10.6 Violated in 20 structures by 0.27 A. Peak 1500 from cnoeabs.peaks (1.58, 1.67, 26.82 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.9-3.0 1494=97, 1.8/1499=70...(25) Violated in 20 structures by 0.34 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 - 6.1-7.0 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 5 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.5-4.1 549=100, 548/2.1=91...(12) H ALA 63 + QD1 LEU 62 OK 66 66 100 99 4.6-4.8 3.6/2600=59, 258/3.1=45...(13) H LYS 32 - QD1 LEU 29 far 14 97 15 - 4.8-6.2 H ALA 63 - QD1 LEU 86 far 0 63 0 - 7.7-34.1 H ASP 67 - QD1 LEU 62 far 0 78 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 1505 from cnoeabs.peaks (4.16, 0.88, 24.48 ppm; 3.55 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.4-4.1 1481=100, 1482/2.1=76...(23) HA ALA 30 + QD1 LEU 29 OK 52 71 75 97 2.5-5.2 3.0/84=37, 4842/2.1=29...(16) HA ALA 53 - QD1 LEU 62 lone 4 99 50 8 4.0-6.7 ~5951=5, 4543/5324=3 HA GLN 91 - QD1 LEU 86 far 0 61 0 - 4.7-15.2 HA ILE 89 - QD1 LEU 86 far 0 94 0 - 5.0-10.3 HA ARG 84 - QD1 LEU 86 far 0 68 0 - 5.9-8.9 HA ASN 49 - QD1 LEU 62 far 0 76 0 - 6.1-7.8 HB THR 15 - QD1 LEU 29 far 0 99 0 - 6.4-19.1 HA ALA 53 - QD1 LEU 86 far 0 97 0 - 6.9-43.3 HA ILE 89 - QD1 LEU 62 far 0 96 0 - 7.6-41.9 HA ASN 49 - QD1 LEU 86 far 0 73 0 - 8.8-40.2 HA ARG 84 - QD1 LEU 62 far 0 71 0 - 9.0-31.1 HA ARG 82 - QD1 LEU 86 far 0 85 0 - 9.2-14.0 HA GLN 91 - QD1 LEU 62 far 0 63 0 - 9.8-47.3 Violated in 14 structures by 0.09 A. Peak 1506 from cnoeabs.peaks (1.72, 0.88, 24.48 ppm; 2.99 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-3.1 3.1=89, 1499/2.1=76...(24) HB3 ARG 17 - QD1 LEU 29 far 0 65 0 - 4.1-15.5 HG3 ARG 66 - QD1 LEU 62 far 0 78 0 - 4.8-6.8 HB2 ARG 84 - QD1 LEU 86 far 0 93 0 - 5.0-8.7 HB3 LYS 85 - QD1 LEU 86 far 0 96 0 - 5.1-7.6 HB3 LYS 83 - QD1 LEU 86 far 0 98 0 - 6.5-11.3 HB2 ARG 84 - QD1 LEU 62 far 0 96 0 - 7.2-32.6 HG3 ARG 66 - QD1 LEU 86 far 0 76 0 - 7.4-34.2 HB2 ARG 82 - QD1 LEU 86 far 0 73 0 - 7.9-14.0 HB3 LEU 64 - QD1 LEU 62 far 0 83 0 - 8.5-9.1 HB3 LEU 64 - QD1 LEU 29 far 0 85 0 - 9.3-10.7 Violated in 5 structures by 0.03 A. Peak 1507 from cnoeabs.peaks (1.58, 0.88, 24.48 ppm; 2.76 A): 5 out of 16 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.0-2.8 3.1=70, 1500/2.1=61...(20) HB3 LEU 62 + QD1 LEU 62 OK 96 97 100 99 2.6-3.0 3.1=70, 3.0/2600=33...(24) 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 80 84 100 96 2.1-3.2 3.1=71, 3537/2.1=32...(19) HG2 ARG 84 - QD1 LEU 86 far 4 90 5 - 3.5-10.1 HG3 ARG 84 - QD1 LEU 86 far 0 90 0 - 4.5-10.1 HB3 LEU 86 - QD1 LEU 62 far 0 86 0 - 5.2-36.8 HG LEU 86 - QD1 LEU 62 far 0 85 0 - 5.5-37.9 HB3 LEU 62 - QD1 LEU 86 far 0 95 0 - 5.5-35.9 HG LEU 62 - QD1 LEU 86 far 0 89 0 - 6.0-37.4 HB3 LEU 51 - QD1 LEU 62 far 0 83 0 - 6.9-9.0 HG2 ARG 84 - QD1 LEU 62 far 0 93 0 - 7.6-31.8 HG3 ARG 54 - QD1 LEU 62 far 0 99 0 - 8.0-10.1 HG3 ARG 84 - QD1 LEU 62 far 0 93 0 - 8.5-33.2 HD3 LYS 39 - QD1 LEU 62 far 0 99 0 - 9.5-13.4 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 11 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 - 4.5-6.4 HG3 ARG 66 - QD1 LEU 62 far 0 78 0 - 4.8-6.8 HG2 ARG 23 - QD1 LEU 29 far 0 100 0 - 6.7-11.6 HB3 LYS 13 - QD1 LEU 29 far 0 99 0 - 7.1-19.9 HG3 ARG 66 - QD1 LEU 86 far 0 76 0 - 7.4-34.2 HB2 ARG 82 - QD1 LEU 86 far 0 78 0 - 7.9-14.0 HD3 LYS 13 - QD1 LEU 29 far 0 98 0 - 8.3-20.3 HB3 LEU 64 - QD1 LEU 62 far 0 74 0 - 8.5-9.1 HD2 LYS 13 - QD1 LEU 29 far 0 98 0 - 8.9-19.8 HB3 LEU 64 - QD1 LEU 29 far 0 76 0 - 9.3-10.7 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 8 assignments used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-2.1 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 5 97 5 - 3.3-10.6 QG2 ILE 89 - QD1 LEU 62 far 0 99 0 - 4.9-35.5 QD2 LEU 86 - QD1 LEU 62 far 0 94 0 - 5.8-30.9 QD2 LEU 64 - QD1 LEU 62 far 0 99 0 - 6.4-8.0 QD2 LEU 64 - QD1 LEU 29 far 0 100 0 - 6.7-7.5 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 8.4-9.8 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 3 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-3.3 550=100, 548/2.1=98...(18) H LYS 32 - QD2 LEU 29 far 10 97 10 - 5.2-6.5 H ALA 63 - QD2 LEU 86 far 0 53 0 - 9.7-33.8 Violated in 0 structures by 0.00 A. Peak 1512 from cnoeabs.peaks (4.16, 0.84, 23.57 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.5-4.1 1482=100, 1480/2.1=68...(32) HA ILE 89 - QD2 LEU 86 far 4 83 5 - 3.8-10.9 HA ALA 30 - QD2 LEU 29 far 0 71 0 - 4.9-5.9 HA ARG 84 - QD2 LEU 86 far 0 58 0 - 4.9-8.8 HB THR 15 - QD2 LEU 29 far 0 99 0 - 5.9-18.0 HA ARG 82 - QD2 LEU 86 far 0 74 0 - 6.9-14.7 HA GLN 91 - QD2 LEU 86 far 0 51 0 - 7.3-16.4 HA ASN 49 - QD2 LEU 86 far 0 62 0 - 8.4-38.5 HA ALA 53 - QD2 LEU 86 far 0 87 0 - 9.1-41.9 Violated in 7 structures by 0.16 A. Peak 1513 from cnoeabs.peaks (1.72, 0.84, 23.57 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 ARG 84 - QD2 LEU 86 far 0 82 0 - 4.4-9.5 HB3 LYS 85 - QD2 LEU 86 far 0 85 0 - 4.5-7.2 HB3 ARG 17 - QD2 LEU 29 far 0 65 0 - 5.1-14.1 HB3 LYS 83 - QD2 LEU 86 far 0 87 0 - 5.3-11.3 HB2 ARG 82 - QD2 LEU 86 far 0 62 0 - 5.9-13.9 HB3 LEU 64 - QD2 LEU 29 far 0 85 0 - 8.3-10.3 HG3 ARG 66 - QD2 LEU 86 far 0 64 0 - 9.5-32.6 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 8 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.7 3.1=100 HB3 LEU 86 + QD2 LEU 86 OK 72 72 100 100 2.1-3.2 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 8 78 10 - 3.0-10.0 HG2 ARG 84 - QD2 LEU 86 far 4 78 5 - 4.3-10.3 HB3 LEU 62 - QD2 LEU 86 far 0 84 0 - 7.9-34.4 HG LEU 62 - QD2 LEU 86 far 0 77 0 - 8.6-36.0 HD3 LYS 39 - QD2 LEU 29 far 0 100 0 - 9.2-13.6 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 - 5.9-13.9 HG2 ARG 23 - QD2 LEU 29 far 0 100 0 - 7.7-9.8 HB3 LEU 64 - QD2 LEU 29 far 0 76 0 - 8.3-10.3 HB3 GLN 61 - QD2 LEU 29 far 0 92 0 - 9.0-12.2 HG3 ARG 66 - QD2 LEU 86 far 0 64 0 - 9.5-32.6 HB3 LYS 13 - QD2 LEU 29 far 0 99 0 - 9.5-20.7 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 5 assignments used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-2.1 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 - 4.7-12.8 QD1 LEU 62 - QD2 LEU 86 far 0 85 0 - 5.8-30.9 QG2 VAL 90 - QD2 LEU 86 far 0 68 0 - 6.3-12.7 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 2.7-2.9 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 - 6.7-7.9 HG3 LYS 13 - HA ALA 30 far 0 97 0 - 7.5-26.3 HG2 LYS 13 - HA ALA 30 far 0 78 0 - 8.2-26.2 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 1 assignment used, quality = 1.00: * H ALA 30 + QB ALA 30 OK 100 100 100 100 2.2-2.2 2.9=100 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 2.6-3.0 4807=47, 3.0/5519=15...(8) HA LEU 29 - QB ALA 30 far 0 71 0 - 5.0-5.0 HA ARG 23 - QB ALA 30 far 0 98 0 - 6.6-9.7 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 - 6.0-9.1 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 2.6-3.0 3.0=100 HG13 ILE 68 - HA MET 31 far 0 96 0 - 9.8-11.7 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 2.4-3.0 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 2.2-3.8 4.2=100 HG2 GLN 61 - HA MET 31 far 4 73 5 - 4.8-8.0 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 2.3-3.8 1549=93, 1.8/1543=69...(12) HB2 GLN 61 - HA MET 31 far 0 100 0 - 6.5-9.2 Violated in 12 structures by 0.06 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 2.3-3.6 556=100, 557/1.8=74...(17) H GLN 61 - HB2 MET 31 far 0 71 0 - 6.3-8.8 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 2.6-3.0 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 3 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 - 8.8-11.3 HB2 GLU 25 - HB2 MET 31 far 0 89 0 - 9.3-11.9 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 2.2-3.0 3.0=100 HG2 GLN 61 - HB2 MET 31 far 0 73 0 - 4.8-7.6 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 2.2-2.7 3.0=100 HB2 GLN 61 - HB2 MET 31 far 0 100 0 - 5.7-8.3 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 4 assignments used, quality = 1.00: * H MET 31 + HB3 MET 31 OK 100 100 100 100 2.3-3.7 4.0=100 H GLN 61 - HB3 MET 31 far 7 71 10 - 4.8-8.5 H GLU 50 - HB3 PRO 44 far 0 33 0 - 7.4-8.0 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 2.4-3.0 3.0=100 HA THR 58 - HB3 MET 31 far 0 96 0 - 8.8-12.4 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 HB2 ARG 70 - HB VAL 76 far 0 48 0 - 4.9-15.0 HB3 ARG 70 - HB VAL 76 far 0 48 0 - 5.2-15.6 HG13 ILE 68 - HB3 MET 31 far 0 96 0 - 7.3-9.9 HG LEU 57 - HB3 MET 31 far 0 85 0 - 8.4-10.1 HB VAL 41 - HB VAL 76 far 0 63 0 - 9.0-17.0 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 2 assignments used, quality = 1.00: * HG2 MET 31 + HB3 MET 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 61 - HB3 MET 31 far 4 73 5 - 3.9-6.4 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 2.3-3.0 3.0=100 HB3 ASP 46 - HB3 PRO 44 poor 12 29 85 49 3.0-4.4 170/4431=25, 1.8/4440=9...(7) HB2 GLN 61 - HB3 MET 31 far 0 100 0 - 4.7-7.8 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 2.7-4.0 558=94, 559/1.8=77...(18) H GLN 61 - HG2 MET 31 far 0 71 0 - 6.0-9.3 Violated in 2 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (4.42, 2.63, 32.57 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 31 + HG2 MET 31 OK 100 100 100 100 2.2-3.8 1529/1.8=77, 4.2=71...(12) Violated in 3 structures by 0.01 A. Peak 1544 from cnoeabs.peaks (1.94, 2.63, 32.57 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 31 + HG2 MET 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG13 ILE 68 - HG2 MET 31 far 0 96 0 - 6.9-9.6 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 2 assignments used, quality = 1.00: * HB3 MET 31 + HG2 MET 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 25 - HG2 MET 31 far 0 90 0 - 9.9-11.3 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 - 6.3-9.4 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 2.4-4.0 559=100, 1542/1.8=78...(17) H GLN 61 - HG3 MET 31 far 0 71 0 - 6.2-9.0 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 2.3-3.8 1529=100, 1543/1.8=72...(12) Violated in 8 structures by 0.01 A. Peak 1550 from cnoeabs.peaks (1.94, 2.52, 32.57 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 31 + HG3 MET 31 OK 100 100 100 100 2.2-2.7 3.0=100 HG13 ILE 68 - HG3 MET 31 far 0 96 0 - 6.6-8.6 HB3 ARG 66 - HG3 MET 31 far 0 99 0 - 9.9-12.9 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 3 assignments used, quality = 1.00: * HB3 MET 31 + HG3 MET 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 25 - HG3 MET 31 far 0 90 0 - 9.5-11.1 HB2 GLU 25 - HG3 MET 31 far 0 89 0 - 9.7-11.1 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 - 6.0-8.8 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 - 5.2-7.0 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 2.3-2.8 3.0=100 * HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 13 - HA LYS 32 far 0 90 0 - 4.1-22.6 HB ILE 33 - HA LYS 32 far 0 100 0 - 4.7-5.3 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 6.6-23.8 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.1-8.2 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 7.3-8.6 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 2.3-2.8 3.0=100 HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 13 - HA LYS 32 far 0 90 0 - 4.1-22.6 HB ILE 33 - HA LYS 32 far 0 100 0 - 4.7-5.3 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 6.6-23.8 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.1-8.2 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 7.3-8.6 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 2.0-3.3 3.9=81, 1.8/1559=70...(30) QG2 THR 58 - HA LYS 32 far 0 60 0 - 7.1-11.4 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 2.8-3.8 1595=92, 1.8/1558=76...(30) QB ALA 28 - HA LYS 32 far 0 97 0 - 5.0-6.5 QG2 THR 58 - HA LYS 32 far 0 90 0 - 7.1-11.4 QB ALA 12 - HA LYS 32 far 0 100 0 - 7.5-24.1 Violated in 5 structures by 0.03 A. Peak 1560 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-5.1 3.0/1558=79, 3.0/1559=77...(44) HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-4.9 3.0/1558=79, 3.0/1559=77...(45) HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.3-25.3 HG3 ARG 17 - HA LYS 32 far 0 98 0 - 6.9-25.2 HG3 ARG 27 - HA LYS 32 far 0 78 0 - 9.1-12.0 HG2 ARG 27 - HA LYS 32 far 0 81 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-4.9 3.0/1558=79, 3.0/1559=77...(45) HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-5.1 3.0/1558=79, 3.0/1559=77...(44) HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.3-25.3 HG3 ARG 17 - HA LYS 32 far 0 99 0 - 6.9-25.2 HG3 ARG 27 - HA LYS 32 far 0 83 0 - 9.1-12.0 HG2 ARG 27 - HA LYS 32 far 0 85 0 - 9.4-11.8 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 3.2-3.8 4.0=100 H LYS 32 + HB3 LYS 32 OK 100 100 100 100 4.0-4.1 4.0=100 H LEU 29 - HB2 LYS 32 far 0 97 0 - 7.3-8.9 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.8-9.2 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.8-10.2 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 11 assignments used, quality = 1.00: HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-2.8 3.0=100 * HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.2-8.7 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 6.8-7.7 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.2-8.5 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 7.3-8.6 HA GLU 50 - HB3 ARG 84 far 0 42 0 - 7.6-44.6 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 8.0-10.3 HA ARG 66 - HB3 ARG 84 far 0 49 0 - 9.3-33.0 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.6-10.8 HA GLN 61 - HB2 PRO 34 far 0 58 0 - 9.9-11.1 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 2.5-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 3 60 5 - 4.6-10.1 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 5.8-10.3 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.0-10.6 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 8.0-10.4 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 8.8-12.2 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 16 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 - 4.6-10.1 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 5.8-10.3 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 6.0-25.7 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 7.0-8.1 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 7.0-7.8 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 7.0-26.5 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.8-9.0 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 8.0-11.5 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 8.0-10.4 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 8.8-12.2 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 9.0-10.6 HB2 LEU 52 - HB2 PRO 34 far 0 62 0 - 9.2-12.1 HB2 LEU 52 - HB3 ARG 84 far 0 47 0 - 9.3-39.9 QB ALA 12 - HB3 ARG 82 far 0 80 0 - 9.6-49.9 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 25 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 96 100 100 96 2.0-3.5 3.5=57, 1560/3.0=12...(48) * HD2 LYS 32 + HB2 LYS 32 OK 96 100 100 96 2.1-3.6 3.5=57, 1560/3.0=12...(47) HD3 LYS 32 + HB2 LYS 32 OK 77 100 80 96 2.1-4.1 3.5=57, 1560/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=57, 1560/3.0=12...(47) 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 38 38 100 99 2.5-3.0 3.0=93, 1.8/3394=21...(38) HB2 LEU 86 - HB3 ARG 84 far 2 48 5 - 3.3-10.0 HG LEU 86 - HB3 ARG 84 far 2 43 5 - 3.4-11.3 HG3 ARG 84 - HB3 ARG 82 far 0 65 0 - 4.4-9.6 HG2 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.2-9.8 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 32 0 - 7.3-37.6 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 7.5-11.4 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 7.5-10.8 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 8.6-28.0 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 8.8-11.9 HG3 ARG 27 - HB2 LYS 32 far 0 78 0 - 9.5-12.8 HG2 ARG 27 - HB2 LYS 32 far 0 81 0 - 9.8-12.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 9.9-16.4 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 24 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 96 100 100 96 2.0-3.5 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB2 LYS 32 OK 96 100 100 96 2.1-3.6 3.5=57, 1561/3.0=12...(47) * HD3 LYS 32 + HB2 LYS 32 OK 77 100 80 96 2.1-4.1 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=57, 1561/3.0=12...(47) 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, 1.8/3394=21...(38) HB2 LEU 86 - HB3 ARG 84 far 2 48 5 - 3.3-10.0 HG LEU 86 - HB3 ARG 84 far 2 41 5 - 3.4-11.3 HG3 ARG 84 - HB3 ARG 82 far 0 62 0 - 4.4-9.6 HG2 ARG 84 - HB3 ARG 82 far 0 62 0 - 5.2-9.8 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 29 0 - 7.3-37.6 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 7.5-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-28.0 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 8.8-11.9 HG3 ARG 27 - HB2 LYS 32 far 0 83 0 - 9.5-12.8 HG2 ARG 27 - HB2 LYS 32 far 0 85 0 - 9.8-12.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 9.9-16.4 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 3.2-3.8 4.0=100 * H LYS 32 + HB3 LYS 32 OK 100 100 100 100 4.0-4.1 4.0=100 H LEU 29 - HB2 LYS 32 far 0 97 0 - 7.3-8.9 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.8-9.2 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.8-10.2 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 11 assignments used, quality = 1.00: * HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-2.8 3.0=100 HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.2-8.7 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 6.8-7.7 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.2-8.5 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 7.3-8.6 HA GLU 50 - HB3 ARG 84 far 0 42 0 - 7.6-44.6 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 8.0-10.3 HA ARG 66 - HB3 ARG 84 far 0 49 0 - 9.3-33.0 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.6-10.8 HA GLN 61 - HB2 PRO 34 far 0 58 0 - 9.9-11.1 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 2.5-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 3 60 5 - 4.6-10.1 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 5.8-10.3 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.0-10.6 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 8.0-10.4 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 8.8-12.2 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 16 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 - 4.6-10.1 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 5.8-10.3 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 6.0-25.7 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 7.0-8.1 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 7.0-7.8 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 7.0-26.5 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.8-9.0 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 8.0-11.5 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 8.0-10.4 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 8.8-12.2 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 9.0-10.6 HB2 LEU 52 - HB2 PRO 34 far 0 62 0 - 9.2-12.1 HB2 LEU 52 - HB3 ARG 84 far 0 47 0 - 9.3-39.9 QB ALA 12 - HB3 ARG 82 far 0 80 0 - 9.6-49.9 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 25 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 96 100 100 96 2.0-3.5 3.5=57, 1560/3.0=12...(48) HD2 LYS 32 + HB2 LYS 32 OK 96 100 100 96 2.1-3.6 3.5=57, 1560/3.0=12...(47) HD3 LYS 32 + HB2 LYS 32 OK 77 100 80 96 2.1-4.1 3.5=57, 1560/3.0=12...(48) * HD2 LYS 32 + HB3 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=57, 1560/3.0=12...(47) 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 38 38 100 99 2.5-3.0 3.0=93, 1.8/3394=21...(38) HB2 LEU 86 - HB3 ARG 84 far 2 48 5 - 3.3-10.0 HG LEU 86 - HB3 ARG 84 far 2 43 5 - 3.4-11.3 HG3 ARG 84 - HB3 ARG 82 far 0 65 0 - 4.4-9.6 HG2 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.2-9.8 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 32 0 - 7.3-37.6 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 7.5-11.4 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 7.5-10.8 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 8.6-28.0 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 8.8-11.9 HG3 ARG 27 - HB2 LYS 32 far 0 78 0 - 9.5-12.8 HG2 ARG 27 - HB2 LYS 32 far 0 81 0 - 9.8-12.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 9.9-16.4 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 24 assignments used, quality = 1.00: * HD3 LYS 32 + HB3 LYS 32 OK 96 100 100 96 2.0-3.5 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB2 LYS 32 OK 96 100 100 96 2.1-3.6 3.5=57, 1561/3.0=12...(47) HD3 LYS 32 + HB2 LYS 32 OK 77 100 80 96 2.1-4.1 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=57, 1561/3.0=12...(47) 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, 1.8/3394=21...(38) HB2 LEU 86 - HB3 ARG 84 far 2 48 5 - 3.3-10.0 HG LEU 86 - HB3 ARG 84 far 2 41 5 - 3.4-11.3 HG3 ARG 84 - HB3 ARG 82 far 0 62 0 - 4.4-9.6 HG2 ARG 84 - HB3 ARG 82 far 0 62 0 - 5.2-9.8 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 29 0 - 7.3-37.6 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 7.5-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-28.0 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 8.8-11.9 HG3 ARG 27 - HB2 LYS 32 far 0 83 0 - 9.5-12.8 HG2 ARG 27 - HB2 LYS 32 far 0 85 0 - 9.8-12.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 9.9-16.4 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 2.6-4.0 564=100, 565/1.8=88...(16) H LEU 29 - HG2 LYS 32 far 0 97 0 - 6.4-8.1 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 2.0-3.3 3.9=100 HA GLN 61 - HG2 LYS 32 far 0 96 0 - 7.1-10.7 HA ALA 28 - HG2 LYS 32 far 0 85 0 - 7.1-7.6 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 2.5-3.0 2.9=100 HB2 LYS 13 - HG2 LYS 32 far 0 90 0 - 4.7-24.8 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 6.3-24.7 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 6.6-7.2 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 8.0-10.6 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 8.8-9.8 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 2.5-3.0 2.9=100 HB2 LYS 13 - HG2 LYS 32 far 0 90 0 - 4.7-24.8 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 6.3-24.7 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 6.6-7.2 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 8.0-10.6 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 8.8-9.8 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 - 6.4-7.8 QG2 THR 58 - HG2 LYS 32 far 0 90 0 - 6.6-12.0 QB ALA 12 - HG2 LYS 32 far 0 100 0 - 6.9-25.0 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 6 assignments used, quality = 1.00: * HD2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 98 0 - 5.8-26.0 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 7.4-26.0 HG3 ARG 27 - HG2 LYS 32 far 0 78 0 - 8.9-13.0 HG2 ARG 27 - HG2 LYS 32 far 0 81 0 - 9.2-12.5 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 6 assignments used, quality = 1.00: * HD3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 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 99 0 - 5.8-26.0 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 7.4-26.0 HG3 ARG 27 - HG2 LYS 32 far 0 83 0 - 8.9-13.0 HG2 ARG 27 - HG2 LYS 32 far 0 85 0 - 9.2-12.5 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 2.0-4.2 3.9=100 HE3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.0-4.2 3.9=100 HE2 LYS 13 - HG2 LYS 32 far 0 93 0 - 6.9-26.8 HE3 LYS 13 - HG2 LYS 32 far 0 95 0 - 7.8-25.4 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 2.0-4.2 3.9=100 HE2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.0-4.2 3.9=100 HE2 LYS 13 - HG2 LYS 32 far 0 95 0 - 6.9-26.8 HE3 LYS 13 - HG2 LYS 32 far 0 96 0 - 7.8-25.4 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 3.3-4.0 565=100, 564/1.8=84...(16) H LEU 29 - HG3 LYS 32 far 0 97 0 - 6.7-9.0 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 2.8-3.8 1559=100, 1558/1.8=79...(31) HA GLN 61 - HG3 LYS 32 far 0 96 0 - 6.6-11.1 HA ALA 28 - HG3 LYS 32 far 0 85 0 - 7.5-8.8 Violated in 4 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 - 5.9-25.5 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.6-8.1 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 7.8-26.0 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 8.4-10.0 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 9.0-10.6 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 - 5.9-25.5 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.6-8.1 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 7.8-26.0 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 8.4-10.0 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 9.0-10.6 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 - 5.3-11.8 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 5 assignments used, quality = 1.00: * HD2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-3.0 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 - 6.5-27.4 HG3 ARG 17 - HG3 LYS 32 far 0 98 0 - 6.9-27.5 HG3 ARG 27 - HG3 LYS 32 far 0 78 0 - 9.8-13.0 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 5 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 2.2-3.0 3.0=100 HG2 ARG 17 - HG3 LYS 32 far 0 99 0 - 6.5-27.4 HG3 ARG 17 - HG3 LYS 32 far 0 99 0 - 6.9-27.5 HG3 ARG 27 - HG3 LYS 32 far 0 83 0 - 9.8-13.0 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 2.2-4.0 3.9=100 HE3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-4.0 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 0 95 0 - 7.0-25.2 HE2 LYS 13 - HG3 LYS 32 far 0 93 0 - 7.4-25.9 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 2.2-4.0 3.9=100 HE2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-4.0 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 0 96 0 - 7.0-25.2 HE2 LYS 13 - HG3 LYS 32 far 0 95 0 - 7.4-25.9 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 3 out of 12 assignments used, quality = 1.00: H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.6-5.7 565/3.0=85, 564/3.0=81...(17) * H LYS 32 + HD2 LYS 32 OK 90 100 90 100 4.6-5.9 565/3.0=85, 564/3.0=81...(17) H ARG 70 + HG2 ARG 71 OK 65 91 85 84 3.8-6.0 303/5.0=56, 771=32...(10) H VAL 76 - HD2 LYS 73 poor 17 85 20 - 3.8-12.5 H VAL 76 - HD3 LYS 73 poor 10 85 25 46 4.0-12.4 5431/5.2=37, 341/3.5=8 H ASP 67 - HG2 ARG 71 far 5 94 5 - 5.6-8.4 H VAL 76 - HG2 ARG 71 far 0 80 0 - 5.8-15.5 H ARG 70 - HD3 LYS 73 far 0 96 0 - 6.2-9.2 H ARG 70 - HD2 LYS 73 far 0 96 0 - 6.2-9.3 H LEU 29 - HD3 LYS 32 far 0 96 0 - 8.0-10.6 H LEU 29 - HD2 LYS 32 far 0 97 0 - 8.9-10.3 H LEU 29 - HG2 ARG 71 far 0 93 0 - 9.7-16.1 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.37 A): 2 out of 22 assignments used, quality = 1.00: * HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.4-5.1 1558/3.0=76, 1559/3.0=75...(44) HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-4.9 1558/3.0=76, 1559/3.0=75...(45) HA VAL 76 - HD3 LYS 73 poor 20 98 20 - 3.4-13.4 HA2 GLY 72 - HG2 ARG 71 poor 18 89 20 - 3.5-6.9 HA ARG 70 - HG2 ARG 71 poor 17 66 25 - 5.1-7.1 HA ARG 70 - HD2 LYS 73 poor 15 71 40 54 4.4-7.8 5987/792=25...(3) HA VAL 76 - HD2 LYS 73 far 15 98 15 - 4.5-14.0 HA ARG 70 - HD3 LYS 73 far 11 71 15 - 4.2-7.7 HA2 GLY 72 - HD3 LYS 73 far 9 93 10 - 4.3-8.9 HA2 GLY 72 - HD2 LYS 73 far 5 93 5 - 4.4-8.2 HA3 GLY 21 - HG2 ARG 71 far 0 64 0 - 5.8-19.5 HA2 GLY 21 - HG2 ARG 71 far 0 66 0 - 6.7-18.6 HA GLN 61 - HD2 LYS 32 far 0 96 0 - 7.1-11.4 HA ARG 66 - HG2 ARG 71 far 0 98 0 - 7.5-10.0 HA GLN 61 - HD3 LYS 32 far 0 95 0 - 7.6-11.8 HA VAL 76 - HG2 ARG 71 far 0 94 0 - 7.7-15.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.2-12.9 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.9-12.7 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.9-10.2 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.9-10.2 HA ALA 28 - HG2 ARG 71 far 0 80 0 - 9.1-14.2 HA ARG 66 - HD3 LYS 39 far 0 63 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1606 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 9 out of 44 assignments used, quality = 1.00: * HB2 LYS 32 + HD2 LYS 32 OK 93 100 100 93 2.1-3.6 3.5=47, 1581/1.8=11...(38) HB3 LYS 32 + HD3 LYS 32 OK 93 100 100 93 2.0-3.5 3.5=47, 1.8/1571=11...(38) HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD3 LYS 73 OK 73 100 90 82 2.8-3.7 3.5=45, 3.0/3019=13...(28) HB3 LYS 32 + HD2 LYS 32 OK 69 100 75 93 2.0-3.9 3.5=47, 1.8/1581=14...(38) HB3 LYS 73 + HD2 LYS 73 OK 62 100 75 83 2.0-4.2 3.5=45, 788/791=14...(28) HB2 LYS 32 + HD3 LYS 32 OK 60 100 65 93 2.1-4.1 3.5=47, 1.8/1571=14...(38) HB3 LYS 39 + HD3 LYS 39 OK 53 59 95 95 2.2-3.7 3.5=45, 2.9/1868=15...(37) HB3 LYS 39 + HD2 LYS 39 OK 52 61 90 94 2.3-3.9 3.5=45, 2.9/1868=15...(35) HB3 LYS 75 - HD2 LYS 73 far 5 93 5 - 3.6-12.7 HB2 LYS 13 - HD2 LYS 32 far 5 90 5 - 3.2-25.8 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 3.6-11.8 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 53 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 6.4-15.2 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.4-9.4 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 7.4-22.9 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 7.5-10.1 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 7.5-10.7 HG3 ARG 26 - HG2 ARG 71 far 0 66 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.6-9.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.6-26.1 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 7.6-11.2 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 7.7-27.5 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 31 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.7-11.1 HB3 ARG 17 - HD2 LYS 39 far 0 31 0 - 8.8-22.5 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 60 0 - 9.3-14.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 9 out of 44 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 93 100 100 93 2.1-3.6 3.5=47, 1581/1.8=11...(38) HB3 LYS 32 + HD3 LYS 32 OK 93 100 100 93 2.0-3.5 3.5=47, 1.8/1571=11...(38) HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD3 LYS 73 OK 73 100 90 82 2.8-3.7 3.5=45, 3.0/3019=13...(28) * HB3 LYS 32 + HD2 LYS 32 OK 69 100 75 93 2.0-3.9 3.5=47, 1.8/1581=14...(38) HB3 LYS 73 + HD2 LYS 73 OK 62 100 75 83 2.0-4.2 3.5=45, 788/791=14...(28) HB2 LYS 32 + HD3 LYS 32 OK 60 100 65 93 2.1-4.1 3.5=47, 1.8/1571=14...(38) HB3 LYS 39 + HD3 LYS 39 OK 53 59 95 95 2.2-3.7 3.5=45, 2.9/1868=15...(37) HB3 LYS 39 + HD2 LYS 39 OK 52 61 90 94 2.3-3.9 3.5=45, 2.9/1868=15...(35) HB3 LYS 75 - HD2 LYS 73 far 5 93 5 - 3.6-12.7 HB2 LYS 13 - HD2 LYS 32 far 5 90 5 - 3.2-25.8 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 3.6-11.8 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 53 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 6.4-15.2 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.4-9.4 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 7.4-22.9 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 7.5-10.1 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 7.5-10.7 HG3 ARG 26 - HG2 ARG 71 far 0 66 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.6-9.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.6-26.1 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 7.6-11.2 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 7.7-27.5 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 31 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.7-11.1 HB3 ARG 17 - HD2 LYS 39 far 0 31 0 - 8.8-22.5 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 60 0 - 9.3-14.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.8-12.4 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 2.3-3.0 3.0=100 HG2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 QG2 THR 58 - HD2 LYS 32 far 0 60 0 - 5.8-11.3 QG2 THR 58 - HD3 LYS 32 far 0 60 0 - 6.7-11.9 HG2 ARG 54 - HD3 LYS 39 far 0 40 0 - 9.0-12.3 HG2 ARG 54 - HD2 LYS 39 far 0 42 0 - 9.2-12.0 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 19 assignments used, quality = 1.00: * HG3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 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 6 63 10 - 4.1-7.7 HB2 LEU 51 - HD3 LYS 39 far 6 60 10 - 4.4-8.1 QB ALA 12 - HD2 LYS 32 far 5 100 5 - 4.9-26.6 QB ALA 12 - HD3 LYS 32 far 0 100 0 - 5.2-25.3 QG2 THR 58 - HD2 LYS 32 far 0 90 0 - 5.8-11.3 QG2 THR 58 - HD3 LYS 32 far 0 90 0 - 6.7-11.9 QB ALA 28 - HG2 ARG 71 far 0 94 0 - 6.8-12.0 QB ALA 12 - HD2 LYS 39 far 0 65 0 - 7.0-28.2 QB ALA 28 - HD3 LYS 39 far 0 58 0 - 7.1-9.1 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 7.8-9.8 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 8.1-9.8 QB ALA 28 - HD2 LYS 39 far 0 61 0 - 8.1-9.9 QB ALA 12 - HD3 LYS 39 far 0 62 0 - 8.4-26.7 HG2 ARG 54 - HD3 LYS 39 far 0 42 0 - 9.0-12.3 HB2 LEU 52 - HD3 LYS 39 far 0 60 0 - 9.1-13.3 HG2 ARG 54 - HD2 LYS 39 far 0 44 0 - 9.2-12.0 HB2 LEU 52 - HD2 LYS 39 far 0 63 0 - 9.9-13.4 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 33 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 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 37 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 10.0-29.2 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 33 assignments used, quality = 1.00: * HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 96 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 94 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 96 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 95 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 52 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 55 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 58 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 57 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 39 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 71 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 56 0 - 10.0-29.2 Violated in 0 structures by 0.00 A. Peak 1614 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.6-5.7 565/3.0=85, 564/3.0=81...(17) H LYS 32 + HD2 LYS 32 OK 90 100 90 100 4.6-5.9 565/3.0=85, 564/3.0=81...(17) H ARG 70 + HG2 ARG 71 OK 66 93 85 84 3.8-6.0 303/5.0=56, 771=32...(10) H VAL 76 - HD2 LYS 73 poor 17 85 20 - 3.8-12.5 H VAL 76 - HD3 LYS 73 poor 10 85 25 46 4.0-12.4 5431/5.2=37, 341/3.5=8 H ASP 67 - HG2 ARG 71 far 5 95 5 - 5.6-8.4 H VAL 76 - HG2 ARG 71 far 0 82 0 - 5.8-15.5 H ARG 70 - HD3 LYS 73 far 0 95 0 - 6.2-9.2 H ARG 70 - HD2 LYS 73 far 0 95 0 - 6.2-9.3 H LEU 29 - HD3 LYS 32 far 0 97 0 - 8.0-10.6 H LEU 29 - HD2 LYS 32 far 0 96 0 - 8.9-10.3 H LEU 29 - HG2 ARG 71 far 0 94 0 - 9.7-16.1 Violated in 0 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.37 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-4.9 1558/3.0=76, 1559/3.0=75...(45) HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.4-5.1 1558/3.0=76, 1559/3.0=75...(44) HA VAL 76 - HD3 LYS 73 poor 20 98 20 - 3.4-13.4 HA2 GLY 72 - HG2 ARG 71 poor 18 90 20 - 3.5-6.9 HA ARG 70 - HG2 ARG 71 poor 17 68 25 - 5.1-7.1 HA ARG 70 - HD2 LYS 73 poor 15 71 40 54 4.4-7.8 5987/792=25...(3) HA VAL 76 - HD2 LYS 73 far 15 98 15 - 4.5-14.0 HA ARG 70 - HD3 LYS 73 far 11 71 15 - 4.2-7.7 HA2 GLY 72 - HD3 LYS 73 far 9 93 10 - 4.3-8.9 HA2 GLY 72 - HD2 LYS 73 far 5 93 5 - 4.4-8.2 HA3 GLY 21 - HG2 ARG 71 far 0 65 0 - 5.8-19.5 HA2 GLY 21 - HG2 ARG 71 far 0 68 0 - 6.7-18.6 HA GLN 61 - HD2 LYS 32 far 0 95 0 - 7.1-11.4 HA ARG 66 - HG2 ARG 71 far 0 99 0 - 7.5-10.0 HA GLN 61 - HD3 LYS 32 far 0 96 0 - 7.6-11.8 HA VAL 76 - HG2 ARG 71 far 0 96 0 - 7.7-15.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.2-12.9 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.9-12.7 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.9-10.2 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.9-10.2 HA ALA 28 - HG2 ARG 71 far 0 82 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 8 out of 35 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 93 100 100 93 2.1-3.6 3.5=47, 1581/1.8=11...(38) HB3 LYS 32 + HD3 LYS 32 OK 93 100 100 93 2.0-3.5 3.5=47, 1.8/1571=11...(38) HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD3 LYS 73 OK 73 100 90 82 2.8-3.7 3.5=45, 3.0/3019=13...(28) HB3 LYS 32 + HD2 LYS 32 OK 69 100 75 93 2.0-3.9 3.5=47, 1.8/1581=14...(38) HB3 LYS 73 + HD2 LYS 73 OK 62 100 75 83 2.0-4.2 3.5=45, 788/791=14...(28) * HB2 LYS 32 + HD3 LYS 32 OK 60 100 65 93 2.1-4.1 3.5=47, 1.8/1571=14...(38) HB3 LYS 39 + HD2 LYS 39 OK 47 56 90 93 2.3-3.9 3.5=45, 2.9/1868=14...(35) HB3 LYS 75 - HD2 LYS 73 far 5 93 5 - 3.6-12.7 HB2 LYS 13 - HD2 LYS 32 far 5 90 5 - 3.2-25.8 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 3.6-11.8 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 49 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 6.4-15.2 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.4-9.4 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 7.5-10.1 HG3 ARG 26 - HG2 ARG 71 far 0 68 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.6-9.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.6-26.1 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 7.7-27.5 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 8.0-11.0 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 8.6-12.5 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.7-11.1 HB3 ARG 17 - HD2 LYS 39 far 0 28 0 - 8.8-22.5 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 8.9-13.1 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1617 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 8 out of 35 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 93 100 100 93 2.1-3.6 3.5=47, 1581/1.8=11...(38) * HB3 LYS 32 + HD3 LYS 32 OK 93 100 100 93 2.0-3.5 3.5=47, 1.8/1571=11...(38) HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD3 LYS 73 OK 73 100 90 82 2.8-3.7 3.5=45, 3.0/3019=13...(28) HB3 LYS 32 + HD2 LYS 32 OK 69 100 75 93 2.0-3.9 3.5=47, 1.8/1581=14...(38) HB3 LYS 73 + HD2 LYS 73 OK 62 100 75 83 2.0-4.2 3.5=45, 788/791=14...(28) HB2 LYS 32 + HD3 LYS 32 OK 60 100 65 93 2.1-4.1 3.5=47, 1.8/1571=14...(38) HB3 LYS 39 + HD2 LYS 39 OK 47 56 90 93 2.3-3.9 3.5=45, 2.9/1868=14...(35) HB3 LYS 75 - HD2 LYS 73 far 5 93 5 - 3.6-12.7 HB2 LYS 13 - HD2 LYS 32 far 5 90 5 - 3.2-25.8 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 3.6-11.8 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 49 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 6.4-15.2 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.4-9.4 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 7.5-10.1 HG3 ARG 26 - HG2 ARG 71 far 0 68 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.6-9.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.6-26.1 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 7.7-27.5 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 8.0-11.0 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 8.6-12.5 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.7-11.1 HB3 ARG 17 - HD2 LYS 39 far 0 28 0 - 8.8-22.5 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 8.9-13.1 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.8-12.4 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 2.2-3.0 3.0=100 HG2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 58 - HD2 LYS 32 far 0 60 0 - 5.8-11.3 QG2 THR 58 - HD3 LYS 32 far 0 60 0 - 6.7-11.9 HG2 ARG 54 - HD2 LYS 39 far 0 38 0 - 9.2-12.0 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 14 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 2.2-3.0 3.0=100 HB2 LEU 51 - HD2 LYS 39 far 6 58 10 - 4.1-7.7 QB ALA 12 - HD2 LYS 32 far 5 100 5 - 4.9-26.6 QB ALA 12 - HD3 LYS 32 far 0 100 0 - 5.2-25.3 QG2 THR 58 - HD2 LYS 32 far 0 90 0 - 5.8-11.3 QG2 THR 58 - HD3 LYS 32 far 0 90 0 - 6.7-11.9 QB ALA 28 - HG2 ARG 71 far 0 95 0 - 6.8-12.0 QB ALA 12 - HD2 LYS 39 far 0 59 0 - 7.0-28.2 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 7.8-9.8 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 8.1-9.8 QB ALA 28 - HD2 LYS 39 far 0 55 0 - 8.1-9.9 HG2 ARG 54 - HD2 LYS 39 far 0 40 0 - 9.2-12.0 HB2 LEU 52 - HD2 LYS 39 far 0 58 0 - 9.9-13.4 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 28 assignments used, quality = 1.00: * HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.6-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 34 34 100 100 2.4-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 97 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 94 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 95 0 - 7.0-25.0 HB3 TYR 55 - HD2 LYS 39 far 0 51 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 52 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 51 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 60 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 34 0 - 9.8-35.5 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 9.9-22.8 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 28 assignments used, quality = 1.00: * HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 38 38 100 100 2.6-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 35 35 100 100 2.4-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 98 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 94 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 95 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 96 0 - 7.0-25.0 HB3 TYR 55 - HD2 LYS 39 far 0 50 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 53 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 52 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 60 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 35 0 - 9.8-35.5 HB3 TYR 81 - HD2 LYS 73 far 0 71 0 - 9.9-22.8 Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 55 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 89 100 90 99 2.2-4.5 4.6=47, 2.9/1628=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 79 100 80 99 2.1-4.9 4.6=47, 2.9/1628=27...(43) * HB2 LYS 32 + HE2 LYS 32 OK 64 100 65 99 2.8-5.3 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 59 100 60 99 2.7-5.1 4.6=47, 2.9/1628=27...(43) HB3 LYS 39 + HE3 LYS 39 OK 57 64 90 98 3.0-5.0 4.7=44, ~1906=17...(38) HB3 LYS 73 + HE3 LYS 73 OK 57 100 60 94 2.0-4.8 4.7=44, ~3020=19...(30) HB2 LYS 13 + HE2 LYS 13 OK 54 76 75 94 2.4-4.8 5.2=32, 3.0/1074=15...(29) HB3 LYS 73 + HE2 LYS 73 OK 47 100 50 94 2.9-5.4 4.7=44, ~3020=19...(30) HB3 LYS 75 + HE3 LYS 75 OK 44 91 50 97 2.5-5.2 5.0=37, ~3128=18...(36) HB3 LYS 75 + HE2 LYS 75 OK 44 90 50 97 2.0-5.2 5.0=37, ~3128=18...(36) HB2 LYS 13 + HE3 LYS 13 OK 41 78 55 95 2.0-5.1 5.2=32, 3.0/1074=15...(37) HB3 LYS 39 - HE2 LYS 39 poor 14 69 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 93 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 88 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 87 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.1-12.9 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.1-26.0 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 5.8-10.7 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 6.0-27.3 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 75 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.5 HB3 ARG 17 - HE2 LYS 39 far 0 35 0 - 8.1-22.6 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 56 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 91 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 60 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 37 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 34 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 71 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 66 0 - 9.5-15.8 HB3 ARG 17 - HE3 LYS 39 far 0 32 0 - 9.7-23.6 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 57 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 55 assignments used, quality = 1.00: * HB3 LYS 32 + HE2 LYS 32 OK 89 100 90 99 2.2-4.5 4.6=47, 2.9/1628=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 79 100 80 99 2.1-4.9 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 64 100 65 99 2.8-5.3 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 59 100 60 99 2.7-5.1 4.6=47, 2.9/1628=27...(43) HB3 LYS 39 + HE3 LYS 39 OK 57 64 90 98 3.0-5.0 4.7=44, ~1906=17...(38) HB3 LYS 73 + HE3 LYS 73 OK 57 100 60 94 2.0-4.8 4.7=44, ~3020=19...(30) HB2 LYS 13 + HE2 LYS 13 OK 54 76 75 94 2.4-4.8 5.2=32, 3.0/1074=15...(29) HB3 LYS 73 + HE2 LYS 73 OK 47 100 50 94 2.9-5.4 4.7=44, ~3020=19...(30) HB3 LYS 75 + HE3 LYS 75 OK 44 91 50 97 2.5-5.2 5.0=37, ~3128=18...(36) HB3 LYS 75 + HE2 LYS 75 OK 44 90 50 97 2.0-5.2 5.0=37, ~3128=18...(36) HB2 LYS 13 + HE3 LYS 13 OK 41 78 55 95 2.0-5.1 5.2=32, 3.0/1074=15...(37) HB3 LYS 39 - HE2 LYS 39 poor 14 69 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 93 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 88 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 87 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.1-12.9 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.1-26.0 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 5.8-10.7 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 6.0-27.3 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 75 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.5 HB3 ARG 17 - HE2 LYS 39 far 0 35 0 - 8.1-22.6 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 56 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 91 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 60 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 37 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 34 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 71 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 66 0 - 9.5-15.8 HB3 ARG 17 - HE3 LYS 39 far 0 32 0 - 9.7-23.6 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 57 0 - 10.0-18.7 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 = 1.00: HG2 LYS 32 + HE3 LYS 32 OK 99 100 100 99 2.0-4.2 3.9=84, 1.8/1629=37...(49) * HG2 LYS 32 + HE2 LYS 32 OK 99 100 100 99 2.0-4.2 3.9=84, 1.8/1629=37...(49) QG2 THR 58 - HE3 LYS 32 far 0 60 0 - 5.9-12.9 HG2 LYS 32 - HE2 LYS 13 far 0 90 0 - 6.9-26.8 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 6.9-12.7 HG2 ARG 54 - HE3 LYS 39 far 0 44 0 - 7.5-12.3 HG2 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.8-25.4 QG2 THR 58 - HE3 LYS 13 far 0 49 0 - 8.3-26.5 HG2 ARG 54 - HE2 LYS 39 far 0 48 0 - 8.5-12.4 QG2 THR 58 - HE2 LYS 13 far 0 48 0 - 9.1-27.6 Violated in 0 structures by 0.00 A. Peak 1629 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.43 A): 2 out of 24 assignments used, quality = 1.00: HG3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.2-4.0 3.9=69, 1.8/1628=33...(49) * HG3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.2-4.0 3.9=69, 1.8/1628=33...(49) HB2 LEU 51 - HE3 LYS 39 poor 16 66 50 48 3.8-9.2 ~6088=11, ~4948=10...(8) QB ALA 12 - HE3 LYS 32 far 5 100 5 - 3.7-26.2 QB ALA 12 - HE2 LYS 13 far 4 89 5 - 4.1-7.9 QB ALA 12 - HE3 LYS 13 far 0 90 0 - 4.7-8.1 QB ALA 12 - HE2 LYS 32 far 0 100 0 - 4.7-26.5 HB2 LEU 51 - HE2 LYS 39 far 0 71 0 - 5.0-9.2 QG2 THR 58 - HE3 LYS 32 far 0 90 0 - 5.9-12.9 QB ALA 28 - HE2 LYS 39 far 0 68 0 - 6.8-10.6 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 6.9-12.7 HG3 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.0-25.2 HG3 LYS 32 - HE2 LYS 13 far 0 90 0 - 7.4-25.9 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.5-12.3 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.9-10.8 QB ALA 12 - HE3 LYS 39 far 0 67 0 - 8.0-28.4 QB ALA 28 - HE3 LYS 39 far 0 63 0 - 8.1-10.4 QG2 THR 58 - HE3 LYS 13 far 0 78 0 - 8.3-26.5 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 8.4-10.7 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 8.5-12.4 QG2 THR 58 - HE2 LYS 13 far 0 76 0 - 9.1-27.6 QB ALA 12 - HE2 LYS 39 far 0 73 0 - 9.3-27.0 HB2 LEU 52 - HE3 LYS 39 far 0 66 0 - 9.3-14.3 HB2 LEU 52 - HE2 LYS 39 far 0 71 0 - 9.4-14.4 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 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) * HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 76 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 97 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 10.0-29.2 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 44 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) * HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 32 37 100 87 2.6-3.0 3.0=71, 1886/3.6=10...(23) HD2 LYS 39 + HE3 LYS 39 OK 30 34 100 88 2.4-3.0 3.0=71, 1886/3.6=10...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 71 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 71 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 49 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 48 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 72 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 94 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 83 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 60 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 66 0 - 9.8-24.4 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.9-17.8 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 28 assignments used, quality = 0.98: * HA LYS 32 + HE3 LYS 32 OK 90 100 90 100 3.7-6.0 1558/3.9=73, 1559/3.9=71...(37) HA LYS 32 + HE2 LYS 32 OK 85 100 85 100 4.3-5.9 1558/3.9=73, 1559/3.9=71...(37) HA ARG 70 - HE2 LYS 73 far 11 71 15 - 4.8-8.5 HA ARG 70 - HE3 LYS 73 far 11 71 15 - 3.7-9.1 HA VAL 76 - HE3 LYS 73 far 5 98 5 - 4.9-15.2 HA VAL 76 - HE3 LYS 75 far 5 97 5 - 3.9-9.1 HA VAL 76 - HE2 LYS 75 far 5 96 5 - 5.1-8.9 HA ARG 70 - HE2 LYS 75 far 3 68 5 - 5.1-14.8 HA2 GLY 21 - HE2 LYS 75 far 0 68 0 - 5.8-28.8 HA2 GLY 72 - HE2 LYS 73 far 0 93 0 - 5.9-9.1 HA2 GLY 72 - HE3 LYS 73 far 0 93 0 - 6.1-8.7 HA VAL 76 - HE2 LYS 73 far 0 98 0 - 6.2-14.8 HA3 GLY 21 - HE2 LYS 75 far 0 66 0 - 6.3-28.8 HA ARG 70 - HE3 LYS 75 far 0 69 0 - 6.5-14.0 HA2 GLY 72 - HE3 LYS 75 far 0 92 0 - 6.7-13.6 HA2 GLY 21 - HE3 LYS 75 far 0 69 0 - 7.3-30.2 HA LYS 32 - HE2 LYS 13 far 0 91 0 - 7.4-24.7 HA GLN 61 - HE3 LYS 32 far 0 96 0 - 7.4-13.3 HA GLN 61 - HE2 LYS 32 far 0 96 0 - 7.6-13.5 HA2 GLY 72 - HE2 LYS 75 far 0 91 0 - 7.6-14.2 HA3 GLY 21 - HE3 LYS 75 far 0 66 0 - 7.6-29.6 HA ARG 66 - HE3 LYS 73 far 0 100 0 - 8.5-13.8 HA ALA 28 - HE2 LYS 32 far 0 85 0 - 8.6-11.4 HA ARG 66 - HE2 LYS 73 far 0 100 0 - 8.9-12.3 HA LYS 32 - HE3 LYS 13 far 0 93 0 - 8.9-23.5 HA ALA 28 - HE3 LYS 32 far 0 85 0 - 9.1-11.3 HA ALA 28 - HE2 LYS 39 far 0 58 0 - 9.4-14.0 HA GLU 50 - HE3 LYS 39 far 0 62 0 - 9.8-13.2 Violated in 1 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 55 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 89 100 90 99 2.2-4.5 4.6=47, 2.9/1638=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 79 100 80 99 2.1-4.9 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 64 100 65 99 2.8-5.3 4.6=47, 2.9/1638=27...(43) * HB2 LYS 32 + HE3 LYS 32 OK 59 100 60 99 2.7-5.1 4.6=47, 2.9/1638=27...(43) HB3 LYS 39 + HE3 LYS 39 OK 59 67 90 98 3.0-5.0 4.7=44, ~1906=17...(39) HB3 LYS 73 + HE3 LYS 73 OK 56 100 60 94 2.0-4.8 4.7=44, ~3020=19...(30) HB2 LYS 13 + HE2 LYS 13 OK 55 78 75 94 2.4-4.8 5.2=32, 3.0/1074=15...(29) HB3 LYS 73 + HE2 LYS 73 OK 47 100 50 94 2.9-5.4 4.7=44, ~3020=19...(30) HB3 LYS 75 + HE3 LYS 75 OK 44 92 50 97 2.5-5.2 5.0=37, ~3128=18...(36) HB3 LYS 75 + HE2 LYS 75 OK 44 91 50 97 2.0-5.2 5.0=37, ~3128=18...(36) HB2 LYS 13 + HE3 LYS 13 OK 41 79 55 95 2.0-5.1 5.2=32, 3.0/1074=16...(37) HB3 LYS 39 - HE2 LYS 39 poor 14 72 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 93 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 89 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 88 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.1-12.9 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.1-26.0 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 5.8-10.7 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 6.0-27.3 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 76 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.5 HB3 ARG 17 - HE2 LYS 39 far 0 37 0 - 8.1-22.6 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 93 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 38 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 35 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 73 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 68 0 - 9.5-15.8 HB3 ARG 17 - HE3 LYS 39 far 0 34 0 - 9.7-23.6 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 58 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 55 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 89 100 90 99 2.2-4.5 4.6=47, 2.9/1638=27...(43) * HB3 LYS 32 + HE3 LYS 32 OK 79 100 80 99 2.1-4.9 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 64 100 65 99 2.8-5.3 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 59 100 60 99 2.7-5.1 4.6=47, 2.9/1638=27...(43) HB3 LYS 39 + HE3 LYS 39 OK 59 67 90 98 3.0-5.0 4.7=44, ~1906=17...(39) HB3 LYS 73 + HE3 LYS 73 OK 56 100 60 94 2.0-4.8 4.7=44, ~3020=19...(30) HB2 LYS 13 + HE2 LYS 13 OK 55 78 75 94 2.4-4.8 5.2=32, 3.0/1074=15...(29) HB3 LYS 73 + HE2 LYS 73 OK 47 100 50 94 2.9-5.4 4.7=44, ~3020=19...(30) HB3 LYS 75 + HE3 LYS 75 OK 44 92 50 97 2.5-5.2 5.0=37, ~3128=18...(36) HB3 LYS 75 + HE2 LYS 75 OK 44 91 50 97 2.0-5.2 5.0=37, ~3128=18...(36) HB2 LYS 13 + HE3 LYS 13 OK 41 79 55 95 2.0-5.1 5.2=32, 3.0/1074=16...(37) HB3 LYS 39 - HE2 LYS 39 poor 14 72 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 93 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 89 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 88 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.1-12.9 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.1-26.0 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 5.8-10.7 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 6.0-27.3 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 76 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.5 HB3 ARG 17 - HE2 LYS 39 far 0 37 0 - 8.1-22.6 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 93 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 38 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 35 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 73 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 68 0 - 9.5-15.8 HB3 ARG 17 - HE3 LYS 39 far 0 34 0 - 9.7-23.6 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 58 0 - 10.0-18.7 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 = 1.00: * HG2 LYS 32 + HE3 LYS 32 OK 99 100 100 99 2.0-4.2 3.9=84, 1.8/1629=37...(49) HG2 LYS 32 + HE2 LYS 32 OK 99 100 100 99 2.0-4.2 3.9=84, 1.8/1629=37...(49) QG2 THR 58 - HE3 LYS 32 far 0 60 0 - 5.9-12.9 HG2 LYS 32 - HE2 LYS 13 far 0 91 0 - 6.9-26.8 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 6.9-12.7 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.5-12.3 HG2 LYS 32 - HE3 LYS 13 far 0 93 0 - 7.8-25.4 QG2 THR 58 - HE3 LYS 13 far 0 50 0 - 8.3-26.5 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 8.5-12.4 QG2 THR 58 - HE2 LYS 13 far 0 49 0 - 9.1-27.6 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.43 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.2-4.0 3.9=69, 1.8/1638=33...(49) HG3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.2-4.0 3.9=69, 1.8/1638=33...(49) HB2 LEU 51 - HE3 LYS 39 poor 17 68 50 49 3.8-9.2 ~6088=11, ~4948=10...(8) QB ALA 12 - HE3 LYS 32 far 5 100 5 - 3.7-26.2 QB ALA 12 - HE2 LYS 13 far 5 90 5 - 4.1-7.9 QB ALA 12 - HE3 LYS 13 far 0 92 0 - 4.7-8.1 QB ALA 12 - HE2 LYS 32 far 0 100 0 - 4.7-26.5 HB2 LEU 51 - HE2 LYS 39 far 0 73 0 - 5.0-9.2 QG2 THR 58 - HE3 LYS 32 far 0 90 0 - 5.9-12.9 QB ALA 28 - HE2 LYS 39 far 0 71 0 - 6.8-10.6 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 6.9-12.7 HG3 LYS 32 - HE3 LYS 13 far 0 93 0 - 7.0-25.2 HG3 LYS 32 - HE2 LYS 13 far 0 91 0 - 7.4-25.9 HG2 ARG 54 - HE3 LYS 39 far 0 48 0 - 7.5-12.3 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.9-10.8 QB ALA 12 - HE3 LYS 39 far 0 70 0 - 8.0-28.4 QB ALA 28 - HE3 LYS 39 far 0 66 0 - 8.1-10.4 QG2 THR 58 - HE3 LYS 13 far 0 79 0 - 8.3-26.5 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 8.4-10.7 HG2 ARG 54 - HE2 LYS 39 far 0 52 0 - 8.5-12.4 QG2 THR 58 - HE2 LYS 13 far 0 78 0 - 9.1-27.6 QB ALA 12 - HE2 LYS 39 far 0 75 0 - 9.3-27.0 HB2 LEU 52 - HE3 LYS 39 far 0 68 0 - 9.3-14.3 HB2 LEU 52 - HE2 LYS 39 far 0 73 0 - 9.4-14.4 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 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) * HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 37 42 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(24) HD3 LYS 39 + HE2 LYS 39 OK 35 40 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 34 39 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(24) HD3 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 65 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 70 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 93 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 92 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 72 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 72 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 55 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 54 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 77 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 96 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 67 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 53 0 - 10.0-29.2 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 44 assignments used, quality = 1.00: * HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 34 38 100 87 2.6-3.0 3.0=71, 1886/3.6=10...(23) HD2 LYS 39 + HE3 LYS 39 OK 31 35 100 88 2.4-3.0 3.0=71, 1886/3.6=10...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 98 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 92 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 93 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 73 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 74 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 50 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 89 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 49 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 74 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 94 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 89 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 83 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 60 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 68 0 - 9.8-24.4 HG2 ARG 17 - HE3 LYS 13 far 0 91 0 - 9.9-17.8 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 2.7-2.9 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): 4 out of 10 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 OK 98 98 100 100 4.3-4.3 2.3/4217=78, 2.3/4216=75...(17) HB2 LYS 32 + HA ILE 33 OK 53 100 65 81 4.4-5.5 ~3776=28, ~99=25...(9) HB3 LYS 32 + HA ILE 33 OK 29 100 35 82 4.5-5.4 ~3776=28, ~99=25...(10) HB2 PRO 34 - HA ILE 33 far 0 97 0 - 4.8-5.5 HB2 LEU 57 - HA ILE 33 far 0 100 0 - 7.0-8.0 HB2 LYS 13 - HA ILE 33 far 0 81 0 - 8.6-25.5 HB2 LEU 62 - HA ILE 33 far 0 78 0 - 8.8-10.7 HB3 LYS 39 - HA ILE 33 far 0 93 0 - 9.0-12.4 HB3 ARG 17 - HA ILE 33 far 0 71 0 - 9.6-25.0 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 2.3-2.4 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 3 assignments used, quality = 1.00: * HG12 ILE 33 + HA ILE 33 OK 100 100 100 100 2.9-3.1 3.9=100 HB3 LEU 57 - HA ILE 33 far 0 73 0 - 5.9-7.1 QB ALA 30 - HA ILE 33 far 0 100 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.22, 3.89, 56.86 ppm; 4.50 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 33 + HA ILE 33 OK 100 100 100 100 3.7-3.8 3.9=100 QG2 VAL 65 + HA ILE 33 OK 69 99 75 92 4.3-5.7 4727/3.2=75...(7) QG1 VAL 65 - HA ILE 33 far 0 95 0 - 6.2-8.2 QG2 THR 15 - HA ILE 33 far 0 63 0 - 7.7-21.9 HG13 ILE 40 - HA ILE 33 far 0 96 0 - 8.0-9.3 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 2.0-2.1 1680=100, 1682/3.2=60...(22) QD2 LEU 57 + HA ILE 33 OK 97 100 100 97 2.7-3.7 4606=47, 4612/3.2=41...(15) 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 2.5-2.6 572=77, 573/2.1=55...(12) 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 - 6.6-7.1 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 3 assignments used, quality = 1.00: * HG12 ILE 33 + HB ILE 33 OK 100 100 100 100 2.5-2.5 3.0=100 QB ALA 30 - HB ILE 33 far 0 100 0 - 6.7-8.7 HB3 LEU 57 - HB ILE 33 far 0 73 0 - 8.4-9.1 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 2.4-2.4 3.0=100 QG2 VAL 65 - HB ILE 33 far 0 99 0 - 5.0-6.0 QG1 VAL 65 - HB ILE 33 far 0 95 0 - 5.9-7.9 HG13 ILE 40 - HB ILE 33 far 0 96 0 - 6.4-7.4 QG2 THR 15 - HB ILE 33 far 0 63 0 - 6.9-19.4 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (0.71, 1.77, 36.30 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HB ILE 33 OK 100 100 100 100 3.2-3.2 3.2=100 QD2 LEU 57 + HB ILE 33 OK 35 100 35 99 4.9-5.3 4612/2.1=67, 4606/3.0=53...(16) 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 - 8.0-8.8 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 4 assignments used, quality = 1.00: * HA ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.3-2.4 3.2=100 HD2 PRO 36 - QG2 ILE 33 far 0 89 0 - 5.3-5.7 HA LEU 51 - QG2 ILE 33 far 0 100 0 - 7.4-8.8 HB3 SER 22 - QG2 ILE 33 far 0 100 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (1.77, 0.31, 17.04 ppm; 3.19 A): 1 out of 12 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 far 15 98 15 - 4.1-4.9 HB2 PRO 34 - QG2 ILE 33 far 0 97 0 - 4.4-5.0 HB3 LYS 39 - QG2 ILE 33 far 0 93 0 - 5.3-8.0 HB2 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.0-6.9 HB2 LEU 57 - QG2 ILE 33 far 0 100 0 - 6.1-6.7 HB3 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.1-6.7 HB3 ARG 17 - QG2 ILE 33 far 0 71 0 - 7.2-19.5 HB2 LEU 62 - QG2 ILE 33 far 0 78 0 - 7.6-8.8 HB2 ARG 54 - QG2 ILE 33 far 0 100 0 - 7.7-9.2 HB2 LYS 13 - QG2 ILE 33 far 0 81 0 - 8.9-22.0 HG3 ARG 71 - QG2 ILE 33 far 0 89 0 - 9.3-12.1 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 5 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 - 5.3-5.9 QB ALA 30 - QG2 ILE 33 far 0 100 0 - 7.1-8.4 HB3 LEU 52 - QG2 ILE 33 far 0 60 0 - 8.4-9.4 HB3 LEU 43 - QG2 ILE 33 far 0 99 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (1.22, 0.31, 17.04 ppm; 3.13 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QG2 ILE 33 OK 99 100 100 99 2.4-2.5 3.2=94, 2.1/1682=63...(13) QG2 VAL 65 + QG2 ILE 33 OK 88 99 100 89 2.8-3.7 4727=64, 1684/1682=24...(11) QG1 VAL 65 + QG2 ILE 33 OK 61 95 75 86 3.6-5.3 2.1/4727=51...(12) HG13 ILE 40 - QG2 ILE 33 far 0 96 0 - 4.1-5.2 QG2 THR 15 - QG2 ILE 33 far 0 63 0 - 6.9-16.9 HG LEU 52 - QG2 ILE 33 far 0 73 0 - 7.4-8.6 HG2 ARG 69 - QG2 ILE 33 far 0 81 0 - 7.8-11.5 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 1.9-2.0 3.2=100 QD2 LEU 57 + QG2 ILE 33 OK 97 100 100 97 2.3-3.4 4612=40, 4603/4215=31...(21) 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 2 assignments used, quality = 1.00: * H ILE 33 + HG12 ILE 33 OK 100 100 100 100 1.9-2.6 574=100, 575/1.8=77...(14) H ASP 67 - HG12 ILE 33 far 0 71 0 - 9.6-10.4 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 2.9-3.1 3.9=100 HD2 PRO 36 - HG12 ILE 33 far 0 89 0 - 9.1-9.5 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 12 assignments used, quality = 1.00: * HB ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.5-2.5 3.0=100 HB2 LYS 32 - HG12 ILE 33 far 0 100 0 - 5.0-5.8 HB3 LYS 32 - HG12 ILE 33 far 0 100 0 - 5.5-6.4 HG2 PRO 34 - HG12 ILE 33 far 0 98 0 - 7.1-7.4 HB2 PRO 34 - HG12 ILE 33 far 0 97 0 - 7.7-8.3 HB2 LEU 57 - HG12 ILE 33 far 0 100 0 - 8.9-9.9 HB2 LEU 57 - HG13 ILE 89 far 0 98 0 - 9.0-53.9 HB2 LYS 13 - HG12 ILE 33 far 0 81 0 - 9.0-26.7 HB2 LEU 62 - HG12 ILE 33 far 0 78 0 - 9.4-11.0 HB3 ARG 17 - HG12 ILE 33 far 0 71 0 - 9.7-22.8 HG3 ARG 26 - HG12 ILE 33 far 0 83 0 - 9.8-11.9 HB3 LYS 39 - HG12 ILE 33 far 0 93 0 - 9.8-12.8 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 5 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 - 4.4-5.4 QG1 VAL 65 - HG12 ILE 33 far 0 95 0 - 6.1-7.9 HG13 ILE 40 - HG12 ILE 33 far 0 96 0 - 7.9-8.6 QG2 THR 15 - HG12 ILE 33 far 0 63 0 - 8.1-20.5 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 - 4.8-5.4 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 3.5-3.8 575=100, 574/1.8=85...(9) H ASP 67 - HG2 ARG 69 far 0 37 0 - 5.8-8.4 H ASP 67 - HG13 ILE 33 far 0 71 0 - 8.4-9.0 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 3.7-3.8 3.9=100 HD2 PRO 36 - HG13 ILE 33 far 0 89 0 - 8.5-8.9 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 15 assignments used, quality = 1.00: * HB ILE 33 + HG13 ILE 33 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 LYS 73 - HG2 ARG 69 poor 15 59 25 - 3.1-8.8 HB3 LYS 75 - HG2 ARG 69 far 0 47 0 - 5.3-14.0 HG3 ARG 71 - HG2 ARG 69 far 0 50 0 - 6.6-9.2 HB2 LYS 32 - HG13 ILE 33 far 0 100 0 - 6.7-7.5 HB3 LYS 32 - HG13 ILE 33 far 0 100 0 - 7.1-8.0 HG2 PRO 34 - HG13 ILE 33 far 0 98 0 - 7.4-7.9 HB2 PRO 34 - HG13 ILE 33 far 0 97 0 - 8.2-8.7 HB3 LYS 39 - HG13 ILE 33 far 0 93 0 - 8.5-11.5 HB2 LEU 57 - HG13 ILE 33 far 0 100 0 - 8.8-9.5 HB2 LEU 62 - HG13 ILE 33 far 0 78 0 - 9.2-10.5 HG3 ARG 71 - HG13 ILE 33 far 0 89 0 - 9.3-13.0 HB3 LYS 39 - HG2 ARG 69 far 0 54 0 - 9.3-13.6 HB3 ARG 17 - HG13 ILE 33 far 0 71 0 - 9.7-22.2 HG3 ARG 26 - HG13 ILE 33 far 0 83 0 - 9.9-11.9 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 2.4-2.5 3.2=100 QG2 ILE 33 - HG2 ARG 69 far 0 63 0 - 7.8-11.5 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 5 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 - 6.5-7.9 HB3 LEU 43 - HG2 ARG 69 far 0 61 0 - 6.7-10.9 HB3 LEU 57 - HG13 ILE 33 far 0 73 0 - 7.4-8.3 HB3 LEU 52 - HG2 ARG 69 far 0 31 0 - 9.2-12.5 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 4 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 - 4.6-5.2 QD1 ILE 33 - HG2 ARG 69 far 0 63 0 - 8.4-11.8 QD2 LEU 57 - HG2 ARG 69 far 0 62 0 - 9.2-13.0 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 3.1-3.8 576=100, 574/2.1=83...(13) H ASP 67 - QD1 ILE 33 far 0 71 0 - 6.7-7.7 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 2.0-2.1 4.1=59, 3.2/1682=55...(22) HD2 PRO 36 - QD1 ILE 33 far 0 89 0 - 8.2-8.4 HA LEU 51 - QD1 ILE 33 far 0 100 0 - 9.0-10.2 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 - 4.5-5.6 HG2 PRO 34 - QD1 ILE 33 far 0 98 0 - 4.7-5.2 HB3 LYS 32 - QD1 ILE 33 far 0 100 0 - 5.1-6.2 HB2 LEU 57 - QD1 ILE 33 far 0 100 0 - 5.6-6.4 HB2 PRO 34 - QD1 ILE 33 far 0 97 0 - 5.8-6.4 HB2 LEU 62 - QD1 ILE 33 far 0 78 0 - 5.9-7.2 HB3 LYS 39 - QD1 ILE 33 far 0 93 0 - 7.5-10.5 HB2 LYS 13 - QD1 ILE 33 far 0 81 0 - 8.8-23.4 HG3 ARG 71 - QD1 ILE 33 far 0 89 0 - 8.9-11.4 HB2 ARG 54 - QD1 ILE 33 far 0 100 0 - 9.0-10.4 HB3 ARG 17 - QD1 ILE 33 far 0 71 0 - 9.4-20.5 HG3 ARG 26 - QD1 ILE 33 far 0 83 0 - 9.5-11.5 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 1.9-2.0 3.2=98, 3.2/1680=41...(20) 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 4 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 - 4.4-5.2 QB ALA 30 - QD1 ILE 33 far 0 100 0 - 6.1-6.6 HB3 LEU 52 - QD1 ILE 33 far 0 60 0 - 8.4-9.6 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 7 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 1.9-3.1 4727/1682=31, 4725=29...(20) QG1 VAL 65 - QD1 ILE 33 far 0 95 0 - 3.8-5.4 HG13 ILE 40 - QD1 ILE 33 far 0 96 0 - 5.6-6.9 HG LEU 52 - QD1 ILE 33 far 0 73 0 - 7.7-9.0 QG2 THR 15 - QD1 ILE 33 far 0 63 0 - 8.0-18.4 HG2 ARG 69 - QD1 ILE 33 far 0 81 0 - 8.4-11.8 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 4.0-4.5 2.1/4215=84, 3.0/4216=72...(22) HG2 PRO 34 + HD2 PRO 34 OK 83 83 100 100 2.7-2.7 2.3=100 HB2 LYS 32 - HD2 PRO 34 far 0 99 0 - 5.4-7.3 HB2 LEU 57 - HD2 PRO 34 far 0 95 0 - 5.8-6.5 HB3 LYS 32 - HD2 PRO 34 far 0 99 0 - 6.1-7.0 HB3 LYS 39 - HD2 PRO 34 far 0 100 0 - 8.0-11.5 HB2 ARG 54 - HD2 PRO 34 far 0 93 0 - 8.2-10.0 HB2 LYS 13 - HD2 PRO 34 far 0 97 0 - 9.6-25.6 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 5 assignments used, quality = 1.00: * HB3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 PRO 14 - HD2 PRO 34 far 0 95 0 - 7.4-25.1 HB2 LYS 39 - HD2 PRO 34 far 0 85 0 - 8.1-10.8 HB ILE 68 - HD2 PRO 34 far 0 76 0 - 9.4-10.6 HB3 ARG 27 - HD2 PRO 34 far 0 83 0 - 9.9-11.2 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 9 assignments used, quality = 1.00: * HG2 PRO 34 + HD2 PRO 34 OK 100 100 100 100 2.7-2.7 2.3=100 HB ILE 33 + HD2 PRO 34 OK 98 98 100 100 4.0-4.5 2.1/4215=77, 3.0/4216=65...(22) 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 - 5.4-7.3 HB2 LEU 57 - HD2 PRO 34 far 0 99 0 - 5.8-6.5 HB3 LYS 32 - HD2 PRO 34 far 0 93 0 - 6.1-7.0 HB3 LYS 39 - HD2 PRO 34 far 0 76 0 - 8.0-11.5 HB2 ARG 54 - HD2 PRO 34 far 0 99 0 - 8.2-10.0 HB2 LEU 62 - HD2 PRO 34 far 0 95 0 - 8.2-10.0 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 2.3-2.3 2.3=100 QD1 ILE 40 - HD2 PRO 34 far 0 95 0 - 5.9-6.5 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 - 7.7-7.8 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 ALA 16 - HD3 PRO 36 far 2 44 5 - 4.7-17.5 HA PRO 34 - HD3 PRO 36 far 0 45 0 - 6.8-6.8 HA ALA 16 - HD3 PRO 34 far 0 99 0 - 7.9-23.7 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (1.78, 3.54, 50.48 ppm; 4.02 A): 4 out of 15 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 2.3-2.3 2.3=100 HB3 LYS 39 + HD3 PRO 36 OK 44 45 100 99 3.4-4.8 4877/3.0=42, ~5104=35...(20) HB2 LYS 32 + HD3 PRO 34 OK 20 99 40 51 4.2-6.2 6065/5764=13...(7) HB3 LYS 32 - HD3 PRO 34 poor 18 99 45 39 4.6-5.8 6065/5764=11, 1713=10...(6) HB ILE 33 - HD3 PRO 34 far 0 97 0 - 4.9-5.1 HB2 LEU 57 - HD3 PRO 34 far 0 95 0 - 6.5-7.2 HB ILE 33 - HD3 PRO 36 far 0 41 0 - 6.7-7.2 HB2 PRO 34 - HD3 PRO 36 far 0 45 0 - 7.0-8.2 HB2 LYS 13 - HD3 PRO 36 far 0 42 0 - 7.8-26.9 HB2 LYS 13 - HD3 PRO 34 far 0 97 0 - 8.1-24.5 HG2 PRO 34 - HD3 PRO 36 far 0 32 0 - 8.7-8.8 HB2 ARG 54 - HD3 PRO 34 far 0 93 0 - 9.0-10.9 HB2 ARG 54 - HD3 PRO 36 far 0 38 0 - 9.1-11.3 HB3 LYS 39 - HD3 PRO 34 far 0 100 0 - 9.6-12.9 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 2.9-3.9 5104/1.8=53, ~4877=46...(23) HB3 PRO 14 - HD3 PRO 34 far 0 95 0 - 6.1-24.4 HB3 PRO 34 - HD3 PRO 36 far 0 45 0 - 7.0-8.2 HB3 PRO 14 - HD3 PRO 36 far 0 39 0 - 9.6-24.0 HB2 LYS 39 - HD3 PRO 34 far 0 85 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (1.76, 3.54, 50.48 ppm; 3.83 A): 2 out of 15 assignments used, quality = 1.00: * HG2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 2.3-2.3 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 poor 18 28 65 - 3.4-4.8 HB2 LYS 32 - HD3 PRO 34 poor 15 93 35 47 4.2-6.2 4670/4655=12...(7) HB3 LYS 32 - HD3 PRO 34 far 14 93 15 - 4.6-5.8 HB ILE 33 - HD3 PRO 34 far 0 98 0 - 4.9-5.1 HB3 ARG 17 - HD3 PRO 36 far 0 36 0 - 6.2-21.2 HB2 LEU 57 - HD3 PRO 34 far 0 99 0 - 6.5-7.2 HB ILE 33 - HD3 PRO 36 far 0 42 0 - 6.7-7.2 HB2 PRO 34 - HD3 PRO 36 far 0 32 0 - 7.0-8.2 HG2 PRO 34 - HD3 PRO 36 far 0 45 0 - 8.7-8.8 HB2 LEU 62 - HD3 PRO 34 far 0 95 0 - 8.9-10.8 HB2 ARG 54 - HD3 PRO 34 far 0 99 0 - 9.0-10.9 HB2 ARG 54 - HD3 PRO 36 far 0 44 0 - 9.1-11.3 HB3 LYS 39 - HD3 PRO 34 far 0 76 0 - 9.6-12.9 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 3.0-3.0 2.3=100 QD1 ILE 40 - HD3 PRO 36 far 0 39 0 - 5.8-6.7 HG3 PRO 34 - HD3 PRO 36 far 0 45 0 - 7.1-7.2 QD1 ILE 40 - HD3 PRO 34 far 0 95 0 - 7.3-8.0 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 - 7.7-7.8 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): 2 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 HG2 PRO 34 + HA PRO 34 OK 60 83 100 72 4.0-4.0 3.8=58, 4862/4.8=15...(5) HB ILE 33 - HA PRO 34 far 0 97 0 - 5.3-5.4 HB3 LYS 32 - HA PRO 34 far 0 99 0 - 5.8-6.2 HB2 LYS 32 - HA PRO 34 far 0 99 0 - 6.4-7.8 HB2 LYS 13 - HA PRO 34 far 0 97 0 - 7.6-23.0 HB3 LYS 39 - HA PRO 34 far 0 100 0 - 9.0-11.5 HB2 ARG 54 - HA PRO 34 far 0 93 0 - 9.2-11.4 HB2 LEU 57 - HA PRO 34 far 0 95 0 - 9.4-9.9 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 3 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 - 4.2-22.8 HB2 LYS 39 - HA PRO 34 far 0 85 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (1.76, 4.32, 63.87 ppm; 3.20 A): 2 out of 9 assignments used, quality = 0.96: HB2 PRO 34 + HA PRO 34 OK 83 83 100 100 2.3-2.7 2.3=100 * HG2 PRO 34 + HA PRO 34 OK 74 100 100 74 4.0-4.0 3.8=58, 4862/4.8=18...(6) HB ILE 33 - HA PRO 34 far 0 98 0 - 5.3-5.4 HB3 LYS 32 - HA PRO 34 far 0 93 0 - 5.8-6.2 HB2 LYS 32 - HA PRO 34 far 0 93 0 - 6.4-7.8 HB3 ARG 17 - HA PRO 34 far 0 90 0 - 7.9-25.7 HB3 LYS 39 - HA PRO 34 far 0 76 0 - 9.0-11.5 HB2 ARG 54 - HA PRO 34 far 0 99 0 - 9.2-11.4 HB2 LEU 57 - HA PRO 34 far 0 99 0 - 9.4-9.9 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 3.9-3.9 3.8=100 QD1 ILE 40 - HA PRO 34 far 0 95 0 - 7.8-8.8 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 - 6.8-6.8 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 9 assignments used, quality = 1.00: * HA PRO 34 + HB2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA ALA 16 - HB3 LYS 32 far 0 63 0 - 4.6-23.7 HA LEU 86 - HB3 ARG 84 far 0 60 0 - 5.1-9.0 HA PRO 34 - HB3 LYS 32 far 0 65 0 - 5.8-6.2 HA ALA 16 - HB2 LYS 32 far 0 63 0 - 6.3-24.2 HA PRO 34 - HB2 LYS 32 far 0 65 0 - 6.4-7.8 HA GLU 87 - HB3 ARG 84 far 0 70 0 - 6.9-12.7 HA ALA 16 - HB2 PRO 34 far 0 99 0 - 7.9-24.0 HA PRO 34 - HB2 ARG 54 far 0 51 0 - 9.2-11.4 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 13 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 - HB2 PRO 34 far 0 95 0 - 5.5-24.9 HB3 PRO 14 - HB3 LYS 32 far 0 57 0 - 5.7-25.9 HB3 PRO 34 - HB3 LYS 32 far 0 65 0 - 6.0-8.2 HB3 PRO 34 - HB2 LYS 32 far 0 65 0 - 6.3-9.5 HB3 PRO 14 - HB2 LYS 32 far 0 57 0 - 7.1-26.5 HB2 ARG 66 - HB3 ARG 84 far 0 70 0 - 7.5-32.3 HB3 PRO 34 - HB2 ARG 54 far 0 51 0 - 8.0-10.2 HB2 LYS 39 - HB2 PRO 34 far 0 85 0 - 8.3-11.8 HB2 MET 11 - HB2 ARG 54 far 0 46 0 - 8.7-39.6 HB2 LYS 39 - HB2 ARG 54 far 0 38 0 - 9.2-12.1 HB3 ARG 27 - HB2 LYS 32 far 0 47 0 - 9.3-10.8 HB2 MET 11 - HB3 ARG 82 far 0 85 0 - 10.0-63.5 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 - 6.2-8.1 HG3 PRO 34 - HB2 LYS 32 far 0 65 0 - 7.1-9.2 HG3 PRO 34 - HB3 LYS 32 far 0 65 0 - 7.5-8.5 QD1 ILE 40 - HB2 PRO 34 far 0 95 0 - 8.1-8.8 QD1 ILE 40 - HB2 ARG 54 far 0 44 0 - 8.7-10.5 QD1 ILE 40 - HB2 LYS 32 far 0 57 0 - 9.0-10.8 QD1 ILE 40 - HB3 LYS 32 far 0 57 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (3.54, 1.78, 30.55 ppm; 4.86 A): 3 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 + HB3 LYS 32 OK 25 65 95 41 4.6-5.8 4655/4670=12...(6) HD3 PRO 34 + HB2 LYS 32 OK 25 65 65 59 4.2-6.2 4655/4670=15...(7) HD3 PRO 36 - HB2 PRO 34 far 0 68 0 - 7.0-8.2 HD3 PRO 34 - HB2 ARG 54 far 0 51 0 - 9.0-10.9 HD3 PRO 36 - HB2 ARG 54 far 0 28 0 - 9.1-11.3 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 4 assignments used, quality = 1.00: * HA PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA GLU 87 - HB2 GLN 91 far 0 71 0 - 6.9-15.6 HA ALA 16 - HB3 PRO 34 far 0 99 0 - 7.2-23.3 HA LEU 86 - HB2 GLN 91 far 0 61 0 - 8.2-18.3 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (1.78, 1.87, 30.55 ppm; 2.41 A): 4 out of 22 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 83 83 100 100 2.3-2.7 2.3=100 HG3 ARG 71 + HB3 ARG 71 OK 23 26 100 88 2.2-3.0 2.8=64, 5841/4.4=11...(22) HG3 ARG 71 + HB2 ARG 71 OK 22 25 100 88 2.2-3.0 2.8=64, 5841/4.4=11...(22) HB3 LYS 75 - HB3 ARG 71 far 0 50 0 - 4.9-14.3 HG3 ARG 71 - HB2 ARG 27 far 0 23 0 - 5.9-10.8 HB3 LYS 32 - HB3 PRO 34 far 0 99 0 - 6.0-8.2 HB2 LYS 32 - HB3 PRO 34 far 0 99 0 - 6.3-9.5 HG3 ARG 71 - HB3 ARG 27 far 0 24 0 - 6.3-11.4 HB2 ARG 69 - HB2 ARG 71 far 0 32 0 - 6.6-8.8 HB3 LYS 75 - HB2 ARG 71 far 0 48 0 - 6.6-14.1 HB ILE 33 - HB3 PRO 34 far 0 97 0 - 6.6-6.9 HB ILE 33 - HB2 ARG 27 far 0 42 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 43 0 - 6.9-8.9 HB2 ARG 69 - HB3 ARG 71 far 0 33 0 - 7.1-9.3 HB3 LYS 73 - HB2 ARG 71 far 0 50 0 - 7.5-9.2 HB2 LEU 57 - HB3 PRO 34 far 0 95 0 - 7.6-8.5 HB2 ARG 54 - HB3 PRO 34 far 0 93 0 - 8.0-10.2 HB3 LYS 73 - HB3 ARG 71 far 0 52 0 - 8.2-8.9 HB2 LYS 13 - HB3 PRO 34 far 0 97 0 - 8.3-25.5 HB2 LYS 32 - HB3 ARG 27 far 0 47 0 - 9.3-10.8 HB3 LYS 39 - HB3 PRO 34 far 0 100 0 - 9.7-12.6 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): 4 out of 23 assignments used, quality = 1.00: * HG2 PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 PRO 34 + HB3 PRO 34 OK 83 83 100 100 1.8-1.8 1.8=100 HG3 ARG 71 + HB3 ARG 71 OK 48 50 100 96 2.2-3.0 2.8=82, 779/4.0=20...(30) HG3 ARG 71 + HB2 ARG 71 OK 46 48 100 97 2.2-3.0 2.8=82, 779/4.0=20...(31) HG3 ARG 26 - HB2 ARG 27 far 0 42 0 - 3.7-7.3 HB3 LYS 75 - HB3 ARG 71 far 0 26 0 - 4.9-14.3 HG3 ARG 26 - HB3 ARG 27 far 0 43 0 - 4.9-8.0 HG3 ARG 71 - HB2 ARG 27 far 0 44 0 - 5.9-10.8 HB3 LYS 32 - HB3 PRO 34 far 0 93 0 - 6.0-8.2 HB2 LYS 32 - HB3 PRO 34 far 0 93 0 - 6.3-9.5 HG3 ARG 71 - HB3 ARG 27 far 0 46 0 - 6.3-11.4 HB3 LYS 75 - HB2 ARG 71 far 0 25 0 - 6.6-14.1 HB ILE 33 - HB3 PRO 34 far 0 98 0 - 6.6-6.9 HB ILE 33 - HB2 ARG 27 far 0 43 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 45 0 - 6.9-8.9 HB3 LYS 73 - HB2 ARG 71 far 0 38 0 - 7.5-9.2 HB2 LEU 57 - HB3 PRO 34 far 0 99 0 - 7.6-8.5 HG3 ARG 26 - HB3 ARG 71 far 0 47 0 - 7.8-16.0 HB2 ARG 54 - HB3 PRO 34 far 0 99 0 - 8.0-10.2 HB3 LYS 73 - HB3 ARG 71 far 0 40 0 - 8.2-8.9 HG3 ARG 26 - HB2 ARG 71 far 0 46 0 - 8.8-15.5 HB2 LYS 32 - HB3 ARG 27 far 0 41 0 - 9.3-10.8 HB3 LYS 39 - HB3 PRO 34 far 0 76 0 - 9.7-12.6 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 71 far 0 44 0 - 5.7-9.3 QD1 ILE 40 - HB3 ARG 27 far 0 42 0 - 5.9-8.0 QD1 ILE 40 - HB2 ARG 27 far 0 40 0 - 6.2-8.5 QD1 ILE 40 - HB3 ARG 71 far 0 45 0 - 6.9-9.6 QD1 ILE 40 - HB3 PRO 34 far 0 95 0 - 8.1-9.3 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 HD2 PRO 34 - HB3 ARG 27 far 0 48 0 - 9.9-11.2 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 - 7.0-8.2 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 4.0-4.0 3.8=100 HA ALA 16 - HG2 PRO 34 far 0 99 0 - 9.1-24.7 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 3 assignments used, quality = 1.00: * HB3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 14 - HG2 PRO 34 far 0 95 0 - 6.3-26.0 HB2 LYS 39 - HG2 PRO 34 far 0 85 0 - 9.5-12.1 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 - 7.8-8.4 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 2.7-2.7 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 2.3-2.3 2.3=100 HD3 PRO 36 - HG2 PRO 34 far 0 68 0 - 8.7-8.8 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 3.9-3.9 3.8=100 HA ALA 16 - HG3 PRO 34 far 0 99 0 - 9.1-23.3 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 8 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 - 5.7-6.2 HB2 LEU 57 - HG3 PRO 34 far 0 95 0 - 5.7-6.3 HB2 ARG 54 - HG3 PRO 34 far 0 93 0 - 6.2-8.1 HB2 LYS 32 - HG3 PRO 34 far 0 99 0 - 7.1-9.2 HB3 LYS 39 - HG3 PRO 34 far 0 100 0 - 7.4-10.8 HB3 LYS 32 - HG3 PRO 34 far 0 99 0 - 7.5-8.5 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 HB3 PRO 14 - HG3 PRO 34 far 0 95 0 - 7.1-25.8 HB2 LYS 39 - HG3 PRO 34 far 0 85 0 - 7.7-10.4 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 9 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 - 5.7-6.2 HB2 LEU 57 - HG3 PRO 34 far 0 99 0 - 5.7-6.3 HB2 ARG 54 - HG3 PRO 34 far 0 99 0 - 6.2-8.1 HB2 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.1-9.2 HB3 LYS 39 - HG3 PRO 34 far 0 76 0 - 7.4-10.8 HB3 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.5-8.5 HB2 LEU 62 - HG3 PRO 34 far 0 95 0 - 9.1-10.7 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 2.3-2.3 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 3.0-3.0 2.3=100 HD3 PRO 36 - HG3 PRO 34 far 0 68 0 - 7.1-7.2 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 2.8-2.8 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 2.5-2.6 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 - 7.2-8.8 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 4.0-4.1 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 2.5-2.6 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 4 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 - 4.0-6.3 HB3 TYR 55 - HB2 PHE 35 far 0 63 0 - 7.3-8.4 HB3 PHE 35 - HB3 PHE 48 far 0 61 0 - 9.8-12.7 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 - 7.8-10.0 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 3.6-3.7 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 2 assignments used, quality = 1.00: * HB2 PHE 35 + HB3 PHE 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 48 - HB3 PHE 35 far 0 63 0 - 9.8-12.7 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 2.4-2.4 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 - 7.8-10.0 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 2.4-2.4 2.6=100 HB3 TYR 55 + QD PHE 35 OK 60 60 100 100 3.9-4.8 2.5/4629=86, 5716=63...(16) 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 - 8.0-9.1 HD22 ASN 42 - QD PHE 35 far 0 97 0 - 9.7-10.6 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): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.9-3.9 3.0=100 HG3 PRO 36 + HD2 PRO 36 OK 60 60 100 100 2.3-2.3 2.3=100 HB ILE 40 - HD2 PRO 36 far 0 100 0 - 9.0-9.8 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 1 assignment used, quality = 1.00: * HB3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.0-3.0 3.0=100 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): 3 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 OK 60 60 100 100 3.9-3.9 3.0=100 HB ILE 40 - HD2 PRO 36 far 0 63 0 - 9.0-9.8 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 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (2.12, 3.57, 50.78 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 4.0-4.0 3.0=100 HG3 PRO 36 + HD3 PRO 36 OK 60 60 100 100 2.7-2.7 2.3=100 HB ILE 40 - HD3 PRO 36 far 0 100 0 - 7.8-8.6 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 HG3 PRO 56 - HD3 PRO 34 far 0 45 0 - 5.3-7.5 HB3 MET 31 - HD3 PRO 34 far 0 28 0 - 6.0-7.0 HB2 PRO 56 - HD3 PRO 34 far 0 44 0 - 6.3-7.8 Violated in 0 structures by 0.00 A. Peak 1770 from cnoeabs.peaks (2.10, 3.57, 50.78 ppm; 3.33 A): 3 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 OK 60 60 100 100 4.0-4.0 3.0=100 HG3 PRO 56 - HD3 PRO 34 far 0 44 0 - 5.3-7.5 HB3 MET 31 - HD3 PRO 34 far 0 26 0 - 6.0-7.0 HB2 PRO 56 - HD3 PRO 34 far 0 43 0 - 6.3-7.8 HB ILE 40 - HD3 PRO 36 far 0 63 0 - 7.8-8.6 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 8 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 91 2.3-2.4 3.8=43, 4216/1.8=40...(15) HA LEU 51 - HD3 PRO 36 far 0 81 0 - 8.2-10.2 HA ILE 33 - HD3 PRO 36 far 0 89 0 - 8.3-8.5 HD2 PRO 36 - HD3 PRO 34 far 0 45 0 - 9.0-9.1 HB3 SER 60 - HD3 PRO 34 far 0 20 0 - 9.0-11.4 HB2 SER 60 - HD3 PRO 34 far 0 20 0 - 9.1-10.4 HA LEU 51 - HD3 PRO 34 far 0 31 0 - 9.8-11.4 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): 2 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 OK 44 60 100 73 4.0-4.0 3.8=66, 3798/112=8...(4) HB ILE 40 - HA PRO 36 far 0 100 0 - 7.1-8.0 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; 3.46 A): 2 out of 3 assignments used, quality = 0.98: * HG2 PRO 36 + HA PRO 36 OK 90 100 100 90 3.9-3.9 3.8=73, 115/112=41...(5) HG3 PRO 36 + HA PRO 36 OK 82 100 100 82 4.0-4.0 3.8=73, 3798/112=14...(4) HB3 MET 31 - HA PRO 36 far 0 76 0 - 9.2-11.9 Violated in 20 structures by 0.04 A. Peak 1777 from cnoeabs.peaks (2.10, 4.61, 62.34 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.99: HG2 PRO 36 + HA PRO 36 OK 90 100 100 90 3.9-3.9 3.8=73, 115/112=41...(5) * HG3 PRO 36 + HA PRO 36 OK 82 100 100 82 4.0-4.0 3.8=73, 3798/112=14...(4) HB2 PRO 36 + HA PRO 36 OK 60 60 100 100 2.7-2.7 2.3=100 HB ILE 40 - HA PRO 36 far 0 63 0 - 7.1-8.0 HB3 MET 31 - HA PRO 36 far 0 71 0 - 9.2-11.9 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 2 assignments used, quality = 1.00: * HA PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HA ASN 80 - HB2 PRO 36 far 0 90 0 - 8.6-38.1 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 - 7.4-14.4 HA ILE 33 - HB2 PRO 36 far 0 89 0 - 10.0-10.1 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 - 9.7-10.4 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 3 assignments used, quality = 1.00: * HA PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HA ASN 80 - HB3 PRO 36 far 0 90 0 - 9.0-39.8 HA ASN 80 - HB2 PRO 44 far 0 46 0 - 9.4-31.2 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 - 8.3-9.0 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 - 5.3-5.5 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 - 8.3-9.0 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 - 7.8-15.2 HA ILE 33 - HB3 PRO 36 far 0 89 0 - 9.5-9.7 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 - 7.9-9.1 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 4 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 HA ASN 80 - HG3 PRO 36 far 0 90 0 - 8.8-39.6 HA ASN 80 - HG2 PRO 36 far 0 90 0 - 9.4-38.0 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 - 6.8-7.6 HB ILE 40 - HG3 PRO 36 far 0 100 0 - 8.5-9.3 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 2 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 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 7 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 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 7.5-9.7 HB3 SER 22 - HG3 PRO 36 far 0 78 0 - 9.5-17.1 HA LEU 51 - HG2 PRO 36 far 0 81 0 - 9.6-11.4 HB3 SER 22 - HG2 PRO 36 far 0 78 0 - 9.7-16.6 HA ILE 33 - HG2 PRO 36 far 0 89 0 - 9.8-10.0 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 - 5.3-7.5 HA VAL 41 - HG2 PRO 36 far 0 96 0 - 9.4-10.0 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 4 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 HA ASN 80 - HG3 PRO 36 far 0 90 0 - 8.8-39.6 HA ASN 80 - HG2 PRO 36 far 0 90 0 - 9.4-38.0 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 2 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 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 7 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 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 7.5-9.7 HB3 SER 22 - HG3 PRO 36 far 0 78 0 - 9.5-17.1 HA LEU 51 - HG2 PRO 36 far 0 80 0 - 9.6-11.4 HB3 SER 22 - HG2 PRO 36 far 0 78 0 - 9.7-16.6 HA ILE 33 - HG2 PRO 36 far 0 88 0 - 9.8-10.0 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 - 5.3-7.5 HA VAL 41 - HG2 PRO 36 far 0 95 0 - 9.4-10.0 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 3 assignments used, quality = 1.00: * HB THR 37 + HA THR 37 OK 100 100 100 100 2.3-2.5 3.0=100 HA LYS 39 - HA THR 37 far 0 65 0 - 6.2-6.7 HA GLN 79 - HA THR 37 far 0 68 0 - 8.5-31.2 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 2.5-3.2 3.2=100 QG2 THR 15 - HA THR 37 far 0 83 0 - 8.7-20.7 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 2.5-3.6 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 7 assignments used, quality = 1.00: * HA THR 37 + HB THR 37 OK 100 100 100 100 2.3-2.5 3.0=100 HA ALA 28 - HB THR 37 far 0 78 0 - 4.5-6.6 HA2 GLY 72 - HB THR 37 far 0 65 0 - 5.2-10.5 HA3 GLY 18 - HB THR 37 far 0 99 0 - 6.4-17.7 HA2 GLY 18 - HB THR 37 far 0 99 0 - 7.2-16.9 HA3 GLY 21 - HB THR 37 far 0 92 0 - 7.3-12.6 HA2 GLY 21 - HB THR 37 far 0 90 0 - 8.2-12.5 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 - 9.5-20.9 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 1.8-2.2 586=100, 119/4.1=47...(4) Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (3.94, 1.17, 22.48 ppm; 3.41 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 37 + QG2 THR 37 OK 100 100 100 100 2.5-3.2 3.2=100 HA ALA 28 - QG2 THR 37 far 12 78 15 - 3.9-6.2 HA3 GLY 21 - QG2 THR 37 far 0 92 0 - 4.7-9.6 HA2 GLY 21 - QG2 THR 37 far 0 90 0 - 4.9-9.5 HA2 GLY 18 - QG2 THR 37 far 0 99 0 - 5.2-12.1 HA3 GLY 18 - QG2 THR 37 far 0 99 0 - 5.5-12.7 HA2 GLY 72 - QG2 THR 37 far 0 65 0 - 5.6-8.0 HA GLN 61 - QG2 THR 37 far 0 60 0 - 8.4-11.4 HA LEU 62 - QG2 THR 37 far 0 96 0 - 9.4-11.9 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 5 assignments used, quality = 1.00: * HB THR 37 + QG2 THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLN 79 - QG2 THR 37 far 0 68 0 - 5.2-26.7 HA LYS 39 - QG2 THR 37 far 0 65 0 - 6.3-7.5 HA ALA 78 - QG2 THR 37 far 0 89 0 - 7.9-23.7 HA ALA 77 - QG2 THR 37 far 0 97 0 - 8.3-21.4 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 2.7-2.8 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: HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=22...(10) * HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 589/3.0=22...(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: * HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=22...(10) HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 589/3.0=22...(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 + HB3 ASP 38 OK 98 100 100 98 2.2-3.6 4.0=80, 589/1.8=44...(11) * H ASP 38 + HB2 ASP 38 OK 98 100 100 98 2.2-3.6 4.0=80, 590/1.8=44...(11) 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 2.3-3.0 3.0=100 HA ASP 38 + HB3 ASP 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 39 - HB3 ASP 38 far 9 60 15 - 3.8-5.6 HA LYS 39 - HB2 ASP 38 far 6 60 10 - 4.1-5.6 HA ALA 20 - HB2 ASP 38 far 4 87 5 - 2.8-17.3 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 4.1-19.8 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 4.2-17.9 HA GLU 19 - HB2 ASP 38 far 0 78 0 - 4.8-18.9 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 6.1-18.0 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 7.3-18.9 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 + HB3 ASP 38 OK 98 100 100 98 2.2-3.6 4.0=80, 589/1.8=44...(11) H ASP 38 + HB2 ASP 38 OK 98 100 100 98 2.2-3.6 4.0=80, 590/1.8=44...(11) 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 2.3-3.0 3.0=100 HA LYS 39 - HB3 ASP 38 far 9 60 15 - 3.8-5.6 HA LYS 39 - HB2 ASP 38 far 6 60 10 - 4.1-5.6 HA ALA 20 - HB2 ASP 38 far 4 87 5 - 2.8-17.3 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 4.1-19.8 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 4.2-17.9 HA GLU 19 - HB2 ASP 38 far 0 78 0 - 4.8-18.9 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 6.1-18.0 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 7.3-18.9 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 2.7-2.9 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 2 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 17 - HA LYS 39 far 0 92 0 - 9.6-23.0 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 2.3-2.8 3.0=100 HB2 LYS 13 - HA LYS 39 far 0 99 0 - 8.6-31.6 HB2 ARG 69 - HA LYS 39 far 0 83 0 - 9.4-11.5 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 3.6-4.2 4.1=89, 1.8/1837=87...(26) Violated in 2 structures by 0.03 A. Peak 1837 from cnoeabs.peaks (1.40, 4.25, 57.41 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.4-3.6 1873=63, 1.8/1836=57...(26) QB ALA 20 - HA LYS 39 far 0 65 0 - 7.7-18.6 HG3 ARG 69 - HA LYS 39 far 0 63 0 - 8.0-12.0 HB3 ARG 69 - HA LYS 39 far 0 97 0 - 8.2-11.2 HG2 LYS 13 - HA LYS 39 far 0 85 0 - 9.4-32.8 Violated in 15 structures by 0.06 A. Peak 1838 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.92: * HD2 LYS 39 + HA LYS 39 OK 90 100 90 100 2.2-5.1 3.0/1837=65, 5.0=43...(49) HD3 LYS 39 + HA LYS 39 OK 25 100 25 100 1.9-5.1 3.0/1837=65, 598/3.0=55...(50) HB3 LEU 51 - HA LYS 39 far 0 90 0 - 6.8-9.4 HD3 LYS 73 - HA LYS 39 far 0 65 0 - 9.2-13.1 HD2 LYS 73 - HA LYS 39 far 0 65 0 - 9.5-13.6 Violated in 15 structures by 0.29 A. Peak 1839 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.92: HD2 LYS 39 + HA LYS 39 OK 90 100 90 100 2.2-5.1 3.0/1837=65, 5.0=43...(49) * HD3 LYS 39 + HA LYS 39 OK 25 100 25 100 1.9-5.1 3.0/1837=65, 598/3.0=55...(50) HB3 LEU 51 - HA LYS 39 far 0 89 0 - 6.8-9.4 HD3 LYS 73 - HA LYS 39 far 0 63 0 - 9.2-13.1 HD2 LYS 73 - HA LYS 39 far 0 63 0 - 9.5-13.6 Violated in 15 structures by 0.29 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 2.1-2.4 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 12 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HA LYS 75 + HB2 LYS 75 OK 85 85 100 100 2.3-3.0 3.0=100 HA ALA 77 - HB2 LYS 75 far 0 72 0 - 5.2-8.2 HA ASP 38 - HB2 LYS 39 far 0 60 0 - 5.5-5.7 HA ALA 20 - HB2 LYS 75 far 0 81 0 - 5.9-27.8 HB THR 37 - HB2 LYS 39 far 0 65 0 - 6.6-7.8 HA ALA 20 - HB2 LYS 39 far 0 97 0 - 6.8-19.9 HA THR 15 - HB2 LYS 39 far 0 100 0 - 6.9-23.7 HA ARG 17 - HB2 LYS 39 far 0 63 0 - 7.9-19.0 HA GLU 19 - HB2 LYS 39 far 0 99 0 - 8.2-21.2 HA GLU 19 - HB2 LYS 75 far 0 85 0 - 9.5-31.5 HA ASP 38 - HB2 LYS 75 far 0 46 0 - 9.9-17.8 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 10 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 - 3.7-9.9 HB ILE 33 - HB2 LYS 39 far 0 93 0 - 7.5-9.6 HB2 LYS 13 - HB2 LYS 39 far 0 99 0 - 7.6-29.4 HB2 PRO 34 - HB2 LYS 39 far 0 100 0 - 8.3-11.8 HB2 ARG 69 - HB2 LYS 75 far 0 66 0 - 8.4-15.1 HB2 ARG 54 - HB2 LYS 39 far 0 89 0 - 9.2-12.1 HG2 PRO 34 - HB2 LYS 39 far 0 76 0 - 9.5-12.1 HB2 ARG 69 - HB2 LYS 39 far 0 83 0 - 9.6-12.5 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 3 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-2.4 2.9=100 HG3 ARG 23 - HB2 LYS 75 far 0 85 0 - 8.6-24.7 HG2 ARG 82 - HB2 LYS 39 far 0 83 0 - 9.8-35.8 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 13 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.2-3.0 2.7=100 HG2 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.3-3.0 2.7=100 HG3 LYS 73 - HB2 LYS 75 poor 18 72 25 - 3.8-10.7 QB ALA 77 - HB2 LYS 75 far 5 46 10 - 3.3-7.8 QB ALA 20 - HB2 LYS 75 far 3 51 5 - 3.4-23.9 HG3 ARG 69 - HB2 LYS 75 far 0 48 0 - 6.2-14.2 QB ALA 78 - HB2 LYS 75 far 0 72 0 - 6.4-10.3 QB ALA 20 - HB2 LYS 39 far 0 65 0 - 6.8-17.7 HB3 ARG 69 - HB2 LYS 75 far 0 82 0 - 7.2-15.0 HG2 LYS 13 - HB2 LYS 39 far 0 85 0 - 8.7-30.3 HB3 ARG 69 - HB2 LYS 39 far 0 97 0 - 9.0-12.3 HG3 ARG 69 - HB2 LYS 39 far 0 63 0 - 9.2-13.1 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 2.4-4.2 3.5=100 * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=100 HD3 LYS 73 - HB2 LYS 75 far 8 51 15 - 3.0-12.3 HD2 LYS 73 - HB2 LYS 75 far 3 51 5 - 3.1-12.8 HB3 LEU 51 - HB2 LYS 39 far 0 90 0 - 6.5-9.2 HG3 ARG 70 - HB2 LYS 75 far 0 46 0 - 6.7-13.6 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 2.4-4.2 3.5=100 HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=100 HD3 LYS 73 - HB2 LYS 75 far 7 48 15 - 3.0-12.3 HD2 LYS 73 - HB2 LYS 75 far 2 48 5 - 3.1-12.8 HB3 LEU 51 - HB2 LYS 39 far 0 89 0 - 6.5-9.2 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 7 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-5.1 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.1-4.7 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 3.1-5.3 5.0=98, 2.9/3118=45...(45) HE3 LYS 75 + HB2 LYS 75 OK 72 72 100 100 2.4-5.3 5.0=98, 2.9/3118=45...(45) HE2 LYS 73 - HB2 LYS 75 far 3 58 5 - 4.5-14.3 HE3 LYS 73 - HB2 LYS 75 far 3 55 5 - 3.0-13.9 HB3 TYR 81 - HB2 LYS 39 far 0 100 0 - 6.8-35.0 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 7 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.1-4.7 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-5.1 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 70 70 100 100 3.1-5.3 5.0=98, 2.9/3118=45...(45) HE3 LYS 75 + HB2 LYS 75 OK 68 68 100 100 2.4-5.3 5.0=98, 2.9/3118=45...(45) HE2 LYS 73 - HB2 LYS 75 far 3 53 5 - 4.5-14.3 HE3 LYS 73 - HB2 LYS 75 far 3 51 5 - 3.0-13.9 HB3 TYR 81 - HB2 LYS 39 far 0 100 0 - 6.8-35.0 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 3.0-3.6 4.0=100 H LYS 39 - HB2 LYS 13 far 0 99 0 - 9.6-28.9 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 23 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-2.8 3.0=100 HA LYS 83 + HB2 LYS 83 OK 92 92 100 100 2.3-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 91 91 100 100 2.3-3.0 3.0=100 HA LYS 85 + HB2 LYS 85 OK 53 53 100 100 2.4-3.0 3.0=100 HA LYS 75 - HB3 LYS 73 far 5 99 5 - 3.8-8.1 HA ALA 12 - HB2 LYS 13 far 0 97 0 - 4.6-6.0 HA ALA 77 - HB3 LYS 73 far 0 87 0 - 4.8-14.1 HA LYS 85 - HB2 LYS 83 far 0 71 0 - 4.8-8.7 HA THR 15 - HB2 LYS 13 far 0 98 0 - 5.3-7.0 HA ALA 20 - HB3 LYS 75 far 0 87 0 - 5.5-26.9 HA ALA 77 - HB3 LYS 75 far 0 78 0 - 5.8-8.7 HA LYS 83 - HB2 LYS 85 far 0 72 0 - 5.8-10.0 HA ASP 38 - HB3 LYS 39 far 0 60 0 - 6.1-6.6 HA THR 15 - HB3 LYS 39 far 0 100 0 - 7.2-25.3 HB THR 37 - HB3 LYS 39 far 0 65 0 - 7.6-9.2 HA ALA 20 - HB3 LYS 39 far 0 97 0 - 8.4-21.6 HA LYS 39 - HB2 LYS 13 far 0 99 0 - 8.6-31.6 HA ARG 17 - HB2 LYS 13 far 0 60 0 - 8.8-13.6 HA GLU 19 - HB3 LYS 75 far 0 91 0 - 9.1-30.2 HA ALA 12 - HB3 LYS 39 far 0 99 0 - 9.2-34.5 HA ASP 38 - HB3 LYS 73 far 0 59 0 - 9.3-11.9 HA ARG 17 - HB3 LYS 39 far 0 63 0 - 9.4-20.4 HA GLU 19 - HB3 LYS 39 far 0 99 0 - 9.9-22.9 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 18 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 HB2 LYS 75 - HB3 LYS 73 far 0 94 0 - 3.7-9.9 HB3 ARG 71 - HB3 LYS 75 far 0 93 0 - 4.9-14.3 HB2 MET 11 - HB2 LYS 13 far 0 55 0 - 6.2-9.8 HB2 ARG 71 - HB3 LYS 75 far 0 93 0 - 6.6-14.1 HB2 ARG 71 - HB3 LYS 73 far 0 99 0 - 7.5-9.2 HB2 LYS 39 - HB2 LYS 13 far 0 99 0 - 7.6-29.4 HB3 ARG 71 - HB3 LYS 73 far 0 99 0 - 8.2-8.9 HB3 PRO 34 - HB2 LYS 13 far 0 82 0 - 8.3-25.5 HB2 ARG 23 - HB3 LYS 75 far 0 90 0 - 8.5-25.3 HB2 ARG 66 - HB3 LYS 73 far 0 79 0 - 9.2-13.2 HB2 ARG 66 - HB2 LYS 83 far 0 71 0 - 9.3-30.8 HB2 ARG 17 - HB2 LYS 13 far 0 89 0 - 9.4-15.0 HB2 MET 11 - HB3 LYS 39 far 0 57 0 - 9.7-38.0 HB3 PRO 34 - HB3 LYS 39 far 0 85 0 - 9.7-12.6 HB2 ARG 66 - HB3 LYS 75 far 0 70 0 - 9.8-18.0 HB3 ARG 23 - HB3 LYS 75 far 0 91 0 - 10.0-25.5 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): 3 out of 10 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 86 + HB2 LYS 85 OK 56 63 100 89 5.0-7.2 861/4.6=87, 3.1/5109=12 HG2 ARG 82 + HB2 LYS 83 OK 32 73 80 55 5.3-7.6 5.0/832=46, 2634/3.0=9, ~3280=5 HG2 ARG 82 - HB2 LYS 85 far 3 55 5 - 6.2-14.5 HB3 LEU 86 - HB2 LYS 83 far 0 83 0 - 7.5-13.6 HG2 ARG 82 - HB2 LYS 13 far 0 80 0 - 7.7-59.7 HG3 ARG 23 - HB3 LYS 75 far 0 91 0 - 7.7-23.5 HG2 LYS 39 - HB2 LYS 13 far 0 99 0 - 9.0-29.0 HB3 ARG 54 - HB3 LYS 39 far 0 100 0 - 9.1-12.2 HG3 ARG 54 - HB3 LYS 39 far 0 63 0 - 9.3-13.9 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 32 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 2.2-2.7 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 2.2-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.2-3.0 2.7=100 HG2 LYS 85 + HB2 LYS 85 OK 42 42 100 100 2.3-3.0 2.9=100 HG3 LYS 73 - HB3 LYS 75 far 8 78 10 - 2.7-10.8 HG3 ARG 69 - HB3 LYS 73 far 3 61 5 - 3.2-7.4 QB ALA 77 - HB3 LYS 73 far 3 59 5 - 2.4-12.2 QB ALA 20 - HB3 LYS 75 far 3 56 5 - 2.9-23.8 HG2 LYS 75 - HB3 LYS 73 far 0 90 0 - 3.9-9.7 HG3 LYS 75 - HB3 LYS 73 far 0 90 0 - 4.2-9.3 QB ALA 78 - HB3 LYS 73 far 0 87 0 - 4.3-14.6 QB ALA 77 - HB3 LYS 75 far 0 51 0 - 4.3-8.1 HG3 ARG 69 - HB3 LYS 75 far 0 53 0 - 5.0-13.3 HB3 ARG 69 - HB3 LYS 73 far 0 96 0 - 5.0-9.2 HG2 LYS 85 - HB2 LYS 83 far 0 57 0 - 5.1-11.3 QB ALA 78 - HB2 LYS 13 far 0 86 0 - 6.0-44.9 HB3 ARG 69 - HB3 LYS 75 far 0 88 0 - 6.4-14.1 QB ALA 78 - HB2 LYS 83 far 0 79 0 - 6.9-15.3 QB ALA 77 - HB2 LYS 83 far 0 52 0 - 7.0-19.0 HG2 LYS 13 - HB3 LYS 39 far 0 85 0 - 7.5-31.2 QB ALA 20 - HB3 LYS 73 far 0 64 0 - 7.6-21.0 QB ALA 78 - HB3 LYS 75 far 0 78 0 - 7.8-10.8 QB ALA 77 - HB2 LYS 85 far 0 38 0 - 8.1-23.4 HB3 ARG 69 - HB3 LYS 39 far 0 97 0 - 8.2-12.1 QB ALA 20 - HB3 LYS 39 far 0 65 0 - 8.3-19.2 HG3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.6-30.7 HG3 ARG 69 - HB3 LYS 39 far 0 63 0 - 8.8-12.9 QB ALA 77 - HB2 LYS 13 far 0 57 0 - 9.5-42.4 QB ALA 53 - HB2 LYS 85 far 0 67 0 - 9.8-39.0 QB ALA 20 - HB2 LYS 13 far 0 63 0 - 10.0-20.6 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: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.9 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.7 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.0-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.8-3.7 3.5=100 HD3 LYS 73 - HB3 LYS 75 poor 17 56 30 - 3.6-11.8 HB3 LEU 86 - HB2 LYS 85 poor 14 55 45 55 5.0-7.2 861/4.6=51, 3.1/5109=9 HB3 LEU 51 - HB3 LYS 39 far 14 90 15 - 4.9-9.0 HG3 ARG 84 - HB2 LYS 83 far 13 89 15 - 2.2-7.7 HG2 ARG 84 - HB2 LYS 83 far 13 89 15 - 3.8-7.1 HG LEU 86 - HB2 LYS 85 poor 12 63 40 47 4.3-8.4 5894/4.6=40, 2.1/5109=10 HD2 LYS 73 - HB3 LYS 75 poor 11 56 20 - 3.6-12.7 HG3 ARG 70 - HB3 LYS 73 far 9 59 15 - 5.2-8.5 HD2 LYS 32 - HB2 LYS 13 far 3 63 5 - 3.2-25.8 HD3 LYS 32 - HB2 LYS 13 far 3 57 5 - 4.6-24.4 HG3 ARG 84 - HB2 LYS 85 far 0 70 0 - 5.7-8.6 HG LEU 86 - HB2 LYS 83 far 0 83 0 - 6.2-14.6 HD2 LYS 39 - HB2 LYS 13 far 0 99 0 - 6.3-30.6 HG3 ARG 70 - HB3 LYS 75 far 0 51 0 - 6.3-14.2 HG2 ARG 84 - HB2 LYS 85 far 0 70 0 - 6.5-8.4 HD3 LYS 39 - HB2 LYS 13 far 0 99 0 - 7.1-28.8 HB3 LEU 86 - HB2 LYS 83 far 0 73 0 - 7.5-13.6 HB3 LEU 29 - HB2 LYS 13 far 0 99 0 - 7.6-21.5 HG3 ARG 54 - HB3 LYS 39 far 0 99 0 - 9.3-13.9 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 2.2-3.7 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.0-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.8-3.7 3.5=100 HD3 LYS 73 - HB3 LYS 75 poor 16 53 30 - 3.6-11.8 HB3 LEU 86 - HB2 LYS 85 poor 15 57 45 57 5.0-7.2 861/4.6=52, 3.1/5109=9 HB3 LEU 51 - HB3 LYS 39 far 13 89 15 - 4.9-9.0 HG3 ARG 84 - HB2 LYS 83 far 13 88 15 - 2.2-7.7 HG2 ARG 84 - HB2 LYS 83 far 13 88 15 - 3.8-7.1 HG LEU 86 - HB2 LYS 85 poor 11 62 40 46 4.3-8.4 5894/4.6=40, 2.1/5109=10 HD2 LYS 73 - HB3 LYS 75 poor 11 53 20 - 3.6-12.7 HD2 LYS 32 - HB2 LYS 13 far 3 60 5 - 3.2-25.8 HG3 ARG 84 - HB2 LYS 85 far 0 69 0 - 5.7-8.6 HG LEU 86 - HB2 LYS 83 far 0 81 0 - 6.2-14.6 HD2 LYS 39 - HB2 LYS 13 far 0 99 0 - 6.3-30.6 HG2 ARG 84 - HB2 LYS 85 far 0 69 0 - 6.5-8.4 HD3 LYS 39 - HB2 LYS 13 far 0 99 0 - 7.1-28.8 HB3 LEU 86 - HB2 LYS 83 far 0 76 0 - 7.5-13.6 HB3 LEU 29 - HB2 LYS 13 far 0 99 0 - 7.6-21.5 HG3 ARG 54 - HB3 LYS 39 far 0 99 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. Peak 1860 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.30 A): 8 out of 20 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-5.0 4.7=77, 1906/2.9=38...(45) * HE2 LYS 39 + HB3 LYS 39 OK 95 100 95 100 2.0-5.3 4.7=77, 1906/2.9=38...(44) HE2 LYS 13 + HB2 LYS 13 OK 94 95 100 99 2.4-4.8 5.2=56, 1064/3.0=24...(29) HE3 LYS 13 + HB2 LYS 13 OK 94 94 100 99 2.0-5.1 5.2=56, 1064/3.0=25...(37) HE2 LYS 75 + HB3 LYS 75 OK 76 80 95 100 2.0-5.2 5.0=65, ~3128=27...(36) HE3 LYS 75 + HB3 LYS 75 OK 74 78 95 100 2.5-5.2 5.0=65, 6090/3.0=29...(36) HE3 LYS 73 + HB3 LYS 73 OK 69 69 100 100 2.0-4.8 4.7=77, ~3020=28...(35) HE2 LYS 73 + HB3 LYS 73 OK 68 72 95 100 2.9-5.4 4.7=77, ~3020=28...(35) HE3 LYS 73 - HB3 LYS 75 far 6 61 10 - 4.2-12.7 HE2 LYS 75 - HB3 LYS 73 far 4 89 5 - 5.1-12.9 HE3 LYS 75 - HB3 LYS 73 far 4 87 5 - 3.7-11.6 HE3 LYS 32 - HB2 LYS 13 far 4 73 5 - 5.2-25.1 HE2 LYS 32 - HB2 LYS 13 far 4 71 5 - 4.2-25.8 HE2 LYS 73 - HB3 LYS 75 far 0 63 0 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 0 94 0 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 99 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 100 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.2-30.8 HE2 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 99 0 - 9.7-21.7 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.30 A): 8 out of 20 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-5.0 4.7=77, 1916/2.9=38...(45) HE2 LYS 39 + HB3 LYS 39 OK 95 100 95 100 2.0-5.3 4.7=77, 1916/2.9=38...(44) HE2 LYS 13 + HB2 LYS 13 OK 92 93 100 99 2.4-4.8 5.2=56, 1064/3.0=23...(29) HE3 LYS 13 + HB2 LYS 13 OK 91 92 100 99 2.0-5.1 5.2=56, 1064/3.0=24...(37) HE2 LYS 75 + HB3 LYS 75 OK 72 76 95 100 2.0-5.2 5.0=65, ~3128=27...(36) HE3 LYS 75 + HB3 LYS 75 OK 70 74 95 100 2.5-5.2 5.0=65, 6090/3.0=29...(36) HE3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.0-4.8 4.7=77, ~3020=28...(35) HE2 LYS 73 + HB3 LYS 73 OK 63 67 95 100 2.9-5.4 4.7=77, ~3020=28...(35) HE3 LYS 73 - HB3 LYS 75 far 6 56 10 - 4.2-12.7 HE2 LYS 75 - HB3 LYS 73 far 4 85 5 - 5.1-12.9 HE3 LYS 75 - HB3 LYS 73 far 4 83 5 - 3.7-11.6 HE3 LYS 32 - HB2 LYS 13 far 3 68 5 - 5.2-25.1 HE2 LYS 32 - HB2 LYS 13 far 3 65 5 - 4.2-25.8 HE2 LYS 73 - HB3 LYS 75 far 0 58 0 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 0 94 0 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 99 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 100 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.2-30.8 HE2 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 100 0 - 9.7-21.7 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 2.9-4.2 595=100, 596/1.8=91...(20) 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 7 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.6-4.2 4.1=100 HA ASP 38 - HG2 LYS 39 far 0 60 0 - 5.9-7.6 HB THR 37 - HG2 LYS 39 far 0 65 0 - 6.3-9.2 HA ALA 20 - HG2 LYS 39 far 0 97 0 - 7.5-19.8 HA GLU 19 - HG2 LYS 39 far 0 99 0 - 8.7-21.3 HA THR 15 - HG2 LYS 39 far 0 100 0 - 9.2-23.6 HA ARG 17 - HG2 LYS 39 far 0 63 0 - 9.4-20.2 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 3 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-2.4 2.9=100 HB3 PRO 34 - HG2 LYS 39 far 0 85 0 - 8.0-10.6 HB2 ARG 17 - HG2 LYS 39 far 0 92 0 - 8.7-20.8 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 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 33 - HG2 LYS 39 far 0 93 0 - 7.1-9.0 HB2 PRO 34 - HG2 LYS 39 far 0 100 0 - 7.3-10.4 HB2 ARG 54 - HG2 LYS 39 far 0 89 0 - 7.8-10.5 HB2 ARG 69 - HG2 LYS 39 far 0 83 0 - 8.5-12.5 HG2 PRO 34 - HG2 LYS 39 far 0 76 0 - 8.8-10.4 HB2 LYS 13 - HG2 LYS 39 far 0 99 0 - 9.0-29.0 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 5 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 20 - HG2 LYS 39 far 0 65 0 - 7.0-17.8 HG3 ARG 69 - HG2 LYS 39 far 0 63 0 - 7.5-14.0 HB3 ARG 69 - HG2 LYS 39 far 0 97 0 - 8.3-11.8 HG2 LYS 13 - HG2 LYS 39 far 0 85 0 - 9.6-30.8 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.48 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=59, 1.8/1886=31...(44) * HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=59, 1.8/1886=31...(42) HB3 LEU 51 - HG2 LYS 39 far 0 90 0 - 6.1-7.6 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 9.4-13.2 Violated in 1 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.48 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=59, 1.8/1886=31...(44) HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=59, 1.8/1886=31...(42) HB3 LEU 51 - HG2 LYS 39 far 0 89 0 - 6.1-7.6 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 9.4-13.2 Violated in 1 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (2.98, 1.55, 25.35 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-4.0 3.6=100 HB3 TYR 81 - HG2 LYS 39 far 0 100 0 - 8.9-34.0 HE3 LYS 73 - HG2 LYS 39 far 0 71 0 - 9.7-14.2 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 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-4.0 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 3.6=100 HB3 TYR 81 - HG2 LYS 39 far 0 100 0 - 8.9-34.0 HE3 LYS 73 - HG2 LYS 39 far 0 65 0 - 9.7-14.2 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 2.7-4.4 596=100, 595/1.8=91...(17) 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 2.4-3.6 1837=100, 1836/1.8=77...(26) HA ASP 38 - HG3 LYS 39 far 0 60 0 - 5.7-7.2 HB THR 37 - HG3 LYS 39 far 0 65 0 - 6.2-9.8 HA ALA 20 - HG3 LYS 39 far 0 97 0 - 8.9-21.5 HA THR 15 - HG3 LYS 39 far 0 100 0 - 9.6-25.3 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 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 PRO 34 - HG3 LYS 39 far 0 85 0 - 9.1-11.4 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 HB ILE 33 - HG3 LYS 39 far 0 93 0 - 7.5-10.3 HB2 ARG 54 - HG3 LYS 39 far 0 89 0 - 8.1-10.1 HB2 ARG 69 - HG3 LYS 39 far 0 83 0 - 8.2-12.0 HB2 LYS 13 - HG3 LYS 39 far 0 99 0 - 8.6-30.7 HB2 PRO 34 - HG3 LYS 39 far 0 100 0 - 8.9-11.3 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 4 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 - 8.9-11.3 HG3 ARG 54 - HG3 LYS 39 far 0 63 0 - 9.6-12.8 HG LEU 64 - HG3 LYS 39 far 0 99 0 - 9.7-13.3 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; 2.82 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(49) * HD2 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(47) HB3 LEU 51 - HG3 LYS 39 far 0 90 0 - 5.8-7.6 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 9.6-12.8 HD3 LYS 73 - HG3 LYS 39 far 0 65 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (1.58, 1.40, 25.35 ppm; 2.82 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(49) HD2 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(47) HB3 LEU 51 - HG3 LYS 39 far 0 89 0 - 5.8-7.6 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 9.6-12.8 HD3 LYS 73 - HG3 LYS 39 far 0 63 0 - 9.9-14.6 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 5 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 73 - HG3 LYS 39 far 0 71 0 - 9.1-13.3 HB3 TYR 81 - HG3 LYS 39 far 0 100 0 - 9.2-33.2 HE2 LYS 73 - HG3 LYS 39 far 0 73 0 - 9.9-13.1 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 5 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HE3 LYS 73 - HG3 LYS 39 far 0 65 0 - 9.1-13.3 HB3 TYR 81 - HG3 LYS 39 far 0 100 0 - 9.2-33.2 HE2 LYS 73 - HG3 LYS 39 far 0 68 0 - 9.9-13.1 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 1.9-5.1 1837/3.0=83, 1836/3.0=75...(50) * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-5.1 1837/3.0=83, 1838=78...(49) HA LYS 75 - HD3 LYS 73 far 10 64 15 - 4.4-10.6 HA THR 15 - HD3 LYS 32 far 9 59 15 - 4.7-27.1 HA ALA 77 - HD2 LYS 73 far 8 52 15 - 5.0-17.0 HA LYS 75 - HD2 LYS 73 far 6 64 10 - 3.7-11.0 HA ALA 77 - HD3 LYS 73 far 5 52 10 - 4.2-16.7 HA THR 15 - HD2 LYS 32 far 3 65 5 - 5.3-28.7 HA ASP 38 - HD2 LYS 39 far 0 60 0 - 5.5-8.9 HA ASP 38 - HD3 LYS 39 far 0 60 0 - 5.5-8.1 HA ALA 12 - HD2 LYS 32 far 0 62 0 - 5.9-30.3 HA ALA 12 - HD3 LYS 32 far 0 57 0 - 6.3-28.7 HA ARG 17 - HD3 LYS 32 far 0 31 0 - 6.9-24.8 HA ARG 17 - HD2 LYS 32 far 0 34 0 - 8.0-26.2 HB THR 37 - HD3 LYS 39 far 0 65 0 - 8.0-10.0 HA THR 15 - HD2 LYS 39 far 0 100 0 - 8.3-24.8 HA THR 15 - HD3 LYS 39 far 0 100 0 - 8.3-23.0 HA ASP 38 - HD2 LYS 73 far 0 32 0 - 8.4-12.3 HB THR 37 - HD2 LYS 39 far 0 65 0 - 8.5-10.7 HA ASP 38 - HD3 LYS 73 far 0 32 0 - 8.6-12.3 HA ALA 20 - HD3 LYS 39 far 0 97 0 - 8.6-20.5 HA SER 60 - HD2 LYS 32 far 0 34 0 - 9.0-14.7 HA ALA 12 - HD2 LYS 39 far 0 99 0 - 9.1-33.9 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 9.1-22.3 HA LYS 39 - HD3 LYS 73 far 0 65 0 - 9.2-13.1 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 9.3-21.5 HA LYS 39 - HD2 LYS 73 far 0 65 0 - 9.5-13.6 HA ALA 20 - HD2 LYS 39 far 0 97 0 - 9.6-22.1 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 20 assignments used, quality = 1.00: HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-4.2 3.5=92, 593/598=39...(62) * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=92, 3.0/1838=37...(62) HB2 LYS 75 - HD3 LYS 73 far 9 58 15 - 3.0-12.3 HB2 LYS 75 - HD2 LYS 73 far 3 58 5 - 3.1-12.8 HB3 PRO 34 - HD3 LYS 32 far 0 45 0 - 6.4-10.9 HB3 PRO 34 - HD2 LYS 32 far 0 49 0 - 6.8-10.8 HB2 MET 11 - HD3 LYS 32 far 0 28 0 - 7.4-31.9 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 7.7-12.5 HB2 ARG 71 - HD3 LYS 73 far 0 65 0 - 7.7-11.6 HB2 MET 11 - HD2 LYS 32 far 0 31 0 - 8.0-33.4 HB2 ARG 17 - HD3 LYS 39 far 0 92 0 - 8.0-22.2 HB2 ARG 17 - HD3 LYS 32 far 0 50 0 - 8.1-26.3 HB2 ARG 71 - HD2 LYS 73 far 0 65 0 - 8.4-11.5 HB2 ARG 17 - HD2 LYS 32 far 0 55 0 - 8.4-27.7 HB2 MET 11 - HD2 LYS 39 far 0 57 0 - 8.7-37.4 HB3 ARG 71 - HD3 LYS 73 far 0 65 0 - 8.7-11.7 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 8.8-12.5 HB3 ARG 71 - HD2 LYS 73 far 0 65 0 - 9.1-11.8 HB2 ARG 66 - HD2 LYS 73 far 0 46 0 - 9.5-13.7 HB2 ARG 17 - HD2 LYS 39 far 0 92 0 - 9.6-22.3 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 33 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-3.7 3.5=69, 2.9/1886=31...(43) * HB3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.3-3.9 3.5=69, 2.9/1886=31...(43) HB2 LYS 32 + HD2 LYS 32 OK 60 61 100 98 2.1-3.6 3.5=72, ~1558=14...(49) HB3 LYS 32 + HD2 LYS 32 OK 60 61 100 98 2.0-3.9 3.5=72, 1581/1.8=17...(49) HB3 LYS 73 + HD3 LYS 73 OK 60 64 100 93 2.8-3.7 3.5=68, 788/6.1=13...(30) HB3 LYS 73 + HD2 LYS 73 OK 57 64 95 93 2.0-4.2 3.5=68, 788/791=13...(30) HB3 LYS 32 + HD3 LYS 32 OK 55 56 100 98 2.0-3.5 3.5=72, ~1558=14...(49) HB2 LYS 32 + HD3 LYS 32 OK 44 56 80 98 2.1-4.1 3.5=72, 1581/1.8=17...(49) HB3 LYS 75 - HD2 LYS 73 far 3 64 5 - 3.6-12.7 HB3 LYS 75 - HD3 LYS 73 far 3 64 5 - 3.6-11.8 HB2 LYS 13 - HD2 LYS 32 far 3 63 5 - 3.2-25.8 HB2 LYS 13 - HD3 LYS 32 far 0 58 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 47 0 - 5.7-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 47 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 99 0 - 6.3-30.6 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 51 0 - 7.4-9.4 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 38 0 - 7.5-10.1 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 7.5-10.7 HB ILE 33 - HD2 LYS 32 far 0 56 0 - 7.6-9.3 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 7.6-11.2 HB2 PRO 34 - HD2 LYS 32 far 0 65 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 42 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 83 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.7-11.1 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 90 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 1886 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 2.47 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=58, 1869/1.8=30...(43) * HG2 LYS 39 + HD2 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=58, 1868/1.8=30...(41) HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 8.5-11.9 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.6-13.3 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.7-11.6 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.7-13.3 HG LEU 62 - HD3 LYS 39 far 0 87 0 - 9.8-14.2 HG LEU 64 - HD3 LYS 39 far 0 99 0 - 10.0-13.5 Violated in 1 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (1.40, 1.58, 28.78 ppm; 3.31 A): 4 out of 28 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 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 - HD2 LYS 73 poor 12 34 35 - 3.3-8.6 HG3 LYS 75 - HD3 LYS 73 far 8 55 15 - 3.9-11.8 QB ALA 78 - HD2 LYS 73 far 5 52 10 - 3.4-16.9 QB ALA 77 - HD3 LYS 73 far 3 32 10 - 2.0-14.8 QB ALA 77 - HD2 LYS 73 far 3 32 10 - 2.4-15.5 HB3 ARG 69 - HD2 LYS 73 far 3 61 5 - 4.0-9.4 HG3 LYS 75 - HD2 LYS 73 far 3 55 5 - 2.4-11.2 HG2 LYS 75 - HD2 LYS 73 far 3 55 5 - 4.1-12.3 QB ALA 78 - HD3 LYS 73 far 3 52 5 - 3.5-16.7 HB3 ARG 69 - HD3 LYS 73 far 0 61 0 - 4.7-9.2 HG3 ARG 69 - HD3 LYS 73 far 0 34 0 - 4.7-8.6 HG2 LYS 75 - HD3 LYS 73 far 0 55 0 - 5.2-11.9 HG2 LYS 13 - HD2 LYS 32 far 0 49 0 - 5.5-27.3 HG2 LYS 13 - HD2 LYS 39 far 0 85 0 - 6.6-30.0 HG2 LYS 13 - HD3 LYS 32 far 0 45 0 - 6.9-26.3 QB ALA 20 - HD3 LYS 73 far 0 36 0 - 7.7-23.1 HG3 ARG 69 - HD2 LYS 39 far 0 63 0 - 7.8-13.9 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.8-18.4 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 7.9-28.9 HG3 ARG 69 - HD3 LYS 39 far 0 63 0 - 8.2-14.0 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 9.0-19.7 QB ALA 20 - HD2 LYS 73 far 0 36 0 - 9.1-22.1 HG3 LYS 39 - HD3 LYS 73 far 0 65 0 - 9.9-14.6 QB ALA 53 - HD3 LYS 39 far 0 96 0 - 9.9-12.9 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 27 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 2.6-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 41 41 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 41 41 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 38 38 100 100 2.5-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 75 - HD3 LYS 73 far 3 53 5 - 2.9-14.6 HE3 LYS 75 - HD3 LYS 73 far 3 52 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 3 52 5 - 3.5-13.7 HE2 LYS 75 - HD2 LYS 73 far 0 53 0 - 4.6-14.7 HE2 LYS 13 - HD2 LYS 32 far 0 61 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 55 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 60 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 54 0 - 7.0-25.0 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.2-31.0 HE3 LYS 73 - HD2 LYS 39 far 0 71 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 100 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 71 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 10.0-29.2 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 27 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 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 2.6-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 37 37 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 35 35 100 100 2.5-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 34 34 100 100 2.2-3.0 3.0=100 HE2 LYS 75 - HD3 LYS 73 far 3 50 5 - 2.9-14.6 HE3 LYS 75 - HD3 LYS 73 far 2 49 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 2 49 5 - 3.5-13.7 HE2 LYS 75 - HD2 LYS 73 far 0 50 0 - 4.6-14.7 HE2 LYS 13 - HD2 LYS 32 far 0 58 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 53 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 57 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 52 0 - 7.0-25.0 HE3 LYS 13 - HD2 LYS 39 far 0 95 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 9.2-31.0 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 100 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 65 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 94 0 - 10.0-29.2 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 1.9-5.1 1837/3.0=84, 1836/3.0=75...(50) HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-5.1 1837/3.0=84, 1839=78...(49) HA LYS 75 - HD3 LYS 73 far 9 61 15 - 4.4-10.6 HA ALA 77 - HD2 LYS 73 far 7 50 15 - 5.0-17.0 HA LYS 75 - HD2 LYS 73 far 6 61 10 - 3.7-11.0 HA ALA 77 - HD3 LYS 73 far 5 50 10 - 4.2-16.7 HA THR 15 - HD2 LYS 32 far 3 62 5 - 5.3-28.7 HA ASP 38 - HD2 LYS 39 far 0 60 0 - 5.5-8.9 HA ASP 38 - HD3 LYS 39 far 0 60 0 - 5.5-8.1 HA ALA 12 - HD2 LYS 32 far 0 60 0 - 5.9-30.3 HA ARG 17 - HD2 LYS 32 far 0 32 0 - 8.0-26.2 HB THR 37 - HD3 LYS 39 far 0 65 0 - 8.0-10.0 HA THR 15 - HD2 LYS 39 far 0 100 0 - 8.3-24.8 HA THR 15 - HD3 LYS 39 far 0 100 0 - 8.3-23.0 HA ASP 38 - HD2 LYS 73 far 0 31 0 - 8.4-12.3 HB THR 37 - HD2 LYS 39 far 0 65 0 - 8.5-10.7 HA ASP 38 - HD3 LYS 73 far 0 31 0 - 8.6-12.3 HA ALA 20 - HD3 LYS 39 far 0 97 0 - 8.6-20.5 HA SER 60 - HD2 LYS 32 far 0 32 0 - 9.0-14.7 HA ALA 12 - HD2 LYS 39 far 0 99 0 - 9.1-33.9 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 9.1-22.3 HA LYS 39 - HD3 LYS 73 far 0 63 0 - 9.2-13.1 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 9.3-21.5 HA LYS 39 - HD2 LYS 73 far 0 63 0 - 9.5-13.6 HA ALA 20 - HD2 LYS 39 far 0 97 0 - 9.6-22.1 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 17 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-4.2 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 8 56 15 - 3.0-12.3 HB2 LYS 75 - HD2 LYS 73 far 3 56 5 - 3.1-12.8 HB3 PRO 34 - HD2 LYS 32 far 0 47 0 - 6.8-10.8 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 7.7-12.5 HB2 ARG 71 - HD3 LYS 73 far 0 63 0 - 7.7-11.6 HB2 MET 11 - HD2 LYS 32 far 0 29 0 - 8.0-33.4 HB2 ARG 17 - HD3 LYS 39 far 0 92 0 - 8.0-22.2 HB2 ARG 71 - HD2 LYS 73 far 0 63 0 - 8.4-11.5 HB2 ARG 17 - HD2 LYS 32 far 0 52 0 - 8.4-27.7 HB2 MET 11 - HD2 LYS 39 far 0 57 0 - 8.7-37.4 HB3 ARG 71 - HD3 LYS 73 far 0 63 0 - 8.7-11.7 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 8.8-12.5 HB3 ARG 71 - HD2 LYS 73 far 0 63 0 - 9.1-11.8 HB2 ARG 66 - HD2 LYS 73 far 0 44 0 - 9.5-13.7 HB2 ARG 17 - HD2 LYS 39 far 0 92 0 - 9.6-22.3 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 27 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.7 3.5=90, 594/598=36...(45) HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.9 3.5=90, 3.0/1839=36...(46) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.0-4.2 3.5=89, 788/6.1=17...(30) HB3 LYS 73 + HD3 LYS 73 OK 61 62 100 98 2.8-3.7 3.5=89, 788/6.1=17...(30) HB2 LYS 32 + HD2 LYS 32 OK 59 59 100 100 2.1-3.6 3.5=94, ~1558=18...(49) HB3 LYS 32 + HD2 LYS 32 OK 59 59 100 100 2.0-3.9 3.5=94, 1581/1.8=19...(49) HB3 LYS 75 - HD2 LYS 73 far 6 62 10 - 3.6-12.7 HB3 LYS 75 - HD3 LYS 73 far 6 62 10 - 3.6-11.8 HB2 LYS 13 - HD2 LYS 32 far 3 60 5 - 3.2-25.8 HB2 ARG 69 - HD2 LYS 73 far 0 45 0 - 5.7-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 45 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 99 0 - 6.3-30.6 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 7.2-10.9 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 7.5-10.7 HB ILE 33 - HD2 LYS 32 far 0 54 0 - 7.6-9.3 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 7.6-11.2 HB2 PRO 34 - HD2 LYS 32 far 0 62 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 40 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 83 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.7-11.1 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 90 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 2.51 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 97 100 100 97 2.3-3.0 3.0=61, 1869/1.8=31...(45) HG2 LYS 39 + HD2 LYS 39 OK 97 100 100 97 2.2-3.0 3.0=61, 1868/1.8=31...(43) HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 8.5-11.9 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.6-13.3 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.7-11.6 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.7-13.3 HG LEU 62 - HD3 LYS 39 far 0 87 0 - 9.8-14.2 HG LEU 64 - HD3 LYS 39 far 0 99 0 - 10.0-13.5 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 27 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 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 HG3 ARG 69 - HD2 LYS 73 poor 11 32 35 - 3.3-8.6 HG3 LYS 75 - HD3 LYS 73 far 8 52 15 - 3.9-11.8 QB ALA 78 - HD2 LYS 73 far 5 50 10 - 3.4-16.9 QB ALA 77 - HD3 LYS 73 far 3 31 10 - 2.0-14.8 QB ALA 77 - HD2 LYS 73 far 3 31 10 - 2.4-15.5 HB3 ARG 69 - HD2 LYS 73 far 3 58 5 - 4.0-9.4 HG3 LYS 75 - HD2 LYS 73 far 3 52 5 - 2.4-11.2 HG2 LYS 75 - HD2 LYS 73 far 3 52 5 - 4.1-12.3 QB ALA 78 - HD3 LYS 73 far 2 50 5 - 3.5-16.7 HB3 ARG 69 - HD3 LYS 73 far 0 58 0 - 4.7-9.2 HG3 ARG 69 - HD3 LYS 73 far 0 32 0 - 4.7-8.6 HG2 LYS 75 - HD3 LYS 73 far 0 52 0 - 5.2-11.9 HG2 LYS 13 - HD2 LYS 32 far 0 47 0 - 5.5-27.3 HG2 LYS 13 - HD2 LYS 39 far 0 85 0 - 6.6-30.0 QB ALA 20 - HD3 LYS 73 far 0 34 0 - 7.7-23.1 HG3 ARG 69 - HD2 LYS 39 far 0 63 0 - 7.8-13.9 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.8-18.4 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 7.9-28.9 HG3 ARG 69 - HD3 LYS 39 far 0 63 0 - 8.2-14.0 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 9.0-19.7 QB ALA 20 - HD2 LYS 73 far 0 34 0 - 9.1-22.1 HG3 LYS 39 - HD3 LYS 73 far 0 63 0 - 9.9-14.6 QB ALA 53 - HD3 LYS 39 far 0 96 0 - 9.9-12.9 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 23 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 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 40 40 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 39 39 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE3 LYS 75 - HD2 LYS 73 far 5 50 10 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 3 51 5 - 2.9-14.6 HE3 LYS 75 - HD3 LYS 73 far 2 50 5 - 2.1-14.1 HE2 LYS 75 - HD2 LYS 73 far 0 51 0 - 4.6-14.7 HE2 LYS 13 - HD2 LYS 32 far 0 58 0 - 5.0-27.6 HE3 LYS 13 - HD2 LYS 32 far 0 57 0 - 6.3-26.2 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.2-31.0 HE3 LYS 73 - HD2 LYS 39 far 0 71 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 100 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 71 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 63 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 10.0-29.2 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 23 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 2.4-3.0 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 2.6-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 36 36 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE3 LYS 75 - HD2 LYS 73 far 5 47 10 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 2 48 5 - 2.9-14.6 HE3 LYS 75 - HD3 LYS 73 far 2 47 5 - 2.1-14.1 HE2 LYS 75 - HD2 LYS 73 far 0 48 0 - 4.6-14.7 HE2 LYS 13 - HD2 LYS 32 far 0 56 0 - 5.0-27.6 HE3 LYS 13 - HD2 LYS 32 far 0 55 0 - 6.3-26.2 HE3 LYS 13 - HD2 LYS 39 far 0 94 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 9.2-31.0 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 100 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 65 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 63 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 95 0 - 10.0-29.2 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (1.85, 2.98, 41.78 ppm; 4.16 A): 4 out of 27 assignments used, quality = 1.00: HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.1-4.7 4.7=70, 1884/3.0=37...(52) * HB2 LYS 39 + HE2 LYS 39 OK 95 100 95 100 2.9-5.1 4.7=70, 1884/3.0=37...(51) HB2 LYS 75 + HE2 LYS 75 OK 78 83 95 100 3.1-5.3 5.0=59, 3128/2.9=36...(39) HB2 LYS 75 + HE3 LYS 75 OK 73 81 90 100 2.4-5.3 5.0=59, 3128/2.9=36...(39) HB2 MET 11 - HE2 LYS 13 far 5 50 10 - 4.8-10.9 HB2 MET 11 - HE3 LYS 13 far 5 49 10 - 4.7-10.7 HB3 ARG 71 - HE3 LYS 75 far 4 89 5 - 4.9-16.9 HB2 LYS 75 - HE2 LYS 73 far 3 66 5 - 4.5-14.3 HB2 LYS 75 - HE3 LYS 73 far 3 63 5 - 3.0-13.9 HB3 ARG 71 - HE2 LYS 75 far 0 90 0 - 5.5-16.6 HB2 ARG 17 - HE3 LYS 32 far 0 64 0 - 5.6-26.4 HB2 ARG 71 - HE3 LYS 75 far 0 88 0 - 6.2-17.0 HB2 ARG 71 - HE2 LYS 75 far 0 90 0 - 6.4-16.4 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 6.7-12.4 HB2 ARG 17 - HE2 LYS 32 far 0 62 0 - 6.8-27.5 HB3 PRO 34 - HE2 LYS 32 far 0 56 0 - 6.8-12.1 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 7.0-13.6 HB2 MET 11 - HE3 LYS 32 far 0 37 0 - 7.7-32.3 HB3 PRO 34 - HE3 LYS 32 far 0 58 0 - 7.7-12.0 HB2 ARG 17 - HE2 LYS 39 far 0 92 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 87 0 - 8.6-25.1 HB2 ARG 71 - HE3 LYS 73 far 0 71 0 - 8.9-12.2 HB2 MET 11 - HE3 LYS 39 far 0 57 0 - 9.0-37.4 HB2 MET 11 - HE2 LYS 32 far 0 35 0 - 9.3-33.1 HB2 ARG 66 - HE3 LYS 73 far 0 50 0 - 9.3-15.1 HB3 ARG 71 - HE3 LYS 73 far 0 71 0 - 9.4-12.5 HB2 ARG 71 - HE2 LYS 73 far 0 73 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 3.74 A): 12 out of 48 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 94 100 95 99 3.0-5.0 4.7=51, 2.9/1906=31...(40) * HB3 LYS 39 + HE2 LYS 39 OK 80 100 80 99 2.0-5.3 4.7=51, 2.9/1906=31...(39) HB2 LYS 13 + HE2 LYS 13 OK 71 92 80 96 2.4-4.8 5.2=37, 3.0/1064=17...(29) HB3 LYS 32 + HE2 LYS 32 OK 68 69 100 99 2.2-4.5 4.6=55, ~1638=18...(43) HB3 LYS 32 + HE3 LYS 32 OK 67 72 95 99 2.1-4.9 4.6=55, ~1628=18...(43) HB2 LYS 13 + HE3 LYS 13 OK 66 91 75 97 2.0-5.1 5.2=37, 3.0/1064=18...(37) HB3 LYS 75 + HE3 LYS 75 OK 64 87 75 98 2.5-5.2 5.0=43, 3.0/6090=22...(36) HB2 LYS 32 + HE3 LYS 32 OK 60 72 85 99 2.7-5.1 4.6=55, ~1628=18...(43) HB3 LYS 75 + HE2 LYS 75 OK 57 89 65 98 2.0-5.2 5.0=43, ~3128=20...(36) HB3 LYS 73 + HE2 LYS 73 OK 55 72 80 96 2.9-5.4 4.7=51, ~3020=21...(30) HB3 LYS 73 + HE3 LYS 73 OK 53 70 80 96 2.0-4.8 4.7=51, ~3020=21...(30) HB2 LYS 32 + HE2 LYS 32 OK 51 69 75 99 2.8-5.3 4.6=55, ~1638=18...(43) HB3 LYS 73 - HE3 LYS 75 far 4 87 5 - 3.7-11.6 HB3 ARG 82 - HE3 LYS 13 far 4 79 5 - 4.5-58.7 HB2 LYS 13 - HE2 LYS 32 far 4 71 5 - 4.2-25.8 HB3 LYS 75 - HE3 LYS 73 far 3 70 5 - 4.2-12.7 HB3 ARG 82 - HE2 LYS 13 far 0 80 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 89 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 73 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 72 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 52 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 54 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 88 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 89 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 48 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 73 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 50 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 66 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 63 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 99 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 99 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 75 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 83 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 83 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 90 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 90 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 63 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 69 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.52 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.9 3.6=95, 1886/3.0=37...(55) HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.5-4.0 3.6=95, 1886/3.0=37...(45) HG2 ARG 82 - HE3 LYS 13 far 0 73 0 - 5.1-58.5 HG2 ARG 82 - HE2 LYS 13 far 0 74 0 - 5.7-59.0 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 7.3-10.9 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 7.7-11.3 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 8.4-12.0 HG LEU 64 - HE2 LYS 39 far 0 99 0 - 9.5-15.2 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 9.5-12.8 HG2 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.7-14.2 HG3 ARG 23 - HE2 LYS 75 far 0 88 0 - 9.8-26.9 HB3 ARG 54 - HE3 LYS 13 far 0 94 0 - 9.9-32.0 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.09 A): 10 out of 53 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.0-3.7 3.6=64, 1.8/1906=28...(56) HG3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.0-4.0 3.6=64, 1.8/1906=28...(48) HG3 LYS 75 + HE3 LYS 75 OK 74 77 100 97 2.1-3.9 3.5=69, 3.9/6090=12...(62) HG2 LYS 75 + HE2 LYS 75 OK 72 78 95 97 2.1-4.0 3.5=69, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE2 LYS 75 OK 72 78 95 97 2.1-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 13 + HE2 LYS 13 OK 70 76 95 97 2.0-4.2 3.8=53, 1043/2.9=19...(55) HG2 LYS 75 + HE3 LYS 75 OK 67 77 90 97 2.2-4.2 3.5=69, 3.9/6090=12...(62) HG2 LYS 13 + HE3 LYS 13 OK 65 75 90 97 2.2-4.2 3.8=53, 1043/2.9=19...(55) HG3 LYS 73 + HE2 LYS 73 OK 54 59 100 91 2.6-4.0 3.7=58, 2963/6.1=9...(49) HG3 LYS 73 + HE3 LYS 73 OK 41 57 80 91 2.4-4.1 3.7=58, 2963/6.1=9...(49) HG3 LYS 73 - HE2 LYS 75 far 8 75 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 4 37 10 - 3.2-9.3 HG3 LYS 73 - HE3 LYS 75 far 4 73 5 - 2.2-12.2 QB ALA 77 - HE3 LYS 73 far 4 35 10 - 2.6-15.7 QB ALA 78 - HE3 LYS 73 far 3 57 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 2 39 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 2 37 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 53 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 52 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 60 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 66 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 59 0 - 4.7-18.3 HG2 LYS 13 - HE2 LYS 32 far 0 56 0 - 5.1-27.9 HB3 ARG 69 - HE2 LYS 73 far 0 68 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 62 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 49 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 47 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 60 0 - 5.6-13.6 HG2 LYS 13 - HE3 LYS 32 far 0 58 0 - 5.7-26.7 QB ALA 78 - HE3 LYS 75 far 0 73 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 75 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 62 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 41 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 51 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 7.9-15.5 HG2 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.0-31.0 HG3 ARG 69 - HE2 LYS 39 far 0 63 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 39 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 50 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 79 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 85 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 83 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 80 0 - 9.1-44.1 HG2 LYS 13 - HE2 LYS 39 far 0 85 0 - 9.1-30.0 QB ALA 20 - HE3 LYS 13 far 0 56 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 57 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 95 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 73 0 - 9.9-13.1 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 38 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 2.6-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 41 41 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 41 41 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 38 38 100 100 2.5-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HD3 LYS 73 - HE2 LYS 75 far 3 53 5 - 2.9-14.6 HD3 LYS 73 - HE3 LYS 75 far 3 52 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 3 52 5 - 3.5-13.7 HG3 ARG 70 - HE2 LYS 75 far 2 49 5 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 53 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 90 0 - 4.7-8.5 HG3 ARG 70 - HE3 LYS 75 far 0 47 0 - 4.8-17.6 HD2 LYS 32 - HE2 LYS 13 far 0 57 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 35 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 37 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 52 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 90 0 - 5.6-9.2 HD2 LYS 32 - HE3 LYS 13 far 0 56 0 - 6.3-26.2 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 6.7-11.3 HB3 LEU 29 - HE3 LYS 32 far 0 75 0 - 6.9-11.3 HD3 LYS 32 - HE3 LYS 13 far 0 51 0 - 7.0-25.0 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 8.9-30.5 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 89 0 - 9.5-60.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 9.5-12.8 HB3 LEU 51 - HE3 LYS 73 far 0 58 0 - 9.6-15.0 HD2 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.7-15.5 HD3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.9-16.0 HB3 LEU 29 - HE2 LYS 13 far 0 94 0 - 9.9-23.6 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 10.0-29.2 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 30 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 2.6-3.0 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 2.4-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 39 39 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 LYS 73 - HE2 LYS 75 far 3 51 5 - 2.9-14.6 HD3 LYS 73 - HE3 LYS 75 far 2 50 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 2 50 5 - 3.5-13.7 HD2 LYS 73 - HE2 LYS 75 far 0 51 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 88 0 - 4.7-8.5 HD2 LYS 32 - HE2 LYS 13 far 0 55 0 - 5.0-27.6 HB3 LEU 51 - HE2 LYS 39 far 0 89 0 - 5.6-9.2 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 6.3-26.2 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 6.7-11.3 HB3 LEU 29 - HE3 LYS 32 far 0 76 0 - 6.9-11.3 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 8.9-30.5 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 88 0 - 9.5-60.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 9.5-12.8 HB3 LEU 51 - HE3 LYS 73 far 0 57 0 - 9.6-15.0 HD2 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.7-15.5 HD3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.9-16.0 HB3 LEU 29 - HE2 LYS 13 far 0 94 0 - 9.9-23.6 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 10.0-29.2 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; 4.16 A): 4 out of 27 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.1-4.7 4.7=70, 1884/3.0=37...(52) HB2 LYS 39 + HE2 LYS 39 OK 95 100 95 100 2.9-5.1 4.7=70, 1884/3.0=37...(51) HB2 LYS 75 + HE2 LYS 75 OK 75 79 95 100 3.1-5.3 5.0=59, 3128/2.9=36...(39) HB2 LYS 75 + HE3 LYS 75 OK 69 77 90 100 2.4-5.3 5.0=59, 3128/2.9=36...(39) HB2 MET 11 - HE2 LYS 13 far 5 48 10 - 4.8-10.9 HB2 MET 11 - HE3 LYS 13 far 5 47 10 - 4.7-10.7 HB3 ARG 71 - HE3 LYS 75 far 4 85 5 - 4.9-16.9 HB2 LYS 75 - HE2 LYS 73 far 3 61 5 - 4.5-14.3 HB2 LYS 75 - HE3 LYS 73 far 3 58 5 - 3.0-13.9 HB3 ARG 71 - HE2 LYS 75 far 0 87 0 - 5.5-16.6 HB2 ARG 17 - HE3 LYS 32 far 0 60 0 - 5.6-26.4 HB2 ARG 71 - HE3 LYS 75 far 0 85 0 - 6.2-17.0 HB2 ARG 71 - HE2 LYS 75 far 0 87 0 - 6.4-16.4 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 6.7-12.4 HB2 ARG 17 - HE2 LYS 32 far 0 57 0 - 6.8-27.5 HB3 PRO 34 - HE2 LYS 32 far 0 51 0 - 6.8-12.1 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 7.0-13.6 HB2 MET 11 - HE3 LYS 32 far 0 34 0 - 7.7-32.3 HB3 PRO 34 - HE3 LYS 32 far 0 53 0 - 7.7-12.0 HB2 ARG 17 - HE2 LYS 39 far 0 92 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 83 0 - 8.6-25.1 HB2 ARG 71 - HE3 LYS 73 far 0 65 0 - 8.9-12.2 HB2 MET 11 - HE3 LYS 39 far 0 57 0 - 9.0-37.4 HB2 MET 11 - HE2 LYS 32 far 0 32 0 - 9.3-33.1 HB2 ARG 66 - HE3 LYS 73 far 0 46 0 - 9.3-15.1 HB3 ARG 71 - HE3 LYS 73 far 0 65 0 - 9.4-12.5 HB2 ARG 71 - HE2 LYS 73 far 0 68 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 3.74 A): 12 out of 48 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 94 100 95 99 3.0-5.0 4.7=51, 2.9/1916=31...(40) HB3 LYS 39 + HE2 LYS 39 OK 80 100 80 99 2.0-5.3 4.7=51, 2.9/1916=31...(39) HB2 LYS 13 + HE2 LYS 13 OK 69 90 80 96 2.4-4.8 5.2=37, 3.0/1064=16...(29) HB2 LYS 13 + HE3 LYS 13 OK 65 89 75 97 2.0-5.1 5.2=37, 3.0/1064=17...(37) HB3 LYS 32 + HE2 LYS 32 OK 63 64 100 99 2.2-4.5 4.6=55, ~1638=18...(43) HB3 LYS 32 + HE3 LYS 32 OK 63 67 95 99 2.1-4.9 4.6=55, ~1628=18...(43) HB3 LYS 75 + HE3 LYS 75 OK 62 84 75 98 2.5-5.2 5.0=43, 3.0/6090=22...(36) HB2 LYS 32 + HE3 LYS 32 OK 56 67 85 99 2.7-5.1 4.6=55, ~1628=18...(43) HB3 LYS 75 + HE2 LYS 75 OK 55 86 65 98 2.0-5.2 5.0=43, ~3128=20...(36) HB3 LYS 73 + HE2 LYS 73 OK 51 67 80 96 2.9-5.4 4.7=51, ~3020=21...(30) HB3 LYS 73 + HE3 LYS 73 OK 49 64 80 96 2.0-4.8 4.7=51, ~3020=21...(30) HB2 LYS 32 + HE2 LYS 32 OK 48 64 75 99 2.8-5.3 4.6=55, ~1638=18...(43) HB3 LYS 73 - HE3 LYS 75 far 4 84 5 - 3.7-11.6 HB3 ARG 82 - HE3 LYS 13 far 4 76 5 - 4.5-58.7 HB2 LYS 13 - HE2 LYS 32 far 3 66 5 - 4.2-25.8 HB3 LYS 75 - HE3 LYS 73 far 3 64 5 - 4.2-12.7 HB3 ARG 82 - HE2 LYS 13 far 0 77 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 86 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 68 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 67 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 47 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 50 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 89 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 88 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 44 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 68 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 46 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 61 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 59 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 99 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 87 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 99 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 87 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 70 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 83 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 83 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 90 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 90 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 58 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 66 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.52 A): 2 out of 12 assignments used, quality = 1.00: HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.9 3.6=95, 1886/3.0=37...(55) * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.5-4.0 3.6=95, 1886/3.0=37...(45) HG2 ARG 82 - HE3 LYS 13 far 0 70 0 - 5.1-58.5 HG2 ARG 82 - HE2 LYS 13 far 0 71 0 - 5.7-59.0 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 7.3-10.9 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 7.7-11.3 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 8.4-12.0 HG LEU 64 - HE2 LYS 39 far 0 99 0 - 9.5-15.2 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 9.5-12.8 HG2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-14.2 HG3 ARG 23 - HE2 LYS 75 far 0 84 0 - 9.8-26.9 HB3 ARG 54 - HE3 LYS 13 far 0 91 0 - 9.9-32.0 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.09 A): 10 out of 53 assignments used, quality = 1.00: HG3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.0-3.7 3.6=64, 1.8/1916=28...(56) * HG3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.0-4.0 3.6=64, 1.8/1916=28...(48) HG3 LYS 75 + HE3 LYS 75 OK 70 73 100 97 2.1-3.9 3.5=69, 3.9/6090=12...(62) HG2 LYS 75 + HE2 LYS 75 OK 69 75 95 97 2.1-4.0 3.5=69, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE2 LYS 75 OK 69 75 95 97 2.1-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 13 + HE2 LYS 13 OK 67 74 95 97 2.0-4.2 3.8=53, 1043/2.9=19...(55) HG2 LYS 75 + HE3 LYS 75 OK 63 73 90 97 2.2-4.2 3.5=69, 3.9/6090=12...(62) HG2 LYS 13 + HE3 LYS 13 OK 63 72 90 97 2.2-4.2 3.8=53, 1043/2.9=19...(55) HG3 LYS 73 + HE2 LYS 73 OK 49 54 100 91 2.6-4.0 3.7=58, 2963/6.1=9...(49) HG3 LYS 73 + HE3 LYS 73 OK 38 52 80 90 2.4-4.1 3.7=58, 2963/6.1=9...(49) HG3 LYS 73 - HE2 LYS 75 far 7 71 10 - 3.0-12.9 HG3 LYS 73 - HE3 LYS 75 far 3 70 5 - 2.2-12.2 HG3 ARG 69 - HE3 LYS 73 far 3 34 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 3 32 10 - 2.6-15.7 QB ALA 78 - HE3 LYS 73 far 3 52 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 2 36 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 2 34 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 50 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 49 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 55 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 61 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 54 0 - 4.7-18.3 HG2 LYS 13 - HE2 LYS 32 far 0 51 0 - 5.1-27.9 HB3 ARG 69 - HE2 LYS 73 far 0 63 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 57 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 46 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 45 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 55 0 - 5.6-13.6 HG2 LYS 13 - HE3 LYS 32 far 0 53 0 - 5.7-26.7 QB ALA 78 - HE3 LYS 75 far 0 70 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 71 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 57 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 37 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 48 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 7.9-15.5 HG2 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.0-31.0 HG3 ARG 69 - HE2 LYS 39 far 0 63 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 36 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 47 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 76 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 82 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 80 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 77 0 - 9.1-44.1 HG2 LYS 13 - HE2 LYS 39 far 0 85 0 - 9.1-30.0 QB ALA 20 - HE3 LYS 13 far 0 54 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 55 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 96 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 68 0 - 9.9-13.1 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 38 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 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 2.6-3.0 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 2.2-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 37 37 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 37 37 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 35 35 100 100 2.5-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 34 34 100 100 2.2-3.0 3.0=100 HD3 LYS 73 - HE2 LYS 75 far 3 50 5 - 2.9-14.6 HD3 LYS 73 - HE3 LYS 75 far 2 49 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 2 49 5 - 3.5-13.7 HG3 ARG 70 - HE2 LYS 75 far 2 46 5 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 50 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 90 0 - 4.7-8.5 HG3 ARG 70 - HE3 LYS 75 far 0 45 0 - 4.8-17.6 HD2 LYS 32 - HE2 LYS 13 far 0 55 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 32 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 34 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 50 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 90 0 - 5.6-9.2 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 6.3-26.2 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 6.7-11.3 HB3 LEU 29 - HE3 LYS 32 far 0 70 0 - 6.9-11.3 HD3 LYS 32 - HE3 LYS 13 far 0 49 0 - 7.0-25.0 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 8.9-30.5 HD2 LYS 39 - HE2 LYS 13 far 0 93 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 86 0 - 9.5-60.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 9.5-12.8 HB3 LEU 51 - HE3 LYS 73 far 0 53 0 - 9.6-15.0 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HD3 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.9-16.0 HB3 LEU 29 - HE2 LYS 13 far 0 92 0 - 9.9-23.6 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 10.0-29.2 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 30 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 2.4-3.0 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 2.6-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 36 36 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 36 36 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 LYS 73 - HE2 LYS 75 far 2 48 5 - 2.9-14.6 HD3 LYS 73 - HE3 LYS 75 far 2 47 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 2 47 5 - 3.5-13.7 HD2 LYS 73 - HE2 LYS 75 far 0 48 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 89 0 - 4.7-8.5 HD2 LYS 32 - HE2 LYS 13 far 0 53 0 - 5.0-27.6 HB3 LEU 51 - HE2 LYS 39 far 0 88 0 - 5.6-9.2 HD2 LYS 32 - HE3 LYS 13 far 0 52 0 - 6.3-26.2 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 6.7-11.3 HB3 LEU 29 - HE3 LYS 32 far 0 71 0 - 6.9-11.3 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 8.9-30.5 HD2 LYS 39 - HE2 LYS 13 far 0 92 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 85 0 - 9.5-60.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 9.5-12.8 HB3 LEU 51 - HE3 LYS 73 far 0 52 0 - 9.6-15.0 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HD3 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.9-16.0 HB3 LEU 29 - HE2 LYS 13 far 0 92 0 - 9.9-23.6 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 10.0-29.2 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 - 8.5-9.3 HE ARG 54 - HA ILE 40 far 0 78 0 - 9.5-13.9 H ALA 53 - HA ILE 40 far 0 76 0 - 9.9-10.7 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 - 7.3-8.4 HG3 PRO 36 - HA ILE 40 far 0 63 0 - 8.1-9.4 HG3 PRO 44 - HA ILE 40 far 0 89 0 - 9.4-10.1 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 6 assignments used, quality = 1.00: * QG2 ILE 40 + HA ILE 40 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 VAL 41 - HA ILE 40 far 0 100 0 - 4.5-4.8 QD2 LEU 43 - HA ILE 40 far 0 92 0 - 5.3-6.0 QD1 LEU 64 - HA ILE 40 far 0 71 0 - 7.2-10.2 HG12 ILE 68 - HA ILE 40 far 0 98 0 - 7.4-9.4 QD2 LEU 62 - HA ILE 40 far 0 100 0 - 8.4-9.8 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 6 assignments used, quality = 1.00: * HG12 ILE 40 + HA ILE 40 OK 100 100 100 100 2.5-3.8 4.0=94, 605/3.0=73...(23) HB ILE 68 - HA ILE 40 far 0 99 0 - 5.2-6.9 HB VAL 41 - HA ILE 40 far 0 71 0 - 6.0-6.1 HG13 ILE 68 - HA ILE 40 far 0 85 0 - 7.8-9.5 HB2 ARG 66 - HA ILE 40 far 0 60 0 - 9.1-11.0 HB3 PRO 14 - HA ILE 40 far 0 87 0 - 9.3-29.5 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (1.23, 3.63, 64.52 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HA ILE 40 OK 100 100 100 100 2.5-3.3 4.0=84, 1.8/1926=71...(22) QG1 VAL 65 + HA ILE 40 OK 92 100 95 97 3.6-6.0 5034/3.2=47...(16) HG2 ARG 69 - HA ILE 40 far 10 98 10 - 4.5-9.0 QG2 VAL 65 - HA ILE 40 far 4 85 5 - 4.7-6.7 HG13 ILE 33 - HA ILE 40 far 0 96 0 - 8.7-9.5 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 2.2-3.9 4.1=100 HG3 PRO 34 - HA ILE 40 far 0 95 0 - 9.3-10.2 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 2.6-2.8 603=100, 605/2.9=70...(16) 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 98 100 100 98 3.3-4.8 4769/2.1=45, ~4302=39...(16) HA VAL 65 - HB ILE 40 far 5 100 5 - 4.9-5.9 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 7 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 92 100 100 93 2.6-2.9 4.0/139=37, 4330/603=30...(15) HG12 ILE 68 - HB ILE 40 far 0 98 0 - 4.8-6.6 QD1 LEU 64 - HB ILE 40 far 0 71 0 - 6.3-8.3 QD2 LEU 43 - HB ILE 40 far 0 92 0 - 7.6-7.8 QD2 LEU 62 - HB ILE 40 far 0 100 0 - 9.1-10.7 QG2 VAL 76 - HB ILE 40 far 0 98 0 - 9.9-17.4 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 6 assignments used, quality = 1.00: * HG12 ILE 40 + HB ILE 40 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 68 + HB ILE 40 OK 98 99 100 99 3.3-4.4 2.1/4753=52, 5246/3.2=43...(23) HB VAL 41 - HB ILE 40 poor 14 71 20 - 4.4-5.1 HG13 ILE 68 - HB ILE 40 far 0 85 0 - 5.6-6.9 HB2 ARG 66 - HB ILE 40 far 0 60 0 - 8.8-10.3 HB2 GLU 19 - HB ILE 40 far 0 100 0 - 9.0-19.8 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 2.4-3.0 2.9=100 QG1 VAL 65 + HB ILE 40 OK 90 100 90 100 3.8-5.8 5034/2.1=65, 5035/3.2=40...(20) HG2 ARG 69 - HB ILE 40 far 15 98 15 - 4.2-8.3 QG2 VAL 65 - HB ILE 40 far 4 85 5 - 4.8-6.7 HG13 ILE 33 - HB ILE 40 far 0 96 0 - 7.5-9.0 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 2.4-3.2 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...(16) H ASP 47 - QG2 ILE 40 far 0 71 0 - 8.0-9.0 H ALA 53 - QG2 ILE 40 far 0 76 0 - 8.1-10.0 HE ARG 54 - QG2 ILE 40 far 0 78 0 - 9.6-13.7 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 4 assignments used, quality = 1.00: * HA ILE 40 + QG2 ILE 40 OK 100 100 100 100 2.3-2.4 3.2=93, 3.0/1936=36...(25) HA VAL 65 + QG2 ILE 40 OK 96 100 100 96 2.9-3.9 5033/1942=35...(26) HA ARG 69 + QG2 ILE 40 OK 95 100 100 95 2.2-4.0 3.0/4302=41, 2.9/4326=37...(17) HD3 PRO 14 - QG2 ILE 40 far 0 90 0 - 9.0-26.8 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 - 7.3-8.1 HG3 PRO 36 - QG2 ILE 40 far 0 63 0 - 8.4-9.3 HG3 PRO 44 - QG2 ILE 40 far 0 89 0 - 9.3-10.1 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 6 assignments used, quality = 1.00: * HG12 ILE 40 + QG2 ILE 40 OK 100 100 100 100 2.4-3.2 3.2=100 HB ILE 68 + QG2 ILE 40 OK 98 99 100 99 2.0-3.3 2.1/4298=42, 290/4326=38...(28) HG13 ILE 68 - QG2 ILE 40 far 0 85 0 - 4.4-5.6 HB VAL 41 - QG2 ILE 40 far 0 71 0 - 4.7-5.7 HB2 ARG 66 - QG2 ILE 40 far 0 60 0 - 5.7-7.0 HB2 GLU 19 - QG2 ILE 40 far 0 100 0 - 9.3-18.2 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.23, 0.93, 18.83 ppm; 3.04 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + QG2 ILE 40 OK 99 100 100 99 2.3-3.2 3.2=87, 2.1/1942=64...(18) QG1 VAL 65 + QG2 ILE 40 OK 98 100 100 98 1.8-3.3 5034=52, 4718/4323=30...(25) HG2 ARG 69 + QG2 ILE 40 OK 31 98 35 91 1.9-5.7 3.0/4302=39, 3.0/4303=33...(16) QG2 VAL 65 - QG2 ILE 40 poor 17 85 20 - 2.9-4.4 HG13 ILE 33 - QG2 ILE 40 far 0 96 0 - 6.2-7.7 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 1.9-2.1 3.0=94, 607/1936=26...(25) HG3 PRO 34 - QG2 ILE 40 far 0 95 0 - 8.0-9.5 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 2 assignments used, quality = 1.00: * H ILE 40 + HG12 ILE 40 OK 100 100 100 100 1.9-3.4 605=100, 606/1.8=84...(16) HE ARG 54 - HG12 ILE 40 far 0 78 0 - 9.8-16.1 Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (3.63, 1.90, 28.19 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.5-3.8 4.0=100 HA VAL 65 + HG12 ILE 40 OK 40 100 40 99 3.7-6.1 5033/2.1=80, 3.2/1948=32...(17) HA ARG 69 - HG12 ILE 40 far 0 100 0 - 5.7-7.3 HD3 PRO 14 - HG12 ILE 40 far 0 90 0 - 8.9-29.2 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 2.4-3.0 2.9=100 HB2 PRO 36 - HG12 ILE 40 far 0 100 0 - 5.0-7.0 HG3 PRO 36 - HG12 ILE 40 far 0 63 0 - 6.5-8.9 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (0.93, 1.90, 28.19 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.4-3.2 3.2=100 QG2 VAL 41 + HG12 ILE 40 OK 43 100 45 96 4.2-5.3 4349/2.9=41, 4330/605=41...(14) HG12 ILE 68 - HG12 ILE 40 far 5 98 5 - 3.9-8.2 QD1 LEU 64 - HG12 ILE 40 far 4 71 5 - 4.3-8.5 QD2 LEU 43 - HG12 ILE 40 far 0 92 0 - 6.8-8.8 QD2 LEU 62 - HG12 ILE 40 far 0 100 0 - 8.3-10.6 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): 2 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 OK 73 100 75 97 3.0-5.2 5035/2.1=37, 5034/3.2=36...(22) QG2 VAL 65 - HG12 ILE 40 far 13 85 15 - 3.5-6.2 HG2 ARG 69 - HG12 ILE 40 far 0 98 0 - 6.0-10.2 HG13 ILE 33 - HG12 ILE 40 far 0 96 0 - 6.2-7.0 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 - 7.5-9.8 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 3 assignments used, quality = 1.00: * H ILE 40 + HG13 ILE 40 OK 100 100 100 100 1.8-3.5 606=100, 605/1.8=98...(16) HE ARG 54 - HG13 ILE 40 far 0 78 0 - 9.3-15.2 H ALA 53 - HG13 ILE 40 far 0 76 0 - 9.5-12.3 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 4 assignments used, quality = 1.00: * HA ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.5-3.3 4.0=100 HA VAL 65 + HG13 ILE 40 OK 30 100 30 99 4.0-6.1 5033/2.1=78, ~4304=29...(20) HA ARG 69 - HG13 ILE 40 far 0 100 0 - 5.7-7.1 HD3 PRO 14 - HG13 ILE 40 far 0 90 0 - 9.0-29.0 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 2.4-3.0 2.9=100 HB2 PRO 36 - HG13 ILE 40 lone 0 100 45 1 5.0-7.7 HG3 PRO 36 - HG13 ILE 40 far 0 63 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (0.93, 1.23, 28.19 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 41 + HG13 ILE 40 OK 57 100 60 96 4.3-5.3 4349/2.9=48, 4330/606=44...(11) QD1 LEU 64 - HG13 ILE 40 far 0 71 0 - 5.4-8.4 HG12 ILE 68 - HG13 ILE 40 far 0 98 0 - 5.5-7.7 QD2 LEU 43 - HG13 ILE 40 far 0 92 0 - 7.0-7.6 QD2 LEU 62 - HG13 ILE 40 far 0 100 0 - 7.5-10.5 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 6 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 5 99 5 - 4.2-5.8 HB VAL 41 - HG13 ILE 40 far 0 71 0 - 6.1-7.7 HG13 ILE 68 - HG13 ILE 40 far 0 85 0 - 6.2-8.1 HB2 GLU 19 - HG13 ILE 40 far 0 100 0 - 8.6-20.2 HB2 ARG 66 - HG13 ILE 40 far 0 60 0 - 8.8-11.7 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 - 7.6-9.0 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 4 assignments used, quality = 1.00: * H ILE 40 + QD1 ILE 40 OK 100 100 100 100 3.4-3.7 607=100, 605/2.1=94...(15) H ALA 53 - QD1 ILE 40 far 0 76 0 - 8.4-9.9 H ASP 47 - QD1 ILE 40 far 0 71 0 - 9.4-11.2 HE ARG 54 - QD1 ILE 40 far 0 78 0 - 9.4-13.4 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 4 assignments used, quality = 1.00: * HA ILE 40 + QD1 ILE 40 OK 100 100 100 100 2.2-3.9 4.1=76, 3.2/1942=68...(22) HA VAL 65 + QD1 ILE 40 OK 100 100 100 100 2.0-3.1 5033=81, 4761/5247=47...(26) HA ARG 69 - QD1 ILE 40 far 5 100 5 - 4.4-5.6 HD3 PRO 14 - QD1 ILE 40 far 0 90 0 - 9.3-24.5 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 2.4-3.2 3.2=100 HB2 PRO 36 - QD1 ILE 40 far 0 100 0 - 5.6-6.7 HG3 PRO 36 - QD1 ILE 40 far 0 63 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (0.93, 1.03, 14.28 ppm; 3.26 A): 3 out of 7 assignments used, quality = 1.00: * QG2 ILE 40 + QD1 ILE 40 OK 100 100 100 100 1.9-2.1 3.0=100 HG12 ILE 68 + QD1 ILE 40 OK 81 98 85 98 3.5-4.9 2.1/5247=57, 3.2/5249=45...(22) QG2 VAL 41 + QD1 ILE 40 OK 53 100 60 88 4.0-4.8 4349/3.2=26, 4330/607=25...(15) QD1 LEU 64 - QD1 ILE 40 far 7 71 10 - 3.7-5.5 QD2 LEU 62 - QD1 ILE 40 far 0 100 0 - 6.4-7.8 QD2 LEU 43 - QD1 ILE 40 far 0 92 0 - 6.7-7.6 QG2 VAL 76 - QD1 ILE 40 far 0 98 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (1.90, 1.03, 14.28 ppm; 3.36 A): 3 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 1.9-3.0 2.1/5249=63, 3.2/5247=46...(25) HG13 ILE 68 + QD1 ILE 40 OK 67 85 80 98 3.7-5.0 2.1/5247=60, 3.2/5249=48...(23) HB VAL 41 - QD1 ILE 40 far 0 71 0 - 6.2-6.7 HB2 ARG 66 - QD1 ILE 40 far 0 60 0 - 6.8-8.1 HB2 GLU 19 - QD1 ILE 40 far 0 100 0 - 7.2-16.5 HB2 ARG 26 - QD1 ILE 40 far 0 71 0 - 9.7-11.4 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 1.8-3.6 5035=40, 5034/1942=31...(26) QG2 VAL 65 + QD1 ILE 40 OK 78 85 100 92 1.8-3.7 3.2/5033=30, 2.1/5035=30...(22) HG13 ILE 33 - QD1 ILE 40 poor 14 96 30 50 3.7-5.3 3.2/4300=33, 3.0/4306=10...(6) HG2 ARG 69 - QD1 ILE 40 far 0 98 0 - 4.3-8.0 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): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + HA VAL 41 OK 100 100 100 100 2.8-2.9 3.0=100 HD21 ASN 42 + HA VAL 41 OK 99 100 100 99 4.5-4.7 5089/3.6=48, 4364/3.2=47...(10) HD21 ASN 74 - HA VAL 41 far 0 92 0 - 8.6-12.4 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 6 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 - 6.1-6.6 HB3 ARG 70 - HA VAL 41 far 0 71 0 - 8.3-9.8 HB2 ARG 70 - HA VAL 41 far 0 71 0 - 8.4-10.0 HG13 ILE 68 - HA VAL 41 far 0 99 0 - 8.6-9.6 HB3 ARG 66 - HA VAL 41 far 0 96 0 - 10.0-11.5 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 2.1-2.3 3.2=100 QG2 ILE 68 - HA VAL 41 far 5 95 5 - 4.2-5.7 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): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 41 + HA VAL 41 OK 100 100 100 100 2.4-2.6 3.2=100 QG2 ILE 40 + HA VAL 41 OK 96 100 100 96 3.5-4.0 5210=46, 3816/3.0=34...(22) QD2 LEU 43 - HA VAL 41 far 0 97 0 - 6.8-7.4 QG2 VAL 76 - HA VAL 41 far 0 93 0 - 7.0-14.2 QG1 VAL 76 - HA VAL 41 far 0 93 0 - 7.8-13.2 HG12 ILE 68 - HA VAL 41 far 0 93 0 - 8.0-9.6 QD1 LEU 64 - HA VAL 41 far 0 83 0 - 9.5-11.2 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 2.6-2.8 610=100, 916/146=43...(10) HD21 ASN 42 + HB VAL 41 OK 98 100 100 98 2.3-2.6 4364/2.1=39, 4906=37...(13) HD21 ASN 74 - HB VAL 41 far 0 92 0 - 7.7-13.1 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 2 assignments used, quality = 1.00: * HA VAL 41 + HB VAL 41 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 PRO 36 - HB VAL 41 far 0 96 0 - 10.0-11.0 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 - 4.2-5.7 QD1 ILE 68 - HB VAL 41 far 0 92 0 - 7.1-8.3 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 7 assignments used, quality = 1.00: * QG2 VAL 41 + HB VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 40 - HB VAL 41 far 0 100 0 - 4.7-5.7 QG2 VAL 76 - HB VAL 41 far 0 93 0 - 5.9-15.2 QG1 VAL 76 - HB VAL 41 far 0 93 0 - 7.1-13.8 QD2 LEU 43 - HB VAL 41 far 0 97 0 - 7.2-8.1 HG12 ILE 68 - HB VAL 41 far 0 93 0 - 7.5-9.7 QD1 LEU 64 - HB VAL 41 far 0 83 0 - 9.6-11.5 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: HD21 ASN 42 + QG1 VAL 41 OK 100 100 100 100 3.5-3.7 4364=58, 1.7/4367=55...(14) * H VAL 41 + QG1 VAL 41 OK 100 100 100 100 3.8-3.8 610/2.1=85, 4.0=85...(11) HD21 ASN 74 - QG1 VAL 41 far 0 92 0 - 5.1-8.9 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 2.1-2.3 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 7 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 - 6.3-8.4 HB2 ARG 70 - QG1 VAL 41 far 0 71 0 - 6.5-8.6 HG12 ILE 40 - QG1 VAL 41 far 0 71 0 - 6.7-7.4 HB2 GLU 19 - QG1 VAL 41 far 0 83 0 - 6.8-18.8 HG13 ILE 68 - QG1 VAL 41 far 0 99 0 - 7.7-8.9 HB3 ARG 66 - QG1 VAL 41 far 0 96 0 - 9.9-11.0 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 0 93 0 - 4.5-11.0 QG2 ILE 40 - QG1 VAL 41 far 0 100 0 - 4.5-5.1 QG1 VAL 76 - QG1 VAL 41 far 0 93 0 - 5.0-9.9 QD2 LEU 43 - QG1 VAL 41 far 0 97 0 - 6.9-7.5 HG12 ILE 68 - QG1 VAL 41 far 0 93 0 - 7.1-8.6 QD1 LEU 64 - QG1 VAL 41 far 0 83 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 1979 from cnoeabs.peaks (7.63, 0.94, 22.13 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + QG2 VAL 41 OK 99 100 100 99 1.9-2.5 610/2.1=69, 4.0=54...(17) HD21 ASN 42 + QG2 VAL 41 OK 98 100 100 98 3.9-4.1 4364/2.1=37, 4363=35...(14) HD21 ASN 74 - QG2 VAL 41 far 0 92 0 - 5.8-10.8 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 2.4-2.6 3.2=100 HD3 PRO 36 - QG2 VAL 41 far 0 96 0 - 8.2-9.7 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 - 4.2-5.3 HG13 ILE 68 - QG2 VAL 41 far 0 99 0 - 5.4-6.7 HB2 ARG 70 - QG2 VAL 41 far 0 71 0 - 5.8-8.1 HB3 ARG 70 - QG2 VAL 41 far 0 71 0 - 6.1-7.8 HB2 GLU 19 - QG2 VAL 41 far 0 83 0 - 6.5-16.8 HB3 ARG 66 - QG2 VAL 41 far 0 96 0 - 8.7-9.9 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 75 95 100 79 2.0-3.2 2760=25, 4753/4349=13...(21) QD1 ILE 68 - QG2 VAL 41 far 0 92 0 - 4.6-5.5 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 2 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 2.6-2.6 3.0=100 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 2 assignments used, quality = 1.00: * HB3 ASN 42 + HA ASN 42 OK 100 100 100 100 2.6-2.6 3.0=100 HB2 ASN 42 + HA ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (7.62, 4.68, 53.88 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 42 + HA ASN 42 OK 100 100 100 100 2.5-2.9 4.4=86, 5089/3.0=62...(7) H VAL 41 + HA ASN 42 OK 87 100 90 96 4.8-5.2 916/3.0=74, 5631/3824=57...(5) 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 + HB2 ASN 42 OK 98 100 100 98 2.3-2.3 4.1=69, 5089/3.5=41...(11) H ASN 42 + HB3 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 615/1.8=42...(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 2.6-2.6 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): 3 out of 4 assignments used, quality = 1.00: * HD21 ASN 42 + HB2 ASN 42 OK 100 100 100 100 2.6-2.8 3.5=100 HD21 ASN 42 + HB3 ASN 42 OK 100 100 100 100 3.5-3.5 3.5=100 H VAL 41 + HB2 ASN 42 OK 91 100 100 91 4.1-4.6 916/4.1=44, 5631/4.4=34...(10) H VAL 41 - HB3 ASN 42 far 0 100 0 - 5.6-6.1 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 4 assignments used, quality = 1.00: * HD22 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.6-3.7 3.5=100 HD22 ASN 42 + HB3 ASN 42 OK 100 100 100 100 4.1-4.1 3.5=100 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 8.5-9.8 QE PHE 35 - HB3 ASN 42 far 0 99 0 - 10.0-11.4 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 + HB2 ASN 42 OK 98 100 100 98 2.3-2.3 4.1=69, 5089/3.5=41...(11) * H ASN 42 + HB3 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 615/1.8=42...(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 2.6-2.6 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): 3 out of 4 assignments used, quality = 1.00: * HD21 ASN 42 + HB3 ASN 42 OK 100 100 100 100 3.5-3.5 3.5=100 HD21 ASN 42 + HB2 ASN 42 OK 100 100 100 100 2.6-2.8 3.5=100 H VAL 41 + HB2 ASN 42 OK 91 100 100 91 4.1-4.6 916/4.1=44, 5631/4.4=34...(10) H VAL 41 - HB3 ASN 42 far 0 100 0 - 5.6-6.1 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 4 assignments used, quality = 1.00: * HD22 ASN 42 + HB3 ASN 42 OK 100 100 100 100 4.1-4.1 3.5=100 HD22 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.6-3.7 3.5=100 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 8.5-9.8 QE PHE 35 - HB3 ASN 42 far 0 99 0 - 10.0-11.4 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 2.7-2.9 3.0=100 HD21 ASN 80 - HA LYS 13 far 0 60 0 - 6.9-61.3 H LEU 51 - HA LEU 43 far 0 97 0 - 7.6-9.1 H LEU 43 - HA LYS 13 far 0 92 0 - 8.7-34.5 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 2 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 43 - HA LYS 13 far 0 92 0 - 8.2-34.2 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 7 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 80 82 100 98 2.2-4.2 3.9=81, 470/3.0=41...(16) HG3 LYS 13 + HA LYS 13 OK 71 73 100 98 2.2-4.2 3.9=81, 471/3.0=35...(16) HB3 LEU 43 - HA LYS 13 far 0 92 0 - 7.9-35.6 QB ALA 30 - HA LYS 13 far 0 89 0 - 8.9-22.6 HG2 LYS 13 - HA LEU 43 far 0 93 0 - 9.3-36.6 HG12 ILE 33 - HA LYS 13 far 0 90 0 - 9.6-27.4 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (1.99, 4.53, 53.96 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-3.3 2.1/2038=89, 4.3=84...(10) HG2 PRO 14 + HA LYS 13 OK 91 91 100 99 4.1-4.6 2.3/4801=85, 2.3/4802=83...(7) HG3 PRO 14 + HA LYS 13 OK 91 91 100 99 4.3-4.5 2.3/4801=85, 2.3/4802=83...(7) HG3 PRO 14 - HA LEU 43 far 5 100 5 - 4.3-35.2 HB3 MET 11 - HA LYS 13 far 4 75 5 - 4.3-8.1 HG2 PRO 14 - HA LEU 43 far 0 100 0 - 5.8-33.8 HG LEU 43 - HA LYS 13 far 0 92 0 - 5.9-33.7 HB3 GLN 79 - HA LYS 13 far 0 90 0 - 7.9-60.0 HB2 GLN 79 - HA LYS 13 far 0 67 0 - 8.8-59.6 QE MET 31 - HA LYS 13 far 0 92 0 - 9.6-25.2 HB3 GLN 79 - HA LEU 43 far 0 99 0 - 9.9-30.3 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 3.8-3.9 4.1=100 QD1 LEU 43 - HA LYS 13 far 5 92 5 - 5.0-27.5 QG2 ILE 68 - HA LEU 43 far 0 81 0 - 8.7-10.0 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 7 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 1.9-2.2 2038=100, 625/3.0=43...(15) QD2 LEU 43 - HA LYS 13 far 5 92 5 - 4.1-29.6 QG2 ILE 40 - HA LEU 43 far 0 92 0 - 6.7-7.5 QG2 VAL 41 - HA LEU 43 far 0 97 0 - 7.3-7.6 QG2 VAL 76 - HA LYS 13 far 0 62 0 - 9.3-41.8 QG2 VAL 76 - HA LEU 43 far 0 73 0 - 9.6-18.8 QG1 VAL 76 - HA LEU 43 far 0 73 0 - 9.9-17.8 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 2.2-2.5 621=100, 622/1.8=82...(11) H LEU 51 - HB2 LEU 43 far 0 97 0 - 6.1-7.3 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 2 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 13 - HB2 LEU 43 far 0 99 0 - 8.2-34.2 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 2 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 13 - HB2 LEU 43 far 0 93 0 - 9.9-35.6 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 3 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 PRO 14 - HB2 LEU 43 far 0 100 0 - 5.5-33.5 HG2 PRO 14 - HB2 LEU 43 far 0 100 0 - 6.3-32.2 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 2.1-2.4 3.1=100 QG2 ILE 68 - HB2 LEU 43 far 0 81 0 - 6.8-8.0 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (0.94, 1.72, 42.41 ppm; 3.94 A): 2 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 OK 62 92 85 79 4.3-5.2 3.2/5123=34...(8) QG2 VAL 41 - HB2 LEU 43 far 0 97 0 - 5.8-6.4 QG2 VAL 76 - HB2 LEU 43 far 0 73 0 - 9.7-17.9 QD2 LEU 62 - HB2 LEU 43 far 0 92 0 - 9.8-11.3 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 3.5-3.7 3.9=100 H LEU 51 - HB3 LEU 43 far 0 97 0 - 5.3-6.6 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 2 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-2.6 3.0=100 HA LYS 13 - HB3 LEU 43 far 0 99 0 - 7.9-35.6 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 4 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 PRO 14 - HB3 LEU 43 far 0 100 0 - 5.7-34.7 HG2 PRO 14 - HB3 LEU 43 far 0 100 0 - 6.8-33.3 HB3 MET 11 - HB3 LEU 43 far 0 87 0 - 9.5-41.0 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 2.2-2.5 3.1=100 QG2 ILE 68 - HB3 LEU 43 far 0 81 0 - 8.2-9.4 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 2.2-2.5 3.1=100 QG2 ILE 40 - HB3 LEU 43 far 0 92 0 - 5.3-6.5 QG2 VAL 41 - HB3 LEU 43 far 0 97 0 - 7.2-7.8 QG2 VAL 76 - HB3 LEU 43 far 0 73 0 - 9.9-18.7 QD2 LEU 62 - HB3 LEU 43 far 0 92 0 - 10.0-11.7 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 6 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.2-3.2 623=100, 625/2.1=81...(11) H LEU 43 - HG3 PRO 14 far 3 63 5 - 5.0-33.6 H LEU 43 - HG2 PRO 14 far 0 63 0 - 5.9-32.3 H LEU 51 - HG LEU 43 far 0 97 0 - 6.9-8.6 HD21 ASN 80 - HG2 PRO 14 far 0 37 0 - 7.0-59.9 HD21 ASN 80 - HG3 PRO 14 far 0 37 0 - 8.2-60.9 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 6 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.7-3.3 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...(7) HA LYS 13 + HG3 PRO 14 OK 60 60 100 100 4.3-4.5 4817/2.3=97, 4816/2.3=96...(7) HA LEU 43 - HG3 PRO 14 far 3 63 5 - 4.3-35.2 HA LEU 43 - HG2 PRO 14 far 0 63 0 - 5.8-33.8 HA LYS 13 - HG LEU 43 far 0 99 0 - 5.9-33.7 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 8 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LEU 43 - HG3 PRO 14 far 0 63 0 - 5.5-33.5 HB2 LEU 43 - HG2 PRO 14 far 0 63 0 - 6.3-32.2 HB3 ARG 17 - HG2 PRO 14 far 0 47 0 - 6.6-13.7 HB3 ARG 17 - HG3 PRO 14 far 0 47 0 - 6.9-15.1 HB2 LEU 29 - HG2 PRO 14 far 0 60 0 - 8.5-20.7 HB2 LEU 29 - HG3 PRO 14 far 0 60 0 - 9.3-21.8 HG3 ARG 26 - HG2 PRO 14 far 0 39 0 - 9.8-25.6 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 13 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 LYS 13 - HG2 PRO 14 poor 14 47 30 - 3.2-7.6 HG3 LYS 13 - HG3 PRO 14 poor 14 47 30 - 4.3-7.8 HG2 LYS 13 - HG2 PRO 14 far 5 54 10 - 4.2-7.2 HG2 LYS 13 - HG3 PRO 14 far 0 54 0 - 5.5-7.4 HB3 LEU 43 - HG3 PRO 14 far 0 63 0 - 5.7-34.7 HB3 LEU 43 - HG2 PRO 14 far 0 63 0 - 6.8-33.3 HG12 ILE 33 - HG3 PRO 14 far 0 60 0 - 7.4-26.5 HG2 LYS 13 - HG LEU 43 far 0 93 0 - 7.8-33.9 HG12 ILE 33 - HG2 PRO 14 far 0 60 0 - 8.1-25.2 QB ALA 30 - HG3 PRO 14 far 0 60 0 - 8.7-21.9 QB ALA 30 - HG2 PRO 14 far 0 60 0 - 9.0-21.2 HG3 LYS 13 - HG LEU 43 far 0 85 0 - 9.2-34.1 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 10 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 43 - HG3 PRO 14 far 0 63 0 - 4.2-26.5 QD1 LEU 43 - HG2 PRO 14 far 0 63 0 - 4.4-25.4 QG2 ILE 68 - HG LEU 43 far 0 81 0 - 7.6-8.9 QD2 LEU 29 - HG2 PRO 14 far 0 52 0 - 8.7-17.6 QD2 LEU 64 - HG3 PRO 14 far 0 52 0 - 9.0-24.0 QG2 ILE 68 - HG2 PRO 14 far 0 44 0 - 9.3-25.0 QD2 LEU 29 - HG3 PRO 14 far 0 52 0 - 9.4-18.4 QD2 LEU 64 - HG2 PRO 14 far 0 52 0 - 9.5-22.9 QG2 ILE 68 - HG3 PRO 14 far 0 44 0 - 9.6-25.3 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 13 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 43 - HG3 PRO 14 far 3 63 5 - 3.0-28.3 QD2 LEU 43 - HG2 PRO 14 far 3 63 5 - 3.9-27.1 QG2 VAL 76 - HG3 PRO 14 far 0 39 0 - 5.7-41.0 QG2 ILE 40 - HG LEU 43 far 0 92 0 - 5.8-6.4 QG2 VAL 76 - HG2 PRO 14 far 0 39 0 - 6.4-40.1 QG2 VAL 41 - HG LEU 43 far 0 97 0 - 6.6-7.3 QG2 ILE 40 - HG3 PRO 14 far 0 52 0 - 8.3-26.0 QG1 VAL 76 - HG3 PRO 14 far 0 39 0 - 8.3-39.1 QG2 ILE 40 - HG2 PRO 14 far 0 52 0 - 8.3-25.1 QG2 VAL 41 - HG3 PRO 14 far 0 58 0 - 8.3-27.0 QG2 VAL 41 - HG2 PRO 14 far 0 58 0 - 8.4-26.6 QG1 VAL 76 - HG2 PRO 14 far 0 39 0 - 9.0-38.2 Violated in 0 structures by 0.00 A. Peak 2030 from cnoeabs.peaks (7.52, 0.83, 26.57 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-3.9 624=100, 623/2.1=81...(13) H LEU 51 + QD1 LEU 43 OK 33 97 40 87 3.8-5.3 4525/4468=45...(5) H ARG 54 - QD1 LEU 43 far 0 97 0 - 7.0-8.0 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 3.8-3.9 4.1=100 HA LYS 13 - QD1 LEU 43 far 5 99 5 - 5.0-27.5 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 2.1-2.4 3.1=100 HG3 ARG 66 - QD1 LEU 43 far 0 60 0 - 9.3-12.1 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 2.2-2.5 3.1=100 HG2 LYS 13 - QD1 LEU 43 far 0 93 0 - 6.1-27.5 HG3 LYS 13 - QD1 LEU 43 far 0 85 0 - 7.5-27.8 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 7 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 14 - QD1 LEU 43 far 0 100 0 - 4.2-26.5 HG2 PRO 14 - QD1 LEU 43 far 0 100 0 - 4.4-25.4 HB3 MET 11 - QD1 LEU 43 far 0 87 0 - 7.4-32.1 HG2 ARG 66 - QD1 LEU 43 far 0 78 0 - 8.8-12.4 HB3 GLN 79 - QD1 LEU 43 far 0 99 0 - 9.1-27.2 HB2 GLN 79 - QD1 LEU 43 far 0 78 0 - 9.7-26.6 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 6 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 40 - QD1 LEU 43 far 0 92 0 - 4.2-5.3 QG2 VAL 41 - QD1 LEU 43 far 0 97 0 - 6.1-6.7 QD2 LEU 62 - QD1 LEU 43 far 0 92 0 - 8.0-9.4 QD1 LEU 64 - QD1 LEU 43 far 0 97 0 - 8.8-10.9 HG12 ILE 68 - QD1 LEU 43 far 0 73 0 - 9.6-10.9 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 2.9-4.1 625=100, 623/2.1=86...(12) H LEU 51 - QD2 LEU 43 far 0 97 0 - 5.3-6.6 H ARG 54 - QD2 LEU 43 far 0 97 0 - 8.7-9.7 Violated in 1 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 1.9-2.2 2008=93, 3.0/625=41...(14) HA LYS 13 - QD2 LEU 43 far 0 99 0 - 4.1-29.6 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 2.2-2.5 3.1=100 HG2 LYS 13 - QD2 LEU 43 far 0 93 0 - 5.4-28.5 HG3 LYS 13 - QD2 LEU 43 far 0 85 0 - 6.4-28.8 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 5 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 14 - QD2 LEU 43 far 5 100 5 - 3.0-28.3 HG2 PRO 14 - QD2 LEU 43 far 5 100 5 - 3.9-27.1 HB3 MET 11 - QD2 LEU 43 far 0 87 0 - 6.5-34.2 HB3 GLN 79 - QD2 LEU 43 far 0 99 0 - 9.4-27.1 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 2 assignments used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 68 - QD2 LEU 43 far 0 81 0 - 8.0-9.0 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 3.0-3.9 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 3.9-4.0 3.0=100 HB VAL 45 - HD2 PRO 44 far 0 71 0 - 7.5-7.6 Violated in 17 structures by 0.09 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 2.3-3.0 2.3=100 HB2 GLU 50 - HD2 PRO 44 far 0 99 0 - 6.9-8.8 HD2 ARG 69 - HD2 PRO 44 far 0 89 0 - 7.2-12.2 HD3 ARG 69 - HD2 PRO 44 far 0 89 0 - 7.5-12.3 HB VAL 45 - HD2 PRO 44 far 0 87 0 - 7.5-7.6 HB3 GLU 50 - HD2 PRO 44 far 0 99 0 - 8.4-10.4 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 2 assignments used, quality = 1.00: * HG3 PRO 44 + HD2 PRO 44 OK 100 100 100 100 2.3-2.7 2.3=100 HB ILE 40 - HD2 PRO 44 far 0 89 0 - 9.5-10.4 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 - 6.3-7.0 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 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2053 from cnoeabs.peaks (2.09, 3.67, 50.94 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HD3 PRO 44 OK 100 100 100 100 3.9-4.0 3.0=100 HB VAL 45 - HD3 PRO 44 far 0 71 0 - 7.5-7.7 Violated in 3 structures by 0.01 A. Peak 2054 from cnoeabs.peaks (2.05, 3.67, 50.94 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HG2 PRO 44 + HD3 PRO 44 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 GLU 50 - HD3 PRO 44 far 0 99 0 - 6.9-9.6 HD2 ARG 69 - HD3 PRO 44 far 0 89 0 - 7.4-13.0 HB VAL 45 - HD3 PRO 44 far 0 87 0 - 7.5-7.7 HD3 ARG 69 - HD3 PRO 44 far 0 89 0 - 8.2-12.9 HB3 GLU 50 - HD3 PRO 44 far 0 99 0 - 8.4-11.2 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 2.3-2.7 2.3=100 HB ILE 40 - HD3 PRO 44 far 0 89 0 - 9.6-10.7 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 - 5.2-7.4 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 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (2.05, 4.57, 62.40 ppm; 4.18 A): 2 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 OK 86 87 100 99 4.4-4.5 3.9/155=61, 2.1/5650=58...(8) HD2 ARG 69 - HA PRO 44 far 0 89 0 - 5.5-10.7 HD3 ARG 69 - HA PRO 44 far 0 89 0 - 6.5-10.3 HB VAL 76 - HA PRO 44 far 0 100 0 - 8.2-21.7 HB2 GLU 50 - HA PRO 44 far 0 99 0 - 9.2-10.1 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 - 9.3-10.5 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 2 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 - 9.8-25.5 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 - 5.3-5.5 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 9 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 - 4.2-16.8 HB VAL 45 - HB2 PRO 44 far 0 87 0 - 5.3-5.5 HB3 GLU 25 - HB3 PRO 36 far 0 54 0 - 5.4-10.7 HB2 GLU 25 - HB3 PRO 36 far 0 55 0 - 6.7-11.8 HD2 ARG 69 - HB2 PRO 44 far 0 89 0 - 7.7-12.9 HD3 ARG 69 - HB2 PRO 44 far 0 89 0 - 8.7-12.5 HB2 GLU 50 - HB2 PRO 44 far 0 99 0 - 9.0-9.8 HB VAL 76 - HB2 PRO 44 far 0 100 0 - 10.0-23.9 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 - 8.3-9.0 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 3.0-3.9 3.0=100 HB2 SER 22 - HB3 PRO 36 far 0 30 0 - 7.7-15.2 HA PHE 48 - HB2 PRO 44 far 0 98 0 - 7.8-8.3 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 3.0-3.9 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 2 assignments used, quality = 1.00: * HA PRO 44 + HB3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HA LYS 13 - HB3 MET 31 far 0 24 0 - 9.9-28.6 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 - 4.2-4.6 HD2 ARG 69 - HB3 PRO 44 far 0 89 0 - 7.5-12.3 HB2 GLU 50 - HB3 PRO 44 far 0 99 0 - 7.7-8.7 HD3 ARG 69 - HB3 PRO 44 far 0 89 0 - 8.3-12.1 HB3 GLU 50 - HB3 PRO 44 far 0 99 0 - 9.3-10.4 HB3 GLU 25 - HB3 MET 31 far 0 45 0 - 9.6-12.8 HG2 PRO 56 - HB3 MET 31 far 0 43 0 - 10.0-12.5 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 19 32 60 - 2.2-5.8 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 3.9-4.0 3.0=100 HA PHE 48 - HB3 PRO 44 far 0 98 0 - 7.0-7.4 HA ALA 63 - HB3 MET 31 far 0 28 0 - 9.1-11.3 HA GLU 59 - HB3 MET 31 far 0 45 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (3.67, 2.09, 32.30 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HB3 PRO 44 OK 100 100 100 100 3.9-4.0 3.0=100 HA VAL 45 + HB3 PRO 44 OK 75 76 100 99 4.5-4.7 3.0/157=43, ~155=40...(15) 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 2 assignments used, quality = 1.00: * HA PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.9-3.9 3.8=100 HA LYS 13 - HG2 PRO 44 far 0 65 0 - 9.6-39.4 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 - 6.0-6.4 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 2.3-3.0 2.3=100 HA PHE 48 - HG2 PRO 44 far 0 98 0 - 5.7-6.2 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 2.3-3.0 2.3=100 HA VAL 45 - HG2 PRO 44 far 0 76 0 - 5.4-5.5 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 - 9.3-40.2 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 - 6.8-7.2 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 6 assignments used, quality = 1.00: * HG2 PRO 44 + HG3 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 45 - HG3 PRO 44 far 0 87 0 - 6.8-7.2 HB2 GLU 50 - HG3 PRO 44 far 0 99 0 - 7.8-8.5 HD2 ARG 69 - HG3 PRO 44 far 0 89 0 - 8.9-13.8 HB3 GLU 50 - HG3 PRO 44 far 0 99 0 - 9.2-10.1 HD3 ARG 69 - HG3 PRO 44 far 0 89 0 - 9.4-13.8 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 2.3-2.7 2.3=100 HA PHE 48 - HG3 PRO 44 far 0 98 0 - 7.3-7.7 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 2.3-2.7 2.3=100 HA VAL 45 - HG3 PRO 44 far 0 76 0 - 6.7-6.8 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 67 68 100 98 3.5-3.9 4487=44, 4.3/4407=43...(11) 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 6 assignments used, quality = 1.00: * HB VAL 45 + HA VAL 45 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 PRO 44 - HA VAL 45 far 0 71 0 - 4.5-4.7 HG2 PRO 44 - HA VAL 45 far 0 87 0 - 5.4-5.5 HB2 GLU 50 - HA VAL 45 far 0 71 0 - 7.5-8.5 HB VAL 76 - HA VAL 45 far 0 81 0 - 8.8-20.9 HB3 GLU 50 - HA VAL 45 far 0 71 0 - 9.2-10.1 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 2.1-2.1 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 3.1-3.1 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 2.1-2.2 3.9=74, 630/2.1=67...(5) H ASN 49 - HB VAL 45 far 0 68 0 - 5.9-6.3 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 2.7-2.8 3.0=100 HD3 PRO 44 - HB VAL 45 far 0 76 0 - 7.5-7.7 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; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 45 + QG2 VAL 45 OK 100 100 100 100 3.5-3.6 629=100, 630/2.1=71...(9) H ASN 49 + QG2 VAL 45 OK 49 68 75 97 4.1-4.7 4.5/4421=33, 4487/3.2=30...(14) 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 2.1-2.1 3.2=100 HD3 PRO 44 - QG2 VAL 45 far 0 76 0 - 7.4-7.7 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 - 5.2-5.5 HB VAL 76 - QG2 VAL 45 far 0 81 0 - 5.7-17.0 HG2 PRO 44 - QG2 VAL 45 far 0 87 0 - 6.4-6.5 HB2 GLU 50 - QG2 VAL 45 far 0 71 0 - 7.7-8.6 HB3 GLU 50 - QG2 VAL 45 far 0 71 0 - 9.0-9.8 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 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (8.62, 0.99, 19.47 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 45 + QG1 VAL 45 OK 100 100 100 100 2.9-3.0 630=100, 2098/2.1=70...(9) H ASN 49 + QG1 VAL 45 OK 36 68 55 95 4.3-4.7 4487/3.2=30...(13) 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 3.1-3.1 3.2=100 HD3 PRO 44 - QG1 VAL 45 far 0 76 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (2.06, 0.99, 19.47 ppm; 3.10 A): 2 out of 6 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 OK 55 71 90 87 3.8-4.0 4.2/630=28, 2.3/5654=24...(13) HG2 PRO 44 - QG1 VAL 45 far 0 87 0 - 5.0-5.4 HB VAL 76 - QG1 VAL 45 far 0 81 0 - 6.8-19.5 HB2 GLU 50 - QG1 VAL 45 far 0 71 0 - 6.8-7.8 HB3 GLU 50 - QG1 VAL 45 far 0 71 0 - 8.0-9.2 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): 2 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 OK 21 100 25 85 4.2-5.1 171/3.6=50, 175/4489=43...(6) 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 3 assignments used, quality = 1.00: * HB2 ASP 46 + HA ASP 46 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 ASN 49 - HA ASP 46 far 0 81 0 - 4.1-5.6 HB2 ASN 80 - HA ASP 46 far 0 100 0 - 7.5-31.2 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 2.9-2.9 3.0=100 HB2 ASP 24 - HA ASP 67 far 0 87 0 - 7.4-10.1 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 2.1-3.4 633=100, 634/1.8=91...(6) H PHE 48 - HB2 ASP 46 far 0 100 0 - 5.0-5.6 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 2.7-2.8 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 2.1-3.2 634=100, 633/1.8=82...(7) H PHE 48 - HB3 ASP 46 far 0 100 0 - 4.8-5.5 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 2.9-2.9 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 3 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 - 7.0-8.4 HB2 ASN 80 - HB3 ASP 46 far 0 100 0 - 7.1-33.1 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 2.8-2.9 3.0=100 HE ARG 54 - HA ASP 47 far 15 100 15 - 3.7-9.6 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 2.5-3.0 3.0=100 HB3 ASN 49 - HA ASP 47 far 0 96 0 - 5.9-7.5 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 2.6-3.0 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 - 5.4-11.6 H ILE 40 - HB2 ASP 47 far 0 71 0 - 8.7-11.0 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 2 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HA MET 11 - HB2 ASP 47 far 0 97 0 - 5.9-45.5 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 2.3-3.2 4.1=100 HE ARG 54 - HB3 ASP 47 far 0 100 0 - 6.1-11.0 H ILE 40 - HB3 ASP 24 far 0 35 0 - 8.5-12.4 H ILE 40 - HB3 ASP 47 far 0 71 0 - 8.6-10.9 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 2 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.6-3.0 3.0=100 HA MET 11 - HB3 ASP 47 far 0 97 0 - 6.7-44.1 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 - 7.7-9.4 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 2.7-2.8 3.0=100 H ASP 46 - HA PHE 48 far 0 100 0 - 6.4-6.9 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 2.4-3.0 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 2.3-3.0 3.0=100 HB2 ASN 49 - HA PHE 48 far 0 92 0 - 5.6-5.9 HB2 PHE 35 - HA PHE 48 far 0 57 0 - 8.3-9.1 HB3 PHE 35 - HA PHE 48 far 0 63 0 - 8.7-9.8 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 2.4-3.0 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): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB2 PHE 48 OK 100 100 100 100 2.3-2.8 641=100, 642/1.8=87...(13) H ASP 46 + HB2 PHE 48 OK 31 100 35 87 4.7-5.6 3.5/4455=49, 919/4428=39...(8) 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 2.4-3.0 3.0=100 HD2 PRO 44 - HB2 PHE 48 far 15 99 15 - 4.8-6.8 HA ARG 70 - HB2 PHE 48 far 0 63 0 - 9.1-11.5 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 - 4.5-6.3 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 2.3-2.6 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 2.3-2.8 642=100, 641/1.8=85...(11) H ASP 46 - HB3 PHE 48 poor 20 100 25 79 4.6-6.3 3.5/4866=47, 919/4429=26...(6) 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 2.3-3.0 3.0=100 HD2 PRO 44 - HB3 PHE 48 far 15 99 15 - 4.6-6.8 HA PHE 48 - HB2 PHE 35 far 0 55 0 - 8.3-9.1 HA PHE 48 - HB3 PHE 35 far 0 61 0 - 8.7-9.8 HA ARG 54 - HB3 PHE 35 far 0 41 0 - 9.2-11.1 HA ARG 70 - HB3 PHE 48 far 0 63 0 - 9.2-11.2 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 5 assignments used, quality = 1.00: * QD PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.3-2.6 2.5=100 QD PHE 48 - HB2 PHE 35 far 0 54 0 - 7.5-8.6 QD PHE 48 - HB3 PHE 35 far 0 60 0 - 8.2-9.4 QD TYR 81 - HB2 PHE 35 far 0 54 0 - 8.4-30.8 QD TYR 81 - HB3 PHE 35 far 0 59 0 - 9.5-31.7 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 2.4-3.0 3.7=100 HD2 PRO 44 - QD PHE 48 far 0 98 0 - 6.3-7.7 HA ARG 70 - QD PHE 48 far 0 61 0 - 7.3-9.5 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 3 assignments used, quality = 1.00: * HB2 PHE 48 + QD PHE 48 OK 100 100 100 100 2.3-2.6 2.5=100 HD2 ARG 84 - QD PHE 48 far 0 77 0 - 8.0-33.1 HD3 ARG 84 - QD PHE 48 far 0 72 0 - 8.5-31.8 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 2.3-2.6 2.5=100 HB2 ASN 49 + QD PHE 48 OK 88 91 100 97 3.3-4.9 4.0/180=72, ~4493=46...(7) HB2 PHE 35 - QD PHE 48 far 0 56 0 - 7.5-8.6 HB3 PHE 35 - QD PHE 48 far 0 61 0 - 8.2-9.4 HB2 ASP 67 - QD PHE 48 far 0 91 0 - 9.5-10.4 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 - 8.0-8.7 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): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HA ASN 49 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 PHE 48 + HA ASN 49 OK 21 90 25 92 4.4-5.6 ~177=35, 178/3.0=32...(9) 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 2.3-2.8 3.0=100 HB2 ASP 47 - HA ASN 49 far 0 96 0 - 7.4-8.7 HB2 ASP 46 - HA ASN 49 far 0 81 0 - 7.7-8.8 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 2 assignments used, quality = 1.00: * HD21 ASN 49 + HA ASN 49 OK 100 100 100 100 4.3-5.2 4.4=100 HE22 GLN 79 - HA ASN 49 far 0 100 0 - 6.6-33.1 Violated in 3 structures by 0.01 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 4.1-4.7 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 2.1-2.5 4.0=86, 648/1.8=82...(11) H VAL 45 - HB2 ASN 49 far 0 68 0 - 6.4-7.2 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 2.6-3.0 3.0=100 HA ALA 53 - HB2 ASN 49 far 0 71 0 - 8.8-10.1 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 4 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 - 5.0-7.0 HB2 ASP 47 - HB2 ASN 49 far 0 96 0 - 6.4-8.3 HB2 ASN 80 - HB2 ASN 49 far 0 71 0 - 8.5-29.6 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 2 assignments used, quality = 1.00: * HD21 ASN 49 + HB2 ASN 49 OK 100 100 100 100 2.2-3.5 3.5=100 HE22 GLN 79 - HB2 ASN 49 far 0 100 0 - 6.5-34.4 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 2.1-3.5 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 3.4-3.6 648=100, 2167/1.8=75...(7) H VAL 45 - HB3 ASN 49 far 0 68 0 - 8.1-8.9 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 2.3-2.8 3.0=100 HA ALA 53 - HB3 ASN 49 far 0 71 0 - 7.6-9.0 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 - 5.5-7.4 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 2 assignments used, quality = 1.00: * HD21 ASN 49 + HB3 ASN 49 OK 100 100 100 100 2.8-4.0 3.5=100 HE22 GLN 79 - HB3 ASN 49 far 0 100 0 - 6.3-34.8 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 2.7-3.8 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 2.8-2.9 3.0=100 H MET 31 - HA GLN 61 far 0 76 0 - 6.5-8.4 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): 2 out of 6 assignments used, quality = 1.00: HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.6-2.6 3.0=100 * HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 MET 31 - HA GLN 61 poor 15 52 40 71 3.0-6.0 4.3/5079=30, 3162=15...(10) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 9.0-9.5 HG2 PRO 56 - HA GLN 61 far 0 96 0 - 9.4-12.4 HB2 GLU 87 - HA GLU 50 far 0 98 0 - 9.8-51.1 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.6-2.6 3.0=100 HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 MET 31 - HA GLN 61 poor 15 52 40 71 3.0-6.0 4.3/5079=30, 3162=15...(10) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 9.0-9.5 HG2 PRO 56 - HA GLN 61 far 0 96 0 - 9.4-12.4 HB2 GLU 87 - HA GLU 50 far 0 98 0 - 9.8-51.1 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 2.4-3.7 3.7=100 HB VAL 65 - HA GLN 61 far 8 81 10 - 4.8-6.7 HG2 GLU 59 - HA GLN 61 far 0 57 0 - 7.2-9.9 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 3 assignments used, quality = 1.00: * HG3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.6-3.7 3.7=100 HG2 GLU 87 - HA GLU 50 far 0 99 0 - 7.2-50.6 HG3 GLU 87 - HA GLU 50 far 0 98 0 - 7.6-51.2 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 98 100 100 98 2.2-2.3 3.9=61, 656/3.0=45...(12) H GLU 50 + HB3 GLU 50 OK 97 100 100 97 3.5-3.6 3.9=61, 656/3.0=45...(10) H MET 31 - HB3 GLU 25 far 0 55 0 - 8.3-10.1 H MET 31 - HB2 GLU 25 far 0 56 0 - 8.8-9.9 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 13 assignments used, quality = 1.00: HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.6-2.6 3.0=100 * HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 3.0-3.0 3.0=100 HA2 GLY 21 - HB2 GLU 25 poor 17 68 25 - 3.2-7.4 HA3 GLY 21 - HB2 GLU 25 poor 11 67 35 45 2.9-6.9 3.5/4152=11, 5284/3.0=10...(7) HA3 GLY 21 - HB3 GLU 25 poor 10 66 35 44 3.3-7.7 3.5/4152=10, 5284/3.0=10...(7) HA2 GLY 21 - HB3 GLU 25 far 10 67 15 - 3.9-8.4 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.3-9.3 HA THR 37 - HB2 GLU 25 far 0 40 0 - 6.6-10.4 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 6.8-8.1 HA ALA 28 - HB2 GLU 25 far 0 74 0 - 7.0-8.2 HA2 GLY 72 - HB3 GLU 25 far 0 74 0 - 8.4-14.0 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 9.1-13.5 HA LYS 32 - HB3 GLU 25 far 0 66 0 - 9.4-12.6 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 4 assignments used, quality = 1.00: HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-2.5 3.0=100 * HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 11 - HB2 GLU 50 far 0 83 0 - 9.3-43.2 HG3 MET 11 - HB3 GLU 50 far 0 83 0 - 9.4-43.3 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 10 assignments used, quality = 1.00: * HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.3-2.5 3.0=93, 656/3.9=25...(11) HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.6-3.0 3.0=93, 656/3.9=25...(11) HG3 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.9-11.3 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.2-11.5 HG2 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.9-11.6 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 6.3-11.3 HG2 GLU 87 - HB3 GLU 50 far 0 99 0 - 8.3-51.9 HG3 GLU 87 - HB3 GLU 50 far 0 98 0 - 8.6-52.8 HG2 GLU 87 - HB2 GLU 50 far 0 99 0 - 9.4-50.8 HG3 GLU 87 - HB2 GLU 50 far 0 98 0 - 9.9-51.9 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 98 100 100 98 2.2-2.3 3.9=61, 656/3.0=45...(12) * H GLU 50 + HB3 GLU 50 OK 97 100 100 97 3.5-3.6 3.9=61, 656/3.0=45...(10) H MET 31 - HB3 GLU 25 far 0 55 0 - 8.3-10.1 H MET 31 - HB2 GLU 25 far 0 56 0 - 8.8-9.9 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 13 assignments used, quality = 1.00: * HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.6-2.6 3.0=100 HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 3.0-3.0 3.0=100 HA2 GLY 21 - HB2 GLU 25 poor 17 68 25 - 3.2-7.4 HA3 GLY 21 - HB2 GLU 25 poor 11 67 35 45 2.9-6.9 3.5/4152=11, 5284/3.0=10...(7) HA3 GLY 21 - HB3 GLU 25 poor 10 66 35 44 3.3-7.7 3.5/4152=10, 5284/3.0=10...(7) HA2 GLY 21 - HB3 GLU 25 far 10 67 15 - 3.9-8.4 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.3-9.3 HA THR 37 - HB2 GLU 25 far 0 40 0 - 6.6-10.4 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 6.8-8.1 HA ALA 28 - HB2 GLU 25 far 0 74 0 - 7.0-8.2 HA2 GLY 72 - HB3 GLU 25 far 0 74 0 - 8.4-14.0 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 9.1-13.5 HA LYS 32 - HB3 GLU 25 far 0 66 0 - 9.4-12.6 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 4 assignments used, quality = 1.00: * HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 11 - HB2 GLU 50 far 0 83 0 - 9.3-43.2 HG3 MET 11 - HB3 GLU 50 far 0 83 0 - 9.4-43.3 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 10 assignments used, quality = 1.00: HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.3-2.5 3.0=93, 656/3.9=25...(11) * HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.6-3.0 3.0=93, 656/3.9=25...(11) HG3 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.9-11.3 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.2-11.5 HG2 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.9-11.6 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 6.3-11.3 HG2 GLU 87 - HB3 GLU 50 far 0 99 0 - 8.3-51.9 HG3 GLU 87 - HB3 GLU 50 far 0 98 0 - 8.6-52.8 HG2 GLU 87 - HB2 GLU 50 far 0 99 0 - 9.4-50.8 HG3 GLU 87 - HB2 GLU 50 far 0 98 0 - 9.9-51.9 Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (7.73, 2.37, 36.01 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + HG2 GLU 50 OK 100 100 100 100 3.8-4.0 655=100, 656/1.8=82...(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 2.4-3.7 3.7=100 HA GLN 61 - HG2 GLU 59 far 0 63 0 - 7.2-9.9 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 9 assignments used, quality = 1.00: HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-2.5 3.0=100 * HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 91 - HG2 GLU 59 far 3 63 5 - 3.5-55.9 HB2 GLU 87 - HG2 GLU 59 far 0 59 0 - 6.8-44.6 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.2-9.6 HB VAL 90 - HG2 GLU 59 far 0 42 0 - 8.9-50.9 HB2 GLU 87 - HG2 GLU 50 far 0 98 0 - 9.0-53.0 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 9.7-15.6 HB VAL 45 - HG2 GLU 50 far 0 71 0 - 9.9-11.8 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 9 assignments used, quality = 1.00: * HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 91 - HG2 GLU 59 far 3 63 5 - 3.5-55.9 HB2 GLU 87 - HG2 GLU 59 far 0 59 0 - 6.8-44.6 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.2-9.6 HB VAL 90 - HG2 GLU 59 far 0 42 0 - 8.9-50.9 HB2 GLU 87 - HG2 GLU 50 far 0 98 0 - 9.0-53.0 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 9.7-15.6 HB VAL 45 - HG2 GLU 50 far 0 71 0 - 9.9-11.8 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 5 assignments used, quality = 1.00: * HG3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 87 - HG2 GLU 50 far 0 99 0 - 6.5-52.5 HG3 GLU 87 - HG2 GLU 50 far 0 98 0 - 7.2-53.0 HG3 GLU 87 - HG2 GLU 59 far 0 59 0 - 8.9-44.8 HG2 GLU 87 - HG2 GLU 59 far 0 60 0 - 9.5-44.3 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 4 assignments used, quality = 1.00: * H GLU 50 + HG3 GLU 50 OK 100 100 100 100 2.6-3.6 656=100, 655/1.8=81...(6) H GLU 50 - HG2 GLU 87 far 0 99 0 - 9.7-48.9 H ASN 42 - HG2 GLU 19 far 0 69 0 - 9.7-23.8 H MET 31 - HG3 GLU 19 far 0 54 0 - 9.9-18.5 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 15 assignments used, quality = 1.00: * HA GLU 50 + HG3 GLU 50 OK 100 100 100 100 2.6-3.7 3.7=100 HA2 GLY 21 - HG2 GLU 19 far 3 66 5 - 3.5-9.8 HA2 GLY 21 - HG3 GLU 19 far 3 66 5 - 4.3-9.7 HA3 GLY 21 - HG2 GLU 19 far 0 65 0 - 4.9-9.3 HA3 GLY 21 - HG3 GLU 19 far 0 65 0 - 5.5-9.5 HA THR 37 - HG3 GLU 19 far 0 39 0 - 7.0-19.4 HA THR 37 - HG2 GLU 19 far 0 39 0 - 7.2-19.4 HA GLU 50 - HG2 GLU 87 far 0 99 0 - 7.2-50.6 HA GLU 50 - HG3 GLU 87 far 0 98 0 - 7.6-51.2 HA LYS 32 - HG3 GLU 19 far 0 65 0 - 8.5-20.0 HA2 GLY 72 - HG3 GLU 19 far 0 73 0 - 8.7-23.3 HA ALA 28 - HG3 GLU 19 far 0 71 0 - 8.9-17.6 HA ALA 28 - HG2 GLU 19 far 0 71 0 - 9.1-17.1 HA LYS 32 - HG2 GLU 19 far 0 65 0 - 9.2-19.9 HA2 GLY 72 - HG2 GLU 19 far 0 73 0 - 9.4-23.0 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 6 out of 20 assignments used, quality = 1.00: * HB2 GLU 50 + HG3 GLU 50 OK 85 100 100 85 2.3-2.5 3.0=66, 1.8/2196=27...(7) HB3 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.6-3.0 3.0=66, 1.8/2196=27...(6) HB2 GLU 87 + HG3 GLU 87 OK 73 95 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 73 96 100 76 2.3-3.0 3.0=66, 3566/1.8=17...(7) HB3 GLU 19 + HG3 GLU 19 OK 59 73 100 81 2.4-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 19 + HG2 GLU 19 OK 59 73 100 81 2.3-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 4.9-11.3 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 99 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 99 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 98 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 98 0 - 8.6-52.8 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 8.9-10.6 HB2 GLU 50 - HG2 GLU 87 far 0 99 0 - 9.4-50.8 HB2 GLU 50 - HG3 GLU 87 far 0 98 0 - 9.9-51.9 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 6 out of 20 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 85 100 100 85 2.3-2.5 3.0=66, 1.8/2196=27...(7) * HB3 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.6-3.0 3.0=66, 1.8/2196=27...(6) HB2 GLU 87 + HG3 GLU 87 OK 73 95 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 73 96 100 76 2.3-3.0 3.0=66, 3566/1.8=17...(7) HB3 GLU 19 + HG3 GLU 19 OK 59 73 100 81 2.4-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 19 + HG2 GLU 19 OK 59 73 100 81 2.3-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 4.9-11.3 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 99 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 99 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 98 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 98 0 - 8.6-52.8 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 8.9-10.6 HB2 GLU 50 - HG2 GLU 87 far 0 99 0 - 9.4-50.8 HB2 GLU 50 - HG3 GLU 87 far 0 98 0 - 9.9-51.9 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 5 assignments used, quality = 1.00: * HG2 GLU 50 + HG3 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 50 - HG2 GLU 87 far 0 99 0 - 6.5-52.5 HG2 GLU 50 - HG3 GLU 87 far 0 98 0 - 7.2-53.0 HG2 GLU 59 - HG3 GLU 87 far 0 59 0 - 8.9-44.8 HG2 GLU 59 - HG2 GLU 87 far 0 60 0 - 9.5-44.3 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 2.7-2.8 3.0=100 H ARG 54 + HA LEU 51 OK 98 100 100 98 3.1-3.7 4567=57, 676/5219=41...(13) H LEU 43 - HA LEU 51 far 0 97 0 - 9.3-10.6 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 4 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 54 + HA LEU 51 OK 58 92 65 97 2.0-4.9 3.0/5220=44, 3.0/5219=41...(15) HB2 LEU 52 - HA LEU 51 far 0 93 0 - 6.6-6.6 QB ALA 12 - HA LEU 51 far 0 97 0 - 9.5-30.8 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.60, 3.89, 57.93 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 ARG 54 + HA LEU 51 OK 52 76 70 97 3.2-4.8 3.0/5219=44, 1.8/4570=38...(16) HD3 LYS 39 - HA LEU 51 far 0 89 0 - 5.8-9.3 HD2 LYS 39 - HA LEU 51 far 0 90 0 - 6.0-9.3 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 2.5-3.5 2.1/2245=86, 4.3=71...(14) QD1 LEU 62 - HA LEU 51 far 0 87 0 - 7.4-9.0 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 3.8-4.0 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 2.2-2.8 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 2.3-3.1 659=81, 660/1.8=79...(14) H ARG 54 - HB2 LEU 52 far 0 61 0 - 5.1-6.1 H ARG 54 - HB2 LEU 51 far 0 100 0 - 5.2-5.8 H LEU 51 - HB2 LEU 52 far 0 61 0 - 6.1-6.5 H LEU 43 - HB2 LEU 51 far 0 97 0 - 6.8-8.4 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 5 assignments used, quality = 1.00: * HA LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 51 - HB2 LEU 52 far 0 61 0 - 6.6-6.6 HA ILE 33 - HB2 LEU 52 far 0 60 0 - 9.7-11.2 HD2 PRO 36 - HB2 LEU 51 far 0 81 0 - 9.8-10.8 HA ILE 33 - HB2 LEU 51 far 0 100 0 - 9.8-12.0 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 12 assignments used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 39 - HB2 LEU 51 far 0 90 0 - 4.1-7.7 HB3 LEU 62 - HB2 LEU 52 far 0 55 0 - 4.3-6.6 HD3 LYS 39 - HB2 LEU 51 far 0 89 0 - 4.4-8.1 HG3 ARG 54 - HB2 LEU 51 far 0 76 0 - 5.2-7.0 HB3 LEU 51 - HB2 LEU 52 far 0 61 0 - 5.6-6.7 HG3 ARG 54 - HB2 LEU 52 far 0 39 0 - 7.6-9.3 HD3 LYS 39 - HB2 LEU 52 far 0 48 0 - 9.1-13.3 HG2 ARG 84 - HB2 LEU 52 far 0 59 0 - 9.5-37.8 HB2 LEU 86 - HB2 LEU 52 far 0 51 0 - 9.5-44.6 HG LEU 86 - HB2 LEU 52 far 0 61 0 - 9.7-47.0 HD2 LYS 39 - HB2 LEU 52 far 0 49 0 - 9.9-13.4 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 5 assignments used, quality = 1.00: * HG LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.5-3.0 3.0=100 QD1 LEU 62 + HB2 LEU 52 OK 46 47 100 100 2.3-3.7 2.1/5004=75, ~4680=40...(16) HG LEU 51 - HB2 LEU 52 far 9 61 15 - 5.0-6.9 QD1 LEU 86 - HB2 LEU 52 far 0 60 0 - 6.5-39.6 QD1 LEU 62 - HB2 LEU 51 far 0 87 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (0.19, 1.32, 41.26 ppm; 5.53 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-2.8 3.1=100 QD2 LEU 51 + HB2 LEU 52 OK 58 61 100 96 4.9-6.4 198/3.9=74, ~4952=34...(8) 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 2.0-3.2 3.1=100 QD1 LEU 51 - HB2 LEU 52 far 0 61 0 - 5.7-7.4 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 2.1-2.8 660=100, 2216/1.8=72...(13) H ARG 54 - HB3 LEU 51 far 0 100 0 - 5.1-5.8 H LEU 43 - HB3 LEU 51 far 0 97 0 - 7.1-8.1 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 3 assignments used, quality = 1.00: * HA LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.7-3.0 3.0=100 HD2 PRO 36 - HB3 LEU 51 far 0 81 0 - 9.8-11.3 HA ILE 33 - HB3 LEU 51 far 0 100 0 - 9.9-12.0 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 5 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 - 4.9-7.5 HB2 LEU 52 - HB3 LEU 51 far 0 93 0 - 5.6-6.7 QB ALA 28 - HB3 LEU 51 far 0 89 0 - 9.3-11.7 QB ALA 12 - HB3 LEU 51 far 0 97 0 - 9.3-31.1 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 2.5-3.0 3.0=100 QD1 LEU 62 - HB3 LEU 51 far 0 87 0 - 6.9-9.0 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 2.0-2.4 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 2.2-3.2 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 4.2-4.5 661=100, 660/3.0=92...(12) H ARG 54 + HG LEU 51 OK 95 100 100 95 4.6-5.5 4567/2213=64...(6) H LEU 43 - HG LEU 51 far 0 97 0 - 8.5-9.7 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 2.5-3.5 4.3=100 HD2 PRO 36 - HG LEU 51 far 0 81 0 - 7.6-10.0 HA ILE 33 - HG LEU 51 far 0 100 0 - 8.0-9.6 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 2.5-3.0 3.0=100 HB2 LEU 52 - HG LEU 51 far 5 93 5 - 5.0-6.9 HG2 ARG 54 - HG LEU 51 far 5 92 5 - 4.2-7.8 QB ALA 28 - HG LEU 51 far 0 89 0 - 8.4-10.5 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 2.5-3.0 3.0=100 HD3 LYS 39 - HG LEU 51 far 9 89 10 - 4.0-7.5 HD2 LYS 39 - HG LEU 51 far 0 90 0 - 4.8-7.6 HG3 ARG 54 - HG LEU 51 far 0 76 0 - 5.8-7.4 HB3 LEU 62 - HG LEU 51 far 0 97 0 - 8.8-11.6 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): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD2 LEU 51 OK 100 100 100 100 4.1-4.3 4.5=100 H LEU 43 + QD2 LEU 51 OK 40 97 45 93 5.1-6.3 624/4917=66, 625/4916=51...(4) H ARG 54 - QD2 LEU 51 far 5 100 5 - 5.4-6.4 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 3.8-4.0 4.0=100 HD2 PRO 36 - QD2 LEU 51 far 0 81 0 - 5.9-7.3 HA ILE 33 - QD2 LEU 51 far 0 100 0 - 6.6-8.3 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 6 assignments used, quality = 1.00: * HB2 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.3-2.8 3.1=100 HB2 LEU 52 - QD2 LEU 51 far 0 93 0 - 4.9-6.4 HG2 ARG 54 - QD2 LEU 51 far 0 92 0 - 5.4-7.9 QB ALA 28 - QD2 LEU 51 far 0 89 0 - 6.1-7.9 QB ALA 12 - QD2 LEU 51 far 0 97 0 - 7.5-24.4 QG2 THR 58 - QD2 LEU 51 far 0 98 0 - 9.3-10.5 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 9 assignments used, quality = 1.00: * HB3 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.0-2.4 3.1=100 HD2 LYS 39 + QD2 LEU 51 OK 65 90 75 96 2.1-5.1 3.5/5205=32, 3.5/5204=31...(22) HD3 LYS 39 + QD2 LEU 51 OK 51 89 60 95 1.9-5.3 3.5/5205=32, 3.5/5204=31...(22) HG3 ARG 54 - QD2 LEU 51 far 0 76 0 - 6.6-7.8 HB3 LEU 62 - QD2 LEU 51 far 0 97 0 - 8.0-9.5 HD3 LYS 73 - QD2 LEU 51 far 0 97 0 - 8.4-12.9 HD2 LYS 73 - QD2 LEU 51 far 0 97 0 - 8.8-13.1 HG2 ARG 71 - QD2 LEU 51 far 0 83 0 - 9.7-12.8 HG3 ARG 17 - QD2 LEU 51 far 0 83 0 - 9.8-21.0 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 3 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 - 6.0-7.6 HG12 ILE 68 - QD2 LEU 51 far 0 60 0 - 8.0-9.5 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 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (7.53, 0.62, 23.89 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD1 LEU 51 OK 100 100 100 100 3.3-4.3 663=85, 3.0/2245=77...(14) H ARG 54 + QD1 LEU 51 OK 58 100 60 97 3.9-5.6 4567/2245=55...(12) H LEU 43 - QD1 LEU 51 far 0 97 0 - 5.6-8.0 Violated in 4 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 2.2-2.8 2215=84, 2213/2.1=44...(19) HD2 PRO 36 - QD1 LEU 51 far 0 81 0 - 6.1-7.0 HA ILE 33 - QD1 LEU 51 far 0 100 0 - 6.7-9.0 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 6 assignments used, quality = 1.00: * HB2 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 54 - QD1 LEU 51 far 14 92 15 - 4.0-5.9 HB2 LEU 52 - QD1 LEU 51 far 0 93 0 - 5.7-7.4 QB ALA 12 - QD1 LEU 51 far 0 97 0 - 7.6-23.7 QB ALA 28 - QD1 LEU 51 far 0 89 0 - 7.6-9.0 QG2 THR 58 - QD1 LEU 51 far 0 98 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 2247 from cnoeabs.peaks (1.60, 0.62, 23.89 ppm; 3.54 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.2-3.2 3.1=100 HD2 LYS 39 + QD1 LEU 51 OK 70 90 85 92 2.5-4.7 3.0/6093=21, 2240/2.1=20...(20) HD3 LYS 39 + QD1 LEU 51 OK 45 89 55 92 2.0-4.8 3.0/6093=21, 3.5/5203=20...(20) HG3 ARG 54 - QD1 LEU 51 far 0 76 0 - 4.5-6.2 HB3 LEU 62 - QD1 LEU 51 far 0 97 0 - 8.9-11.4 HG3 ARG 17 - QD1 LEU 51 far 0 83 0 - 9.4-22.3 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 3 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 - 6.3-8.8 HG12 ILE 68 - QD1 LEU 51 far 0 60 0 - 9.8-11.5 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 1.9-2.1 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 - 8.6-10.7 H LEU 64 - HA LEU 52 far 0 97 0 - 9.1-10.8 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 5 assignments used, quality = 1.00: * HB2 LEU 52 + HA LEU 52 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LEU 51 - HA LEU 52 far 5 93 5 - 3.9-5.7 HG2 ARG 54 - HA LEU 52 far 0 60 0 - 5.7-8.0 QG2 THR 58 - HA LEU 52 far 0 76 0 - 8.2-8.9 QB ALA 28 - HA LEU 52 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (1.47, 3.81, 57.23 ppm; 3.70 A): 2 out of 4 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 OK 26 100 30 86 4.2-5.5 3.1/4551=49...(8) QB ALA 63 - HA LEU 52 far 0 95 0 - 8.9-10.5 HG12 ILE 33 - HA LEU 52 far 0 60 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (1.20, 3.81, 57.23 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 52 + HA LEU 52 OK 100 100 100 100 3.0-3.4 3.7=100 QG2 VAL 65 + HA LEU 52 OK 69 89 90 87 4.1-5.5 4726/2287=50...(8) HG13 ILE 33 - HA LEU 52 far 0 73 0 - 9.3-10.2 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 3.9-4.0 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 2.0-2.5 2287=100, 670/3.0=40...(21) 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...(12) H LEU 52 + HB2 LEU 51 OK 61 61 100 99 2.6-4.2 196/1.8=84, 4.6=56...(9) H LEU 64 - HB2 LEU 52 far 0 97 0 - 8.2-10.1 HE21 GLN 61 - HB2 LEU 52 far 0 60 0 - 9.4-11.6 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 3 assignments used, quality = 1.00: * HA LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.3-2.5 3.0=100 HA LEU 52 - HB2 LEU 51 far 3 61 5 - 3.9-5.7 HD2 PRO 14 - HB2 LEU 51 far 0 44 0 - 8.9-33.0 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 5 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 - 4.5-5.8 HB3 LEU 52 - HB2 LEU 51 far 0 61 0 - 5.0-6.8 QB ALA 63 - HB2 LEU 52 far 0 95 0 - 7.6-9.6 HB3 LEU 57 - HB2 LEU 51 far 0 60 0 - 8.4-10.1 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 5 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 poor 18 89 20 - 4.3-5.8 HG LEU 52 - HB2 LEU 51 far 3 61 5 - 3.3-5.6 QG2 VAL 65 - HB2 LEU 51 far 0 48 0 - 5.0-7.7 HG13 ILE 33 - HB2 LEU 51 far 0 37 0 - 9.8-12.3 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 2.3-2.6 3.1=100 QD1 LEU 52 - HB2 LEU 51 far 0 61 0 - 4.7-6.7 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 2.1-2.4 3.1=100 QD2 LEU 52 - HB2 LEU 51 far 3 61 5 - 2.9-5.6 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 2 assignments used, quality = 1.00: * H LEU 52 + HB3 LEU 52 OK 100 100 100 100 2.4-2.7 667=100, 668/3.0=67...(13) H LEU 64 - HB3 LEU 52 far 0 97 0 - 9.8-11.6 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 4 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 - 5.0-6.8 HG2 ARG 54 - HB3 LEU 52 far 0 60 0 - 6.4-8.4 QG2 THR 58 - HB3 LEU 52 far 0 76 0 - 9.1-10.2 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 2.4-2.6 3.0=100 QG2 VAL 65 - HB3 LEU 52 far 0 89 0 - 5.6-6.7 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 2.1-2.3 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 2 assignments used, quality = 1.00: * H LEU 52 + HG LEU 52 OK 100 100 100 100 1.9-2.3 668=100, 670/2.1=68...(12) H LEU 64 - HG LEU 52 far 0 97 0 - 9.5-10.7 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 3.0-3.4 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 5 93 5 - 3.3-5.6 HG2 ARG 54 - HG LEU 52 far 0 60 0 - 6.5-9.1 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 2.4-2.6 3.0=100 HB3 LEU 57 - HG LEU 52 far 0 100 0 - 6.6-7.7 QB ALA 63 - HG LEU 52 far 0 95 0 - 9.0-10.3 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 3.3-3.7 669=100, 668/2.1=89...(12) H LEU 64 - QD1 LEU 52 far 0 97 0 - 7.1-8.1 HE21 GLN 61 - QD1 LEU 52 far 0 60 0 - 9.5-11.5 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 3.9-4.0 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 2.3-2.6 3.1=100 HB2 LEU 51 - QD1 LEU 52 far 0 93 0 - 4.7-6.7 HG2 ARG 54 - QD1 LEU 52 far 0 60 0 - 7.1-9.1 QG2 THR 58 - QD1 LEU 52 far 0 76 0 - 8.2-9.4 QB ALA 28 - QD1 LEU 52 far 0 100 0 - 9.3-10.6 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 3 assignments used, quality = 1.00: * HB3 LEU 52 + QD1 LEU 52 OK 100 100 100 100 2.1-2.3 3.1=100 HB3 LEU 57 - QD1 LEU 52 far 0 100 0 - 5.5-6.9 QB ALA 63 - QD1 LEU 52 far 0 95 0 - 6.3-7.5 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 9 89 10 - 4.2-5.1 HG13 ILE 33 - QD1 LEU 52 far 0 73 0 - 9.3-10.3 QG2 THR 37 - QD1 LEU 52 far 0 73 0 - 9.9-11.0 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 1.9-2.0 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 2.9-3.5 670=100, 668/2.1=86...(11) H LEU 64 - QD2 LEU 52 far 0 97 0 - 6.0-7.1 HE21 GLN 61 - QD2 LEU 52 far 0 60 0 - 7.2-9.6 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 2.0-2.5 2257=94, 3.0/670=39...(21) 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 2.1-2.4 3.1=100 HB2 LEU 51 - QD2 LEU 52 far 5 93 5 - 2.9-5.6 HG2 ARG 54 - QD2 LEU 52 far 0 60 0 - 6.7-8.7 QB ALA 28 - QD2 LEU 52 far 0 100 0 - 7.3-8.8 QG2 THR 58 - QD2 LEU 52 far 0 76 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (1.47, 0.51, 22.90 ppm; 3.70 A): 2 out of 5 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 OK 87 100 90 98 3.9-4.9 3.1/4554=60, 3.1/5751=34...(17) QB ALA 63 - QD2 LEU 52 far 0 95 0 - 6.1-7.3 HG12 ILE 33 - QD2 LEU 52 far 0 60 0 - 7.8-8.9 HG2 LYS 73 - QD2 LEU 52 far 0 100 0 - 9.9-12.2 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 4 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 85 89 100 96 2.4-3.1 4726=45, 2.1/4728=44...(19) HG13 ILE 33 - QD2 LEU 52 far 0 73 0 - 6.9-7.9 QG2 THR 37 - QD2 LEU 52 far 0 73 0 - 8.0-9.3 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 1.9-2.0 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 2.9-2.9 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 2.2-2.3 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 9 assignments used, quality = 1.00: * HA ALA 53 + QB ALA 53 OK 100 100 100 100 2.1-2.1 2.1=100 HA ILE 89 - QB ALA 53 far 0 99 0 - 3.9-47.6 HB THR 15 - QB ALA 78 far 0 59 0 - 4.6-40.2 HA ASN 49 - QB ALA 53 far 0 71 0 - 5.2-6.2 HA LYS 73 - QB ALA 78 far 0 52 0 - 6.7-15.3 HA ARG 82 - QB ALA 78 far 0 52 0 - 6.8-11.8 HA ASN 49 - QB ALA 78 far 0 35 0 - 8.2-23.8 HA ARG 84 - QB ALA 53 far 0 81 0 - 9.7-36.2 HA ARG 84 - QB ALA 78 far 0 41 0 - 9.8-15.5 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 - 6.6-7.2 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 3.0-3.0 3.0=100 HB2 LEU 57 - HA ARG 54 far 0 100 0 - 7.7-9.5 HB2 PRO 34 - HA ARG 54 far 0 93 0 - 7.9-10.8 HG2 PRO 34 - HA ARG 54 far 0 99 0 - 8.2-9.8 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 2.1-3.3 3.7=70, 1.8/2324=60...(25) HG LEU 62 - HA ARG 54 far 0 87 0 - 9.2-11.5 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 2.1-3.5 2324=100, 1.8/2332=75...(26) HB2 LEU 51 - HA ARG 54 far 0 92 0 - 7.0-7.9 HB2 LEU 52 - HA ARG 54 far 0 60 0 - 7.8-8.4 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 2.1-3.3 2332=75, 1.8/2324=60...(26) 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 - 7.5-8.1 HG LEU 62 - HA ARG 54 far 0 97 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 54 + HA ARG 54 OK 100 100 100 100 3.3-4.7 3.0/2332=75, 3.0/2324=74...(27) * HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 3.8-4.8 3.0/2332=75, 3.0/2324=74...(27) Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + HA ARG 54 OK 100 100 100 100 3.3-4.7 3.0/2332=75, 3.0/2324=74...(27) HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 3.8-4.8 3.0/2332=75, 3.0/2324=74...(27) 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 4 assignments used, quality = 1.00: * H ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.1-2.6 676=100, 2315/1.8=64...(17) H LEU 51 - HB2 ARG 54 far 10 100 10 - 4.3-5.2 H ARG 54 - HB2 PRO 34 far 0 51 0 - 7.4-10.9 H LEU 51 - HB2 PRO 34 far 0 51 0 - 9.9-13.1 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 3.0-3.0 3.0=100 HA PHE 48 - HB2 ARG 54 far 0 81 0 - 6.6-7.9 HA ARG 54 - HB2 PRO 34 far 0 51 0 - 7.9-10.8 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): 2 out of 8 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 OK 60 63 100 95 2.3-3.0 3.0=71, ~2326=19...(21) HB3 ARG 54 - HB2 PRO 34 far 0 51 0 - 6.5-10.2 HG2 LYS 39 - HB2 PRO 34 far 0 51 0 - 7.3-10.4 HG2 LYS 39 - HB2 ARG 54 far 0 100 0 - 7.8-10.5 HG LEU 62 - HB2 ARG 54 far 0 87 0 - 8.6-10.4 HG3 ARG 54 - HB2 PRO 34 far 0 26 0 - 8.8-12.4 HG2 LYS 39 - HB3 ARG 17 far 0 49 0 - 9.2-20.9 Violated in 0 structures by 0.00 A. Peak 2311 from cnoeabs.peaks (1.31, 1.76, 30.94 ppm; 3.85 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 51 + HB2 ARG 54 OK 72 92 80 98 4.1-5.2 3.0/5219=53, 3.1/4517=39...(14) HG2 LYS 32 - HB3 ARG 17 far 0 31 0 - 6.3-24.7 HB2 LEU 52 - HB2 ARG 54 far 0 60 0 - 6.9-7.6 HG3 LYS 32 - HB3 ARG 17 far 0 32 0 - 7.8-26.0 HG2 LYS 32 - HB2 PRO 34 far 0 32 0 - 8.0-10.6 HB2 LEU 51 - HB2 PRO 34 far 0 42 0 - 8.0-11.5 QG2 THR 58 - HB2 PRO 34 far 0 50 0 - 8.0-10.4 HG2 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.8-12.2 HG3 LYS 32 - HB2 PRO 34 far 0 34 0 - 9.0-10.6 HB2 LEU 52 - HB2 PRO 34 far 0 24 0 - 9.2-12.1 QB ALA 12 - HB3 ARG 17 far 0 27 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (1.58, 1.76, 30.94 ppm; 2.65 A): 2 out of 17 assignments used, quality = 0.99: * HG3 ARG 54 + HB2 ARG 54 OK 97 100 100 97 2.3-3.0 3.0=73, 2332/3.0=29...(24) HB3 ARG 54 + HB2 ARG 54 OK 63 63 100 100 1.8-1.8 1.8=100 HB3 LEU 51 - HB2 ARG 54 far 0 76 0 - 4.8-5.6 HB3 LEU 29 - HB3 ARG 17 far 0 49 0 - 5.3-19.1 HB3 ARG 54 - HB2 PRO 34 far 0 26 0 - 6.5-10.2 HD2 LYS 39 - HB2 PRO 34 far 0 49 0 - 7.2-10.9 HG2 LYS 39 - HB2 PRO 34 far 0 26 0 - 7.3-10.4 HD3 LYS 39 - HB3 ARG 17 far 0 48 0 - 7.4-22.9 HD3 LYS 39 - HB2 PRO 34 far 0 50 0 - 7.5-10.8 HD3 LYS 39 - HB2 ARG 54 far 0 99 0 - 7.5-10.7 HG2 LYS 39 - HB2 ARG 54 far 0 63 0 - 7.8-10.5 HD2 LYS 39 - HB2 ARG 54 far 0 99 0 - 8.0-11.0 HG LEU 62 - HB2 ARG 54 far 0 97 0 - 8.6-10.4 HB3 LEU 51 - HB2 PRO 34 far 0 32 0 - 8.8-11.9 HD2 LYS 39 - HB3 ARG 17 far 0 47 0 - 8.8-22.5 HG3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.8-12.4 HG2 LYS 39 - HB3 ARG 17 far 0 25 0 - 9.2-20.9 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 2.2-3.9 3.6=100 HD3 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.4-3.8 3.6=100 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.0-12.4 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 9.1-13.3 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 2.4-3.8 3.6=100 HD2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.2-3.9 3.6=100 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.0-12.4 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 9.1-13.3 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 3.5-3.6 676/1.8=88, 4.1=77...(16) H LEU 51 - HB3 ARG 54 far 0 100 0 - 5.9-6.6 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 - 8.0-9.4 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 5 assignments used, quality = 1.00: * HB2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 34 - HB3 ARG 54 far 0 93 0 - 6.5-10.2 HG2 PRO 34 - HB3 ARG 54 far 0 99 0 - 7.6-9.3 HB2 LEU 57 - HB3 ARG 54 far 0 100 0 - 8.0-10.0 HB3 LYS 39 - HB3 ARG 54 far 0 89 0 - 9.1-12.2 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 2.3-3.0 3.0=100 HB2 LEU 51 - HB3 ARG 54 far 0 92 0 - 5.3-6.9 HB2 LEU 52 - HB3 ARG 54 far 0 60 0 - 8.5-9.2 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 2.3-3.8 3.6=100 HD3 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.3-3.6 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 2.3-3.6 3.6=100 HD2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.3-3.8 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 2.2-4.2 678=100, 676/3.0=77...(18) H LEU 51 + HG2 ARG 54 OK 59 100 60 98 3.6-6.3 3.0/4570=49, ~5220=29...(14) 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 2.1-3.5 2303=97, 2332/1.8=74...(26) HA PHE 48 - HG2 ARG 54 far 0 81 0 - 6.6-9.3 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 5 assignments used, quality = 1.00: * HB2 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 39 - HG2 ARG 54 far 0 89 0 - 8.3-14.0 HB2 LEU 57 - HG2 ARG 54 far 0 100 0 - 8.6-11.0 HB2 PRO 34 - HG2 ARG 54 far 0 93 0 - 8.8-12.2 HG2 PRO 34 - HG2 ARG 54 far 0 99 0 - 9.1-11.3 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 = 1.00: * HB3 ARG 54 + HG2 ARG 54 OK 99 100 100 99 2.3-3.0 3.0=85, 3.0/2324=32...(23) 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 - 8.3-12.7 HG LEU 62 - HG2 ARG 54 far 0 87 0 - 9.5-12.6 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): 2 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 OK 61 63 100 98 2.3-3.0 3.0=73, 3.0/2324=28...(22) HB3 LEU 51 - HG2 ARG 54 far 0 76 0 - 4.9-7.5 HG2 LYS 39 - HG2 ARG 54 far 0 63 0 - 8.3-12.7 HD3 LYS 39 - HG2 ARG 54 far 0 99 0 - 9.0-12.3 HD2 LYS 39 - HG2 ARG 54 far 0 99 0 - 9.2-12.0 HG LEU 62 - HG2 ARG 54 far 0 97 0 - 9.5-12.6 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 2.3-3.0 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 2.3-3.0 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; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.3-3.7 678/1.8=74, 676/3.0=72...(17) H LEU 51 + HG3 ARG 54 OK 33 100 35 95 4.4-6.3 3.0/4572=37, ~4570=31...(14) HD21 ASN 80 - HG3 ARG 84 far 0 69 0 - 6.2-16.8 HD21 ASN 80 - HG2 ARG 84 far 0 69 0 - 6.5-16.3 H ARG 54 - HG LEU 62 far 0 90 0 - 6.7-8.9 H LEU 51 - HG LEU 62 far 0 90 0 - 8.1-9.6 H LEU 51 - HG3 ARG 84 far 0 81 0 - 8.8-40.5 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 2.1-3.3 3.7=93, 2324/1.8=72...(26) HA PHE 48 - HG3 ARG 54 far 0 81 0 - 7.2-9.6 HA PHE 48 - HG LEU 62 far 0 67 0 - 8.4-9.8 HA ARG 54 - HG LEU 62 far 0 90 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (1.76, 1.58, 27.15 ppm; 2.61 A): 2 out of 15 assignments used, quality = 0.99: * HB2 ARG 54 + HG3 ARG 54 OK 96 100 100 96 2.3-3.0 3.0=69, 3.0/2332=27...(24) HB2 LEU 62 + HG LEU 62 OK 69 71 100 97 2.7-2.9 3.0=68, 1.8/3523=23...(23) HB2 LEU 57 - HG LEU 62 poor 16 90 25 72 3.2-4.3 4982=26, 1.8/4983=17...(10) HB2 LYS 83 - HG3 ARG 84 far 3 68 5 - 2.2-7.7 HB2 LYS 83 - HG2 ARG 84 far 0 68 0 - 3.8-7.1 HB3 ARG 82 - HG3 ARG 84 far 0 81 0 - 4.4-9.6 HB3 ARG 82 - HG2 ARG 84 far 0 81 0 - 5.2-9.8 HB2 LYS 83 - HG LEU 86 far 0 57 0 - 6.2-14.6 HB2 LEU 62 - HG LEU 86 far 0 53 0 - 7.6-43.6 HG2 PRO 34 - HG LEU 62 far 0 88 0 - 8.4-9.8 HB2 ARG 54 - HG LEU 62 far 0 90 0 - 8.6-10.4 HB2 LEU 57 - HG3 ARG 54 far 0 100 0 - 8.7-10.4 HB2 PRO 34 - HG3 ARG 54 far 0 93 0 - 8.8-12.4 HB3 LYS 39 - HG3 ARG 54 far 0 89 0 - 9.3-13.9 HG2 PRO 34 - HG3 ARG 54 far 0 99 0 - 9.5-11.4 Violated in 1 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 9 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 95 78 2.0-4.0 5004/2.1=19, ~4680=14...(16) HB2 LEU 51 - HG3 ARG 54 far 0 92 0 - 5.2-7.0 QG2 THR 58 - HG LEU 62 far 0 88 0 - 7.0-7.6 HB2 LEU 51 - HG LEU 62 far 0 78 0 - 7.6-9.7 HB2 LEU 52 - HG3 ARG 54 far 0 60 0 - 7.6-9.3 HB2 LEU 52 - HG2 ARG 84 far 0 42 0 - 9.5-37.8 HG2 ARG 54 - HG LEU 62 far 0 90 0 - 9.5-12.6 HB2 LEU 52 - HG LEU 86 far 0 35 0 - 9.7-47.0 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 2.3-3.0 3.0=100 HD3 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 TYR 81 - HG2 ARG 84 far 8 80 10 - 4.3-11.9 HB2 TYR 81 - HG3 ARG 84 far 4 80 5 - 4.2-12.6 HD3 ARG 54 - HG LEU 62 far 0 90 0 - 9.6-13.1 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 2.4-3.0 3.0=100 HD2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 81 - HG2 ARG 84 far 8 80 10 - 4.3-11.9 HB2 TYR 81 - HG3 ARG 84 far 4 80 5 - 4.2-12.6 HD3 ARG 54 - HG LEU 62 far 0 90 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (7.53, 3.03, 43.51 ppm; 4.71 A): 4 out of 4 assignments used, quality = 1.00: H ARG 54 + HD3 ARG 54 OK 100 100 100 100 3.5-5.3 676/3.6=81, 678/3.0=78...(19) * H ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.8-5.4 676/3.6=81, 678/3.0=78...(19) H LEU 51 + HD2 ARG 54 OK 62 100 65 96 3.0-6.4 3.0/4571=39, ~4570=35...(11) H LEU 51 + HD3 ARG 54 OK 53 100 55 97 3.2-7.1 3.0/4571=37, ~4570=35...(11) Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 54 + HD3 ARG 54 OK 100 100 100 100 3.3-4.7 2332/3.0=71, 2324/3.0=70...(27) * HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.8-4.8 2332/3.0=71, 2324/3.0=70...(27) HA PHE 48 - HD3 ARG 54 far 0 81 0 - 5.7-10.0 HA PHE 48 - HD2 ARG 54 far 0 81 0 - 6.1-9.2 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 11 assignments used, quality = 1.00: * HB2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.2-3.9 3.6=100 HB2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.8 3.6=100 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 8.0-12.4 HB3 LYS 39 - HD3 ARG 54 far 0 89 0 - 8.5-12.7 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 9.1-13.3 HB2 LEU 57 - HD3 ARG 54 far 0 100 0 - 9.1-11.7 HB2 LEU 57 - HD2 ARG 54 far 0 100 0 - 9.3-12.6 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 9.4-11.6 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 9.5-12.5 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 9.6-12.5 HB2 LYS 13 - HD2 ARG 54 far 0 73 0 - 9.9-35.1 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 7 assignments used, quality = 1.00: HB3 ARG 54 + HD3 ARG 54 OK 99 100 100 99 2.3-3.6 3.6=71, 2326/3.0=36...(22) * HB3 ARG 54 + HD2 ARG 54 OK 99 100 100 99 2.3-3.8 3.6=71, 2326/3.0=36...(22) HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 8.0-12.5 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 8.7-12.5 HG LEU 62 - HD3 ARG 54 far 0 87 0 - 9.6-13.1 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 8 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 2.3-3.0 3.0=100 HB2 LEU 51 - HD3 ARG 54 poor 18 92 20 - 3.5-6.9 HB2 LEU 51 - HD2 ARG 54 far 9 92 10 - 3.4-7.6 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 7.8-10.6 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 7.9-10.5 QB ALA 12 - HD2 ARG 54 far 0 68 0 - 8.7-31.3 QB ALA 12 - HD3 ARG 54 far 0 68 0 - 9.5-31.5 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 13 assignments used, quality = 1.00: * HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 61 63 100 98 2.3-3.6 3.6=64, 2328/3.0=22...(22) HB3 ARG 54 + HD2 ARG 54 OK 61 63 100 97 2.3-3.8 3.6=64, 2328/3.0=22...(21) HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 4.4-8.0 HB3 LEU 51 - HD2 ARG 54 far 0 76 0 - 4.4-7.4 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.2-10.7 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.7-11.4 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.9-12.0 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 8.0-12.5 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 8.7-12.2 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 8.7-12.5 HG LEU 62 - HD3 ARG 54 far 0 97 0 - 9.6-13.1 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; 4.71 A): 4 out of 4 assignments used, quality = 1.00: * H ARG 54 + HD3 ARG 54 OK 100 100 100 100 3.5-5.3 676/3.6=81, 678/3.0=78...(19) H ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.8-5.4 676/3.6=81, 678/3.0=78...(19) H LEU 51 + HD2 ARG 54 OK 62 100 65 96 3.0-6.4 3.0/4571=39, ~4570=35...(11) H LEU 51 + HD3 ARG 54 OK 53 100 55 97 3.2-7.1 3.0/4571=37, ~4570=35...(11) Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 54 + HD3 ARG 54 OK 100 100 100 100 3.3-4.7 2332/3.0=71, 2324/3.0=70...(27) HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.8-4.8 2332/3.0=71, 2324/3.0=70...(27) HA PHE 48 - HD3 ARG 54 far 0 81 0 - 5.7-10.0 HA PHE 48 - HD2 ARG 54 far 0 81 0 - 6.1-9.2 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 11 assignments used, quality = 1.00: * HB2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.8 3.6=100 HB2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.2-3.9 3.6=100 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 8.0-12.4 HB3 LYS 39 - HD3 ARG 54 far 0 89 0 - 8.5-12.7 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 9.1-13.3 HB2 LEU 57 - HD3 ARG 54 far 0 100 0 - 9.1-11.7 HB2 LEU 57 - HD2 ARG 54 far 0 100 0 - 9.3-12.6 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 9.4-11.6 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 9.5-12.5 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 9.6-12.5 HB2 LYS 13 - HD2 ARG 54 far 0 73 0 - 9.9-35.1 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 7 assignments used, quality = 1.00: * HB3 ARG 54 + HD3 ARG 54 OK 99 100 100 99 2.3-3.6 3.6=71, 2326/3.0=36...(22) HB3 ARG 54 + HD2 ARG 54 OK 99 100 100 99 2.3-3.8 3.6=71, 2326/3.0=36...(22) HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.3-3.0 3.0=100 HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 8.0-12.5 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 8.7-12.5 HG LEU 62 - HD3 ARG 54 far 0 87 0 - 9.6-13.1 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 8 assignments used, quality = 1.00: * HG2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.3-3.0 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 poor 18 92 20 - 3.5-6.9 HB2 LEU 51 - HD2 ARG 54 far 9 92 10 - 3.4-7.6 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 7.8-10.6 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 7.9-10.5 QB ALA 12 - HD2 ARG 54 far 0 68 0 - 8.7-31.3 QB ALA 12 - HD3 ARG 54 far 0 68 0 - 9.5-31.5 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 13 assignments used, quality = 1.00: * HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 61 63 100 98 2.3-3.6 3.6=64, 2328/3.0=22...(22) HB3 ARG 54 + HD2 ARG 54 OK 61 63 100 97 2.3-3.8 3.6=64, 2328/3.0=22...(21) HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 4.4-8.0 HB3 LEU 51 - HD2 ARG 54 far 0 76 0 - 4.4-7.4 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.2-10.7 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.7-11.4 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.9-12.0 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 8.0-12.5 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 8.7-12.2 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 8.7-12.5 HG LEU 62 - HD3 ARG 54 far 0 97 0 - 9.6-13.1 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 2.3-2.6 3.0=100 HB3 PHE 35 - HA TYR 55 far 0 60 0 - 7.4-8.6 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 2.6-3.1 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 2.3-3.0 3.8=100 H GLN 61 - HB2 TYR 55 far 0 99 0 - 9.0-10.0 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 - 5.5-7.1 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 2.3-2.6 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 3.6-3.9 3.8=100 H GLN 61 - HB3 TYR 55 far 0 99 0 - 8.9-10.8 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 2.3-2.6 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 4.4-4.5 4.4=100 HE22 GLN 61 - HB3 TYR 55 far 9 92 10 - 5.8-8.3 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 2.3-2.6 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 2 assignments used, quality = 1.00: * H TYR 55 + QD TYR 55 OK 100 100 100 100 2.0-3.4 4.4=100 H GLN 61 - QD TYR 55 far 0 99 0 - 9.7-10.5 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 2.6-3.1 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 2.3-2.6 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 4 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.6 2.5=100 HB3 PHE 35 + QD TYR 55 OK 60 60 100 100 3.8-5.4 2.6/4629=86, 4.5/4628=61...(13) HE3 LYS 32 - QD TYR 55 far 0 92 0 - 9.5-13.4 HE2 LYS 32 - QD TYR 55 far 0 93 0 - 9.6-13.7 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 3 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 - 6.3-8.5 QE TYR 81 - QD TYR 55 far 0 60 0 - 9.9-27.8 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): 3 out of 4 assignments used, quality = 1.00: HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 ! HB2 PRO 56 - HD2 PRO 56 far 5 100 5 - 3.9-4.0 Violated in 0 structures by 0.00 A. Peak 2381 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.10 A): 4 out of 7 assignments used, quality = 1.00: HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 * HB3 PRO 56 + HD2 PRO 56 OK 95 100 95 100 3.9-4.0 3.0=100 HB VAL 90 - HD3 PRO 56 far 0 95 0 - 8.3-60.5 HB3 GLN 91 - HD3 PRO 56 far 0 98 0 - 9.0-64.6 HB VAL 90 - HD2 PRO 56 far 0 95 0 - 9.7-60.1 Violated in 0 structures by 0.00 A. Peak 2382 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.10 A): 4 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.9 3.0=100 HB3 PRO 56 + HD2 PRO 56 OK 94 99 95 100 3.9-4.0 3.0=100 HB VAL 90 - HD3 PRO 56 far 0 85 0 - 8.3-60.5 HB3 GLN 91 - HD3 PRO 56 far 0 100 0 - 9.0-64.6 HB VAL 90 - HD2 PRO 56 far 0 85 0 - 9.7-60.1 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 3 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 - HD2 PRO 56 far 5 100 5 - 3.9-4.0 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): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 56 - HD2 PRO 56 far 5 100 5 - 3.9-4.0 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.10 A): 4 out of 7 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 95 100 95 100 3.9-4.0 3.0=100 HB VAL 90 - HD3 PRO 56 far 0 95 0 - 8.3-60.5 HB3 GLN 91 - HD3 PRO 56 far 0 98 0 - 9.0-64.6 HB VAL 90 - HD2 PRO 56 far 0 95 0 - 9.7-60.1 Violated in 0 structures by 0.00 A. Peak 2389 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.10 A): 4 out of 7 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.9 3.0=100 HB3 PRO 56 + HD2 PRO 56 OK 94 99 95 100 3.9-4.0 3.0=100 HB VAL 90 - HD3 PRO 56 far 0 85 0 - 8.3-60.5 HB3 GLN 91 - HD3 PRO 56 far 0 100 0 - 9.0-64.6 HB VAL 90 - HD2 PRO 56 far 0 85 0 - 9.7-60.1 Violated in 0 structures by 0.00 A. Peak 2390 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 3 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 PRO 56 - HD2 PRO 56 far 5 100 5 - 3.9-4.0 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 2.3-2.7 2.3=100 HG3 PRO 56 - HA PRO 56 far 5 100 5 - 3.9-4.0 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (2.03, 4.67, 61.99 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 56 + HA PRO 56 OK 74 99 100 74 3.9-4.0 3.8=60, 220/218=22, 5292/4.8=18 HB VAL 90 - HA PRO 56 far 0 95 0 - 7.5-58.3 HB3 GLN 91 - HA PRO 56 far 0 98 0 - 7.6-63.4 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (2.04, 4.67, 61.99 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: HB3 PRO 56 + HA PRO 56 OK 99 99 100 100 2.3-2.7 2.3=100 * HG2 PRO 56 + HA PRO 56 OK 74 100 100 74 3.9-4.0 3.8=60, 220/218=22, 5292/4.8=19 HB VAL 90 - HA PRO 56 far 0 85 0 - 7.5-58.3 HB3 GLN 91 - HA PRO 56 far 0 100 0 - 7.6-63.4 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 2.3-2.7 2.3=100 ! HG3 PRO 56 - HA PRO 56 far 5 100 5 - 3.9-4.0 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 2.3-2.7 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 4 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 GLN 91 - HB2 PRO 56 far 0 98 0 - 8.0-64.6 HB VAL 90 - HB2 PRO 56 far 0 95 0 - 9.6-60.3 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 4 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 HB3 GLN 91 - HB2 PRO 56 far 0 100 0 - 8.0-64.6 HB VAL 90 - HB2 PRO 56 far 0 85 0 - 9.6-60.3 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 3.0-3.9 3.0=100 * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-4.0 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 3.0-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-4.0 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 2.3-2.7 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 7 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 - 7.8-12.8 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 8.0-12.4 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.0-13.8 HG3 PRO 36 - HB2 GLU 25 far 0 54 0 - 9.0-14.0 HB3 MET 31 - HB3 GLU 25 far 0 42 0 - 9.6-12.8 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 7 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 - 7.8-12.8 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 8.0-12.4 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.0-13.8 HG3 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.0-14.0 HB3 MET 31 - HB3 GLU 25 far 0 39 0 - 9.6-12.8 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 3.0-3.9 3.0=100 * HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-4.0 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 3.0-3.9 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-4.0 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 3.9-4.0 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 3 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 HB3 MET 31 - HG2 PRO 56 far 0 87 0 - 10.0-12.5 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 3 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 HB3 MET 31 - HG2 PRO 56 far 0 83 0 - 10.0-12.5 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 2.3-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 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 2.3-2.7 2.3=100 * HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-3.0 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 3.9-4.0 3.8=100 HA ASN 42 - HG2 PRO 36 far 0 72 0 - 8.8-9.7 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 10 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 - 5.0-19.0 HB3 GLU 19 - HG2 PRO 36 far 0 72 0 - 5.9-19.6 HB3 GLU 25 - HG3 PRO 36 far 0 49 0 - 7.8-12.8 HB3 GLU 25 - HG2 PRO 36 far 0 50 0 - 8.0-12.4 HB3 GLN 91 - HG3 PRO 56 far 0 98 0 - 8.6-66.0 HB2 GLU 25 - HG2 PRO 36 far 0 51 0 - 9.0-13.8 HB2 GLU 25 - HG3 PRO 36 far 0 51 0 - 9.0-14.0 HB VAL 90 - HG3 PRO 56 far 0 95 0 - 9.7-61.9 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 10 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 - 5.0-19.0 HB3 GLU 19 - HG2 PRO 36 far 0 75 0 - 5.9-19.6 HB3 GLU 25 - HG3 PRO 36 far 0 60 0 - 7.8-12.8 HB3 GLU 25 - HG2 PRO 36 far 0 60 0 - 8.0-12.4 HB3 GLN 91 - HG3 PRO 56 far 0 100 0 - 8.6-66.0 HB2 GLU 25 - HG2 PRO 36 far 0 62 0 - 9.0-13.8 HB2 GLU 25 - HG3 PRO 36 far 0 61 0 - 9.0-14.0 HB VAL 90 - HG3 PRO 56 far 0 85 0 - 9.7-61.9 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: * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-3.0 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: HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.7 2.3=100 * HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-3.0 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 2.4-2.5 3.0=100 HG12 ILE 33 - HA LEU 57 far 0 73 0 - 7.5-8.9 HB3 LEU 52 - HA LEU 57 far 0 100 0 - 8.1-9.3 QB ALA 63 - HA LEU 57 far 0 87 0 - 8.2-8.6 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 2.5-2.7 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 - 6.7-7.2 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 5 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 - 5.1-6.3 QB ALA 63 - HB2 LEU 57 far 0 87 0 - 8.0-8.4 HG12 ILE 33 - HB2 LEU 57 far 0 73 0 - 8.9-9.9 HG13 ILE 89 - HB2 LEU 57 far 0 60 0 - 9.0-53.9 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 2.4-2.6 3.0=100 HB2 LEU 64 - HB2 LEU 57 far 0 89 0 - 8.2-9.4 HB3 ARG 66 - HB2 LEU 57 far 0 95 0 - 8.9-10.7 HB2 MET 31 - HB2 LEU 57 far 0 85 0 - 9.9-11.3 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 3.2-3.2 3.1=100 QD1 ILE 33 - HB2 LEU 57 far 0 100 0 - 5.6-6.4 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 2.1-2.4 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 2.4-2.5 3.0=100 HB THR 58 - HB3 LEU 57 far 0 100 0 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (1.77, 1.47, 44.00 ppm; 3.31 A): 2 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 OK 66 83 85 94 3.4-4.8 3.1/4599=30, 3.0/4983=28...(19) HG2 PRO 34 - HB3 LEU 57 far 0 99 0 - 5.5-6.2 HB2 LYS 32 - HB3 LEU 57 far 0 99 0 - 7.5-10.9 HB2 PRO 34 - HB3 LEU 57 far 0 95 0 - 7.8-8.4 HB ILE 33 - HB3 LEU 57 far 0 100 0 - 8.4-9.1 HB2 ARG 54 - HB3 LEU 57 far 0 100 0 - 8.5-9.9 HB3 LYS 32 - HB3 LEU 57 far 0 99 0 - 8.9-11.6 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 - 6.6-7.9 HB2 MET 31 - HB3 LEU 57 far 0 85 0 - 8.2-9.7 HB3 ARG 66 - HB3 LEU 57 far 0 95 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (0.71, 1.47, 44.00 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.1-2.4 3.1=100 QD1 ILE 33 + HB3 LEU 57 OK 75 100 85 88 4.4-5.2 4221/3.1=46, ~4612=25...(12) 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 2.2-2.6 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 2.0-2.9 692=100, 693/2.1=74...(9) 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 3.0-3.2 3.7=100 HB THR 58 - HG LEU 57 far 0 100 0 - 8.4-8.6 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 9 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.4-2.6 3.0=100 HG2 PRO 34 + HG LEU 57 OK 95 99 100 96 3.3-4.1 ~4603=39, ~4605=36...(14) HB2 PRO 34 - HG LEU 57 far 0 95 0 - 5.2-5.9 HB2 ARG 54 - HG LEU 57 far 0 100 0 - 5.8-7.1 HB2 LEU 62 - HG LEU 57 far 0 83 0 - 6.2-7.6 HB2 LYS 32 - HG LEU 57 far 0 99 0 - 7.4-10.9 HB ILE 33 - HG LEU 57 far 0 100 0 - 7.8-8.5 HB3 LYS 32 - HG LEU 57 far 0 99 0 - 8.4-10.7 HB3 LYS 39 - HG LEU 57 far 0 90 0 - 8.6-12.6 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 - 5.9-7.5 HG12 ILE 33 - HG LEU 57 far 0 73 0 - 7.9-8.7 QB ALA 63 - HG LEU 57 far 0 87 0 - 9.2-9.6 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 - 4.8-5.6 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 3.1-3.9 693=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 1.9-2.4 4.0=59, 3.0/693=47...(13) HB THR 58 - QD2 LEU 57 far 0 100 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (1.77, 0.71, 23.03 ppm; 3.66 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 57 + QD2 LEU 57 OK 100 100 100 100 3.2-3.2 3.1=100 HG2 PRO 34 + QD2 LEU 57 OK 98 99 100 99 2.0-3.0 2.3/4603=55, 2.3/4605=49...(18) HB2 PRO 34 + QD2 LEU 57 OK 58 95 65 95 4.1-4.8 3.0/4603=48, 3.0/4605=43...(13) HB2 LYS 32 - QD2 LEU 57 far 5 99 5 - 4.4-7.5 HB ILE 33 - QD2 LEU 57 far 0 100 0 - 4.9-5.3 HB2 LEU 62 - QD2 LEU 57 far 0 83 0 - 4.9-6.1 HB3 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.3-7.5 HB2 ARG 54 - QD2 LEU 57 far 0 100 0 - 6.3-7.9 HB3 LYS 39 - QD2 LEU 57 far 0 90 0 - 7.2-11.1 HB2 LYS 13 - QD2 LEU 57 far 0 76 0 - 9.5-23.0 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 5 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.4 3.1=100 HG12 ILE 33 - QD2 LEU 57 far 0 73 0 - 4.8-5.4 HB3 LEU 52 - QD2 LEU 57 far 0 100 0 - 6.5-7.7 QB ALA 63 - QD2 LEU 57 far 0 87 0 - 6.8-7.2 QB ALA 30 - QD2 LEU 57 far 0 76 0 - 8.4-9.5 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 LEU 64 - QD2 LEU 57 far 0 89 0 - 5.4-6.7 HB2 MET 31 - QD2 LEU 57 far 0 85 0 - 5.7-6.8 HB3 ARG 66 - QD2 LEU 57 far 0 95 0 - 8.3-9.6 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 3.4-3.9 694=100, 692/2.1=99...(9) 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 3.8-3.9 4.0=100 HB THR 58 - QD1 LEU 57 far 0 100 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.77, 1.00, 27.02 ppm; 3.63 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.1-2.4 3.1=100 HG2 PRO 34 + QD1 LEU 57 OK 80 99 85 95 4.0-5.1 ~4603=33, ~4605=31...(15) HB2 LEU 62 - QD1 LEU 57 far 8 83 10 - 4.4-5.5 HB2 ARG 54 - QD1 LEU 57 far 0 100 0 - 5.1-6.1 HB2 PRO 34 - QD1 LEU 57 far 0 95 0 - 5.4-6.2 HB ILE 33 - QD1 LEU 57 far 0 100 0 - 5.6-6.7 HB3 LYS 39 - QD1 LEU 57 far 0 90 0 - 6.0-9.5 HB2 LYS 32 - QD1 LEU 57 far 0 99 0 - 6.6-10.0 HB3 LYS 32 - QD1 LEU 57 far 0 99 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.47, 1.00, 27.02 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.2-2.6 3.1=100 HB3 LEU 52 + QD1 LEU 57 OK 89 100 90 99 3.9-5.3 3.1/4613=58, 1.8/4986=58...(12) HG12 ILE 33 - QD1 LEU 57 far 0 73 0 - 5.5-6.8 QB ALA 63 - QD1 LEU 57 far 0 87 0 - 6.5-7.2 HG13 ILE 89 - QD1 LEU 57 far 0 60 0 - 9.5-44.0 QB ALA 30 - QD1 LEU 57 far 0 76 0 - 9.7-11.0 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 - 5.6-7.3 HB3 ARG 66 - QD1 LEU 57 far 0 95 0 - 6.8-8.2 HB2 MET 31 - QD1 LEU 57 far 0 85 0 - 7.0-8.4 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 92 100 100 92 2.9-4.1 4221=49, 3.2/4614=24...(16) 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 2.9-2.9 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 2.3-2.7 3.0=100 HA LEU 57 - HA THR 58 far 0 100 0 - 4.4-4.4 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 3 assignments used, quality = 1.00: * QG2 THR 58 + HA THR 58 OK 100 100 100 100 2.1-2.5 3.2=98, 2478/3.0=50...(8) HB2 LEU 52 - HA THR 58 far 0 76 0 - 7.2-8.5 HG3 LYS 32 - HA THR 58 far 0 90 0 - 9.4-15.3 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 2.3-2.7 3.0=100 HA MET 31 - HB THR 58 far 0 96 0 - 8.6-12.1 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 4 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 - 8.2-14.9 HB2 LEU 52 - HB THR 58 far 0 76 0 - 9.3-10.6 HG2 LYS 32 - HB THR 58 far 0 60 0 - 9.9-15.2 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 2.1-3.2 698=99, 3.0/2473=52...(10) 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 2.1-2.5 3.2=100 HA MET 31 - QG2 THR 58 far 0 96 0 - 6.3-10.2 Violated in 0 structures by 0.00 A. Peak 2480 from cnoeabs.peaks (4.76, 1.31, 21.61 ppm; 3.00 A): 2 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 OK 24 100 40 60 3.4-4.5 3.6/2478=36, 4.7/2473=23...(4) 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 2.8-2.9 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 3 assignments used, quality = 1.00: * HB2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 MET 31 - HA GLU 59 far 0 81 0 - 9.2-12.5 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 3 assignments used, quality = 1.00: HB2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 * HB3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 MET 31 - HA GLU 59 far 0 81 0 - 9.2-12.5 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 2.1-4.1 2501=94, 1.8/2507=75...(10) HB VAL 65 - HA GLU 59 far 0 97 0 - 7.6-8.6 Violated in 1 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 2.0-3.8 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 2.1-3.6 4.0=80, 703/3.0=54...(11) H GLU 59 + HB3 GLU 59 OK 99 100 100 99 2.3-3.5 4.0=80, 703/3.0=54...(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 + HB2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.5-2.9 3.0=100 HA ALA 63 - HB3 GLU 59 far 0 89 0 - 6.7-8.8 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 6.7-8.7 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 4 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 2.2-3.0 3.0=100 HB VAL 65 - HB2 GLU 59 far 0 97 0 - 9.5-11.4 HB VAL 65 - HB3 GLU 59 far 0 97 0 - 9.9-11.1 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 + HB2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 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 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 2.1-3.6 4.0=80, 703/3.0=54...(11) * H GLU 59 + HB3 GLU 59 OK 99 100 100 99 2.3-3.5 4.0=80, 703/3.0=54...(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 + HB2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 * HA GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.5-2.9 3.0=100 HA ALA 63 - HB3 GLU 59 far 0 89 0 - 6.7-8.8 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 6.7-8.7 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 4 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 2.2-3.0 3.0=100 HB VAL 65 - HB2 GLU 59 far 0 97 0 - 9.5-11.4 HB VAL 65 - HB3 GLU 59 far 0 97 0 - 9.9-11.1 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 + HB2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 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 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 2.6-3.9 703=100, 704/1.8=86...(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 4 assignments used, quality = 1.00: * HA GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.1-4.1 2486=100, 2507/1.8=77...(11) HA ALA 63 - HG2 GLU 59 far 0 89 0 - 6.2-9.8 HA PHE 48 - HG2 GLU 50 far 0 51 0 - 7.3-8.4 HD2 PRO 44 - HG2 GLU 50 far 0 60 0 - 8.7-11.5 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 2.2-3.0 3.0=100 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 8.3-10.6 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 9.7-15.6 HB VAL 45 - HG2 GLU 50 far 0 36 0 - 9.9-11.8 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 2.2-3.0 3.0=100 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 8.3-10.6 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 9.7-15.6 HB VAL 45 - HG2 GLU 50 far 0 36 0 - 9.9-11.8 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 2.5-4.0 704=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 2.0-3.8 2487=97, 2486/1.8=77...(10) HA ARG 26 - HG3 GLU 25 far 7 49 15 - 3.5-6.6 HA ALA 63 - HG3 GLU 59 far 0 89 0 - 6.2-8.9 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: * HB2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 6.3-14.4 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 6.4-14.7 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 8.9-14.4 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: HB2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 6.3-14.4 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 6.4-14.7 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 8.9-14.4 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 - 9.1-11.6 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 2.8-2.9 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 2.1-3.6 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 - 7.6-9.3 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.8-9.5 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 2.1-3.6 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 - 7.6-9.3 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.8-9.5 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 TYR 55 - HA GLU 50 far 0 94 0 - 6.3-6.9 H MET 31 - HA GLN 61 far 0 71 0 - 6.5-8.4 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): 2 out of 4 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 OK 34 100 35 97 3.7-6.7 3.3/5079=65...(14) HB3 ASP 46 - HA GLU 50 far 0 74 0 - 7.5-9.4 HB2 ASP 24 - HA GLN 61 far 0 63 0 - 10.0-12.6 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 HG2 ARG 27 - HA GLN 61 far 0 63 0 - 6.7-11.0 HG3 ARG 27 - HA GLN 61 far 0 65 0 - 6.8-10.9 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (2.60, 3.96, 59.26 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.6-3.8 4.0=100 HG2 MET 31 - HA GLN 61 far 7 73 10 - 3.7-6.8 HB3 ASP 47 - HA GLU 50 far 0 91 0 - 7.4-8.4 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 2.3-3.7 4.0=75, 714/3.0=50...(15) Violated in 1 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 2.2-2.7 4.0=100 H MET 31 - HB2 GLN 61 far 0 71 0 - 8.1-10.5 H TYR 55 - HB2 GLN 61 far 0 99 0 - 8.2-9.2 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 4 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 28 - HB2 GLN 61 far 0 99 0 - 7.7-9.6 HA LYS 32 - HB2 GLN 61 far 0 96 0 - 8.2-10.9 HA ARG 66 - HB2 GLN 61 far 0 96 0 - 9.8-10.6 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 3 assignments used, quality = 1.00: * HB3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 27 - HB2 GLN 61 far 0 63 0 - 9.5-13.6 HG3 ARG 27 - HB2 GLN 61 far 0 65 0 - 9.6-13.6 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 2.3-3.0 3.0=100 HG2 MET 31 - HB2 GLN 61 far 0 73 0 - 6.3-9.4 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 2.3-3.0 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 - 6.7-9.1 H TYR 55 - HB3 GLN 61 far 0 99 0 - 8.4-9.8 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 - 5.9-7.9 HA LYS 32 - HB3 GLN 61 far 0 96 0 - 7.2-9.6 HA THR 37 - HB3 GLN 61 far 0 60 0 - 9.1-10.4 HA ARG 66 - HB3 GLN 61 far 0 96 0 - 9.4-10.1 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 - 5.3-8.2 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 2.5-3.0 3.0=100 HG2 MET 31 - HB3 GLN 61 far 4 73 5 - 4.9-8.2 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 2.3-3.0 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 3 assignments used, quality = 1.00: * H GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.0-3.6 713=100, 714/1.8=86...(16) H MET 31 - HG2 GLN 61 far 0 71 0 - 7.1-9.6 H TYR 55 - HG2 GLN 61 far 0 99 0 - 8.7-11.0 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 2.6-3.8 4.0=100 HA LYS 32 - HG2 GLN 61 far 0 96 0 - 7.3-9.3 HA ALA 28 - HG2 GLN 61 far 0 99 0 - 7.6-9.4 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 2.3-3.0 3.0=100 HG3 MET 31 - HG2 GLN 61 far 0 100 0 - 6.0-8.8 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 2.5-3.0 3.0=100 HG2 ARG 27 - HG2 GLN 61 far 0 63 0 - 8.5-14.0 HG3 ARG 27 - HG2 GLN 61 far 0 65 0 - 8.7-13.2 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 2.6-4.1 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 2 assignments used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.1-4.1 3.5=100 QE TYR 55 - HG2 GLN 61 far 0 90 0 - 9.2-11.3 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 3 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-4.0 714=100, 713/1.8=98...(15) H MET 31 - HG3 GLN 61 far 4 71 5 - 5.4-9.2 H TYR 55 - HG3 GLN 61 far 0 99 0 - 9.5-11.6 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 2.3-3.7 4.0=100 HA LYS 32 - HG3 GLN 61 far 0 96 0 - 6.0-9.6 HA ALA 28 - HG3 GLN 61 far 0 99 0 - 6.3-9.2 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (2.53, 2.16, 34.98 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 31 + HG3 GLN 61 OK 43 100 45 95 4.6-7.9 4848/4224=37, ~5910=22...(14) 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 4 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 27 - HG3 GLN 61 far 0 63 0 - 7.1-12.8 HG3 ARG 27 - HG3 GLN 61 far 0 65 0 - 7.5-13.7 HG LEU 29 - HG3 GLN 61 far 0 92 0 - 9.7-13.4 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 4 73 5 - 4.2-8.4 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 2.1-4.0 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 2 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-4.1 3.5=100 QE TYR 55 - HG3 GLN 61 far 0 90 0 - 9.2-11.5 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): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 LEU 57 + HA LEU 62 OK 53 83 65 98 4.2-4.9 3.1/6069=50...(18) HG2 PRO 34 - HA LEU 62 far 0 95 0 - 8.3-9.5 HB ILE 33 - HA LEU 62 far 0 78 0 - 8.8-10.0 HB2 ARG 84 - HA LEU 62 far 0 83 0 - 9.3-37.0 HB2 LYS 32 - HA LEU 62 far 0 65 0 - 9.7-12.6 HB2 ARG 54 - HA LEU 62 far 0 85 0 - 9.9-11.6 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 6 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 62 + HA LEU 62 OK 78 78 100 100 2.1-2.2 2.1/2593=67, 2.1/2600=66...(29) HB3 LEU 51 - HA LEU 62 far 0 97 0 - 7.8-9.8 HB3 LEU 86 - HA LEU 62 far 0 71 0 - 8.8-41.4 HD3 LYS 39 - HA LEU 62 far 0 99 0 - 9.6-13.8 HG LEU 86 - HA LEU 62 far 0 97 0 - 9.9-42.8 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 5 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.1-2.2 2.1/2593=66, 2.1/2600=65...(32) HB3 LEU 62 + HA LEU 62 OK 78 78 100 100 2.7-3.0 3.0=100 HG LEU 64 - HA LEU 62 far 0 68 0 - 4.7-7.4 HB3 LEU 86 - HA LEU 62 far 0 100 0 - 8.8-41.4 HD3 LYS 39 - HA LEU 62 far 0 90 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 2569 from cnoeabs.peaks (0.93, 3.92, 57.93 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 3.0-3.4 2593=100, 2.1/2600=67...(38) QD1 LEU 64 - HA LEU 62 far 0 71 0 - 5.9-7.7 QG2 ILE 40 - HA LEU 62 far 0 100 0 - 6.4-7.1 HG12 ILE 68 - HA LEU 62 far 0 98 0 - 9.3-10.5 QG2 VAL 41 - HA LEU 62 far 0 100 0 - 10.0-10.9 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 3 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 100 100 100 100 3.2-3.6 2600=100, 2.1/2593=80...(27) HG LEU 51 - HA LEU 62 far 0 87 0 - 6.8-9.4 QD1 LEU 86 - HA LEU 62 far 0 93 0 - 7.4-36.1 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 2.1-2.1 719=100, 2578/1.8=68...(18) 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 2.7-2.9 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): 2 out of 6 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 OK 76 78 100 97 2.7-2.9 3.0=68, 2.1/2601=25...(23) HB3 LEU 86 - HB2 LEU 62 far 0 71 0 - 6.8-42.2 HG LEU 86 - HB2 LEU 62 far 0 97 0 - 7.6-43.6 HB2 LEU 86 - HB2 LEU 62 far 0 68 0 - 8.4-42.2 HB3 LEU 51 - HB2 LEU 62 far 0 97 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (1.57, 1.75, 41.88 ppm; 2.57 A): 2 out of 4 assignments used, quality = 0.99: * HG LEU 62 + HB2 LEU 62 OK 97 100 100 97 2.7-2.9 3.0=65, 2.1/2601=24...(23) HB3 LEU 62 + HB2 LEU 62 OK 78 78 100 100 1.8-1.8 1.8=100 HG LEU 64 - HB2 LEU 62 far 0 68 0 - 6.8-9.3 HB3 LEU 86 - HB2 LEU 62 far 0 100 0 - 6.8-42.2 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 2.8-3.1 3.1=100 QD1 LEU 64 - HB2 LEU 62 far 0 71 0 - 7.7-8.9 QG2 ILE 40 - HB2 LEU 62 far 0 100 0 - 8.6-9.5 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 3 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 1.9-2.1 3.1=100 QD1 LEU 86 - HB2 LEU 62 far 0 93 0 - 5.7-36.9 HG LEU 51 - HB2 LEU 62 far 0 87 0 - 8.7-11.6 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 3 assignments used, quality = 1.00: * H LEU 62 + HB3 LEU 62 OK 100 100 100 100 3.0-3.4 719/1.8=88, 4.0=81...(17) H THR 37 - HB3 LEU 29 far 0 96 0 - 6.8-9.6 H LEU 62 - HB3 LEU 86 far 0 60 0 - 8.8-41.2 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 7 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.7-3.0 3.0=100 HA2 GLY 18 - HB3 LEU 29 far 15 98 15 - 3.5-19.1 HA3 GLY 18 - HB3 LEU 29 lone 0 98 30 1 2.9-19.3 HA2 GLY 21 - HB3 LEU 29 far 0 60 0 - 7.4-13.8 HA3 GLY 21 - HB3 LEU 29 far 0 62 0 - 8.1-13.3 HA THR 37 - HB3 LEU 29 far 0 93 0 - 8.6-11.2 HA LEU 62 - HB3 LEU 86 far 0 60 0 - 8.8-41.4 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 17 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB2 LEU 86 far 0 41 0 - 5.0-9.1 HB2 ARG 84 - HB3 LEU 86 far 0 43 0 - 5.1-10.4 HB3 ARG 17 - HB3 LEU 29 far 0 98 0 - 5.3-19.1 HB3 LYS 85 - HB2 LEU 86 far 0 35 0 - 5.5-7.5 HB2 LEU 57 - HB3 LEU 62 far 0 83 0 - 5.6-6.4 HB ILE 33 - HB3 LEU 29 far 0 75 0 - 5.6-8.3 HB3 LYS 85 - HB3 LEU 86 far 0 37 0 - 6.1-7.2 HG3 ARG 26 - HB3 LEU 29 far 0 99 0 - 6.6-8.9 HB2 LEU 62 - HB3 LEU 86 far 0 60 0 - 6.8-42.2 HB2 ARG 84 - HB3 LEU 62 far 0 83 0 - 7.2-37.3 HB2 LYS 32 - HB3 LEU 29 far 0 62 0 - 7.3-9.2 HB3 LYS 32 - HB3 LEU 29 far 0 62 0 - 7.5-8.8 HB3 LYS 83 - HB3 LEU 86 far 0 29 0 - 7.6-13.0 HB2 LEU 62 - HB2 LEU 86 far 0 58 0 - 8.4-42.2 HB3 LYS 83 - HB2 LEU 86 far 0 28 0 - 8.5-13.5 HB3 ARG 82 - HB2 LEU 86 far 0 43 0 - 9.9-16.4 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 7 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.0-2.1 3.1=100 QD2 LEU 62 - HB3 LEU 86 far 0 60 0 - 4.6-35.0 QD2 LEU 62 - HB2 LEU 86 far 0 58 0 - 5.5-34.0 QD1 LEU 64 - HB3 LEU 62 far 0 71 0 - 7.7-8.7 QD1 LEU 64 - HB3 LEU 29 far 0 68 0 - 7.7-9.1 QG2 ILE 40 - HB3 LEU 62 far 0 100 0 - 7.8-9.0 HG12 ILE 68 - HB3 LEU 29 far 0 96 0 - 9.8-12.1 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 12 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.6-3.0 3.1=92, 2600/3.0=41...(29) QD1 LEU 29 + HB3 LEU 29 OK 97 97 100 100 2.0-2.8 3.1=92, 2.1/1500=70...(23) QD1 LEU 86 + HB3 LEU 86 OK 51 51 100 99 2.1-3.2 3.1=94, 2.1/3537=34...(23) QD1 LEU 86 + HB2 LEU 86 OK 49 49 100 99 2.0-3.2 3.1=94, ~3537=24...(21) QD1 LEU 62 - HB3 LEU 86 far 0 60 0 - 5.2-36.8 QD1 LEU 86 - HB3 LEU 62 far 0 93 0 - 5.5-35.9 QD1 LEU 62 - HB2 LEU 86 far 0 58 0 - 6.2-36.1 QG1 VAL 90 - HB2 LEU 86 far 0 32 0 - 7.5-14.8 QG2 VAL 90 - HB3 LEU 86 far 0 36 0 - 8.0-13.5 QG1 VAL 90 - HB3 LEU 86 far 0 34 0 - 8.2-13.7 QG2 VAL 90 - HB2 LEU 86 far 0 34 0 - 8.5-13.5 HG LEU 51 - HB3 LEU 62 far 0 87 0 - 8.8-11.6 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 3.5-4.1 719/3.0=75, 723/2.1=68...(15) H LEU 62 - HG LEU 64 far 0 66 0 - 5.3-8.0 H THR 37 - HG LEU 64 far 0 62 0 - 7.8-9.8 Violated in 3 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 2.1-2.2 2593/2.1=85, 4.3=85...(32) HA LEU 62 - HG LEU 64 far 3 66 5 - 4.7-7.4 HA2 GLY 21 - HG3 ARG 23 far 0 22 0 - 5.8-10.5 HA THR 37 - HG LEU 64 far 0 59 0 - 6.0-8.0 HA3 GLY 21 - HG3 ARG 23 far 0 23 0 - 7.2-10.3 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 25 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 98 100 100 98 2.7-2.9 3.0=74, 2601/2.1=27...(23) HB2 ARG 54 + HG3 ARG 54 OK 69 71 100 97 2.3-3.0 3.0=75, 3.0/2332=23...(23) HB2 ARG 84 + HG3 ARG 84 OK 27 28 100 95 2.3-3.0 3.0=75, 3379/1.8=18...(31) HB2 ARG 84 + HG2 ARG 84 OK 27 28 100 95 2.4-3.0 3.0=75, 3379/1.8=18...(31) HB2 LEU 57 - HG LEU 62 poor 19 83 30 75 3.2-4.3 4982=24, 1.8/4983=19...(10) HG3 ARG 26 - HG3 ARG 23 far 0 43 0 - 4.2-7.5 HB3 ARG 82 - HG3 ARG 84 far 0 29 0 - 4.4-9.6 HB3 LYS 85 - HG3 ARG 84 far 0 24 0 - 4.7-8.0 HB3 ARG 82 - HG2 ARG 84 far 0 29 0 - 5.2-9.8 HB3 LYS 85 - HG2 ARG 84 far 0 24 0 - 5.4-7.6 HB ILE 33 - HG LEU 64 far 0 44 0 - 6.1-7.6 HG3 ARG 71 - HG3 ARG 23 far 0 43 0 - 6.2-15.2 HG3 ARG 71 - HG LEU 64 far 0 64 0 - 6.3-9.7 HB2 LEU 62 - HG LEU 64 far 0 66 0 - 6.8-9.3 HB2 LEU 57 - HG LEU 64 far 0 47 0 - 8.0-11.0 HG2 PRO 34 - HG LEU 62 far 0 95 0 - 8.4-9.8 HB2 ARG 54 - HG LEU 62 far 0 85 0 - 8.6-10.4 HB2 ARG 84 - HG LEU 62 far 0 83 0 - 8.6-37.5 HB2 LEU 57 - HG3 ARG 54 far 0 69 0 - 8.7-10.4 HG2 PRO 34 - HG LEU 64 far 0 57 0 - 9.3-12.1 HG2 PRO 34 - HG3 ARG 54 far 0 81 0 - 9.5-11.4 HB2 LYS 32 - HG LEU 64 far 0 36 0 - 9.5-10.7 HG3 ARG 26 - HG LEU 64 far 0 65 0 - 9.6-12.5 HB2 LEU 43 - HG3 ARG 54 far 0 65 0 - 9.8-12.4 HB3 LYS 32 - HG LEU 64 far 0 36 0 - 9.9-12.0 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): 2 out of 18 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 poor 18 62 35 82 3.6-6.6 2.1/4759=51, ~5252=22...(7) QG2 ILE 40 - HG LEU 64 far 0 66 0 - 5.3-6.4 QD2 LEU 62 - HG2 ARG 84 far 0 40 0 - 6.0-29.2 QD1 LEU 64 - HG3 ARG 23 far 0 25 0 - 6.1-10.8 HG12 ILE 68 - HG3 ARG 23 far 0 41 0 - 6.5-12.3 QD2 LEU 62 - HG3 ARG 84 far 0 40 0 - 6.5-30.6 QD2 LEU 62 - HG LEU 64 far 0 66 0 - 6.7-8.7 QG2 ILE 40 - HG LEU 62 far 0 100 0 - 6.9-8.0 QG1 VAL 76 - HG3 ARG 23 far 0 41 0 - 7.1-21.9 QD2 LEU 43 - HG3 ARG 54 far 0 78 0 - 7.5-9.6 QG2 VAL 41 - HG LEU 64 far 0 64 0 - 7.6-9.3 QD1 LEU 64 - HG LEU 62 far 0 71 0 - 7.6-9.5 QD2 LEU 62 - HG3 ARG 54 far 0 90 0 - 7.9-10.8 QG2 VAL 41 - HG3 ARG 23 far 0 43 0 - 9.0-13.5 QG2 VAL 76 - HG3 ARG 23 far 0 41 0 - 9.3-22.9 QG2 ILE 40 - HG3 ARG 54 far 0 90 0 - 9.8-12.0 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 15 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 - HG2 ARG 84 far 2 34 5 - 3.5-10.1 QD1 LEU 86 - HG3 ARG 84 far 0 34 0 - 4.5-10.1 HG LEU 51 - HG3 ARG 54 far 0 73 0 - 5.8-7.4 QD1 LEU 86 - HG LEU 62 far 0 93 0 - 6.0-37.4 HG LEU 51 - HG LEU 62 far 0 87 0 - 6.3-9.0 QD1 LEU 62 - HG LEU 64 far 0 66 0 - 7.1-9.6 QD1 LEU 62 - HG2 ARG 84 far 0 40 0 - 7.6-31.8 QD1 LEU 29 - HG3 ARG 23 far 0 42 0 - 7.8-12.4 QD1 LEU 62 - HG3 ARG 54 far 0 90 0 - 8.0-10.1 QG2 VAL 90 - HG3 ARG 54 far 0 58 0 - 8.4-51.9 QD1 LEU 62 - HG3 ARG 84 far 0 40 0 - 8.5-33.2 QG1 VAL 90 - HG3 ARG 54 far 0 56 0 - 9.2-51.9 HG LEU 51 - HG LEU 64 far 0 51 0 - 9.6-12.3 QD1 LEU 29 - HG LEU 64 far 0 64 0 - 9.6-10.4 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 4.4-4.4 722=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; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 100 100 100 100 3.0-3.4 2569=94, 2600/2.1=65...(39) Violated in 1 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (1.75, 0.93, 24.73 ppm; 3.56 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.8-3.1 3.1=100 HB2 LEU 57 - QD2 LEU 62 poor 17 83 20 - 4.3-5.6 HB2 ARG 84 - QD2 LEU 62 far 0 83 0 - 5.2-30.1 HB2 ARG 54 - QD2 LEU 62 far 0 85 0 - 7.7-9.6 HG2 PRO 34 - QD2 LEU 62 far 0 95 0 - 8.8-10.1 HB3 LYS 85 - QD2 LEU 62 far 0 73 0 - 9.5-30.5 HB2 LEU 43 - QD2 LEU 62 far 0 78 0 - 9.8-11.3 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 11 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.0-2.1 3.1=100 HG LEU 62 + QD2 LEU 62 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 86 - QD2 LEU 62 far 0 71 0 - 4.6-35.0 HB2 LEU 86 - QD2 LEU 62 far 0 68 0 - 5.5-34.0 HG LEU 86 - QD2 LEU 62 far 0 97 0 - 5.8-36.0 HG2 ARG 84 - QD2 LEU 62 far 0 100 0 - 6.0-29.2 HG3 ARG 84 - QD2 LEU 62 far 0 100 0 - 6.5-30.6 HB3 LEU 51 - QD2 LEU 62 far 0 97 0 - 6.6-8.4 HG3 ARG 70 - QD2 LEU 62 far 0 73 0 - 7.7-13.5 HG3 ARG 54 - QD2 LEU 62 far 0 96 0 - 7.9-10.8 HD3 LYS 39 - QD2 LEU 62 far 0 99 0 - 9.6-13.1 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 9 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 2.0-2.1 3.1=99 HB3 LEU 86 - QD2 LEU 62 far 0 100 0 - 4.6-35.0 HG2 ARG 84 - QD2 LEU 62 far 0 65 0 - 6.0-29.2 HG3 ARG 84 - QD2 LEU 62 far 0 65 0 - 6.5-30.6 HG LEU 64 - QD2 LEU 62 far 0 68 0 - 6.7-8.7 HG3 ARG 54 - QD2 LEU 62 far 0 97 0 - 7.9-10.8 HB3 ARG 54 - QD2 LEU 62 far 0 87 0 - 8.9-10.9 HD3 LYS 39 - QD2 LEU 62 far 0 90 0 - 9.6-13.1 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 3 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 86 - QD2 LEU 62 far 5 93 5 - 3.6-30.5 HG LEU 51 - QD2 LEU 62 far 0 87 0 - 6.3-8.7 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 3 assignments used, quality = 1.00: * H LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.7-3.9 723=100, 719/3.1=81...(15) H THR 37 - QD1 LEU 29 far 0 96 0 - 6.9-10.1 H LEU 62 - QD1 LEU 86 far 0 90 0 - 7.4-36.1 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 7 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.2-3.6 2570=72, 2593/2.1=67...(27) HA2 GLY 18 - QD1 LEU 29 far 15 99 15 - 3.6-16.3 HA3 GLY 18 - QD1 LEU 29 lone 0 98 25 1 2.1-16.6 HA3 GLY 21 - QD1 LEU 29 far 0 63 0 - 5.4-12.6 HA2 GLY 21 - QD1 LEU 29 far 0 61 0 - 5.4-12.5 HA LEU 62 - QD1 LEU 86 far 0 90 0 - 7.4-36.1 HA THR 37 - QD1 LEU 29 far 0 94 0 - 8.4-11.2 Violated in 13 structures by 0.07 A. Peak 2601 from cnoeabs.peaks (1.75, 0.87, 24.45 ppm; 3.00 A): 2 out of 18 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...(28) HB2 LEU 57 + QD1 LEU 62 OK 68 83 100 82 2.0-3.8 4982/2.1=31, ~4599=21...(13) HG3 ARG 26 - QD1 LEU 29 poor 17 99 30 57 3.0-7.3 3.7/4187=13...(14) HB3 ARG 17 - QD1 LEU 29 far 0 99 0 - 4.1-15.5 HB2 ARG 84 - QD1 LEU 86 far 0 69 0 - 5.0-8.7 HB3 LYS 85 - QD1 LEU 86 far 0 60 0 - 5.1-7.6 HB2 LEU 62 - QD1 LEU 86 far 0 90 0 - 5.7-36.9 HB3 LYS 83 - QD1 LEU 86 far 0 48 0 - 6.5-11.3 HG2 PRO 34 - QD1 LEU 62 far 0 95 0 - 6.7-9.0 HB2 LYS 32 - QD1 LEU 29 far 0 63 0 - 6.8-9.1 HB ILE 33 - QD1 LEU 29 far 0 76 0 - 6.9-8.6 HB2 ARG 84 - QD1 LEU 62 far 0 83 0 - 7.2-32.6 HB2 ARG 54 - QD1 LEU 62 far 0 85 0 - 7.4-9.2 HB3 LYS 32 - QD1 LEU 29 far 0 63 0 - 7.5-8.6 HB2 LEU 57 - QD1 LEU 86 far 0 69 0 - 7.6-39.8 HB3 ARG 82 - QD1 LEU 86 far 0 71 0 - 8.9-14.7 HB ILE 33 - QD1 LEU 62 far 0 78 0 - 9.6-11.2 HB2 LYS 32 - QD1 LEU 62 far 0 65 0 - 9.8-12.9 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 20 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.6-3.0 3.1=82, 3.0/2600=38...(24) HB3 LEU 29 + QD1 LEU 29 OK 97 97 100 100 2.0-2.8 3.1=82, 1494/2.1=66...(20) 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 98 2.1-3.2 3.1=84, 3531/2.1=26...(20) HB2 LEU 86 + QD1 LEU 86 OK 54 55 100 98 2.0-3.2 3.1=84, ~3537=22...(18) HG2 ARG 84 - QD1 LEU 86 far 4 89 5 - 3.5-10.1 HG3 ARG 84 - QD1 LEU 86 far 0 89 0 - 4.5-10.1 HB3 LEU 86 - QD1 LEU 62 far 0 71 0 - 5.2-36.8 HG LEU 86 - QD1 LEU 62 far 0 97 0 - 5.5-37.9 HB3 LEU 62 - QD1 LEU 86 far 0 90 0 - 5.5-35.9 HG LEU 62 - QD1 LEU 86 far 0 65 0 - 6.0-37.4 HB2 LEU 86 - QD1 LEU 62 far 0 68 0 - 6.2-36.1 HB3 LEU 51 - QD1 LEU 62 far 0 97 0 - 6.9-9.0 HD3 LYS 32 - QD1 LEU 29 far 0 71 0 - 7.0-9.8 HD2 LYS 32 - QD1 LEU 29 far 0 76 0 - 7.3-9.8 HG2 ARG 84 - QD1 LEU 62 far 0 100 0 - 7.6-31.8 HG3 ARG 54 - QD1 LEU 62 far 0 96 0 - 8.0-10.1 HG3 ARG 84 - QD1 LEU 62 far 0 100 0 - 8.5-33.2 HD3 LYS 39 - QD1 LEU 62 far 0 99 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 2603 from cnoeabs.peaks (1.57, 0.87, 24.45 ppm; 2.77 A): 4 out of 17 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 91 100 100 2.0-2.8 3.1=70, 1.8/1506=57...(20) HB3 LEU 86 + QD1 LEU 86 OK 87 90 100 97 2.1-3.2 3.1=72, 3537/2.1=41...(19) HB3 LEU 62 + QD1 LEU 62 OK 77 78 100 98 2.6-3.0 3.1=70, 3.0/2600=34...(22) HG2 ARG 84 - QD1 LEU 86 far 3 53 5 - 3.5-10.1 HG3 ARG 84 - QD1 LEU 86 far 0 53 0 - 4.5-10.1 HB3 LEU 86 - QD1 LEU 62 far 0 100 0 - 5.2-36.8 HB3 LEU 62 - QD1 LEU 86 far 0 65 0 - 5.5-35.9 HG LEU 62 - QD1 LEU 86 far 0 90 0 - 6.0-37.4 HG LEU 64 - QD1 LEU 62 far 0 68 0 - 7.1-9.6 HG2 ARG 84 - QD1 LEU 62 far 0 65 0 - 7.6-31.8 HG3 ARG 23 - QD1 LEU 29 far 0 69 0 - 7.8-12.4 HG3 ARG 54 - QD1 LEU 62 far 0 97 0 - 8.0-10.1 HB3 ARG 54 - QD1 LEU 62 far 0 87 0 - 8.4-10.2 HG3 ARG 84 - QD1 LEU 62 far 0 65 0 - 8.5-33.2 HD3 LYS 39 - QD1 LEU 62 far 0 90 0 - 9.5-13.4 HG LEU 64 - QD1 LEU 29 far 0 66 0 - 9.6-10.4 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 1.9-2.1 2.1=100 QD2 LEU 62 - QD1 LEU 86 far 0 90 0 - 3.6-30.5 QD1 LEU 64 - QD1 LEU 29 far 0 69 0 - 6.9-7.9 QG2 ILE 40 - QD1 LEU 62 far 0 100 0 - 7.4-8.4 QD1 LEU 64 - QD1 LEU 62 far 0 71 0 - 7.6-9.1 HG12 ILE 68 - QD1 LEU 29 far 0 96 0 - 8.4-11.1 QG2 VAL 41 - QD1 LEU 29 far 0 98 0 - 9.6-12.3 QG2 ILE 40 - QD1 LEU 29 far 0 99 0 - 9.9-11.9 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 2.8-2.9 3.0=100 H ARG 69 - HA ALA 63 far 0 100 0 - 7.9-8.6 H ARG 70 - HA ALA 63 far 0 71 0 - 8.5-10.1 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 - 7.7-8.4 HB3 LEU 52 - HA ALA 63 far 0 95 0 - 8.6-11.3 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 2.2-2.2 2.9=100 H ARG 69 - QB ALA 63 far 0 100 0 - 8.0-8.7 H ARG 70 - QB ALA 63 far 0 71 0 - 8.7-9.5 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 - 4.2-5.1 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 2.7-3.0 3.0=100 QE MET 31 - HA LEU 64 far 0 87 0 - 4.9-6.2 HB3 ARG 70 - HA LEU 64 far 0 89 0 - 7.8-11.2 HB2 ARG 70 - HA LEU 64 far 0 89 0 - 8.5-10.6 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 4 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.2-2.3 3.0=100 HG3 ARG 66 - HA LEU 64 far 0 100 0 - 4.6-8.0 HG2 ARG 70 - HA LEU 64 far 0 97 0 - 7.6-10.7 HG2 ARG 23 - HA LEU 64 far 0 65 0 - 9.1-15.2 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 3 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 2.9-3.7 2.1/2648=84, 4.3=65...(14) HG LEU 62 - HA LEU 64 far 0 68 0 - 8.3-8.9 HG3 ARG 23 - HA LEU 64 far 0 100 0 - 8.8-15.5 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 2 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 3.9-4.1 3.9=100 QD2 LEU 29 - HA LEU 64 far 0 100 0 - 9.9-11.6 Violated in 19 structures by 0.07 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 2.2-3.1 2648=100, 2.1/2616=51...(20) QG2 ILE 40 - HA LEU 64 far 0 71 0 - 6.6-7.6 QD2 LEU 62 - HA LEU 64 far 0 71 0 - 6.8-8.4 QG2 VAL 41 - HA LEU 64 far 0 83 0 - 8.7-9.8 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 2.1-2.4 730/1.8=80, 729=79...(17) 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 2.7-3.0 3.0=100 HA SER 60 - HB2 LEU 64 far 0 87 0 - 5.3-6.7 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 3 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 - 6.0-8.7 HG LEU 29 - HB2 LEU 64 far 0 76 0 - 9.9-10.9 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 3 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.5-2.8 3.0=100 HG LEU 62 - HB2 LEU 64 far 0 68 0 - 7.4-8.1 HG3 ARG 23 - HB2 LEU 64 far 0 100 0 - 9.7-16.4 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 1.9-2.2 3.1=100 QD2 LEU 29 - HB2 LEU 64 far 0 100 0 - 8.7-10.6 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 3.0-3.2 3.1=100 QG2 ILE 40 - HB2 LEU 64 far 0 71 0 - 6.7-8.4 QD2 LEU 62 - HB2 LEU 64 far 0 71 0 - 6.8-8.1 QG2 VAL 41 - HB2 LEU 64 far 0 83 0 - 9.4-10.8 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 2.7-3.5 730=100, 2619/1.8=73...(15) 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 2.2-2.3 3.0=100 HA SER 60 - HB3 LEU 64 far 0 87 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (1.97, 1.70, 41.01 ppm; 3.10 A): 2 out of 3 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 OK 59 87 75 90 2.9-4.8 5074/3.1=36, 5073/3.1=29...(16) HB3 ARG 70 - HB3 LEU 64 far 0 89 0 - 10.0-13.3 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 3 assignments used, quality = 1.00: * HG LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 ARG 23 - HB3 LEU 64 far 0 100 0 - 8.0-15.0 HG LEU 62 - HB3 LEU 64 far 0 68 0 - 8.9-9.4 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 2.4-2.9 3.1=100 QD2 LEU 29 - HB3 LEU 64 far 0 100 0 - 8.3-10.3 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 1.9-2.4 3.1=100 QG2 ILE 40 - HB3 LEU 64 far 0 71 0 - 7.6-8.4 QD2 LEU 62 - HB3 LEU 64 far 0 71 0 - 7.8-9.1 QG2 VAL 41 - HB3 LEU 64 far 0 83 0 - 9.8-10.7 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 3.1-4.4 731=100, 2647/2.1=85...(13) H LEU 52 - HG LEU 62 far 3 61 5 - 5.5-6.9 H LEU 64 - HG LEU 62 far 0 66 0 - 6.0-7.1 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 10 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.9-3.7 2616=100, 2648/2.1=95...(15) HA LYS 83 - HG2 ARG 82 poor 11 80 30 44 4.1-6.8 ~361=16, ~832=14...(5) HA SER 60 - HG LEU 64 far 0 87 0 - 7.2-9.2 HA LYS 75 - HG3 ARG 23 far 0 74 0 - 7.8-24.1 HA ALA 20 - HG3 ARG 23 far 0 88 0 - 7.9-14.1 HA ALA 77 - HG2 ARG 82 far 0 58 0 - 8.0-17.7 HA SER 60 - HG LEU 62 far 0 51 0 - 8.1-8.3 HA LEU 64 - HG LEU 62 far 0 66 0 - 8.3-8.9 HA LEU 64 - HG3 ARG 23 far 0 88 0 - 8.8-15.5 HA GLU 19 - HG3 ARG 23 far 0 87 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (1.97, 1.54, 27.08 ppm; 3.71 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.5-2.8 3.0=100 QE MET 31 + HG LEU 64 OK 38 87 45 98 4.1-6.1 5074/2.1=65, 5073/2.1=53...(12) HB2 GLN 79 - HG2 ARG 82 far 9 94 10 - 3.1-13.4 HB3 GLN 79 - HG2 ARG 82 far 7 68 10 - 4.0-12.3 HG LEU 57 - HG LEU 62 far 0 52 0 - 5.1-6.4 HB2 LEU 64 - HG LEU 62 far 0 66 0 - 7.4-8.1 QE MET 31 - HG LEU 62 far 0 51 0 - 7.4-8.9 HG LEU 57 - HG LEU 64 far 0 89 0 - 7.9-11.2 HB3 ARG 70 - HG LEU 64 far 0 89 0 - 9.3-12.9 HG2 PRO 14 - HG2 ARG 82 far 0 87 0 - 9.3-59.2 HG3 PRO 14 - HG2 ARG 82 far 0 87 0 - 9.7-60.1 HB2 LEU 64 - HG3 ARG 23 far 0 88 0 - 9.7-16.4 HB2 ARG 70 - HG3 ARG 23 far 0 73 0 - 9.7-19.8 HB2 ARG 70 - HG LEU 64 far 0 89 0 - 9.9-12.3 HB3 ARG 70 - HG3 ARG 23 far 0 73 0 - 9.9-19.6 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (1.70, 1.54, 27.08 ppm; 2.54 A): 3 out of 18 assignments used, quality = 0.99: HB2 ARG 82 + HG2 ARG 82 OK 88 95 100 92 2.4-3.0 2.9=66, 1.8/5479=52...(14) * HB3 LEU 64 + HG LEU 64 OK 87 100 100 87 2.9-3.0 3.0=62, 3.0/2616=25...(8) HG2 ARG 23 + HG3 ARG 23 OK 51 51 100 100 1.8-1.8 1.8=100 HG3 ARG 66 - HG LEU 62 far 0 65 0 - 4.0-6.6 HB2 ARG 84 - HG2 ARG 82 far 0 53 0 - 4.7-10.3 HB3 LYS 83 - HG2 ARG 82 far 0 74 0 - 5.3-8.5 HG3 ARG 66 - HG LEU 64 far 0 100 0 - 6.2-9.1 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 6.2-13.3 HG2 ARG 70 - HG3 ARG 23 far 0 81 0 - 7.4-17.8 HB3 LYS 13 - HG2 ARG 82 far 0 82 0 - 7.9-60.7 HB3 LEU 64 - HG3 ARG 23 far 0 88 0 - 8.0-15.0 HG2 ARG 70 - HG LEU 64 far 0 97 0 - 8.1-11.7 HB2 ARG 84 - HG LEU 62 far 0 32 0 - 8.6-37.5 HB3 LEU 64 - HG LEU 62 far 0 66 0 - 8.9-9.4 HG LEU 29 - HG3 ARG 23 far 0 60 0 - 9.1-12.9 HG LEU 29 - HG LEU 64 far 0 76 0 - 9.1-10.1 HG2 ARG 23 - HG LEU 64 far 0 65 0 - 9.6-14.5 HB2 LEU 29 - HG LEU 64 far 0 85 0 - 9.9-11.6 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 9 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 - 6.2-15.2 QD2 LEU 64 - HG LEU 62 far 0 66 0 - 6.6-8.1 QD2 LEU 29 - HG3 ARG 23 far 0 88 0 - 7.4-10.0 QD2 LEU 29 - HG LEU 64 far 0 100 0 - 7.7-9.6 QG2 ILE 89 - HG LEU 62 far 0 65 0 - 7.7-42.7 QD2 LEU 64 - HG3 ARG 23 far 0 88 0 - 8.2-12.4 QD2 LEU 86 - HG LEU 62 far 0 59 0 - 8.6-36.0 QD1 LEU 43 - HG LEU 62 far 0 55 0 - 8.8-10.3 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 - 5.3-6.4 QD1 LEU 64 - HG3 ARG 23 far 0 88 0 - 6.1-10.8 QD2 LEU 62 - HG LEU 64 far 0 71 0 - 6.7-8.7 QG2 ILE 40 - HG LEU 62 far 0 39 0 - 6.9-8.0 QG2 VAL 41 - HG LEU 64 far 0 83 0 - 7.6-9.3 QD1 LEU 64 - HG LEU 62 far 0 66 0 - 7.6-9.5 QG2 VAL 41 - HG3 ARG 23 far 0 67 0 - 9.0-13.5 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 3.5-4.1 4.4=100 H LYS 39 - QD2 LEU 64 far 0 65 0 - 8.7-10.7 H LEU 52 - QD2 LEU 64 far 0 97 0 - 10.0-11.2 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 6 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.2 3.1=100 QE MET 31 + QD2 LEU 64 OK 86 87 100 100 1.9-3.9 5074=78, 5073/2.1=43...(20) HG LEU 57 - QD2 LEU 64 far 0 89 0 - 6.7-8.2 HG3 PRO 14 - QD2 LEU 64 far 0 95 0 - 9.0-24.0 HG2 PRO 14 - QD2 LEU 64 far 0 95 0 - 9.5-22.9 HB3 ARG 70 - QD2 LEU 64 far 0 89 0 - 9.7-12.6 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 2.4-2.9 3.1=100 HG LEU 29 - QD2 LEU 64 far 0 76 0 - 6.1-7.0 HB2 LEU 29 - QD2 LEU 64 far 0 85 0 - 6.8-8.1 HG3 ARG 66 - QD2 LEU 64 far 0 100 0 - 6.9-9.2 HG2 ARG 23 - QD2 LEU 64 far 0 65 0 - 7.8-11.7 HG2 ARG 70 - QD2 LEU 64 far 0 97 0 - 8.6-11.5 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 - 6.6-8.1 HG3 ARG 23 - QD2 LEU 64 far 0 100 0 - 8.2-12.4 HG2 LYS 39 - QD2 LEU 64 far 0 99 0 - 8.3-10.6 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 1.9-2.0 2.1=100 QG2 ILE 40 - QD2 LEU 64 far 0 71 0 - 5.3-6.9 QD2 LEU 62 - QD2 LEU 64 far 0 71 0 - 6.6-8.0 QG2 VAL 41 - QD2 LEU 64 far 0 83 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (7.42, 0.95, 23.35 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 4.2-4.3 733=85, 3.0/2648=79...(13) H LYS 39 - QD1 LEU 64 far 0 65 0 - 8.1-10.8 Violated in 20 structures by 0.20 A. Peak 2648 from cnoeabs.peaks (4.26, 0.95, 23.35 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.2-3.1 2618=87, 2616/2.1=46...(20) HA SER 60 - QD1 LEU 64 far 0 87 0 - 6.7-8.0 HA ASP 38 - QD1 LEU 64 far 0 85 0 - 8.2-10.8 HA ALA 20 - QD1 LEU 64 far 0 100 0 - 8.7-14.4 HA LYS 39 - QD1 LEU 64 far 0 97 0 - 9.7-12.6 Violated in 3 structures by 0.01 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 1.9-2.4 3.1=100 HG2 ARG 23 - QD1 LEU 64 far 0 65 0 - 6.1-10.4 HG3 ARG 66 - QD1 LEU 64 far 0 100 0 - 6.2-8.7 HG LEU 29 - QD1 LEU 64 far 0 76 0 - 6.3-7.6 HG2 ARG 70 - QD1 LEU 64 far 0 97 0 - 7.1-9.5 HB2 LEU 29 - QD1 LEU 64 far 0 85 0 - 7.6-8.9 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 4 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 - 6.1-10.8 HG LEU 62 - QD1 LEU 64 far 0 68 0 - 7.6-9.5 HG2 LYS 39 - QD1 LEU 64 far 0 99 0 - 8.6-12.2 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 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.0 2.1=100 QD2 LEU 29 - QD1 LEU 64 far 0 100 0 - 5.6-7.4 QD1 LEU 43 - QD1 LEU 64 far 0 92 0 - 8.8-10.9 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 2.8-2.9 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 2.8-3.0 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 2.1-3.0 3.2=98, 2664/3.0=43...(21) QG2 VAL 65 + HA VAL 65 OK 83 83 100 100 2.0-2.6 3.2=98, 2669/3.0=40...(18) HG13 ILE 40 - HA VAL 65 far 5 100 5 - 4.0-6.1 HG13 ILE 33 - HA VAL 65 far 0 95 0 - 4.8-5.8 HG2 ARG 69 - HA VAL 65 far 0 99 0 - 5.2-8.6 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 2.0-2.6 3.2=87, 2669/3.0=45...(19) QG1 VAL 65 + HA VAL 65 OK 82 83 100 99 2.1-3.0 3.2=87, 2664/3.0=33...(22) HG13 ILE 40 - HA VAL 65 far 0 85 0 - 4.0-6.1 HG13 ILE 33 - HA VAL 65 far 0 99 0 - 4.8-5.8 HG2 ARG 69 - HA VAL 65 far 0 63 0 - 5.2-8.6 HG LEU 52 - HA VAL 65 far 0 89 0 - 7.1-8.5 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 1 assignment used, quality = 1.00: * H VAL 65 + HB VAL 65 OK 100 100 100 100 2.1-2.9 736=100, 2669/2.1=73...(9) 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 2.8-3.0 3.0=100 HD3 PRO 14 - HG3 MET 11 far 0 93 0 - 6.3-11.7 HA ILE 40 - HB VAL 65 far 0 100 0 - 6.3-8.6 HA ARG 69 - HB VAL 65 far 0 100 0 - 6.9-9.2 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 - 4.8-7.8 HG2 ARG 69 - HB VAL 65 far 0 99 0 - 5.7-9.9 HG13 ILE 33 - HB VAL 65 far 0 95 0 - 5.8-7.6 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 6 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 - 4.7-7.0 HG13 ILE 40 - HB VAL 65 far 0 85 0 - 4.8-7.8 HG2 ARG 69 - HB VAL 65 far 0 63 0 - 5.7-9.9 HG13 ILE 33 - HB VAL 65 far 0 99 0 - 5.8-7.6 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (8.38, 1.23, 22.65 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + QG1 VAL 65 OK 100 100 100 100 3.0-3.8 736/2.1=79, 4.0=77...(15) Violated in 18 structures by 0.08 A. Peak 2665 from cnoeabs.peaks (3.63, 1.23, 22.65 ppm; 3.34 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 65 + QG1 VAL 65 OK 100 100 100 100 2.1-3.0 3.2=100 HA ILE 40 + QG1 VAL 65 OK 46 100 50 92 3.6-6.0 3.2/5034=37, 1927=32...(16) HA ARG 69 - QG1 VAL 65 far 0 100 0 - 4.7-6.4 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 2 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 59 - QG1 VAL 65 far 0 97 0 - 9.3-12.0 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 1 assignment used, quality = 0.99: * H VAL 65 + QG2 VAL 65 OK 99 100 100 99 2.0-3.5 736/2.1=68, 4.0=57...(20) Violated in 1 structures by 0.01 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 2.0-2.6 3.2=100 HA ILE 40 - QG2 VAL 65 far 0 100 0 - 4.7-6.7 HA ARG 69 - QG2 VAL 65 far 0 100 0 - 6.7-7.9 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 - 8.1-10.5 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 2.8-2.8 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 2.4-2.6 3.0=100 HB ILE 68 - HA ARG 66 far 0 81 0 - 4.9-5.9 HG12 ILE 40 - HA ARG 66 far 0 60 0 - 6.9-9.1 HB2 ARG 71 - HA ARG 66 far 0 76 0 - 7.9-10.2 HB3 ARG 71 - HA ARG 66 far 0 78 0 - 8.1-10.7 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 5 assignments used, quality = 1.00: * HB3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 70 - HA ARG 66 far 5 95 5 - 4.7-8.5 HB2 ARG 70 - HA ARG 66 far 0 95 0 - 5.1-8.7 HG13 ILE 68 - HA ARG 66 far 0 87 0 - 6.0-7.1 HB2 GLN 79 - HA ARG 66 far 0 71 0 - 9.9-27.3 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 5 assignments used, quality = 1.00: * HG2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.5-3.7 2699=100, 1.8/2679=76...(41) HD3 ARG 69 + HA ARG 66 OK 44 83 60 89 2.4-6.5 3.9/5047=41, 3.9/4766=37...(11) HD2 ARG 69 - HA ARG 66 poor 18 83 25 89 3.4-6.7 3.9/5047=41, 3.9/4766=37...(11) HB3 GLN 79 - HA ARG 66 far 0 90 0 - 9.3-27.5 QE MET 31 - HA ARG 66 far 0 81 0 - 9.4-11.0 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 2.5-4.0 2707=85, 1.8/2699=79...(41) HG2 ARG 70 - HA ARG 66 far 9 95 10 - 4.2-9.3 HB3 LEU 64 - HA ARG 66 far 0 100 0 - 8.3-8.7 HB2 LEU 43 - HA ARG 66 far 0 60 0 - 9.0-10.4 Violated in 5 structures by 0.02 A. Peak 2680 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.65 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 66 + HA ARG 66 OK 100 100 100 100 3.3-5.5 3.0/2699=83, 3.0/2679=80...(49) HD3 ARG 66 + HA ARG 66 OK 100 100 100 100 3.3-5.5 3.0/2699=83, 3.0/2679=80...(47) HD2 ARG 70 - HA ARG 66 far 13 89 15 - 4.9-9.5 HD3 ARG 70 - HA ARG 66 far 0 92 0 - 5.9-9.8 HD3 ARG 71 - HA ARG 66 far 0 97 0 - 9.3-10.6 HD2 ARG 27 - HA ARG 66 far 0 83 0 - 9.8-14.7 HD3 ARG 27 - HA ARG 66 far 0 83 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.65 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 66 + HA ARG 66 OK 100 100 100 100 3.3-5.5 3.0/2699=83, 3.0/2679=80...(47) HD2 ARG 66 + HA ARG 66 OK 100 100 100 100 3.3-5.5 3.0/2699=83, 3.0/2679=80...(49) HD2 ARG 70 - HA ARG 66 far 13 85 15 - 4.9-9.5 HD3 ARG 70 - HA ARG 66 far 0 89 0 - 5.9-9.8 HD3 ARG 71 - HA ARG 66 far 0 95 0 - 9.3-10.6 HD2 ARG 27 - HA ARG 66 far 0 87 0 - 9.8-14.7 HD3 ARG 27 - HA ARG 66 far 0 87 0 - 9.8-15.8 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 - HB3 ARG 27 far 0 61 0 - 8.1-10.9 H ARG 66 - HB2 ARG 27 far 0 58 0 - 8.7-11.1 H ARG 66 - HB3 ARG 71 far 0 57 0 - 8.7-11.4 H ARG 66 - HB2 ARG 71 far 0 55 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (3.98, 1.88, 29.95 ppm; 4.15 A): 4 out of 47 assignments used, quality = 1.00: * HA ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.4-2.6 3.0=100 HA ALA 28 + HB3 ARG 27 OK 42 45 100 94 3.9-4.8 3.0/71=29, ~70=23...(15) HA2 GLY 72 + HB2 ARG 71 OK 37 47 85 92 4.3-5.7 6034/4.0=32, ~5841=29...(13) HA ALA 28 + HB2 ARG 27 OK 24 43 60 94 4.1-5.5 3.0/71=29, ~71=23...(15) HA2 GLY 72 - HB3 ARG 71 poor 10 48 20 - 4.7-6.0 HA3 GLY 21 - HB3 ARG 26 far 3 66 5 - 4.6-12.3 HA2 GLY 21 - HB2 ARG 23 far 2 35 5 - 3.9-9.7 HA2 GLY 21 - HB3 ARG 71 far 2 33 5 - 4.5-16.7 HA3 GLY 21 - HB3 ARG 71 far 2 32 5 - 3.7-17.9 HA3 GLY 21 - HB2 ARG 71 far 2 31 5 - 4.4-17.8 HA VAL 76 - HB2 ARG 71 far 0 51 0 - 5.1-15.8 HA2 GLY 21 - HB3 ARG 23 far 0 37 0 - 5.3-9.9 HA3 GLY 21 - HB2 ARG 23 far 0 34 0 - 5.4-9.6 HA ARG 70 - HB3 ARG 71 far 0 33 0 - 5.6-6.6 HA ARG 70 - HB2 ARG 71 far 0 32 0 - 5.6-6.6 HA2 GLY 21 - HB2 ARG 71 far 0 32 0 - 5.6-16.4 HA3 GLY 21 - HB3 ARG 23 far 0 36 0 - 5.9-10.2 HA2 GLY 21 - HB3 ARG 26 far 0 69 0 - 5.9-12.2 HA GLN 61 - HB3 ARG 27 far 0 54 0 - 6.0-8.4 HA3 GLY 21 - HB2 ARG 26 far 0 67 0 - 6.2-11.7 HA VAL 76 - HB3 ARG 71 far 0 53 0 - 6.3-15.6 HA ARG 70 - HB2 ARG 66 far 0 71 0 - 6.5-8.9 HA2 GLY 21 - HB2 ARG 26 far 0 69 0 - 6.5-11.5 HA VAL 76 - HB2 ARG 66 far 0 98 0 - 7.4-17.6 HA ALA 28 - HB2 ARG 26 far 0 84 0 - 7.4-7.9 HA GLN 61 - HB2 ARG 27 far 0 52 0 - 7.4-10.0 HA ALA 28 - HB3 ARG 26 far 0 83 0 - 7.5-8.4 HA ARG 66 - HB2 ARG 71 far 0 55 0 - 7.9-10.2 HA ARG 66 - HB3 ARG 71 far 0 57 0 - 8.1-10.7 HA2 GLY 72 - HB2 ARG 23 far 0 51 0 - 8.2-15.1 HA3 GLY 21 - HB2 ARG 27 far 0 33 0 - 8.7-12.7 HA LYS 32 - HB3 ARG 27 far 0 61 0 - 8.7-9.9 HA2 GLY 21 - HB2 ARG 27 far 0 34 0 - 8.8-12.2 HA LYS 32 - HB2 ARG 27 far 0 58 0 - 9.0-10.9 HA2 GLY 72 - HB3 ARG 23 far 0 54 0 - 9.0-15.3 HA3 GLY 21 - HB3 ARG 27 far 0 34 0 - 9.3-14.4 HA2 GLY 72 - HB3 ARG 27 far 0 52 0 - 9.4-14.1 HA ARG 70 - HB3 ARG 23 far 0 37 0 - 9.5-17.5 HA LYS 32 - HB3 ARG 26 far 0 99 0 - 9.5-11.9 HA2 GLY 21 - HB3 ARG 27 far 0 36 0 - 9.6-13.7 HA ALA 28 - HB2 ARG 23 far 0 45 0 - 9.6-12.6 HA VAL 76 - HB2 ARG 23 far 0 56 0 - 9.6-25.7 HA2 GLY 72 - HB2 ARG 27 far 0 50 0 - 9.6-13.3 HA ALA 28 - HB3 ARG 23 far 0 47 0 - 9.7-12.5 HA ALA 28 - HB2 ARG 71 far 0 40 0 - 9.8-13.7 HA GLN 61 - HB2 ARG 66 far 0 96 0 - 9.8-10.2 HA LYS 32 - HB2 ARG 26 far 0 100 0 - 9.9-12.3 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 29 assignments used, quality = 1.00: * HB3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 68 - HB2 ARG 27 far 0 45 0 - 3.9-6.3 HG13 ILE 68 - HB3 ARG 27 far 0 46 0 - 4.1-7.1 HB2 MET 31 - HB3 ARG 27 far 0 59 0 - 4.2-6.5 HB3 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.3-8.8 HG13 ILE 68 - HB2 ARG 71 far 0 42 0 - 4.6-7.3 HB2 ARG 70 - HB2 ARG 71 far 0 48 0 - 4.7-6.9 HB2 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.7-8.9 HB2 MET 31 - HB2 ARG 27 far 0 57 0 - 5.0-7.8 HB3 ARG 70 - HB2 ARG 71 far 0 48 0 - 5.1-7.1 HB2 ARG 70 - HB3 ARG 71 far 0 50 0 - 5.4-7.5 HB3 ARG 70 - HB3 ARG 71 far 0 50 0 - 5.4-7.2 HG13 ILE 68 - HB3 ARG 71 far 0 43 0 - 5.7-7.9 HB VAL 41 - HB2 ARG 71 far 0 49 0 - 6.2-10.0 HB VAL 41 - HB3 ARG 71 far 0 51 0 - 7.1-10.4 HG13 ILE 68 - HB3 ARG 23 far 0 48 0 - 7.4-12.7 HG13 ILE 68 - HB2 ARG 66 far 0 87 0 - 7.4-8.5 HB3 ARG 66 - HB3 ARG 71 far 0 57 0 - 8.1-12.4 HB2 MET 31 - HB3 ARG 26 far 0 98 0 - 8.1-10.0 HG13 ILE 68 - HB2 ARG 26 far 0 86 0 - 8.3-11.4 HB2 MET 31 - HB2 ARG 26 far 0 99 0 - 8.3-10.0 HG13 ILE 68 - HB2 ARG 23 far 0 46 0 - 8.6-11.7 HB3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.6-11.6 HB2 ARG 70 - HB3 ARG 23 far 0 55 0 - 9.1-17.2 HB3 ARG 70 - HB3 ARG 23 far 0 55 0 - 9.3-17.2 HB2 GLN 79 - HB2 ARG 66 far 0 71 0 - 9.3-26.8 HB3 ARG 66 - HB3 ARG 27 far 0 61 0 - 9.5-12.2 HG13 ILE 68 - HB3 ARG 26 far 0 85 0 - 9.8-11.7 HB2 GLN 79 - HB3 ARG 71 far 0 33 0 - 10.0-26.4 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 24 assignments used, quality = 1.00: * HG2 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.5-3.0 2.8=100 HD3 ARG 69 - HB2 ARG 66 far 4 83 5 - 3.8-8.7 HD2 ARG 69 - HB2 ARG 66 far 0 83 0 - 4.3-8.8 QE MET 31 - HB3 ARG 27 far 0 42 0 - 4.8-6.3 QE MET 31 - HB2 ARG 27 far 0 40 0 - 5.9-7.7 HD3 ARG 69 - HB2 ARG 71 far 0 39 0 - 7.0-10.7 HD2 ARG 69 - HB2 ARG 71 far 0 39 0 - 7.3-11.5 HB3 GLU 19 - HB3 ARG 26 far 0 61 0 - 7.7-15.2 HG2 ARG 66 - HB3 ARG 71 far 0 57 0 - 8.1-13.4 HD3 ARG 69 - HB3 ARG 71 far 0 41 0 - 8.2-11.1 HB3 GLN 79 - HB3 ARG 71 far 0 46 0 - 8.4-26.6 HB3 GLU 19 - HB2 ARG 26 far 0 62 0 - 8.4-14.8 HG2 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.5-12.3 QE MET 31 - HB2 ARG 26 far 0 79 0 - 8.6-10.1 QE MET 31 - HB3 ARG 26 far 0 79 0 - 8.6-10.4 HB3 GLN 79 - HB2 ARG 71 far 0 44 0 - 8.6-26.9 HB3 GLN 79 - HB2 ARG 66 far 0 90 0 - 8.7-26.8 HD2 ARG 69 - HB3 ARG 71 far 0 41 0 - 8.7-11.7 HG2 PRO 14 - HB3 ARG 26 far 0 66 0 - 9.3-24.7 HB3 GLU 19 - HB3 ARG 27 far 0 31 0 - 9.4-17.2 HG3 PRO 14 - HB3 ARG 26 far 0 66 0 - 9.5-25.7 HG2 ARG 66 - HB3 ARG 27 far 0 61 0 - 9.6-12.8 QE MET 31 - HB2 ARG 66 far 0 81 0 - 9.7-11.3 HB2 GLU 87 - HB2 ARG 66 far 0 81 0 - 9.8-40.6 Violated in 0 structures by 0.00 A. Peak 2687 from cnoeabs.peaks (1.70, 1.88, 29.95 ppm; 3.18 A): 4 out of 38 assignments used, quality = 1.00: * HG3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.3-3.0 2.8=100 HG LEU 29 + HB3 ARG 26 OK 42 79 65 82 3.8-5.0 5929/3.0=19, ~5394=15...(21) HG2 ARG 23 + HB3 ARG 23 OK 37 37 100 100 2.2-3.0 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 poor 10 50 20 - 3.0-7.8 HB3 LEU 64 - HB3 ARG 27 far 6 60 10 - 2.5-5.2 HG LEU 29 - HB2 ARG 26 far 4 79 5 - 3.8-5.8 HG2 ARG 23 - HB2 ARG 26 far 3 69 5 - 3.8-8.4 HB3 LEU 64 - HB2 ARG 27 far 3 58 5 - 3.9-6.6 HG2 ARG 70 - HB2 ARG 71 far 0 48 0 - 4.3-6.7 HG2 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.3-9.7 HG2 ARG 23 - HB2 ARG 27 far 0 34 0 - 4.9-10.1 HG2 ARG 23 - HB3 ARG 26 far 0 69 0 - 5.1-8.4 HB2 LEU 29 - HB3 ARG 26 far 0 79 0 - 5.3-6.7 HG2 ARG 23 - HB3 ARG 71 far 0 33 0 - 5.7-12.4 HB2 LEU 29 - HB2 ARG 26 far 0 79 0 - 5.7-7.2 HG LEU 29 - HB2 ARG 27 far 0 40 0 - 5.9-6.6 HG2 ARG 23 - HB3 ARG 27 far 0 36 0 - 6.1-11.0 HG LEU 29 - HB3 ARG 27 far 0 42 0 - 6.2-6.7 HG2 ARG 23 - HB2 ARG 71 far 0 32 0 - 6.7-13.1 HG2 ARG 70 - HB3 ARG 23 far 0 55 0 - 6.9-18.1 HB2 LEU 29 - HB2 ARG 27 far 0 40 0 - 7.1-8.8 HB2 LEU 29 - HB3 ARG 27 far 0 42 0 - 7.5-8.9 HG2 ARG 70 - HB2 ARG 23 far 0 52 0 - 8.0-17.5 HB3 LEU 64 - HB2 ARG 26 far 0 100 0 - 8.2-11.2 HG LEU 29 - HB2 ARG 23 far 0 42 0 - 8.5-11.5 HB3 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.8-9.2 HB3 LEU 64 - HB2 ARG 23 far 0 60 0 - 9.0-13.7 HB3 LEU 64 - HB2 ARG 71 far 0 55 0 - 9.1-11.3 HG LEU 29 - HB3 ARG 23 far 0 44 0 - 9.1-11.1 HB3 LEU 64 - HB3 ARG 26 far 0 99 0 - 9.2-12.0 HB3 LYS 83 - HB2 ARG 66 far 0 78 0 - 9.3-30.6 HG3 ARG 66 - HB3 ARG 71 far 0 57 0 - 9.6-13.4 HG2 ARG 70 - HB2 ARG 27 far 0 51 0 - 9.7-13.7 HB3 LEU 64 - HB3 ARG 71 far 0 57 0 - 9.7-12.1 HG2 ARG 70 - HB3 ARG 27 far 0 53 0 - 9.8-14.5 HG3 ARG 66 - HB2 ARG 71 far 0 55 0 - 9.8-12.6 HB3 LEU 64 - HB3 ARG 23 far 0 63 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 16 out of 67 assignments used, quality = 1.00: HD3 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-3.6 3.4=84, ~2701=19...(20) * HD2 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 26 + HB2 ARG 26 OK 91 92 100 98 2.0-4.1 3.5=83, 532/3.9=11...(58) HD3 ARG 26 + HB3 ARG 26 OK 90 92 100 98 2.0-3.5 3.5=83, 532/3.9=11...(58) HD2 ARG 26 + HB2 ARG 26 OK 89 91 100 99 2.7-4.0 3.5=83, 532/3.9=11...(57) HD2 ARG 26 + HB3 ARG 26 OK 89 90 100 98 2.1-4.1 3.5=83, 532/3.9=11...(57) HD3 ARG 71 + HB3 ARG 71 OK 48 52 95 98 2.5-4.2 3.5=78, ~2937=23...(44) HD3 ARG 27 + HB3 ARG 27 OK 43 43 100 99 2.1-4.1 3.5=77, 5382/4.1=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 41 42 100 99 2.2-4.1 3.5=77, 5382/4.1=12...(62) HD2 ARG 27 + HB3 ARG 27 OK 39 43 90 99 2.1-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 38 39 100 99 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD2 ARG 23 + HB3 ARG 23 OK 38 39 100 98 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD3 ARG 27 + HB2 ARG 27 OK 37 42 90 99 2.3-4.2 3.5=77, 5382/4.1=11...(62) HD2 ARG 23 + HB2 ARG 23 OK 36 37 100 99 2.6-4.1 3.5=78, 2.9/1287=19...(35) HD3 ARG 23 + HB2 ARG 23 OK 36 37 100 99 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD3 ARG 71 + HB2 ARG 71 OK 32 50 65 98 2.3-4.2 3.5=78, ~2937=23...(44) HD3 ARG 27 - HB2 ARG 26 poor 16 81 20 - 3.8-7.8 HD2 ARG 70 - HB2 ARG 66 far 9 89 10 - 4.0-9.8 HD3 ARG 23 - HB2 ARG 26 far 7 72 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 4 81 5 - 4.0-8.7 HD3 ARG 71 - HB3 ARG 23 far 3 57 5 - 3.6-12.3 HD2 ARG 26 - HB2 ARG 23 far 2 50 5 - 3.9-8.7 HD3 ARG 27 - HB2 ARG 23 far 2 43 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 2 43 5 - 4.1-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 47 0 - 4.3-9.0 HD2 ARG 70 - HB3 ARG 71 far 0 45 0 - 4.3-9.6 HD2 ARG 23 - HB2 ARG 26 far 0 72 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 81 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 81 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 45 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 52 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 51 0 - 4.8-9.3 HD3 ARG 70 - HB2 ARG 66 far 0 92 0 - 4.9-9.7 HD2 ARG 27 - HB3 ARG 23 far 0 45 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 49 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.0-10.0 HD3 ARG 71 - HB2 ARG 23 far 0 54 0 - 5.1-12.7 HD2 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 36 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 54 0 - 5.4-9.3 HD3 ARG 71 - HB2 ARG 27 far 0 53 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 36 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 50 0 - 5.6-9.8 HD3 ARG 70 - HB2 ARG 71 far 0 46 0 - 5.7-8.5 HD2 ARG 70 - HB2 ARG 71 far 0 43 0 - 5.9-8.8 HD3 ARG 26 - HB2 ARG 27 far 0 50 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 35 0 - 5.9-13.5 HD3 ARG 71 - HB3 ARG 27 far 0 55 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 52 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 35 0 - 6.8-12.8 HD3 ARG 23 - HB3 ARG 27 far 0 37 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 41 0 - 7.1-12.9 HD3 ARG 70 - HB3 ARG 23 far 0 52 0 - 7.1-19.3 HD2 ARG 23 - HB2 ARG 71 far 0 33 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 37 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 39 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 33 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 96 0 - 7.8-15.7 HD3 ARG 27 - HB3 ARG 71 far 0 41 0 - 8.3-12.1 HD3 ARG 70 - HB2 ARG 23 far 0 50 0 - 8.5-18.9 HD3 ARG 27 - HB2 ARG 71 far 0 39 0 - 8.6-12.4 HD2 ARG 70 - HB3 ARG 23 far 0 50 0 - 8.7-18.2 HD3 ARG 17 - HB2 ARG 26 far 0 59 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 49 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 95 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 97 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 16 out of 67 assignments used, quality = 1.00: * HD3 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-3.6 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-3.7 3.4=84, ~2701=19...(20) HD3 ARG 26 + HB2 ARG 26 OK 93 95 100 98 2.0-4.1 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 93 94 100 98 2.0-3.5 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB2 ARG 26 OK 92 93 100 99 2.7-4.0 3.5=83, 532/3.9=12...(57) HD2 ARG 26 + HB3 ARG 26 OK 91 93 100 98 2.1-4.1 3.5=83, 532/3.9=12...(57) HD3 ARG 71 + HB3 ARG 71 OK 46 50 95 98 2.5-4.2 3.5=78, ~2937=23...(44) HD3 ARG 27 + HB3 ARG 27 OK 46 46 100 99 2.1-4.1 3.5=77, 5382/4.1=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 44 45 100 99 2.2-4.1 3.5=77, 5382/4.1=12...(62) HD3 ARG 23 + HB3 ARG 23 OK 41 42 100 99 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD2 ARG 23 + HB3 ARG 23 OK 41 42 100 98 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD2 ARG 27 + HB3 ARG 27 OK 41 46 90 99 2.1-4.2 3.5=77, 5382/4.1=12...(62) HD3 ARG 27 + HB2 ARG 27 OK 40 45 90 99 2.3-4.2 3.5=77, 5382/4.1=11...(62) HD2 ARG 23 + HB2 ARG 23 OK 39 40 100 99 2.6-4.1 3.5=78, 2.9/1287=19...(35) HD3 ARG 23 + HB2 ARG 23 OK 39 40 100 99 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD3 ARG 71 + HB2 ARG 71 OK 31 48 65 98 2.3-4.2 3.5=78, ~2937=23...(44) HD3 ARG 27 - HB2 ARG 26 poor 17 86 20 - 3.8-7.8 HD2 ARG 70 - HB2 ARG 66 far 8 85 10 - 4.0-9.8 HD3 ARG 23 - HB2 ARG 26 far 8 77 10 - 3.9-8.5 HD3 ARG 27 - HB3 ARG 26 far 4 85 5 - 4.0-8.7 HD3 ARG 71 - HB3 ARG 23 far 3 55 5 - 3.6-12.3 HD2 ARG 26 - HB2 ARG 23 far 3 52 5 - 3.9-8.7 HD3 ARG 27 - HB2 ARG 23 far 2 46 5 - 3.5-10.2 HD2 ARG 27 - HB2 ARG 23 far 2 46 5 - 4.1-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 45 0 - 4.3-9.0 HD2 ARG 70 - HB3 ARG 71 far 0 42 0 - 4.3-9.6 HD2 ARG 23 - HB2 ARG 26 far 0 77 0 - 4.5-8.1 HD2 ARG 27 - HB3 ARG 26 far 0 85 0 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 86 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 48 0 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 23 far 0 55 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 53 0 - 4.8-9.3 HD3 ARG 70 - HB2 ARG 66 far 0 89 0 - 4.9-9.7 HD2 ARG 27 - HB3 ARG 23 far 0 48 0 - 4.9-10.1 HD2 ARG 26 - HB2 ARG 27 far 0 51 0 - 5.0-9.1 HD3 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.0-10.0 HD3 ARG 71 - HB2 ARG 23 far 0 52 0 - 5.1-12.7 HD2 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 39 0 - 5.3-10.7 HD3 ARG 26 - HB3 ARG 23 far 0 56 0 - 5.4-9.3 HD3 ARG 71 - HB2 ARG 27 far 0 51 0 - 5.5-12.1 HD2 ARG 23 - HB2 ARG 27 far 0 39 0 - 5.6-10.9 HD2 ARG 26 - HB3 ARG 27 far 0 53 0 - 5.6-9.8 HD3 ARG 70 - HB2 ARG 71 far 0 43 0 - 5.7-8.5 HD2 ARG 70 - HB2 ARG 71 far 0 40 0 - 5.9-8.8 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.9-9.3 HD2 ARG 23 - HB3 ARG 71 far 0 38 0 - 5.9-13.5 HD3 ARG 71 - HB3 ARG 27 far 0 53 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.5-9.8 HD3 ARG 23 - HB3 ARG 71 far 0 38 0 - 6.8-12.8 HD3 ARG 23 - HB3 ARG 27 far 0 40 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 43 0 - 7.1-12.9 HD3 ARG 70 - HB3 ARG 23 far 0 50 0 - 7.1-19.3 HD2 ARG 23 - HB2 ARG 71 far 0 36 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 40 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 42 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 36 0 - 7.8-12.6 HD3 ARG 71 - HB2 ARG 26 far 0 93 0 - 7.8-15.7 HD3 ARG 27 - HB3 ARG 71 far 0 43 0 - 8.3-12.1 HD3 ARG 70 - HB2 ARG 23 far 0 47 0 - 8.5-18.9 HD3 ARG 27 - HB2 ARG 71 far 0 42 0 - 8.6-12.4 HD2 ARG 70 - HB3 ARG 23 far 0 47 0 - 8.7-18.2 HD3 ARG 17 - HB2 ARG 26 far 0 64 0 - 9.3-21.2 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 46 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 93 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 95 0 - 9.5-11.7 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 2.4-2.7 4.0=100 H ARG 66 - HB3 ARG 70 far 0 89 0 - 6.5-10.3 H ARG 66 - HB2 ARG 70 far 0 89 0 - 7.2-10.4 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 13 assignments used, quality = 1.00: * HA ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-3.0 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 VAL 76 - HB2 ARG 70 far 0 85 0 - 4.5-12.8 HA ARG 66 - HB3 ARG 70 far 0 89 0 - 4.7-8.5 HA ARG 66 - HB2 ARG 70 far 0 89 0 - 5.1-8.7 HA VAL 76 - HB3 ARG 70 far 0 85 0 - 6.3-13.3 HA2 GLY 72 - HB2 ARG 70 far 0 79 0 - 6.7-8.3 HA2 GLY 72 - HB3 ARG 70 far 0 79 0 - 6.9-8.4 HA ARG 70 - HB3 ARG 66 far 0 71 0 - 7.5-10.0 HA GLN 61 - HB3 ARG 66 far 0 96 0 - 8.2-9.3 HA VAL 76 - HB3 ARG 66 far 0 98 0 - 8.9-18.8 HA3 GLY 21 - HB2 ARG 70 far 0 55 0 - 9.9-23.6 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 17 assignments used, quality = 1.00: * HB2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 66 - HB3 ARG 70 far 0 89 0 - 4.3-8.8 HB2 ARG 71 - HB2 ARG 70 far 0 61 0 - 4.7-6.9 HB2 ARG 66 - HB2 ARG 70 far 0 89 0 - 4.7-8.9 HB2 ARG 71 - HB3 ARG 70 far 0 61 0 - 5.1-7.1 HB3 ARG 71 - HB2 ARG 70 far 0 64 0 - 5.4-7.5 HB3 ARG 71 - HB3 ARG 70 far 0 64 0 - 5.4-7.2 HB ILE 68 - HB3 ARG 70 far 0 66 0 - 6.5-9.0 HB ILE 68 - HB3 ARG 66 far 0 81 0 - 6.6-7.4 HB ILE 68 - HB2 ARG 70 far 0 66 0 - 7.3-9.0 HB3 ARG 71 - HB3 ARG 66 far 0 78 0 - 8.1-12.4 HB2 ARG 71 - HB3 ARG 66 far 0 76 0 - 8.6-11.6 HG12 ILE 40 - HB3 ARG 66 far 0 60 0 - 8.7-11.4 HB3 ARG 23 - HB2 ARG 70 far 0 50 0 - 9.1-17.2 HB3 ARG 23 - HB3 ARG 70 far 0 50 0 - 9.3-17.2 HB3 ARG 27 - HB3 ARG 66 far 0 78 0 - 9.5-12.2 HG12 ILE 40 - HB3 ARG 70 far 0 48 0 - 9.5-13.1 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 14 assignments used, quality = 1.00: * HG2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HD3 ARG 69 - HB2 ARG 70 far 3 68 5 - 2.9-8.3 HD2 ARG 69 - HB2 ARG 70 far 3 68 5 - 3.6-8.9 HD3 ARG 69 - HB3 ARG 70 far 3 68 5 - 3.7-8.1 HD2 ARG 69 - HB3 ARG 70 far 0 68 0 - 4.0-8.8 HD3 ARG 69 - HB3 ARG 66 far 0 83 0 - 4.0-9.0 HG2 ARG 66 - HB3 ARG 70 far 0 89 0 - 4.6-11.4 HB3 GLN 79 - HB2 ARG 70 far 0 75 0 - 4.9-23.1 HG2 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.2-11.4 HD2 ARG 69 - HB3 ARG 66 far 0 83 0 - 5.5-9.3 HB3 GLN 79 - HB3 ARG 70 far 0 75 0 - 5.7-21.5 QE MET 31 - HB3 ARG 66 far 0 81 0 - 8.2-9.9 HB2 GLU 87 - HB3 ARG 66 far 0 81 0 - 8.8-42.1 HB3 GLN 79 - HB3 ARG 66 far 0 90 0 - 9.5-28.1 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 9 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 - 5.3-10.9 HG3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.2-11.1 HG3 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.7-11.3 HB3 LEU 64 - HB3 ARG 66 far 0 100 0 - 7.2-8.9 HB3 LYS 83 - HB2 ARG 70 far 0 64 0 - 9.5-30.1 HB3 LEU 64 - HB3 ARG 70 far 0 89 0 - 10.0-13.3 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 2.6-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.5-4.0 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 77 77 100 100 2.1-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 77 77 100 100 2.3-3.9 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 74 74 100 100 2.2-3.8 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 74 74 100 100 2.3-4.1 3.5=100 HD2 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 83 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 83 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 92 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.8-12.4 HD3 ARG 27 - HB3 ARG 66 far 0 83 0 - 8.7-14.9 HD2 ARG 27 - HB3 ARG 70 far 0 68 0 - 9.1-17.0 HD2 ARG 27 - HB3 ARG 66 far 0 83 0 - 9.1-14.2 HD3 ARG 71 - HB3 ARG 66 far 0 97 0 - 9.1-11.8 HD3 ARG 27 - HB3 ARG 70 far 0 68 0 - 9.5-17.6 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: * HD3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.5-4.0 3.4=100 HD2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.6-4.0 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 74 74 100 100 2.1-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 74 74 100 100 2.3-3.9 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 70 70 100 100 2.2-3.8 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 70 70 100 100 2.3-4.1 3.5=100 HD2 ARG 70 - HB3 ARG 66 far 4 85 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 80 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 80 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.8-12.4 HD3 ARG 27 - HB3 ARG 66 far 0 87 0 - 8.7-14.9 HD2 ARG 27 - HB3 ARG 70 far 0 72 0 - 9.1-17.0 HD2 ARG 27 - HB3 ARG 66 far 0 87 0 - 9.1-14.2 HD3 ARG 71 - HB3 ARG 66 far 0 95 0 - 9.1-11.8 HD3 ARG 27 - HB3 ARG 70 far 0 72 0 - 9.5-17.6 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 8 assignments used, quality = 1.00: * HA ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.5-3.7 4.1=70, 2679/1.8=68...(35) HA VAL 76 - HB3 GLN 79 far 4 85 5 - 4.4-11.4 HA ARG 70 - HB3 GLN 79 far 0 57 0 - 5.9-22.4 HA ARG 70 - HG2 ARG 66 far 0 71 0 - 7.1-11.3 HA GLN 61 - HG2 ARG 66 far 0 96 0 - 7.5-8.8 HA ARG 66 - HB3 GLN 79 far 0 89 0 - 9.3-27.5 HA VAL 76 - HG2 ARG 66 far 0 98 0 - 9.7-19.9 HA2 GLY 72 - HB3 GLN 79 far 0 79 0 - 10.0-26.0 Violated in 9 structures by 0.02 A. Peak 2700 from cnoeabs.peaks (1.88, 2.01, 28.91 ppm; 4.06 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.5-3.0 2.8=100 HB ILE 68 - HG2 ARG 66 far 0 81 0 - 6.6-7.9 HB3 PRO 14 - HB3 GLN 79 far 0 83 0 - 6.8-57.4 HB2 LYS 39 - HB3 GLN 79 far 0 66 0 - 7.2-34.7 HG12 ILE 40 - HG2 ARG 66 far 0 60 0 - 7.9-11.1 HB3 ARG 71 - HG2 ARG 66 far 0 78 0 - 8.1-13.4 HB3 ARG 71 - HB3 GLN 79 far 0 64 0 - 8.4-26.6 HB2 ARG 71 - HG2 ARG 66 far 0 76 0 - 8.5-12.3 HB2 ARG 71 - HB3 GLN 79 far 0 61 0 - 8.6-26.9 HB2 ARG 66 - HB3 GLN 79 far 0 89 0 - 8.7-26.8 HG12 ILE 40 - HB3 GLN 79 far 0 48 0 - 9.0-32.6 HB3 ARG 27 - HG2 ARG 66 far 0 78 0 - 9.6-12.8 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 10 assignments used, quality = 0.96: * HB3 ARG 66 + HG2 ARG 66 OK 90 100 100 90 2.2-3.0 2.8=62, 3.0/2699=22...(21) 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 - 4.6-11.4 HB2 ARG 70 - HB3 GLN 79 far 0 80 0 - 4.9-23.1 HB2 ARG 70 - HG2 ARG 66 far 0 95 0 - 5.2-11.4 HB3 ARG 70 - HB3 GLN 79 far 0 80 0 - 5.7-21.5 HB VAL 41 - HB3 GLN 79 far 0 81 0 - 6.2-27.6 HG13 ILE 68 - HG2 ARG 66 far 0 87 0 - 6.3-8.4 HG LEU 57 - HG2 ARG 66 far 0 95 0 - 8.9-12.8 HB3 ARG 66 - HB3 GLN 79 far 0 89 0 - 9.5-28.1 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 9 assignments used, quality = 1.00: * HG3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 70 - HB3 GLN 79 far 0 80 0 - 4.4-23.5 HG2 ARG 70 - HG2 ARG 66 far 0 95 0 - 5.2-11.9 HB2 ARG 82 - HB3 GLN 79 far 0 89 0 - 5.4-13.5 HB3 LEU 64 - HG2 ARG 66 far 0 100 0 - 6.4-8.4 HB3 LYS 83 - HB3 GLN 79 far 0 64 0 - 7.8-15.9 HB3 LYS 85 - HB3 GLN 79 far 0 52 0 - 9.0-20.7 HB3 LYS 13 - HB3 GLN 79 far 0 79 0 - 9.3-60.4 HG3 ARG 66 - HB3 GLN 79 far 0 89 0 - 9.3-29.6 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 10 assignments used, quality = 1.00: * HD2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 70 - HG2 ARG 66 far 9 89 10 - 3.8-11.9 HD3 ARG 70 - HG2 ARG 66 far 5 92 5 - 5.0-12.1 HD3 ARG 70 - HB3 GLN 79 far 4 77 5 - 4.0-22.6 HD2 ARG 70 - HB3 GLN 79 far 4 74 5 - 2.5-22.3 HD3 ARG 71 - HB3 GLN 79 far 0 83 0 - 6.7-26.8 HD3 ARG 66 - HB3 GLN 79 far 0 89 0 - 7.2-28.1 HD2 ARG 66 - HB3 GLN 79 far 0 89 0 - 7.8-27.3 HD3 ARG 71 - HG2 ARG 66 far 0 97 0 - 8.6-12.6 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 10 assignments used, quality = 1.00: * HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 70 - HG2 ARG 66 far 8 85 10 - 3.8-11.9 HD3 ARG 70 - HG2 ARG 66 far 4 89 5 - 5.0-12.1 HD3 ARG 70 - HB3 GLN 79 far 4 74 5 - 4.0-22.6 HD2 ARG 70 - HB3 GLN 79 far 3 70 5 - 2.5-22.3 HD3 ARG 71 - HB3 GLN 79 far 0 80 0 - 6.7-26.8 HD3 ARG 66 - HB3 GLN 79 far 0 89 0 - 7.2-28.1 HD2 ARG 66 - HB3 GLN 79 far 0 89 0 - 7.8-27.3 HD3 ARG 71 - HG2 ARG 66 far 0 95 0 - 8.6-12.6 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 4 assignments used, quality = 1.00: * HA ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.5-4.0 2679=100, 2699/1.8=85...(43) HA GLN 61 - HG3 ARG 66 far 0 96 0 - 7.2-9.6 HA ARG 70 - HG3 ARG 66 far 0 71 0 - 8.2-11.0 HA GLU 50 - HG3 ARG 66 far 0 95 0 - 9.9-15.3 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 5 assignments used, quality = 1.00: * HB2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.3-3.0 2.8=100 HB ILE 68 - HG3 ARG 66 far 0 81 0 - 7.0-8.3 HG12 ILE 40 - HG3 ARG 66 far 0 60 0 - 8.9-11.5 HB3 ARG 71 - HG3 ARG 66 far 0 78 0 - 9.6-13.4 HB2 ARG 71 - HG3 ARG 66 far 0 76 0 - 9.8-12.6 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 - 6.2-11.1 HB2 ARG 70 - HG3 ARG 66 far 0 95 0 - 6.7-11.3 HG13 ILE 68 - HG3 ARG 66 far 0 87 0 - 6.9-9.0 HG LEU 57 - HG3 ARG 66 far 0 95 0 - 9.5-11.3 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 6 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 - 6.0-10.1 HD2 ARG 69 - HG3 ARG 66 far 0 83 0 - 6.6-10.1 QE MET 31 - HG3 ARG 66 far 0 81 0 - 7.6-9.7 HB3 GLN 79 - HG3 ARG 66 far 0 90 0 - 9.3-29.6 HB2 GLU 87 - HG3 ARG 66 far 0 81 0 - 9.8-41.7 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 6 assignments used, quality = 1.00: * HD2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.3-3.0 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 - 5.6-12.4 HD3 ARG 70 - HG3 ARG 66 far 0 92 0 - 6.7-12.4 HD3 ARG 71 - HG3 ARG 66 far 0 97 0 - 9.4-12.9 HD3 ARG 27 - HG3 ARG 66 far 0 83 0 - 9.8-15.8 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 6 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 2.3-3.0 3.0=100 HD2 ARG 70 - HG3 ARG 66 far 0 85 0 - 5.6-12.4 HD3 ARG 70 - HG3 ARG 66 far 0 89 0 - 6.7-12.4 HD3 ARG 71 - HG3 ARG 66 far 0 95 0 - 9.4-12.9 HD3 ARG 27 - HG3 ARG 66 far 0 87 0 - 9.8-15.8 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 46 assignments used, quality = 1.00: * HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 3.3-5.5 5.2=100 HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 3.3-5.5 5.2=100 HA ARG 70 + HD3 ARG 70 OK 60 60 100 100 2.4-5.5 5.3=97, 2844/3.0=64...(23) HA ARG 70 + HD2 ARG 70 OK 57 57 100 100 2.2-5.5 5.3=97, 2844/3.0=64...(22) HA ARG 66 - HD2 ARG 70 poor 18 89 20 - 4.9-9.5 HA2 GLY 72 - HD3 ARG 71 poor 10 48 20 - 4.2-8.5 HA ALA 28 - HD2 ARG 27 poor 7 33 20 - 5.9-7.7 HA2 GLY 21 - HD2 ARG 26 poor 6 30 20 - 4.1-10.9 HA ARG 66 - HD3 ARG 70 far 5 92 5 - 5.9-9.8 HA3 GLY 21 - HD2 ARG 26 far 4 29 15 - 5.8-10.8 HA ALA 28 - HD3 ARG 27 far 3 33 10 - 6.0-7.9 HA2 GLY 21 - HD3 ARG 71 far 2 33 5 - 4.7-19.1 HA3 GLY 21 - HD3 ARG 71 far 2 32 5 - 4.2-20.3 HA2 GLY 21 - HD3 ARG 26 far 2 31 5 - 5.6-12.2 HA LYS 32 - HD3 ARG 17 far 1 30 5 - 5.7-26.2 HA VAL 76 - HD3 ARG 70 far 0 88 0 - 6.2-14.7 HA VAL 76 - HD2 ARG 70 far 0 84 0 - 6.4-14.9 HA GLN 61 - HD2 ARG 27 far 0 40 0 - 6.5-10.2 HA3 GLY 21 - HD3 ARG 26 far 0 30 0 - 6.6-12.2 HA LYS 32 - HD2 ARG 17 far 0 30 0 - 6.8-27.2 HA ARG 70 - HD3 ARG 71 far 0 33 0 - 6.8-8.2 HA2 GLY 21 - HD2 ARG 23 far 0 22 0 - 7.1-12.2 HA2 GLY 72 - HD2 ARG 70 far 0 78 0 - 7.2-10.2 HA3 GLY 21 - HD2 ARG 23 far 0 21 0 - 7.4-11.8 HA2 GLY 21 - HD3 ARG 23 far 0 22 0 - 7.4-11.3 HA GLN 61 - HD3 ARG 27 far 0 40 0 - 7.4-11.0 HA GLN 61 - HD3 ARG 66 far 0 95 0 - 7.8-10.7 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 7.8-11.7 HA2 GLY 72 - HD3 ARG 70 far 0 82 0 - 7.9-10.1 HA ALA 28 - HD3 ARG 71 far 0 42 0 - 8.0-14.6 HA VAL 76 - HD3 ARG 71 far 0 53 0 - 8.0-16.4 HA VAL 76 - HD3 ARG 66 far 0 98 0 - 8.0-19.9 HA3 GLY 21 - HD3 ARG 23 far 0 21 0 - 8.1-11.5 HA ALA 28 - HD2 ARG 26 far 0 38 0 - 8.2-11.1 HA ALA 28 - HD3 ARG 26 far 0 39 0 - 8.2-10.8 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 8.8-12.0 HA GLN 61 - HD2 ARG 66 far 0 96 0 - 9.0-10.7 HA GLU 50 - HD2 ARG 66 far 0 95 0 - 9.2-15.5 HA ARG 66 - HD3 ARG 71 far 0 56 0 - 9.3-10.6 HA GLU 50 - HD3 ARG 66 far 0 94 0 - 9.3-17.0 HA VAL 76 - HD2 ARG 66 far 0 98 0 - 9.5-18.7 HA ARG 66 - HD2 ARG 27 far 0 45 0 - 9.8-14.7 HA ARG 66 - HD3 ARG 27 far 0 45 0 - 9.8-15.8 HA LYS 32 - HD3 ARG 27 far 0 45 0 - 9.9-12.3 HA2 GLY 21 - HD2 ARG 27 far 0 26 0 - 9.9-15.5 HA3 GLY 21 - HD3 ARG 70 far 0 57 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 11 out of 75 assignments used, quality = 1.00: HB2 ARG 66 + HD3 ARG 66 OK 92 100 100 92 2.0-3.6 3.4=62, ~2701=15...(18) * HB2 ARG 66 + HD2 ARG 66 OK 92 100 100 92 2.0-3.7 3.4=62, ~2701=15...(18) HB3 ARG 26 + HD3 ARG 26 OK 48 52 100 93 2.0-3.5 3.5=61, 3.9/532=9...(53) HB3 ARG 26 + HD2 ARG 26 OK 45 51 95 93 2.1-4.1 3.5=61, 3.9/532=9...(53) HB2 ARG 26 + HD3 ARG 26 OK 36 52 75 93 2.0-4.1 3.5=61, 3.9/532=9...(53) HB2 ARG 26 + HD2 ARG 26 OK 36 51 75 93 2.7-4.0 3.5=61, 3.9/532=9...(53) HB3 ARG 71 + HD3 ARG 71 OK 29 37 85 93 2.5-4.2 3.5=58, ~2937=18...(42) HB3 ARG 27 + HD3 ARG 27 OK 26 29 95 94 2.1-4.1 3.5=57, 4.1/5382=8...(57) HB2 ARG 27 + HD2 ARG 27 OK 25 28 95 94 2.2-4.1 3.5=57, 4.1/5382=9...(57) HB3 ARG 27 + HD2 ARG 27 OK 22 29 80 94 2.1-4.2 3.5=57, 4.1/5382=9...(57) HB2 ARG 27 + HD3 ARG 27 OK 21 28 80 94 2.3-4.2 3.5=57, 4.1/5382=8...(57) HB2 ARG 71 - HD3 ARG 71 poor 18 36 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 2 44 5 - 3.8-7.8 HB3 ARG 23 - HD3 ARG 71 far 1 29 5 - 3.6-12.3 HB2 ARG 23 - HD3 ARG 27 far 1 21 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 25 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 38 0 - 3.9-8.5 HB2 ARG 66 - HD2 ARG 70 far 0 89 0 - 4.0-9.8 HB3 ARG 26 - HD3 ARG 27 far 0 44 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 21 0 - 4.1-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 66 0 - 4.3-9.0 HB3 ARG 71 - HD2 ARG 70 far 0 63 0 - 4.3-9.6 HB2 ARG 26 - HD2 ARG 23 far 0 38 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 44 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 44 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 22 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 26 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 25 0 - 4.8-9.3 HB ILE 68 - HD3 ARG 71 far 0 39 0 - 4.8-9.5 HB2 ARG 66 - HD3 ARG 70 far 0 92 0 - 4.9-9.7 HB3 ARG 23 - HD2 ARG 27 far 0 22 0 - 4.9-10.1 HB3 PRO 14 - HD3 ARG 17 far 0 27 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 33 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 38 0 - 5.0-10.0 HB2 ARG 23 - HD3 ARG 71 far 0 27 0 - 5.1-12.7 HB3 ARG 26 - HD2 ARG 23 far 0 38 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 24 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 27 0 - 5.3-14.0 HB3 ARG 23 - HD3 ARG 26 far 0 27 0 - 5.4-9.3 HB2 ARG 27 - HD3 ARG 71 far 0 36 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 24 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 34 0 - 5.6-9.8 HB2 ARG 71 - HD3 ARG 70 far 0 64 0 - 5.7-8.5 HB2 ARG 71 - HD2 ARG 70 far 0 61 0 - 5.9-8.8 HB2 ARG 27 - HD3 ARG 26 far 0 34 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 25 0 - 5.9-13.5 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 35 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 30 0 - 6.6-11.6 HB3 ARG 71 - HD3 ARG 23 far 0 25 0 - 6.8-12.8 HB3 ARG 27 - HD3 ARG 23 far 0 25 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 29 0 - 7.1-12.9 HB3 ARG 23 - HD3 ARG 70 far 0 52 0 - 7.1-19.3 HB2 ARG 71 - HD2 ARG 23 far 0 24 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 27 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 25 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 28 0 - 7.3-12.6 HB ILE 68 - HD3 ARG 27 far 0 30 0 - 7.4-12.1 HB ILE 68 - HD2 ARG 70 far 0 65 0 - 7.6-10.3 HB ILE 68 - HD3 ARG 70 far 0 69 0 - 7.7-10.7 HB2 ARG 71 - HD3 ARG 23 far 0 24 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 56 0 - 7.8-15.7 HB ILE 68 - HD2 ARG 66 far 0 81 0 - 8.1-9.6 HB3 ARG 71 - HD3 ARG 27 far 0 29 0 - 8.3-12.1 HB2 ARG 23 - HD3 ARG 70 far 0 50 0 - 8.5-18.9 HB ILE 68 - HD3 ARG 66 far 0 80 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 28 0 - 8.6-12.4 HB3 ARG 23 - HD2 ARG 70 far 0 50 0 - 8.7-18.2 HB2 ARG 26 - HD3 ARG 17 far 0 29 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 9.3-13.5 HB2 ARG 27 - HD3 ARG 70 far 0 64 0 - 9.4-15.6 HB3 ARG 26 - HD3 ARG 71 far 0 55 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 56 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 30 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 30 0 - 9.9-30.1 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.40 A): 6 out of 44 assignments used, quality = 1.00: * HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.6-4.0 3.4=96, 2701/3.0=44...(44) HB3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.5-4.0 3.4=96, 2701/3.0=44...(42) HB3 ARG 70 + HD3 ARG 70 OK 82 83 100 99 2.1-3.8 3.5=92, ~2844=18...(17) HB2 ARG 70 + HD3 ARG 70 OK 82 83 100 99 2.3-3.9 3.5=92, ~2844=18...(17) HB3 ARG 70 + HD2 ARG 70 OK 78 80 100 99 2.2-3.8 3.5=92, ~2844=18...(17) HB2 ARG 70 + HD2 ARG 70 OK 78 80 100 99 2.3-4.1 3.5=92, ~2844=18...(17) HB3 ARG 66 - HD2 ARG 70 far 4 89 5 - 4.3-10.5 HG13 ILE 68 - HD3 ARG 71 far 4 43 10 - 3.9-8.6 HB2 GLN 79 - HD2 ARG 70 far 3 57 5 - 3.9-22.5 HG13 ILE 68 - HD2 ARG 27 far 2 34 5 - 4.0-9.2 HB2 ARG 70 - HD3 ARG 71 far 0 49 0 - 4.7-8.8 HG13 ILE 68 - HD3 ARG 27 far 0 34 0 - 4.8-9.8 HB2 MET 31 - HD2 ARG 27 far 0 43 0 - 5.3-7.7 HB3 ARG 70 - HD3 ARG 71 far 0 49 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 60 0 - 5.4-23.8 HB2 MET 31 - HD3 ARG 27 far 0 43 0 - 5.4-7.6 HB3 ARG 66 - HD3 ARG 70 far 0 92 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 94 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 94 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 50 0 - 6.0-13.2 HG13 ILE 68 - HD3 ARG 70 far 0 75 0 - 6.6-10.9 HB3 ARG 70 - HD2 ARG 66 far 0 95 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 95 0 - 6.8-12.4 HG13 ILE 68 - HD2 ARG 70 far 0 71 0 - 6.9-10.7 HB VAL 41 - HD3 ARG 17 far 0 26 0 - 7.4-25.1 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 7.6-10.5 HB2 GLN 79 - HD3 ARG 71 far 0 33 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 71 0 - 8.2-28.0 HB2 MET 31 - HD2 ARG 26 far 0 50 0 - 8.6-12.4 HB2 MET 31 - HD3 ARG 26 far 0 52 0 - 8.7-13.0 HB3 ARG 66 - HD3 ARG 27 far 0 45 0 - 8.7-14.9 HG13 ILE 68 - HD2 ARG 23 far 0 29 0 - 8.7-13.9 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 8.8-10.3 HB2 GLN 79 - HD2 ARG 66 far 0 71 0 - 8.9-27.7 HB VAL 41 - HD2 ARG 17 far 0 26 0 - 9.0-25.6 HB3 ARG 70 - HD2 ARG 27 far 0 39 0 - 9.1-17.0 HB3 ARG 66 - HD2 ARG 27 far 0 45 0 - 9.1-14.2 HB3 ARG 66 - HD3 ARG 71 far 0 56 0 - 9.1-11.8 HG13 ILE 68 - HD3 ARG 23 far 0 29 0 - 9.3-14.1 HB VAL 41 - HD3 ARG 70 far 0 84 0 - 9.5-14.1 HB3 ARG 70 - HD3 ARG 27 far 0 39 0 - 9.5-17.6 HB VAL 41 - HD2 ARG 70 far 0 81 0 - 9.8-13.4 HG LEU 57 - HD3 ARG 66 far 0 94 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 95 0 - 10.0-13.4 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 34 assignments used, quality = 1.00: * HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HD2 ARG 70 far 4 89 5 - 3.8-11.9 HB3 GLN 79 - HD3 ARG 70 far 4 78 5 - 4.0-22.6 HB3 GLN 79 - HD2 ARG 70 far 4 75 5 - 2.5-22.3 HD3 ARG 69 - HD3 ARG 70 far 4 71 5 - 2.9-11.6 HD2 ARG 69 - HD3 ARG 70 far 4 71 5 - 4.1-11.5 HD3 ARG 69 - HD2 ARG 70 far 3 67 5 - 4.5-10.5 HG2 ARG 66 - HD3 ARG 70 far 0 92 0 - 5.0-12.1 QE MET 31 - HD3 ARG 27 far 0 30 0 - 5.0-7.7 HD3 ARG 69 - HD3 ARG 66 far 0 83 0 - 5.1-11.0 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.1-11.8 QE MET 31 - HD2 ARG 27 far 0 30 0 - 5.5-7.9 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.6-11.9 HD2 ARG 69 - HD2 ARG 70 far 0 67 0 - 5.7-10.7 HD2 ARG 69 - HD3 ARG 66 far 0 83 0 - 6.5-11.0 HB3 GLN 79 - HD3 ARG 71 far 0 46 0 - 6.7-26.8 HB3 GLU 19 - HD3 ARG 26 far 0 27 0 - 6.8-15.9 HB2 GLU 87 - HD3 ARG 66 far 0 80 0 - 7.0-42.0 HB3 GLN 79 - HD3 ARG 66 far 0 90 0 - 7.2-28.1 HB2 GLU 87 - HD2 ARG 66 far 0 81 0 - 7.7-41.6 HB3 GLN 79 - HD2 ARG 66 far 0 90 0 - 7.8-27.3 QE MET 31 - HD3 ARG 66 far 0 80 0 - 7.9-11.7 QE MET 31 - HD2 ARG 26 far 0 36 0 - 8.3-12.9 QE MET 31 - HD3 ARG 26 far 0 36 0 - 8.6-12.4 HB3 GLU 19 - HD2 ARG 26 far 0 26 0 - 8.6-15.7 HG2 ARG 66 - HD3 ARG 71 far 0 56 0 - 8.6-12.6 HG2 PRO 14 - HD2 ARG 26 far 0 29 0 - 8.8-24.7 HD3 ARG 69 - HD3 ARG 71 far 0 40 0 - 8.9-12.2 HD2 ARG 69 - HD3 ARG 71 far 0 40 0 - 9.1-12.7 QE MET 31 - HD2 ARG 66 far 0 81 0 - 9.1-11.7 QE MET 31 - HD3 ARG 71 far 0 39 0 - 9.3-13.3 HG3 PRO 14 - HD2 ARG 26 far 0 29 0 - 9.4-25.4 HG2 PRO 14 - HD3 ARG 26 far 0 30 0 - 9.7-24.3 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 48 assignments used, quality = 1.00: * HG3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 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 5 49 10 - 3.7-8.3 HB3 LEU 64 - HD3 ARG 27 far 4 45 10 - 3.2-8.1 HB3 LEU 64 - HD2 ARG 27 far 2 45 5 - 2.8-7.0 HG LEU 29 - HD3 ARG 26 far 2 36 5 - 4.1-7.3 HG2 ARG 23 - HD3 ARG 26 far 2 31 5 - 4.0-9.7 HG2 ARG 23 - HD2 ARG 26 far 2 30 5 - 2.5-9.5 HG LEU 29 - HD2 ARG 26 far 0 36 0 - 4.6-8.2 HG2 ARG 23 - HD3 ARG 27 far 0 26 0 - 4.8-10.7 HG2 ARG 23 - HD3 ARG 71 far 0 33 0 - 5.1-13.8 HG2 ARG 23 - HD2 ARG 27 far 0 26 0 - 5.3-9.8 HB2 LEU 29 - HD3 ARG 26 far 0 36 0 - 5.4-8.6 HG2 ARG 70 - HD2 ARG 66 far 0 95 0 - 5.6-13.2 HG3 ARG 66 - HD2 ARG 70 far 0 89 0 - 5.6-12.4 HG2 ARG 70 - HD3 ARG 66 far 0 94 0 - 5.6-12.2 HG LEU 29 - HD2 ARG 27 far 0 30 0 - 5.7-8.7 HG LEU 29 - HD3 ARG 27 far 0 30 0 - 5.8-9.2 HB2 LEU 29 - HD2 ARG 26 far 0 36 0 - 6.0-8.7 HG3 ARG 66 - HD3 ARG 70 far 0 92 0 - 6.7-12.4 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 7.5-10.6 HB3 LEU 64 - HD3 ARG 71 far 0 56 0 - 7.6-11.8 HB2 LEU 29 - HD3 ARG 27 far 0 30 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 30 0 - 7.7-10.9 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 8.0-10.5 HB3 LYS 83 - HD2 ARG 70 far 0 63 0 - 8.0-28.3 HG2 ARG 23 - HD3 ARG 70 far 0 60 0 - 8.3-18.6 HB3 LYS 83 - HD3 ARG 70 far 0 66 0 - 8.4-29.7 HG2 ARG 70 - HD2 ARG 27 far 0 39 0 - 8.4-16.3 HG LEU 29 - HD3 ARG 23 far 0 26 0 - 8.5-13.2 HB3 LYS 13 - HD3 ARG 17 far 0 25 0 - 8.8-16.7 HG2 ARG 70 - HD3 ARG 27 far 0 39 0 - 9.2-17.1 HG2 ARG 70 - HD3 ARG 23 far 0 33 0 - 9.2-17.6 HB3 LEU 64 - HD2 ARG 70 far 0 88 0 - 9.3-14.5 HB3 LYS 13 - HD2 ARG 17 far 0 25 0 - 9.3-16.1 HB3 LEU 64 - HD3 ARG 70 far 0 92 0 - 9.4-14.7 HG3 ARG 66 - HD3 ARG 71 far 0 56 0 - 9.4-12.9 HB3 LEU 64 - HD2 ARG 26 far 0 52 0 - 9.5-14.6 HG LEU 29 - HD2 ARG 23 far 0 26 0 - 9.5-12.8 HB3 LEU 64 - HD2 ARG 23 far 0 38 0 - 9.6-16.2 HG2 ARG 70 - HD2 ARG 23 far 0 33 0 - 9.6-18.3 HG3 ARG 66 - HD3 ARG 27 far 0 45 0 - 9.8-15.8 HB3 LYS 83 - HD2 ARG 66 far 0 78 0 - 10.0-32.1 HG2 ARG 23 - HD2 ARG 70 far 0 57 0 - 10.0-19.2 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 46 assignments used, quality = 1.00: * HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 3.3-5.5 5.2=100 HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 3.3-5.5 5.2=100 HA ARG 70 + HD3 ARG 70 OK 57 57 100 100 2.4-5.5 5.3=97, 2844/3.0=64...(23) HA ARG 70 + HD2 ARG 70 OK 53 53 100 100 2.2-5.5 5.3=97, 2844/3.0=64...(22) HA ARG 66 - HD2 ARG 70 poor 17 85 20 - 4.9-9.5 HA2 GLY 72 - HD3 ARG 71 poor 9 46 20 - 4.2-8.5 HA ALA 28 - HD2 ARG 27 poor 7 35 20 - 5.9-7.7 HA2 GLY 21 - HD2 ARG 26 poor 6 32 20 - 4.1-10.9 HA3 GLY 21 - HD2 ARG 26 far 5 30 15 - 5.8-10.8 HA ARG 66 - HD3 ARG 70 far 4 89 5 - 5.9-9.8 HA ALA 28 - HD3 ARG 27 far 3 35 10 - 6.0-7.9 HA LYS 32 - HD3 ARG 17 far 2 33 5 - 5.7-26.2 HA2 GLY 21 - HD3 ARG 26 far 2 32 5 - 5.6-12.2 HA2 GLY 21 - HD3 ARG 71 far 2 32 5 - 4.7-19.1 HA3 GLY 21 - HD3 ARG 71 far 2 30 5 - 4.2-20.3 HA VAL 76 - HD3 ARG 70 far 0 84 0 - 6.2-14.7 HA VAL 76 - HD2 ARG 70 far 0 81 0 - 6.4-14.9 HA GLN 61 - HD2 ARG 27 far 0 42 0 - 6.5-10.2 HA3 GLY 21 - HD3 ARG 26 far 0 31 0 - 6.6-12.2 HA LYS 32 - HD2 ARG 17 far 0 33 0 - 6.8-27.2 HA ARG 70 - HD3 ARG 71 far 0 32 0 - 6.8-8.2 HA2 GLY 21 - HD2 ARG 23 far 0 24 0 - 7.1-12.2 HA2 GLY 72 - HD2 ARG 70 far 0 74 0 - 7.2-10.2 HA3 GLY 21 - HD2 ARG 23 far 0 23 0 - 7.4-11.8 HA2 GLY 21 - HD3 ARG 23 far 0 24 0 - 7.4-11.3 HA GLN 61 - HD3 ARG 27 far 0 42 0 - 7.4-11.0 HA GLN 61 - HD3 ARG 66 far 0 96 0 - 7.8-10.7 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 7.8-11.7 HA2 GLY 72 - HD3 ARG 70 far 0 78 0 - 7.9-10.1 HA ALA 28 - HD3 ARG 71 far 0 40 0 - 8.0-14.6 HA VAL 76 - HD3 ARG 71 far 0 51 0 - 8.0-16.4 HA VAL 76 - HD3 ARG 66 far 0 98 0 - 8.0-19.9 HA3 GLY 21 - HD3 ARG 23 far 0 23 0 - 8.1-11.5 HA ALA 28 - HD2 ARG 26 far 0 40 0 - 8.2-11.1 HA ALA 28 - HD3 ARG 26 far 0 41 0 - 8.2-10.8 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 8.8-12.0 HA GLN 61 - HD2 ARG 66 far 0 95 0 - 9.0-10.7 HA GLU 50 - HD2 ARG 66 far 0 94 0 - 9.2-15.5 HA ARG 66 - HD3 ARG 71 far 0 54 0 - 9.3-10.6 HA GLU 50 - HD3 ARG 66 far 0 95 0 - 9.3-17.0 HA VAL 76 - HD2 ARG 66 far 0 98 0 - 9.5-18.7 HA ARG 66 - HD2 ARG 27 far 0 48 0 - 9.8-14.7 HA ARG 66 - HD3 ARG 27 far 0 48 0 - 9.8-15.8 HA LYS 32 - HD3 ARG 27 far 0 48 0 - 9.9-12.3 HA2 GLY 21 - HD2 ARG 27 far 0 28 0 - 9.9-15.5 HA3 GLY 21 - HD3 ARG 70 far 0 54 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 11 out of 79 assignments used, quality = 1.00: * HB2 ARG 66 + HD3 ARG 66 OK 92 100 100 92 2.0-3.6 3.4=62, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 92 100 100 92 2.0-3.7 3.4=62, ~2701=15...(18) HB3 ARG 26 + HD3 ARG 26 OK 50 54 100 93 2.0-3.5 3.5=61, 3.9/532=9...(53) HB3 ARG 26 + HD2 ARG 26 OK 47 53 95 93 2.1-4.1 3.5=61, 3.9/532=9...(53) HB2 ARG 26 + HD3 ARG 26 OK 38 55 75 93 2.0-4.1 3.5=61, 3.9/532=9...(53) HB2 ARG 26 + HD2 ARG 26 OK 37 54 75 93 2.7-4.0 3.5=61, 3.9/532=9...(53) HB3 ARG 71 + HD3 ARG 71 OK 28 36 85 93 2.5-4.2 3.5=58, ~2937=18...(42) HB3 ARG 27 + HD3 ARG 27 OK 28 31 95 94 2.1-4.1 3.5=57, 4.1/5382=9...(57) HB2 ARG 27 + HD2 ARG 27 OK 27 30 95 94 2.2-4.1 3.5=57, 4.1/5382=10...(57) HB3 ARG 27 + HD2 ARG 27 OK 24 31 80 94 2.1-4.2 3.5=57, 4.1/5382=10...(57) HB2 ARG 27 + HD3 ARG 27 OK 23 30 80 94 2.3-4.2 3.5=57, 4.1/5382=9...(57) HB3 ARG 23 - HD3 ARG 23 poor 19 20 95 - 2.1-3.9 HB3 ARG 23 - HD2 ARG 23 poor 17 20 85 - 2.1-3.9 HB2 ARG 71 - HD3 ARG 71 poor 17 35 50 - 2.3-4.2 HB2 ARG 26 - HD3 ARG 27 far 2 47 5 - 3.8-7.8 HB3 ARG 23 - HD3 ARG 71 far 1 27 5 - 3.6-12.3 HB2 ARG 23 - HD3 ARG 27 far 1 23 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 26 far 0 26 0 - 3.9-8.7 HB2 ARG 26 - HD3 ARG 23 far 0 41 0 - 3.9-8.5 HB2 ARG 66 - HD2 ARG 70 far 0 85 0 - 4.0-9.8 HB3 ARG 26 - HD3 ARG 27 far 0 47 0 - 4.0-8.7 HB2 ARG 23 - HD2 ARG 27 far 0 23 0 - 4.1-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 63 0 - 4.3-9.0 HB3 ARG 71 - HD2 ARG 70 far 0 60 0 - 4.3-9.6 HB2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 47 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 47 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 24 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 27 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 27 0 - 4.8-9.3 HB ILE 68 - HD3 ARG 71 far 0 37 0 - 4.8-9.5 HB2 ARG 66 - HD3 ARG 70 far 0 89 0 - 4.9-9.7 HB3 ARG 23 - HD2 ARG 27 far 0 24 0 - 4.9-10.1 HB3 PRO 14 - HD3 ARG 17 far 0 30 0 - 5.0-13.4 HB2 ARG 27 - HD2 ARG 26 far 0 35 0 - 5.0-9.1 HB3 ARG 26 - HD3 ARG 23 far 0 41 0 - 5.0-10.0 HB2 ARG 23 - HD3 ARG 71 far 0 26 0 - 5.1-12.7 HB3 ARG 26 - HD2 ARG 23 far 0 41 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 26 0 - 5.3-10.7 HB3 PRO 14 - HD2 ARG 17 far 0 30 0 - 5.3-14.0 HB3 ARG 23 - HD3 ARG 26 far 0 28 0 - 5.4-9.3 HB2 ARG 27 - HD3 ARG 71 far 0 35 0 - 5.5-12.1 HB2 ARG 27 - HD2 ARG 23 far 0 26 0 - 5.6-10.9 HB3 ARG 27 - HD2 ARG 26 far 0 36 0 - 5.6-9.8 HB2 ARG 71 - HD3 ARG 70 far 0 61 0 - 5.7-8.5 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.9-8.8 HB2 ARG 27 - HD3 ARG 26 far 0 35 0 - 5.9-9.3 HB3 ARG 71 - HD2 ARG 23 far 0 27 0 - 5.9-13.5 HB3 ARG 27 - HD3 ARG 71 far 0 36 0 - 6.1-12.0 HB3 ARG 27 - HD3 ARG 26 far 0 37 0 - 6.5-9.8 HB ILE 68 - HD2 ARG 27 far 0 33 0 - 6.6-11.6 HB3 ARG 71 - HD3 ARG 23 far 0 27 0 - 6.8-12.8 HB3 ARG 27 - HD3 ARG 23 far 0 27 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 31 0 - 7.1-12.9 HB3 ARG 23 - HD3 ARG 70 far 0 50 0 - 7.1-19.3 HB2 ARG 71 - HD2 ARG 23 far 0 26 0 - 7.1-14.0 HG12 ILE 40 - HD3 ARG 71 far 0 26 0 - 7.2-14.5 HB3 ARG 27 - HD2 ARG 23 far 0 27 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 30 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 22 0 - 7.3-22.4 HB ILE 68 - HD3 ARG 27 far 0 33 0 - 7.4-12.1 HB ILE 68 - HD2 ARG 70 far 0 62 0 - 7.6-10.3 HB ILE 68 - HD3 ARG 70 far 0 65 0 - 7.7-10.7 HB2 ARG 71 - HD3 ARG 23 far 0 26 0 - 7.8-12.6 HB2 ARG 26 - HD3 ARG 71 far 0 54 0 - 7.8-15.7 HB ILE 68 - HD2 ARG 66 far 0 80 0 - 8.1-9.6 HB2 LYS 39 - HD2 ARG 17 far 0 22 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 31 0 - 8.3-12.1 HB2 ARG 23 - HD3 ARG 70 far 0 47 0 - 8.5-18.9 HB ILE 68 - HD3 ARG 66 far 0 81 0 - 8.5-9.5 HB2 ARG 71 - HD3 ARG 27 far 0 30 0 - 8.6-12.4 HB3 ARG 23 - HD2 ARG 70 far 0 47 0 - 8.7-18.2 HB2 ARG 26 - HD3 ARG 17 far 0 33 0 - 9.3-21.2 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 9.3-13.5 HB2 ARG 27 - HD3 ARG 70 far 0 61 0 - 9.4-15.6 HB3 ARG 26 - HD3 ARG 71 far 0 53 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 54 0 - 9.5-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 33 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 33 0 - 9.9-30.1 Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.40 A): 6 out of 44 assignments used, quality = 1.00: * HB3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.5-4.0 3.4=96, 2701/3.0=44...(42) HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.6-4.0 3.4=96, 2701/3.0=44...(44) HB3 ARG 70 + HD3 ARG 70 OK 78 80 100 99 2.1-3.8 3.5=92, ~2844=18...(17) HB2 ARG 70 + HD3 ARG 70 OK 78 80 100 99 2.3-3.9 3.5=92, ~2844=18...(17) HB3 ARG 70 + HD2 ARG 70 OK 75 76 100 99 2.2-3.8 3.5=92, ~2844=18...(17) HB2 ARG 70 + HD2 ARG 70 OK 75 76 100 98 2.3-4.1 3.5=92, ~2844=18...(17) HB3 ARG 66 - HD2 ARG 70 far 4 85 5 - 4.3-10.5 HG13 ILE 68 - HD3 ARG 71 far 4 41 10 - 3.9-8.6 HB2 GLN 79 - HD2 ARG 70 far 3 53 5 - 3.9-22.5 HG13 ILE 68 - HD2 ARG 27 far 2 36 5 - 4.0-9.2 HB2 ARG 70 - HD3 ARG 71 far 0 47 0 - 4.7-8.8 HG13 ILE 68 - HD3 ARG 27 far 0 36 0 - 4.8-9.8 HB2 MET 31 - HD2 ARG 27 far 0 46 0 - 5.3-7.7 HB3 ARG 70 - HD3 ARG 71 far 0 47 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 57 0 - 5.4-23.8 HB2 MET 31 - HD3 ARG 27 far 0 46 0 - 5.4-7.6 HB3 ARG 66 - HD3 ARG 70 far 0 89 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 95 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 95 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 48 0 - 6.0-13.2 HG13 ILE 68 - HD3 ARG 70 far 0 71 0 - 6.6-10.9 HB3 ARG 70 - HD2 ARG 66 far 0 94 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 94 0 - 6.8-12.4 HG13 ILE 68 - HD2 ARG 70 far 0 68 0 - 6.9-10.7 HB VAL 41 - HD3 ARG 17 far 0 29 0 - 7.4-25.1 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 7.6-10.5 HB2 GLN 79 - HD3 ARG 71 far 0 32 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 71 0 - 8.2-28.0 HB2 MET 31 - HD2 ARG 26 far 0 53 0 - 8.6-12.4 HB2 MET 31 - HD3 ARG 26 far 0 54 0 - 8.7-13.0 HB3 ARG 66 - HD3 ARG 27 far 0 48 0 - 8.7-14.9 HG13 ILE 68 - HD2 ARG 23 far 0 31 0 - 8.7-13.9 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 8.8-10.3 HB2 GLN 79 - HD2 ARG 66 far 0 71 0 - 8.9-27.7 HB VAL 41 - HD2 ARG 17 far 0 29 0 - 9.0-25.6 HB3 ARG 70 - HD2 ARG 27 far 0 41 0 - 9.1-17.0 HB3 ARG 66 - HD2 ARG 27 far 0 48 0 - 9.1-14.2 HB3 ARG 66 - HD3 ARG 71 far 0 54 0 - 9.1-11.8 HG13 ILE 68 - HD3 ARG 23 far 0 31 0 - 9.3-14.1 HB VAL 41 - HD3 ARG 70 far 0 81 0 - 9.5-14.1 HB3 ARG 70 - HD3 ARG 27 far 0 41 0 - 9.5-17.6 HB VAL 41 - HD2 ARG 70 far 0 77 0 - 9.8-13.4 HG LEU 57 - HD3 ARG 66 far 0 95 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 94 0 - 10.0-13.4 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 34 assignments used, quality = 1.00: * HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 - HD2 ARG 70 far 4 85 5 - 3.8-11.9 HB3 GLN 79 - HD3 ARG 70 far 4 75 5 - 4.0-22.6 HB3 GLN 79 - HD2 ARG 70 far 4 71 5 - 2.5-22.3 HD3 ARG 69 - HD3 ARG 70 far 3 67 5 - 2.9-11.6 HD2 ARG 69 - HD3 ARG 70 far 3 67 5 - 4.1-11.5 HD3 ARG 69 - HD2 ARG 70 far 3 64 5 - 4.5-10.5 HG2 ARG 66 - HD3 ARG 70 far 0 89 0 - 5.0-12.1 QE MET 31 - HD3 ARG 27 far 0 33 0 - 5.0-7.7 HD3 ARG 69 - HD3 ARG 66 far 0 83 0 - 5.1-11.0 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.1-11.8 QE MET 31 - HD2 ARG 27 far 0 33 0 - 5.5-7.9 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.6-11.9 HD2 ARG 69 - HD2 ARG 70 far 0 64 0 - 5.7-10.7 HD2 ARG 69 - HD3 ARG 66 far 0 83 0 - 6.5-11.0 HB3 GLN 79 - HD3 ARG 71 far 0 44 0 - 6.7-26.8 HB3 GLU 19 - HD3 ARG 26 far 0 28 0 - 6.8-15.9 HB2 GLU 87 - HD3 ARG 66 far 0 81 0 - 7.0-42.0 HB3 GLN 79 - HD3 ARG 66 far 0 90 0 - 7.2-28.1 HB2 GLU 87 - HD2 ARG 66 far 0 80 0 - 7.7-41.6 HB3 GLN 79 - HD2 ARG 66 far 0 90 0 - 7.8-27.3 QE MET 31 - HD3 ARG 66 far 0 81 0 - 7.9-11.7 QE MET 31 - HD2 ARG 26 far 0 37 0 - 8.3-12.9 QE MET 31 - HD3 ARG 26 far 0 38 0 - 8.6-12.4 HB3 GLU 19 - HD2 ARG 26 far 0 27 0 - 8.6-15.7 HG2 ARG 66 - HD3 ARG 71 far 0 54 0 - 8.6-12.6 HG2 PRO 14 - HD2 ARG 26 far 0 30 0 - 8.8-24.7 HD3 ARG 69 - HD3 ARG 71 far 0 39 0 - 8.9-12.2 HD2 ARG 69 - HD3 ARG 71 far 0 39 0 - 9.1-12.7 QE MET 31 - HD2 ARG 66 far 0 80 0 - 9.1-11.7 QE MET 31 - HD3 ARG 71 far 0 37 0 - 9.3-13.3 HG3 PRO 14 - HD2 ARG 26 far 0 30 0 - 9.4-25.4 HG2 PRO 14 - HD3 ARG 26 far 0 31 0 - 9.7-24.3 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 52 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 2.3-3.0 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 2.2-3.0 2.9=100 HG2 ARG 23 + HD2 ARG 23 OK 24 24 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HD3 ARG 27 far 5 48 10 - 3.2-8.1 HG2 ARG 70 - HD3 ARG 71 far 5 47 10 - 3.7-8.3 HB3 LEU 64 - HD2 ARG 27 far 2 48 5 - 2.8-7.0 HG LEU 29 - HD3 ARG 26 far 2 38 5 - 4.1-7.3 HG2 ARG 23 - HD3 ARG 26 far 2 32 5 - 4.0-9.7 HG2 ARG 23 - HD2 ARG 26 far 2 32 5 - 2.5-9.5 HG LEU 29 - HD2 ARG 26 far 0 37 0 - 4.6-8.2 HG2 ARG 23 - HD3 ARG 27 far 0 28 0 - 4.8-10.7 HG2 ARG 23 - HD3 ARG 71 far 0 32 0 - 5.1-13.8 HG2 ARG 23 - HD2 ARG 27 far 0 28 0 - 5.3-9.8 HB2 LEU 29 - HD3 ARG 26 far 0 38 0 - 5.4-8.6 HB2 LEU 29 - HD2 ARG 17 far 0 22 0 - 5.5-23.8 HG2 ARG 70 - HD2 ARG 66 far 0 94 0 - 5.6-13.2 HG3 ARG 66 - HD2 ARG 70 far 0 85 0 - 5.6-12.4 HG2 ARG 70 - HD3 ARG 66 far 0 95 0 - 5.6-12.2 HB2 LEU 29 - HD3 ARG 17 far 0 22 0 - 5.6-22.9 HG LEU 29 - HD2 ARG 27 far 0 33 0 - 5.7-8.7 HG LEU 29 - HD3 ARG 27 far 0 33 0 - 5.8-9.2 HB2 LEU 29 - HD2 ARG 26 far 0 37 0 - 6.0-8.7 HG3 ARG 66 - HD3 ARG 70 far 0 89 0 - 6.7-12.4 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 7.5-10.6 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 7.6-11.8 HB2 LEU 29 - HD3 ARG 27 far 0 33 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 33 0 - 7.7-10.9 HG LEU 29 - HD2 ARG 17 far 0 22 0 - 7.9-22.7 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 8.0-10.5 HB3 LYS 83 - HD2 ARG 70 far 0 60 0 - 8.0-28.3 HG LEU 29 - HD3 ARG 17 far 0 22 0 - 8.1-21.7 HG2 ARG 23 - HD3 ARG 70 far 0 57 0 - 8.3-18.6 HB3 LYS 83 - HD3 ARG 70 far 0 63 0 - 8.4-29.7 HG2 ARG 70 - HD2 ARG 27 far 0 41 0 - 8.4-16.3 HG LEU 29 - HD3 ARG 23 far 0 28 0 - 8.5-13.2 HB3 LYS 13 - HD3 ARG 17 far 0 28 0 - 8.8-16.7 HG2 ARG 70 - HD3 ARG 27 far 0 41 0 - 9.2-17.1 HG2 ARG 70 - HD3 ARG 23 far 0 36 0 - 9.2-17.6 HB3 LEU 64 - HD2 ARG 70 far 0 85 0 - 9.3-14.5 HB3 LYS 13 - HD2 ARG 17 far 0 28 0 - 9.3-16.1 HB3 LEU 64 - HD3 ARG 70 far 0 88 0 - 9.4-14.7 HG3 ARG 66 - HD3 ARG 71 far 0 54 0 - 9.4-12.9 HB3 LEU 64 - HD2 ARG 26 far 0 54 0 - 9.5-14.6 HG LEU 29 - HD2 ARG 23 far 0 28 0 - 9.5-12.8 HB3 LEU 64 - HD2 ARG 23 far 0 42 0 - 9.6-16.2 HG2 ARG 70 - HD2 ARG 23 far 0 36 0 - 9.6-18.3 HG3 ARG 66 - HD3 ARG 27 far 0 48 0 - 9.8-15.8 HB3 LYS 83 - HD2 ARG 66 far 0 78 0 - 10.0-32.1 HG2 ARG 23 - HD2 ARG 70 far 0 53 0 - 10.0-19.2 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 3 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 3.2-3.9 4792=48, 4.9/5049=23...(11) H VAL 76 - HA ASP 67 far 0 60 0 - 8.8-15.1 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 2.6-3.0 3.0=100 HB2 ASN 49 + HA ASP 46 OK 69 90 85 91 2.7-4.4 4488=39, 1.8/5360=38...(9) HB3 PHE 48 - HA ASP 46 far 0 76 0 - 5.1-7.3 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 2.5-3.0 3.0=100 HB2 ASN 74 - HA ASP 67 far 0 65 0 - 8.1-13.4 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 2.1-2.8 749=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 2.6-3.0 3.0=100 HA ASP 24 - HB2 ASP 67 far 0 97 0 - 6.0-10.4 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 2.3-3.1 750=100, 749/1.8=82...(8) H ARG 70 - HB3 ASP 67 far 0 78 0 - 5.2-5.9 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 2.5-3.0 3.0=100 HA ASP 24 - HB3 ASP 67 far 0 97 0 - 5.9-8.8 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 2.7-2.9 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 5 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 99 2.5-2.8 4.0=65, 1.8/2746=59...(17) HG12 ILE 40 - HA ILE 68 far 0 99 0 - 5.1-8.6 HB2 ARG 66 - HA ILE 68 far 0 81 0 - 7.8-8.5 HB2 ARG 26 - HA ILE 68 far 0 89 0 - 8.7-12.5 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (0.81, 3.51, 65.41 ppm; 3.22 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 68 + HA ILE 68 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 ILE 68 + HA ILE 68 OK 61 63 100 98 3.8-3.9 4.1=47, 2.1/2746=47...(16) QG1 VAL 41 - HA ILE 68 far 0 95 0 - 5.9-7.2 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (0.92, 3.51, 65.41 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 68 + HA ILE 68 OK 99 100 100 99 2.6-2.9 2764=66, 1.8/2747=44...(19) QG2 VAL 41 + HA ILE 68 OK 22 93 35 67 4.0-5.2 1982/3.2=25...(7) QG2 ILE 40 - HA ILE 68 far 10 98 10 - 4.0-5.4 QG1 VAL 76 - HA ILE 68 far 0 100 0 - 7.3-14.2 QG2 VAL 76 - HA ILE 68 far 0 100 0 - 9.4-15.9 QD2 LEU 62 - HA ILE 68 far 0 98 0 - 9.5-11.3 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 2.5-2.8 4.0=65, 1.8/2746=59...(17) HB ILE 68 + HA ILE 68 OK 65 65 100 100 3.0-3.0 3.0=100 HG12 ILE 40 - HA ILE 68 far 0 85 0 - 5.1-8.6 HB VAL 41 - HA ILE 68 far 0 99 0 - 7.1-8.7 HB3 ARG 66 - HA ILE 68 far 0 87 0 - 7.5-8.7 HB2 MET 31 - HA ILE 68 far 0 96 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (0.78, 3.51, 65.41 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HA ILE 68 OK 99 100 100 99 3.8-3.9 4.1=55, 2.1/2746=52...(16) QG2 ILE 68 + HA ILE 68 OK 63 63 100 100 2.3-2.5 3.2=100 QG1 VAL 41 - HA ILE 68 far 0 92 0 - 5.9-7.2 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 2.4-2.6 3.9=84, 939/290=56...(20) 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 62 63 100 100 2.1-2.4 3.2=96, 5.0/2749=22...(21) QG1 VAL 41 - HB ILE 68 far 0 95 0 - 6.3-7.1 QD1 LEU 43 - HB ILE 68 far 0 81 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (0.92, 1.90, 38.07 ppm; 3.61 A): 3 out of 6 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 2.0-3.3 1940=48, 4298/2.1=46...(28) QG2 VAL 41 + HB ILE 68 OK 39 93 60 70 4.0-4.9 1982/2.1=34...(9) QD2 LEU 62 - HB ILE 68 far 0 98 0 - 7.8-9.4 HG LEU 51 - HB ILE 68 far 0 60 0 - 8.6-11.0 QG1 VAL 76 - HB ILE 68 far 0 100 0 - 9.7-15.5 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 2.1-2.4 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 - 6.3-7.1 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 3.7-3.8 4.0=100 H ALA 20 - QG2 ILE 68 far 0 92 0 - 6.9-13.6 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 2.3-2.5 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): 3 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=29...(19) HG12 ILE 40 + QG2 ILE 68 OK 49 99 50 99 2.0-5.1 2.1/5249=56, 2.9/4753=34...(28) HB2 GLU 19 - QG2 ILE 68 far 0 95 0 - 7.1-15.2 HB2 ARG 26 - QG2 ILE 68 far 0 89 0 - 7.5-10.4 HB2 ARG 66 - QG2 ILE 68 far 0 81 0 - 7.6-8.3 HB3 ARG 26 - QG2 ILE 68 far 0 90 0 - 8.9-11.2 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: QG2 ILE 40 + QG2 ILE 68 OK 96 98 100 97 2.0-3.2 4298=38, 3.0/5249=33...(29) * HG12 ILE 68 + QG2 ILE 68 OK 95 100 100 95 2.1-2.3 3.2=63, 2746/3.2=25...(20) QG2 VAL 41 + QG2 ILE 68 OK 76 93 100 82 2.0-3.2 1982=36, 4349/4753=12...(21) QG1 VAL 76 - QG2 ILE 68 far 0 100 0 - 7.7-12.6 HG LEU 51 - QG2 ILE 68 far 0 60 0 - 7.9-10.0 QD2 LEU 43 - QG2 ILE 68 far 0 73 0 - 8.0-9.0 QD2 LEU 62 - QG2 ILE 68 far 0 98 0 - 8.1-9.5 QG2 VAL 76 - QG2 ILE 68 far 0 100 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (1.92, 0.81, 17.06 ppm; 3.23 A): 3 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 OK 42 85 50 99 2.0-5.1 2.1/5249=59, 2.9/4753=36...(28) HB VAL 41 - QG2 ILE 68 far 0 99 0 - 4.2-5.7 HB2 GLU 19 - QG2 ILE 68 far 0 93 0 - 7.1-15.2 HB3 ARG 66 - QG2 ILE 68 far 0 87 0 - 7.5-8.1 HB2 MET 31 - QG2 ILE 68 far 0 96 0 - 7.5-9.1 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 3.5-4.0 2770/1.8=86, 4.5=84...(15) 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 2.6-2.9 4.0=99, 3.0/2763=55...(19) 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 7 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 5 99 5 - 3.9-8.2 HB2 ARG 26 - HG12 ILE 68 far 0 89 0 - 7.3-10.5 HB3 ARG 26 - HG12 ILE 68 far 0 90 0 - 8.9-11.2 HB2 ARG 66 - HG12 ILE 68 far 0 81 0 - 9.0-10.0 HB2 GLU 19 - HG12 ILE 68 far 0 95 0 - 9.2-17.6 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 2.1-2.3 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 - 7.1-8.6 QD1 LEU 43 - HG12 ILE 68 far 0 81 0 - 9.6-10.9 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 7 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 4 85 5 - 3.9-8.2 HB2 MET 31 - HG12 ILE 68 far 0 96 0 - 7.4-9.1 HB VAL 41 - HG12 ILE 68 far 0 99 0 - 7.5-9.7 HB3 ARG 66 - HG12 ILE 68 far 0 87 0 - 8.3-9.7 HB2 GLU 19 - HG12 ILE 68 far 0 93 0 - 9.2-17.6 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 2.1-2.3 3.2=100 QG1 VAL 41 - HG12 ILE 68 far 0 92 0 - 7.1-8.6 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 2.1-2.7 2777/2.1=67, 2763/1.8=65...(20) 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 2.5-2.8 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 - 7.7-8.9 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 - 4.4-5.6 QG2 VAL 41 - HG13 ILE 68 far 0 93 0 - 5.4-6.7 QD2 LEU 62 - HG13 ILE 68 far 0 98 0 - 8.5-10.0 QG1 VAL 76 - HG13 ILE 68 far 0 100 0 - 9.0-16.3 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 - 7.7-8.9 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 3.0-3.3 2770/2.1=73, 2763/2.1=65...(17) H ALA 20 - QD1 ILE 68 far 0 92 0 - 9.3-13.5 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 2.1-2.4 3.2=83, 2749/2777=28...(18) 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 5 99 5 - 2.2-5.6 HB2 ARG 26 - QD1 ILE 68 far 0 89 0 - 6.7-9.3 HB2 ARG 66 - QD1 ILE 68 far 0 81 0 - 6.9-7.9 HB3 ARG 26 - QD1 ILE 68 far 0 90 0 - 7.6-9.4 HB2 GLU 19 - QD1 ILE 68 far 0 95 0 - 7.8-15.0 HB3 PRO 34 - QD1 ILE 68 far 0 76 0 - 9.2-10.7 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): 2 out of 7 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 OK 89 98 95 95 3.0-4.1 3.0/5247=37, 4298/2.9=25...(23) QG2 VAL 41 - QD1 ILE 68 far 0 93 0 - 4.6-5.5 QD2 LEU 62 - QD1 ILE 68 far 0 98 0 - 6.9-8.0 HG LEU 51 - QD1 ILE 68 far 0 60 0 - 7.2-9.7 QG1 VAL 76 - QD1 ILE 68 far 0 100 0 - 9.0-14.7 QD2 LEU 43 - QD1 ILE 68 far 0 73 0 - 9.2-10.3 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 2.1-2.4 3.2=84, 3.9/2777=26...(18) HG12 ILE 40 - QD1 ILE 68 far 4 85 5 - 2.2-5.6 HB2 MET 31 - QD1 ILE 68 far 0 96 0 - 4.7-6.1 HB3 ARG 66 - QD1 ILE 68 far 0 87 0 - 6.3-7.4 HB VAL 41 - QD1 ILE 68 far 0 99 0 - 7.1-8.3 HB2 GLU 19 - QD1 ILE 68 far 0 93 0 - 7.8-15.0 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 92 99 100 93 3.1-4.2 15492=63, 5055/5130=41...(9) H LYS 73 + HA ARG 69 OK 73 93 95 82 3.4-5.1 5263/5130=36...(10) H VAL 76 - HA ARG 69 far 0 76 0 - 8.5-14.2 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): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 69 + HA ARG 69 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 73 + HA ARG 69 OK 44 83 90 59 3.6-6.1 2968/15492=14...(10) HB3 LYS 73 - HA ARG 69 far 4 71 5 - 4.5-7.8 HB3 LYS 75 - HA ARG 69 far 0 92 0 - 7.5-12.4 HB3 LYS 39 - HA ARG 69 far 0 83 0 - 8.5-10.8 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 9 assignments used, quality = 1.00: * HB3 ARG 69 + HA ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HA ARG 69 OK 86 87 100 99 2.1-3.8 3.9=79, 3944/3.6=27...(29) HG3 LYS 73 - HA ARG 69 far 0 99 0 - 5.8-8.1 QB ALA 78 - HA ARG 69 far 0 99 0 - 6.6-17.9 QB ALA 77 - HA ARG 69 far 0 85 0 - 7.3-15.5 QB ALA 20 - HA ARG 69 far 0 89 0 - 7.9-18.2 HG3 LYS 39 - HA ARG 69 far 0 97 0 - 8.4-11.3 HG3 LYS 75 - HA ARG 69 far 0 100 0 - 9.3-14.2 HG2 LYS 75 - HA ARG 69 far 0 100 0 - 9.8-14.4 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 5 assignments used, quality = 1.00: * HG2 ARG 69 + HA ARG 69 OK 100 100 100 100 2.1-3.9 3.9=100 QG1 VAL 65 - HA ARG 69 far 10 99 10 - 4.7-6.4 HG13 ILE 40 - HA ARG 69 far 0 98 0 - 5.7-7.1 QG2 VAL 65 - HA ARG 69 far 0 63 0 - 6.7-7.9 HG13 ILE 33 - HA ARG 69 far 0 81 0 - 10.0-11.9 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 9 assignments used, quality = 1.00: * HG3 ARG 69 + HA ARG 69 OK 99 100 100 99 2.1-3.8 3.9=71, 3944/3.6=29...(30) HB3 ARG 69 + HA ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 73 - HA ARG 69 far 0 97 0 - 5.8-8.1 QB ALA 78 - HA ARG 69 far 0 97 0 - 6.6-17.9 QB ALA 77 - HA ARG 69 far 0 100 0 - 7.3-15.5 QB ALA 20 - HA ARG 69 far 0 100 0 - 7.9-18.2 HG3 LYS 39 - HA ARG 69 far 0 63 0 - 8.4-11.3 HG3 LYS 75 - HA ARG 69 far 0 95 0 - 9.3-14.2 HG2 LYS 75 - HA ARG 69 far 0 95 0 - 9.8-14.4 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 5 assignments used, quality = 1.00: * H ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.1-2.4 760=100, 2800/1.8=69...(15) H GLY 72 - HB2 ARG 69 far 0 99 0 - 5.2-6.2 H LYS 73 - HB2 ARG 69 far 0 93 0 - 5.7-6.8 H VAL 76 - HB2 ARG 69 far 0 76 0 - 7.9-13.9 H ALA 63 - HB2 ARG 69 far 0 100 0 - 9.9-10.6 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 2.6-3.0 3.0=100 HA ILE 40 - HB2 ARG 69 far 5 100 5 - 5.0-7.6 HA VAL 65 - HB2 ARG 69 far 0 100 0 - 5.1-6.4 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 8 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 QB ALA 78 - HB2 ARG 69 far 0 99 0 - 5.9-17.5 QB ALA 77 - HB2 ARG 69 far 0 85 0 - 7.0-15.3 HG3 LYS 73 - HB2 ARG 69 far 0 99 0 - 7.4-9.5 HG3 LYS 39 - HB2 ARG 69 far 0 97 0 - 8.2-12.0 HG2 LYS 75 - HB2 ARG 69 far 0 100 0 - 9.7-16.2 HG3 LYS 75 - HB2 ARG 69 far 0 100 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (1.24, 1.80, 29.46 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 QG1 VAL 65 + HB2 ARG 69 OK 43 99 55 80 3.3-5.3 5034/4303=36...(8) QG2 VAL 65 - HB2 ARG 69 far 0 63 0 - 5.3-7.2 HG13 ILE 40 - HB2 ARG 69 far 0 98 0 - 5.8-8.6 HG13 ILE 33 - HB2 ARG 69 far 0 81 0 - 9.9-11.6 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 8 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 QB ALA 78 - HB2 ARG 69 far 0 97 0 - 5.9-17.5 QB ALA 77 - HB2 ARG 69 far 0 100 0 - 7.0-15.3 HG3 LYS 73 - HB2 ARG 69 far 0 97 0 - 7.4-9.5 HG3 LYS 39 - HB2 ARG 69 far 0 63 0 - 8.2-12.0 HG2 LYS 75 - HB2 ARG 69 far 0 95 0 - 9.7-16.2 HG3 LYS 75 - HB2 ARG 69 far 0 95 0 - 9.8-15.7 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 4 assignments used, quality = 1.00: HD2 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.1-3.8 3.9=100 * HD3 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.5-3.8 3.9=100 HG2 ARG 66 - HB2 ARG 69 far 0 83 0 - 5.4-7.1 HB VAL 76 - HB2 ARG 69 far 0 93 0 - 8.1-16.8 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 4 assignments used, quality = 1.00: * H ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.7-3.5 4.0=98, 760/1.8=89...(15) H LYS 73 - HB3 ARG 69 far 5 93 5 - 4.8-7.0 H GLY 72 - HB3 ARG 69 far 0 99 0 - 4.9-6.2 H VAL 76 - HB3 ARG 69 far 0 76 0 - 8.4-14.6 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 2.2-3.0 3.0=100 HA ILE 40 - HB3 ARG 69 poor 20 100 20 - 4.1-7.2 HA VAL 65 - HB3 ARG 69 far 0 100 0 - 5.2-7.7 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 4 83 5 - 3.9-7.5 HB3 LYS 73 - HB3 ARG 69 far 0 71 0 - 5.0-9.2 HB3 LYS 75 - HB3 ARG 69 far 0 92 0 - 6.4-14.1 HB3 LYS 39 - HB3 ARG 69 far 0 83 0 - 8.2-12.1 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): 2 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 OK 32 99 45 72 3.8-6.1 5034/4302=36...(6) HG13 ILE 40 - HB3 ARG 69 far 0 98 0 - 5.4-8.6 QG2 VAL 65 - HB3 ARG 69 far 0 63 0 - 6.1-8.3 HG13 ILE 33 - HB3 ARG 69 far 0 81 0 - 9.8-12.2 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 2.0-4.0 3.9=100 HD2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.3-3.6 3.9=100 HG2 ARG 66 - HB3 ARG 69 far 0 83 0 - 5.8-8.0 HB VAL 76 - HB3 ARG 69 far 0 93 0 - 7.6-17.4 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 3.2-4.6 4.7=87, 760/3.0=83...(16) H LYS 73 + HG2 ARG 69 OK 49 93 70 75 3.8-7.1 5264/4903=40...(6) H GLY 72 - HG2 ARG 69 far 15 99 15 - 4.9-7.0 H VAL 76 - HG2 ARG 69 far 0 76 0 - 5.9-14.3 H ALA 30 - HG13 ILE 33 far 0 63 0 - 6.2-7.7 H ALA 63 - HG13 ILE 33 far 0 62 0 - 8.4-9.7 H ARG 69 - HG13 ILE 33 far 0 63 0 - 8.8-10.2 Violated in 1 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (3.63, 1.24, 27.02 ppm; 4.15 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.1-3.9 3.9=100 HA ILE 40 - HG2 ARG 69 far 15 100 15 - 4.5-9.0 HA VAL 65 - HG13 ILE 33 far 6 63 10 - 4.8-5.8 HA VAL 65 - HG2 ARG 69 far 0 100 0 - 5.2-8.6 HA ILE 40 - HG13 ILE 33 far 0 62 0 - 8.7-9.5 HD3 PRO 14 - HG13 ILE 33 far 0 56 0 - 9.7-26.4 HA ARG 69 - HG13 ILE 33 far 0 63 0 - 10.0-11.9 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 10 assignments used, quality = 1.00: * HB2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 73 - HG2 ARG 69 poor 18 83 55 40 2.7-7.0 2818/1.8=12, 2786/3.9=12...(6) HB3 LYS 73 - HG2 ARG 69 poor 14 71 20 - 3.1-8.8 HB3 LYS 75 - HG2 ARG 69 far 0 92 0 - 5.3-14.0 HB2 LYS 32 - HG13 ILE 33 far 0 31 0 - 6.7-7.5 HB3 LYS 32 - HG13 ILE 33 far 0 31 0 - 7.1-8.0 HB2 PRO 34 - HG13 ILE 33 far 0 41 0 - 8.2-8.7 HB3 LYS 39 - HG13 ILE 33 far 0 46 0 - 8.5-11.5 HB3 LYS 39 - HG2 ARG 69 far 0 83 0 - 9.3-13.6 HB2 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.9-11.6 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 11 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 QB ALA 78 - HG2 ARG 69 far 0 99 0 - 4.1-16.5 HG3 LYS 73 - HG2 ARG 69 far 0 99 0 - 4.7-9.4 QB ALA 77 - HG2 ARG 69 far 0 85 0 - 5.6-16.5 HG3 LYS 75 - HG2 ARG 69 far 0 100 0 - 7.1-14.2 HG3 LYS 39 - HG2 ARG 69 far 0 97 0 - 7.5-13.7 QB ALA 20 - HG13 ILE 33 far 0 50 0 - 7.5-15.3 HG3 LYS 39 - HG13 ILE 33 far 0 58 0 - 7.9-10.9 HG2 LYS 75 - HG2 ARG 69 far 0 100 0 - 8.0-14.3 HB3 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.8-12.2 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 12 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 QB ALA 78 - HG2 ARG 69 far 0 97 0 - 4.1-16.5 HG3 LYS 73 - HG2 ARG 69 far 0 97 0 - 4.7-9.4 QB ALA 77 - HG2 ARG 69 far 0 100 0 - 5.6-16.5 QB ALA 16 - HG13 ILE 33 far 0 50 0 - 7.0-18.3 HG3 LYS 75 - HG2 ARG 69 far 0 95 0 - 7.1-14.2 HG3 LYS 39 - HG2 ARG 69 far 0 63 0 - 7.5-13.7 QB ALA 20 - HG13 ILE 33 far 0 63 0 - 7.5-15.3 HG3 LYS 39 - HG13 ILE 33 far 0 33 0 - 7.9-10.9 HG2 LYS 75 - HG2 ARG 69 far 0 95 0 - 8.0-14.3 HB3 ARG 69 - HG13 ILE 33 far 0 49 0 - 9.8-12.2 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 9 assignments used, quality = 1.00: * HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 0 83 0 - 5.7-9.9 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 6.4-15.5 HB3 GLU 19 - HG13 ILE 33 far 0 60 0 - 7.5-19.3 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 8.2-10.1 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 8.2-10.7 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 9.3-12.9 HG2 ARG 66 - HG13 ILE 33 far 0 46 0 - 9.6-11.0 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 9 assignments used, quality = 1.00: HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 0 83 0 - 5.7-9.9 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 6.4-15.5 HB3 GLU 19 - HG13 ILE 33 far 0 60 0 - 7.5-19.3 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 8.2-10.1 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 8.2-10.7 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 9.3-12.9 HG2 ARG 66 - HG13 ILE 33 far 0 46 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (7.98, 1.38, 27.02 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 69 + HG3 ARG 69 OK 100 100 100 100 3.1-4.7 4.7=84, 760/3.0=82...(16) H LYS 73 + HG3 ARG 69 OK 39 93 50 84 4.1-6.3 2808/1.8=25...(10) H GLY 72 - HG3 ARG 69 far 15 99 15 - 5.1-7.0 H VAL 76 - HG3 ARG 69 far 0 76 0 - 6.5-13.3 Violated in 1 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (3.63, 1.38, 27.02 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.1-3.8 3.9=100 HA ILE 40 + HG3 ARG 69 OK 29 100 35 82 4.0-8.4 3.2/4778=25, ~4302=24...(12) HA VAL 65 - HG3 ARG 69 far 0 100 0 - 6.2-8.9 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (1.80, 1.38, 27.02 ppm; 3.94 A): 2 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 OK 23 83 50 55 3.0-5.7 2786/3.9=14, 2810/1.8=13...(10) HB3 LYS 73 - HG3 ARG 69 poor 18 71 25 - 3.2-7.4 HB3 LYS 75 - HG3 ARG 69 far 0 92 0 - 5.0-13.3 HB3 LYS 39 - HG3 ARG 69 far 0 83 0 - 8.8-12.9 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 - 4.2-7.1 HG13 ILE 40 - HG3 ARG 69 far 0 98 0 - 5.5-9.8 QG2 VAL 65 - HG3 ARG 69 far 0 63 0 - 5.8-9.3 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 - 5.7-9.6 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 6.6-15.1 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.6-12.6 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 - 5.7-9.6 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 6.6-15.1 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.32 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.0-4.7 4.6=81, 2789/3.0=41...(25) HA ARG 69 + HD3 ARG 69 OK 95 100 95 100 3.1-5.2 4.6=81, 2789/3.0=41...(25) HA ILE 40 + HD2 ARG 69 OK 23 100 30 76 3.9-8.5 5120/4789=24...(9) HA ILE 40 - HD3 ARG 69 far 10 100 10 - 4.1-9.7 HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.5-9.6 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 10 assignments used, quality = 1.00: * HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.1-3.8 3.9=100 HB2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.5-3.8 3.9=100 HB2 LYS 73 - HD2 ARG 69 poor 17 83 20 - 3.3-7.5 HB2 LYS 73 - HD3 ARG 69 poor 8 83 25 38 3.4-7.3 2786/4.6=14, 2818/3.0=13...(4) HB3 LYS 73 - HD3 ARG 69 far 7 71 10 - 3.9-8.5 HB3 LYS 73 - HD2 ARG 69 far 7 71 10 - 4.6-9.1 HB3 LYS 75 - HD3 ARG 69 far 0 92 0 - 5.7-15.2 HB3 LYS 75 - HD2 ARG 69 far 0 92 0 - 6.0-15.4 HB3 LYS 39 - HD3 ARG 69 far 0 83 0 - 8.7-14.5 HB3 LYS 39 - HD2 ARG 69 far 0 83 0 - 8.8-13.7 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 16 assignments used, quality = 1.00: HB3 ARG 69 + HD3 ARG 69 OK 99 100 100 99 2.0-4.0 3.9=92, 2813/3.0=24...(16) * HB3 ARG 69 + HD2 ARG 69 OK 99 100 100 99 2.3-3.6 3.9=92, 2813/3.0=24...(16) 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 QB ALA 78 - HD3 ARG 69 far 5 99 5 - 4.3-18.4 QB ALA 78 - HD2 ARG 69 far 0 99 0 - 4.8-18.8 QB ALA 77 - HD2 ARG 69 far 0 85 0 - 5.3-17.4 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 5.5-16.8 HG3 LYS 73 - HD2 ARG 69 far 0 99 0 - 5.6-9.4 HG3 LYS 73 - HD3 ARG 69 far 0 99 0 - 6.1-8.8 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 6.9-13.4 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 7.2-12.8 HG2 LYS 75 - HD3 ARG 69 far 0 100 0 - 7.7-16.1 HG3 LYS 75 - HD2 ARG 69 far 0 100 0 - 8.3-16.1 HG3 LYS 75 - HD3 ARG 69 far 0 100 0 - 8.4-16.2 HG2 LYS 75 - HD2 ARG 69 far 0 100 0 - 8.4-16.6 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 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 QG1 VAL 65 - HD2 ARG 69 far 15 99 15 - 4.4-6.7 QG1 VAL 65 - HD3 ARG 69 far 5 99 5 - 3.6-7.2 QG2 VAL 65 - HD3 ARG 69 far 0 63 0 - 6.1-9.4 HG13 ILE 40 - HD2 ARG 69 far 0 98 0 - 6.2-10.3 HG13 ILE 40 - HD3 ARG 69 far 0 98 0 - 6.5-11.6 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 6.7-9.0 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 16 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 + HD3 ARG 69 OK 85 87 100 97 2.0-4.0 3.9=83, 2813/3.0=32...(16) HB3 ARG 69 + HD2 ARG 69 OK 84 87 100 97 2.3-3.6 3.9=83, 2813/3.0=32...(16) QB ALA 78 - HD3 ARG 69 far 5 97 5 - 4.3-18.4 QB ALA 78 - HD2 ARG 69 far 0 97 0 - 4.8-18.8 QB ALA 77 - HD2 ARG 69 far 0 100 0 - 5.3-17.4 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 5.5-16.8 HG3 LYS 73 - HD2 ARG 69 far 0 97 0 - 5.6-9.4 HG3 LYS 73 - HD3 ARG 69 far 0 97 0 - 6.1-8.8 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 6.9-13.4 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 7.2-12.8 HG2 LYS 75 - HD3 ARG 69 far 0 95 0 - 7.7-16.1 HG3 LYS 75 - HD2 ARG 69 far 0 95 0 - 8.3-16.1 HG3 LYS 75 - HD3 ARG 69 far 0 95 0 - 8.4-16.2 HG2 LYS 75 - HD2 ARG 69 far 0 95 0 - 8.4-16.6 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; 4.32 A): 3 out of 6 assignments used, quality = 1.00: HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.0-4.7 4.6=81, 2789/3.0=41...(25) * HA ARG 69 + HD3 ARG 69 OK 95 100 95 100 3.1-5.2 4.6=81, 2789/3.0=41...(25) HA ILE 40 + HD2 ARG 69 OK 23 100 30 76 3.9-8.5 5120/4789=24...(9) HA ILE 40 - HD3 ARG 69 far 10 100 10 - 4.1-9.7 HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.5-9.6 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 10 assignments used, quality = 1.00: HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.1-3.8 3.9=100 * HB2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.5-3.8 3.9=100 HB2 LYS 73 - HD2 ARG 69 poor 17 83 20 - 3.3-7.5 HB2 LYS 73 - HD3 ARG 69 poor 8 83 25 38 3.4-7.3 2786/4.6=14, 2818/3.0=13...(4) HB3 LYS 73 - HD3 ARG 69 far 7 71 10 - 3.9-8.5 HB3 LYS 73 - HD2 ARG 69 far 7 71 10 - 4.6-9.1 HB3 LYS 75 - HD3 ARG 69 far 0 92 0 - 5.7-15.2 HB3 LYS 75 - HD2 ARG 69 far 0 92 0 - 6.0-15.4 HB3 LYS 39 - HD3 ARG 69 far 0 83 0 - 8.7-14.5 HB3 LYS 39 - HD2 ARG 69 far 0 83 0 - 8.8-13.7 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 16 assignments used, quality = 1.00: * HB3 ARG 69 + HD3 ARG 69 OK 99 100 100 99 2.0-4.0 3.9=92, 2813/3.0=24...(16) HB3 ARG 69 + HD2 ARG 69 OK 99 100 100 99 2.3-3.6 3.9=92, 2813/3.0=24...(16) 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 QB ALA 78 - HD3 ARG 69 far 5 99 5 - 4.3-18.4 QB ALA 78 - HD2 ARG 69 far 0 99 0 - 4.8-18.8 QB ALA 77 - HD2 ARG 69 far 0 85 0 - 5.3-17.4 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 5.5-16.8 HG3 LYS 73 - HD2 ARG 69 far 0 99 0 - 5.6-9.4 HG3 LYS 73 - HD3 ARG 69 far 0 99 0 - 6.1-8.8 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 6.9-13.4 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 7.2-12.8 HG2 LYS 75 - HD3 ARG 69 far 0 100 0 - 7.7-16.1 HG3 LYS 75 - HD2 ARG 69 far 0 100 0 - 8.3-16.1 HG3 LYS 75 - HD3 ARG 69 far 0 100 0 - 8.4-16.2 HG2 LYS 75 - HD2 ARG 69 far 0 100 0 - 8.4-16.6 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 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 QG1 VAL 65 - HD2 ARG 69 far 15 99 15 - 4.4-6.7 QG1 VAL 65 - HD3 ARG 69 far 5 99 5 - 3.6-7.2 QG2 VAL 65 - HD3 ARG 69 far 0 63 0 - 6.1-9.4 HG13 ILE 40 - HD2 ARG 69 far 0 98 0 - 6.2-10.3 HG13 ILE 40 - HD3 ARG 69 far 0 98 0 - 6.5-11.6 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 6.7-9.0 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 16 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 + HD3 ARG 69 OK 85 87 100 97 2.0-4.0 3.9=83, 2813/3.0=32...(16) HB3 ARG 69 + HD2 ARG 69 OK 84 87 100 97 2.3-3.6 3.9=83, 2813/3.0=32...(16) QB ALA 78 - HD3 ARG 69 far 5 97 5 - 4.3-18.4 QB ALA 78 - HD2 ARG 69 far 0 97 0 - 4.8-18.8 QB ALA 77 - HD2 ARG 69 far 0 100 0 - 5.3-17.4 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 5.5-16.8 HG3 LYS 73 - HD2 ARG 69 far 0 97 0 - 5.6-9.4 HG3 LYS 73 - HD3 ARG 69 far 0 97 0 - 6.1-8.8 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 6.9-13.4 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 7.2-12.8 HG2 LYS 75 - HD3 ARG 69 far 0 95 0 - 7.7-16.1 HG3 LYS 75 - HD2 ARG 69 far 0 95 0 - 8.3-16.1 HG3 LYS 75 - HD3 ARG 69 far 0 95 0 - 8.4-16.2 HG2 LYS 75 - HD2 ARG 69 far 0 95 0 - 8.4-16.6 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 VAL 76 - HA ARG 70 far 5 99 5 - 4.3-11.5 H ASP 67 - HA ARG 70 far 0 78 0 - 7.0-8.3 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 5 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 - 7.1-9.8 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 7.5-10.0 HB2 GLN 79 - HA ARG 70 far 0 96 0 - 7.6-22.1 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 5 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 - 7.1-9.8 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 7.5-10.0 HB2 GLN 79 - HA ARG 70 far 0 96 0 - 7.6-22.1 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 2.8-3.8 2865=92, 1.8/2845=74...(19) HG3 ARG 66 - HA ARG 70 far 0 95 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.61, 4.00, 58.60 ppm; 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 2873=98, 1.8/2844=75...(19) HD2 LYS 73 - HA ARG 70 poor 20 100 20 - 4.4-7.8 HD3 LYS 73 - HA ARG 70 far 5 100 5 - 4.2-7.7 HG2 ARG 71 - HA ARG 70 far 0 99 0 - 5.1-7.1 Violated in 1 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 2.2-5.5 5.3=89, 3.0/2844=88...(22) HD3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-5.5 5.3=89, 3.0/2844=88...(23) HD3 ARG 71 - HA ARG 70 far 0 99 0 - 6.8-8.2 HD3 ARG 66 - HA ARG 70 far 0 85 0 - 7.8-11.7 HD2 ARG 66 - HA ARG 70 far 0 89 0 - 8.8-12.0 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: * HD3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-5.5 5.3=89, 3.0/2844=88...(23) HD2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.2-5.5 5.3=89, 3.0/2844=88...(22) HD3 ARG 71 - HA ARG 70 far 0 100 0 - 6.8-8.2 HD3 ARG 66 - HA ARG 70 far 0 89 0 - 7.8-11.7 HD2 ARG 66 - HA ARG 70 far 0 92 0 - 8.8-12.0 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 + HB3 ARG 70 OK 98 100 100 98 2.2-3.6 4.1=54, 770/2.9=41...(18) * H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 4.1=54, 770/2.9=41...(18) H ASP 67 + HB3 ARG 66 OK 59 64 100 92 2.4-4.2 4.6=36, 937/742=34...(16) H VAL 76 - HB2 ARG 70 far 5 99 5 - 4.0-13.0 H ASP 67 - HB3 ARG 70 far 0 78 0 - 4.5-8.2 H VAL 76 - HB3 ARG 70 far 0 99 0 - 5.0-13.7 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.2-6.8 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-7.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 5.5-8.3 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 8 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 2.3-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 0 71 0 - 4.7-8.5 HA ARG 66 - HB2 ARG 70 far 0 71 0 - 5.1-8.7 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 7.5-10.0 HA PHE 48 - HB3 ARG 66 far 0 52 0 - 8.7-11.6 HB2 SER 22 - HB2 ARG 70 far 0 98 0 - 9.6-17.8 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 12 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 - 5.3-10.9 HG3 ARG 66 - HB3 ARG 70 far 0 95 0 - 6.2-11.1 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 66 far 0 72 0 - 6.8-31.6 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 7.2-8.9 HB2 ARG 84 - HB2 ARG 70 far 0 87 0 - 9.4-31.6 HB3 LYS 83 - HB2 ARG 70 far 0 98 0 - 9.5-30.1 HB2 ARG 84 - HB3 ARG 70 far 0 87 0 - 9.8-30.6 HB3 LEU 64 - HB3 ARG 70 far 0 97 0 - 10.0-13.3 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 16 assignments used, quality = 1.00: * HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 71 - HB3 ARG 70 poor 18 99 35 51 3.6-6.7 2920/4.4=25, 5.0/5842=14...(6) HG2 ARG 71 - HB2 ARG 70 poor 12 99 25 48 3.0-6.9 2920/4.4=25, 771/4.1=12...(6) HB3 LEU 62 - HB3 ARG 66 far 6 59 10 - 4.1-6.6 HG3 ARG 70 - HB3 ARG 66 far 0 89 0 - 4.9-11.4 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.2-10.1 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.4-10.5 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.5-10.0 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 7.1-10.0 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 7.6-10.9 HG3 ARG 84 - HB3 ARG 66 far 0 70 0 - 8.9-32.3 HB3 LEU 51 - HB3 ARG 66 far 0 80 0 - 8.9-11.6 HG2 ARG 84 - HB3 ARG 66 far 0 70 0 - 9.3-30.6 HG2 ARG 27 - HB3 ARG 66 far 0 70 0 - 9.8-14.5 HG3 ARG 27 - HB3 ARG 66 far 0 68 0 - 9.9-14.5 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 + 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 2.3-4.1 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.6-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 100 100 2.5-4.0 3.4=100 HD2 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 99 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 99 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.8-12.4 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 9.1-11.8 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 2.1-3.8 3.5=100 * HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 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 2.3-4.1 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.6-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.5-4.0 3.4=100 HD2 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 100 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 100 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 6.8-12.4 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 9.1-11.8 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 + HB3 ARG 70 OK 98 100 100 98 2.2-3.6 4.1=54, 770/2.9=41...(18) H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 4.1=54, 770/2.9=41...(18) H ASP 67 + HB3 ARG 66 OK 59 64 100 92 2.4-4.2 4.6=36, 937/742=34...(16) H VAL 76 - HB2 ARG 70 far 5 99 5 - 4.0-13.0 H ASP 67 - HB3 ARG 70 far 0 78 0 - 4.5-8.2 H VAL 76 - HB3 ARG 70 far 0 99 0 - 5.0-13.7 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.2-6.8 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-7.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 5.5-8.3 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 8 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 2.3-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 0 71 0 - 4.7-8.5 HA ARG 66 - HB2 ARG 70 far 0 71 0 - 5.1-8.7 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 7.5-10.0 HA PHE 48 - HB3 ARG 66 far 0 52 0 - 8.7-11.6 HB2 SER 22 - HB2 ARG 70 far 0 98 0 - 9.6-17.8 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 12 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 - 5.3-10.9 HG3 ARG 66 - HB3 ARG 70 far 0 95 0 - 6.2-11.1 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 66 far 0 72 0 - 6.8-31.6 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 7.2-8.9 HB2 ARG 84 - HB2 ARG 70 far 0 87 0 - 9.4-31.6 HB3 LYS 83 - HB2 ARG 70 far 0 98 0 - 9.5-30.1 HB2 ARG 84 - HB3 ARG 70 far 0 87 0 - 9.8-30.6 HB3 LEU 64 - HB3 ARG 70 far 0 97 0 - 10.0-13.3 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 16 assignments used, quality = 1.00: HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 71 - HB3 ARG 70 poor 18 99 35 51 3.6-6.7 2920/4.4=25, 5.0/5842=14...(6) HG2 ARG 71 - HB2 ARG 70 poor 12 99 25 48 3.0-6.9 2920/4.4=25, 771/4.1=12...(6) HB3 LEU 62 - HB3 ARG 66 far 6 59 10 - 4.1-6.6 HG3 ARG 70 - HB3 ARG 66 far 0 89 0 - 4.9-11.4 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.2-10.1 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.4-10.5 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.5-10.0 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 7.1-10.0 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 7.6-10.9 HG3 ARG 84 - HB3 ARG 66 far 0 70 0 - 8.9-32.3 HB3 LEU 51 - HB3 ARG 66 far 0 80 0 - 8.9-11.6 HG2 ARG 84 - HB3 ARG 66 far 0 70 0 - 9.3-30.6 HG2 ARG 27 - HB3 ARG 66 far 0 70 0 - 9.8-14.5 HG3 ARG 27 - HB3 ARG 66 far 0 68 0 - 9.9-14.5 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 + 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 2.3-4.1 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.6-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 100 100 2.5-4.0 3.4=100 HD2 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 99 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 99 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.8-12.4 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 9.1-11.8 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 2.1-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 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 2.3-4.1 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.6-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.5-4.0 3.4=100 HD2 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.3-10.5 HD3 ARG 71 - HB2 ARG 70 far 0 100 0 - 4.7-8.8 HD3 ARG 71 - HB3 ARG 70 far 0 100 0 - 5.3-8.6 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.4-10.4 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-11.3 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.9-12.0 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 6.6-10.7 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 6.8-12.4 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (7.95, 1.71, 27.11 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HG2 ARG 70 OK 100 100 100 100 1.9-4.2 770=100, 2872/1.8=69...(18) H ASP 67 - HG2 ARG 70 far 8 78 10 - 4.6-8.3 H VAL 76 - HG2 ARG 70 far 0 99 0 - 6.1-13.0 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 2.8-3.8 2844=100, 2845/1.8=77...(19) HA ARG 66 - HG2 ARG 70 far 11 71 15 - 4.2-9.3 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 - 5.3-10.9 HB2 GLN 79 - HG2 ARG 70 far 0 96 0 - 6.0-23.4 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.1-11.9 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 - 5.3-10.9 HB2 GLN 79 - HG2 ARG 70 far 0 96 0 - 6.0-23.4 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.1-11.9 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 15 99 15 - 2.0-7.0 HD2 LYS 73 - HG2 ARG 70 far 0 100 0 - 5.9-10.8 HD3 LYS 73 - HG2 ARG 70 far 0 100 0 - 6.8-10.9 HG3 ARG 27 - HG2 ARG 70 far 0 83 0 - 9.1-14.8 HG2 ARG 27 - HG2 ARG 70 far 0 85 0 - 9.3-15.7 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 15 99 15 - 3.7-8.3 HD2 ARG 66 - HG2 ARG 70 far 0 89 0 - 5.6-13.2 HD3 ARG 66 - HG2 ARG 70 far 0 85 0 - 5.6-12.2 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 15 100 15 - 3.7-8.3 HD2 ARG 66 - HG2 ARG 70 far 0 92 0 - 5.6-13.2 HD3 ARG 66 - HG2 ARG 70 far 0 89 0 - 5.6-12.2 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (7.95, 1.61, 27.11 ppm; 4.51 A): 1 out of 19 assignments used, quality = 1.00: * H ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.6-4.5 770/1.8=89, 4.9=77...(17) H ASP 67 - HG3 ARG 70 far 8 78 10 - 4.6-9.2 H LEU 29 - HG2 ARG 26 far 0 58 0 - 5.6-7.1 H LEU 29 - HG2 ARG 27 far 0 73 0 - 5.9-7.4 H LEU 29 - HG3 ARG 27 far 0 71 0 - 6.0-7.5 H VAL 76 - HG3 ARG 70 far 0 99 0 - 6.1-12.5 H LYS 32 - HG3 ARG 27 far 0 64 0 - 7.0-9.9 H ASP 67 - HG2 ARG 27 far 0 50 0 - 7.2-11.5 H LYS 32 - HG2 ARG 27 far 0 66 0 - 7.2-9.6 H ASP 67 - HG3 ARG 27 far 0 48 0 - 7.3-11.2 H LYS 32 - HG3 ARG 17 far 0 93 0 - 7.9-25.1 H LYS 32 - HG2 ARG 17 far 0 94 0 - 8.1-25.1 H LEU 29 - HG2 ARG 17 far 0 99 0 - 8.5-20.9 H LEU 29 - HG3 ARG 17 far 0 99 0 - 8.7-21.0 H ALA 63 - HG2 ARG 27 far 0 44 0 - 9.0-13.2 H LYS 32 - HG2 ARG 26 far 0 52 0 - 9.2-11.3 H ALA 63 - HG3 ARG 27 far 0 43 0 - 9.2-13.2 H ALA 63 - HG LEU 86 far 0 57 0 - 9.4-40.2 H ARG 70 - HG3 ARG 27 far 0 71 0 - 9.9-13.5 Violated in 4 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (4.00, 1.61, 27.11 ppm; 3.88 A): 1 out of 11 assignments used, quality = 1.00: * HA ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.5-3.9 2845=100, 2844/1.8=76...(19) HB2 SER 22 - HG2 ARG 26 far 3 55 5 - 3.8-8.3 HA ARG 66 - HG3 ARG 70 far 0 71 0 - 4.9-9.6 HA LYS 32 - HG2 ARG 17 far 0 69 0 - 6.3-25.3 HA LYS 32 - HG3 ARG 17 far 0 68 0 - 6.9-25.2 HB2 SER 22 - HG3 ARG 27 far 0 67 0 - 6.9-12.3 HB2 SER 22 - HG2 ARG 27 far 0 69 0 - 7.1-11.8 HA LYS 32 - HG3 ARG 27 far 0 43 0 - 9.1-12.0 HA ARG 66 - HG3 ARG 84 far 0 44 0 - 9.4-32.2 HA LYS 32 - HG2 ARG 27 far 0 44 0 - 9.4-11.8 HA ARG 66 - HG2 ARG 84 far 0 44 0 - 9.9-30.7 Violated in 1 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.95, 1.61, 27.11 ppm; 3.43 A): 2 out of 18 assignments used, quality = 1.00: * HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 MET 31 - HG3 ARG 27 far 0 53 0 - 4.4-7.7 HB2 MET 31 - HG2 ARG 27 far 0 55 0 - 4.5-7.3 HB2 LEU 64 - HG2 ARG 27 far 0 59 0 - 4.6-8.7 HB2 LEU 64 - HG3 ARG 27 far 0 57 0 - 4.9-8.8 HB3 ARG 66 - HG3 ARG 70 far 0 95 0 - 4.9-11.4 HB2 GLN 79 - HG3 ARG 70 far 0 96 0 - 5.1-22.4 HB VAL 41 - HG2 ARG 17 far 0 69 0 - 8.7-23.6 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 8.7-17.9 HB3 ARG 66 - HG3 ARG 84 far 0 64 0 - 8.9-32.3 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.1-12.3 HB3 ARG 66 - HG2 ARG 84 far 0 64 0 - 9.3-30.6 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 9.5-17.3 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 9.7-12.0 HB3 ARG 66 - HG2 ARG 27 far 0 64 0 - 9.8-14.5 HB3 ARG 66 - HG3 ARG 27 far 0 62 0 - 9.9-14.5 HB2 LEU 64 - HG3 ARG 70 far 0 89 0 - 10.0-14.3 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 18 assignments used, quality = 1.00: HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 * HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 MET 31 - HG3 ARG 27 far 0 53 0 - 4.4-7.7 HB2 MET 31 - HG2 ARG 27 far 0 55 0 - 4.5-7.3 HB2 LEU 64 - HG2 ARG 27 far 0 59 0 - 4.6-8.7 HB2 LEU 64 - HG3 ARG 27 far 0 57 0 - 4.9-8.8 HB3 ARG 66 - HG3 ARG 70 far 0 95 0 - 4.9-11.4 HB2 GLN 79 - HG3 ARG 70 far 0 96 0 - 5.1-22.4 HB VAL 41 - HG2 ARG 17 far 0 69 0 - 8.7-23.6 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 8.7-17.9 HB3 ARG 66 - HG3 ARG 84 far 0 64 0 - 8.9-32.3 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.1-12.3 HB3 ARG 66 - HG2 ARG 84 far 0 64 0 - 9.3-30.6 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 9.5-17.3 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 9.7-12.0 HB3 ARG 66 - HG2 ARG 27 far 0 64 0 - 9.8-14.5 HB3 ARG 66 - HG3 ARG 27 far 0 62 0 - 9.9-14.5 HB2 LEU 64 - HG3 ARG 70 far 0 89 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.71, 1.61, 27.11 ppm; 2.40 A): 3 out of 29 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 49 57 100 87 2.3-3.0 3.0=54, 3379/1.8=15...(25) HB2 ARG 84 + HG2 ARG 84 OK 49 57 100 87 2.4-3.0 3.0=54, 3379/1.8=15...(25) HB3 LYS 83 - HG2 ARG 84 far 3 69 5 - 3.2-7.6 HB3 LYS 83 - HG3 ARG 84 far 3 69 5 - 3.3-7.6 HB3 LEU 64 - HG2 ARG 27 far 3 67 5 - 3.0-7.7 HB3 LEU 64 - HG3 ARG 27 far 0 65 0 - 3.7-7.6 HB2 ARG 82 - HG3 ARG 84 far 0 63 0 - 4.5-8.0 HB2 ARG 82 - HG2 ARG 84 far 0 63 0 - 4.5-8.2 HB3 LYS 85 - HG3 ARG 84 far 0 63 0 - 4.7-8.0 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-9.9 HB3 LYS 85 - HG2 ARG 84 far 0 63 0 - 5.4-7.6 HB3 LYS 85 - HG LEU 86 far 0 78 0 - 5.6-8.5 HB2 LEU 29 - HG3 ARG 17 far 0 97 0 - 5.8-21.8 HB2 LEU 29 - HG2 ARG 26 far 0 55 0 - 5.8-8.3 HB2 LEU 29 - HG2 ARG 17 far 0 97 0 - 5.8-21.7 HG3 ARG 66 - HG3 ARG 70 far 0 95 0 - 6.7-11.8 HG3 ARG 66 - HG3 ARG 84 far 0 64 0 - 7.0-34.3 HG3 ARG 66 - HG2 ARG 84 far 0 64 0 - 7.3-32.6 HB3 LYS 83 - HG LEU 86 far 0 84 0 - 7.3-13.7 HB2 LEU 29 - HG3 ARG 27 far 0 68 0 - 7.7-10.2 HB2 LEU 29 - HG2 ARG 27 far 0 70 0 - 7.7-10.3 HB3 LYS 13 - HG2 ARG 17 far 0 64 0 - 8.8-15.4 HG2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.1-14.8 HB2 ARG 82 - HG LEU 86 far 0 78 0 - 9.1-15.4 HG3 ARG 66 - HG2 ARG 27 far 0 64 0 - 9.2-15.4 HG2 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.3-15.7 HB3 LYS 13 - HG3 ARG 17 far 0 63 0 - 9.8-15.5 HB3 LEU 64 - HG3 ARG 70 far 0 97 0 - 9.8-13.9 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 16 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 2.3-3.0 3.0=100 HD3 ARG 71 - HG3 ARG 70 far 5 99 5 - 3.4-8.5 HD3 ARG 71 - HG3 ARG 27 far 0 69 0 - 5.0-12.5 HD3 ARG 66 - HG3 ARG 70 far 0 85 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 59 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 59 0 - 6.4-34.9 HD3 ARG 71 - HG2 ARG 27 far 0 71 0 - 6.5-12.2 HD2 ARG 66 - HG3 ARG 70 far 0 89 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 55 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 55 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 73 0 - 8.0-41.9 HD3 ARG 70 - HG3 ARG 27 far 0 71 0 - 8.7-16.4 HD3 ARG 66 - HG LEU 86 far 0 70 0 - 8.7-42.2 HD3 ARG 71 - HG2 ARG 26 far 0 57 0 - 9.2-16.8 HD3 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.4-17.4 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 21 assignments used, quality = 1.00: * HD3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 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 5 100 5 - 3.4-8.5 HD3 ARG 26 - HG2 ARG 27 far 0 37 0 - 4.3-10.5 HD3 ARG 71 - HG3 ARG 27 far 0 70 0 - 5.0-12.5 HD3 ARG 26 - HG3 ARG 27 far 0 35 0 - 5.5-10.2 HD3 ARG 66 - HG3 ARG 70 far 0 89 0 - 6.3-12.3 HD2 ARG 66 - HG2 ARG 84 far 0 62 0 - 6.3-33.1 HD2 ARG 66 - HG3 ARG 84 far 0 62 0 - 6.4-34.9 HD3 ARG 71 - HG2 ARG 27 far 0 72 0 - 6.5-12.2 HD2 ARG 66 - HG3 ARG 70 far 0 92 0 - 7.2-13.3 HD3 ARG 66 - HG3 ARG 84 far 0 59 0 - 7.8-33.5 HD3 ARG 66 - HG2 ARG 84 far 0 59 0 - 7.8-33.1 HD2 ARG 66 - HG LEU 86 far 0 77 0 - 8.0-41.9 HD3 ARG 26 - HG2 ARG 17 far 0 58 0 - 8.2-19.7 HD3 ARG 70 - HG3 ARG 27 far 0 71 0 - 8.7-16.4 HD3 ARG 66 - HG LEU 86 far 0 73 0 - 8.7-42.2 HD3 ARG 26 - HG3 ARG 17 far 0 58 0 - 9.1-20.4 HD3 ARG 71 - HG2 ARG 26 far 0 58 0 - 9.2-16.8 HD3 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (4.00, 3.21, 43.49 ppm; 4.62 A): 4 out of 13 assignments used, quality = 1.00: * HA ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-5.5 2844/3.0=79, 2845/3.0=78...(22) HA ARG 70 + HD3 ARG 70 OK 90 100 90 100 2.4-5.5 2844/3.0=79, 2845/3.0=78...(23) HA ARG 66 + HD2 ARG 66 OK 57 57 100 100 3.3-5.5 5.2=71, 2679/3.0=56...(49) HA ARG 66 + HD3 ARG 66 OK 51 53 95 100 3.3-5.5 5.2=71, 2679/3.0=56...(47) HA ARG 66 - HD2 ARG 70 far 11 71 15 - 4.9-9.5 HA ARG 66 - HD3 ARG 70 far 0 71 0 - 5.9-9.8 HB2 SER 22 - HD3 ARG 71 far 0 55 0 - 6.7-14.7 HA ARG 70 - HD3 ARG 71 far 0 58 0 - 6.8-8.2 HA ARG 70 - HD3 ARG 66 far 0 85 0 - 7.8-11.7 HA PHE 48 - HD2 ARG 66 far 0 52 0 - 8.2-14.2 HA PHE 48 - HD3 ARG 66 far 0 49 0 - 8.7-14.3 HA ARG 70 - HD2 ARG 66 far 0 89 0 - 8.8-12.0 HA ARG 66 - HD3 ARG 71 far 0 34 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.50 A): 6 out of 29 assignments used, quality = 1.00: HB3 ARG 70 + HD2 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 2.3-4.1 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.6-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 100 100 2.5-4.0 3.4=100 HB2 GLN 79 - HD2 ARG 70 far 5 96 5 - 3.9-22.5 HB3 ARG 66 - HD2 ARG 70 far 5 95 5 - 4.3-10.5 HB2 ARG 70 - HD3 ARG 71 far 0 58 0 - 4.7-8.8 HB3 ARG 70 - HD3 ARG 71 far 0 58 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 95 0 - 5.4-23.8 HB3 ARG 66 - HD3 ARG 70 far 0 94 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 6.0-13.2 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.8-12.4 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.3-9.8 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.6-9.8 HB2 GLN 79 - HD3 ARG 71 far 0 52 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 77 0 - 8.2-28.0 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 8.7-12.6 HB2 GLN 79 - HD2 ARG 66 far 0 81 0 - 8.9-27.7 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 9.1-11.8 HB VAL 41 - HD3 ARG 70 far 0 71 0 - 9.5-14.1 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.8-13.4 HB2 LEU 64 - HD2 ARG 70 far 0 89 0 - 9.9-14.8 HG LEU 57 - HD3 ARG 66 far 0 85 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 89 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.50 A): 6 out of 29 assignments used, quality = 1.00: * HB3 ARG 70 + HD2 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 2.3-4.1 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.6-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 100 100 2.5-4.0 3.4=100 HB2 GLN 79 - HD2 ARG 70 far 5 96 5 - 3.9-22.5 HB3 ARG 66 - HD2 ARG 70 far 5 95 5 - 4.3-10.5 HB2 ARG 70 - HD3 ARG 71 far 0 58 0 - 4.7-8.8 HB3 ARG 70 - HD3 ARG 71 far 0 58 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 95 0 - 5.4-23.8 HB3 ARG 66 - HD3 ARG 70 far 0 94 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 6.0-13.2 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.8-12.4 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.3-9.8 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.6-9.8 HB2 GLN 79 - HD3 ARG 71 far 0 52 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 77 0 - 8.2-28.0 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 8.7-12.6 HB2 GLN 79 - HD2 ARG 66 far 0 81 0 - 8.9-27.7 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 9.1-11.8 HB VAL 41 - HD3 ARG 70 far 0 71 0 - 9.5-14.1 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.8-13.4 HB2 LEU 64 - HD2 ARG 70 far 0 89 0 - 9.9-14.8 HG LEU 57 - HD3 ARG 66 far 0 85 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 89 0 - 10.0-13.4 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 22 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 2.3-3.0 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 9 58 15 - 3.7-8.3 HB2 ARG 84 - HD2 ARG 66 far 0 71 0 - 4.4-34.2 HB2 ARG 84 - HD3 ARG 66 far 0 68 0 - 5.5-34.5 HG2 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.6-13.2 HG3 ARG 66 - HD2 ARG 70 far 0 95 0 - 5.6-12.4 HG2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.6-12.2 HG3 ARG 66 - HD3 ARG 70 far 0 94 0 - 6.7-12.4 HB3 LEU 64 - HD2 ARG 66 far 0 82 0 - 7.5-10.6 HB3 LEU 64 - HD3 ARG 71 far 0 53 0 - 7.6-11.8 HB3 LEU 64 - HD3 ARG 66 far 0 78 0 - 8.0-10.5 HB3 LYS 83 - HD2 ARG 70 far 0 98 0 - 8.0-28.3 HB3 LYS 83 - HD3 ARG 70 far 0 98 0 - 8.4-29.7 HB2 ARG 84 - HD3 ARG 70 far 0 87 0 - 8.9-32.6 HB3 LEU 64 - HD2 ARG 70 far 0 97 0 - 9.3-14.5 HB3 LEU 64 - HD3 ARG 70 far 0 96 0 - 9.4-14.7 HG3 ARG 66 - HD3 ARG 71 far 0 51 0 - 9.4-12.9 HB2 ARG 84 - HD2 ARG 70 far 0 87 0 - 9.5-31.8 HB3 LYS 83 - HD2 ARG 66 far 0 84 0 - 10.0-32.1 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 34 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 2.3-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 56 56 100 100 2.3-3.0 3.0=100 HB3 LEU 62 - HD3 ARG 66 far 6 56 10 - 3.1-6.7 HG2 ARG 71 - HD3 ARG 70 far 5 99 5 - 3.7-8.1 HB3 LEU 62 - HD2 ARG 66 far 3 59 5 - 3.5-6.8 HG3 ARG 70 - HD3 ARG 71 far 3 58 5 - 3.4-8.5 HG2 ARG 71 - HD2 ARG 70 far 0 99 0 - 4.2-8.3 HG3 ARG 27 - HD3 ARG 71 far 0 42 0 - 5.0-12.5 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 5.1-12.6 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.0-13.0 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.2-12.8 HG3 ARG 70 - HD3 ARG 66 far 0 85 0 - 6.3-12.3 HG2 ARG 84 - HD2 ARG 66 far 0 69 0 - 6.3-33.1 HG3 ARG 84 - HD2 ARG 66 far 0 69 0 - 6.4-34.9 HG2 ARG 27 - HD3 ARG 71 far 0 43 0 - 6.5-12.2 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.7-12.2 HB2 LEU 86 - HD2 ARG 66 far 0 88 0 - 6.8-39.6 HG3 ARG 70 - HD2 ARG 66 far 0 89 0 - 7.2-13.3 HG3 ARG 84 - HD3 ARG 66 far 0 66 0 - 7.8-33.5 HG2 ARG 84 - HD3 ARG 66 far 0 66 0 - 7.8-33.1 HB2 LEU 86 - HD3 ARG 66 far 0 85 0 - 7.9-39.8 HG LEU 86 - HD2 ARG 66 far 0 78 0 - 8.0-41.9 HG2 ARG 71 - HD2 ARG 66 far 0 86 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 80 0 - 8.6-14.1 HG3 ARG 27 - HD3 ARG 70 far 0 83 0 - 8.7-16.4 HG LEU 86 - HD3 ARG 66 far 0 74 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 76 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 82 0 - 8.8-13.7 HG2 ARG 26 - HD3 ARG 71 far 0 55 0 - 9.2-16.8 HG2 ARG 27 - HD3 ARG 70 far 0 85 0 - 9.4-17.4 HD3 LYS 73 - HD3 ARG 71 far 0 58 0 - 9.4-13.7 HB3 LEU 62 - HD2 ARG 70 far 0 73 0 - 9.7-16.2 HD2 LYS 73 - HD3 ARG 71 far 0 58 0 - 9.8-14.0 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; 4.62 A): 4 out of 14 assignments used, quality = 1.00: HA ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-5.5 2844/3.0=79, 2845/3.0=78...(22) * HA ARG 70 + HD3 ARG 70 OK 90 100 90 100 2.4-5.5 2844/3.0=79, 2845/3.0=78...(23) HA ARG 66 + HD2 ARG 66 OK 60 60 100 100 3.3-5.5 5.2=71, 2679/3.0=56...(49) HA ARG 66 + HD3 ARG 66 OK 54 57 95 100 3.3-5.5 5.2=71, 2679/3.0=56...(47) HA ARG 66 - HD2 ARG 70 far 11 71 15 - 4.9-9.5 HB2 SER 22 - HD3 ARG 26 far 1 27 5 - 5.4-10.0 HA ARG 66 - HD3 ARG 70 far 0 71 0 - 5.9-9.8 HB2 SER 22 - HD3 ARG 71 far 0 55 0 - 6.7-14.7 HA ARG 70 - HD3 ARG 71 far 0 59 0 - 6.8-8.2 HA ARG 70 - HD3 ARG 66 far 0 89 0 - 7.8-11.7 HA PHE 48 - HD2 ARG 66 far 0 55 0 - 8.2-14.2 HA PHE 48 - HD3 ARG 66 far 0 52 0 - 8.7-14.3 HA ARG 70 - HD2 ARG 66 far 0 92 0 - 8.8-12.0 HA ARG 66 - HD3 ARG 71 far 0 35 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2890 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.50 A): 6 out of 30 assignments used, quality = 1.00: HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 * HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 ARG 70 + HD2 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 2.3-4.1 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.6-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 100 100 2.5-4.0 3.4=100 HB2 GLN 79 - HD2 ARG 70 far 5 95 5 - 3.9-22.5 HB3 ARG 66 - HD2 ARG 70 far 5 94 5 - 4.3-10.5 HB2 ARG 70 - HD3 ARG 71 far 0 59 0 - 4.7-8.8 HB3 ARG 70 - HD3 ARG 71 far 0 59 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 96 0 - 5.4-23.8 HB3 ARG 66 - HD3 ARG 70 far 0 95 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 6.0-13.2 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.8-12.4 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.3-9.8 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.6-9.8 HB2 GLN 79 - HD3 ARG 71 far 0 53 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 81 0 - 8.2-28.0 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 8.7-12.6 HB2 MET 31 - HD3 ARG 26 far 0 21 0 - 8.7-13.0 HB2 GLN 79 - HD2 ARG 66 far 0 84 0 - 8.9-27.7 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 9.1-11.8 HB VAL 41 - HD3 ARG 70 far 0 71 0 - 9.5-14.1 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.8-13.4 HB2 LEU 64 - HD2 ARG 70 far 0 88 0 - 9.9-14.8 HG LEU 57 - HD3 ARG 66 far 0 89 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 92 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.50 A): 6 out of 30 assignments used, quality = 1.00: * HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.9 3.5=100 HB3 ARG 70 + HD2 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 2.3-4.1 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.6-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 100 100 2.5-4.0 3.4=100 HB2 GLN 79 - HD2 ARG 70 far 5 95 5 - 3.9-22.5 HB3 ARG 66 - HD2 ARG 70 far 5 94 5 - 4.3-10.5 HB2 ARG 70 - HD3 ARG 71 far 0 59 0 - 4.7-8.8 HB3 ARG 70 - HD3 ARG 71 far 0 59 0 - 5.3-8.6 HB2 GLN 79 - HD3 ARG 70 far 0 96 0 - 5.4-23.8 HB3 ARG 66 - HD3 ARG 70 far 0 95 0 - 5.4-10.4 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.7-11.3 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.9-12.0 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 6.0-13.2 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.6-10.7 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.8-12.4 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.3-9.8 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.6-9.8 HB2 GLN 79 - HD3 ARG 71 far 0 53 0 - 8.0-26.8 HB2 GLN 79 - HD3 ARG 66 far 0 81 0 - 8.2-28.0 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 8.7-12.6 HB2 MET 31 - HD3 ARG 26 far 0 21 0 - 8.7-13.0 HB2 GLN 79 - HD2 ARG 66 far 0 84 0 - 8.9-27.7 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 9.1-11.8 HB VAL 41 - HD3 ARG 70 far 0 71 0 - 9.5-14.1 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.8-13.4 HB2 LEU 64 - HD2 ARG 70 far 0 88 0 - 9.9-14.8 HG LEU 57 - HD3 ARG 66 far 0 89 0 - 10.0-13.7 HG LEU 57 - HD2 ARG 66 far 0 92 0 - 10.0-13.4 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 23 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 2.3-3.0 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 9 59 15 - 3.7-8.3 HB2 ARG 84 - HD2 ARG 66 far 0 75 0 - 4.4-34.2 HB2 LEU 29 - HD3 ARG 26 far 0 27 0 - 5.4-8.6 HB2 ARG 84 - HD3 ARG 66 far 0 71 0 - 5.5-34.5 HG2 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.6-13.2 HG3 ARG 66 - HD2 ARG 70 far 0 94 0 - 5.6-12.4 HG2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.6-12.2 HG3 ARG 66 - HD3 ARG 70 far 0 95 0 - 6.7-12.4 HB3 LEU 64 - HD2 ARG 66 far 0 86 0 - 7.5-10.6 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 7.6-11.8 HB3 LEU 64 - HD3 ARG 66 far 0 82 0 - 8.0-10.5 HB3 LYS 83 - HD2 ARG 70 far 0 98 0 - 8.0-28.3 HB3 LYS 83 - HD3 ARG 70 far 0 98 0 - 8.4-29.7 HB2 ARG 84 - HD3 ARG 70 far 0 87 0 - 8.9-32.6 HB3 LEU 64 - HD2 ARG 70 far 0 96 0 - 9.3-14.5 HB3 LEU 64 - HD3 ARG 70 far 0 97 0 - 9.4-14.7 HG3 ARG 66 - HD3 ARG 71 far 0 52 0 - 9.4-12.9 HB2 ARG 84 - HD2 ARG 70 far 0 87 0 - 9.5-31.8 HB3 LYS 83 - HD2 ARG 66 far 0 88 0 - 10.0-32.1 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 39 assignments used, quality = 1.00: * HG3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.0 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 - HD3 ARG 66 far 6 59 10 - 3.1-6.7 HG2 ARG 71 - HD3 ARG 70 far 5 99 5 - 3.7-8.1 HB3 LEU 62 - HD2 ARG 66 far 3 62 5 - 3.5-6.8 HG3 ARG 70 - HD3 ARG 71 far 3 59 5 - 3.4-8.5 HG2 ARG 71 - HD2 ARG 70 far 0 99 0 - 4.2-8.3 HG2 ARG 27 - HD3 ARG 26 far 0 21 0 - 4.3-10.5 HG3 ARG 27 - HD3 ARG 71 far 0 42 0 - 5.0-12.5 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 5.1-12.6 HG3 ARG 27 - HD3 ARG 26 far 0 20 0 - 5.5-10.2 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.0-13.0 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.2-12.8 HG3 ARG 70 - HD3 ARG 66 far 0 89 0 - 6.3-12.3 HG2 ARG 84 - HD2 ARG 66 far 0 73 0 - 6.3-33.1 HG3 ARG 84 - HD2 ARG 66 far 0 73 0 - 6.4-34.9 HG2 ARG 27 - HD3 ARG 71 far 0 44 0 - 6.5-12.2 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.7-12.2 HB2 LEU 86 - HD2 ARG 66 far 0 92 0 - 6.8-39.6 HG3 ARG 70 - HD2 ARG 66 far 0 92 0 - 7.2-13.3 HG3 ARG 84 - HD3 ARG 66 far 0 69 0 - 7.8-33.5 HG2 ARG 84 - HD3 ARG 66 far 0 69 0 - 7.8-33.1 HB2 LEU 86 - HD3 ARG 66 far 0 88 0 - 7.9-39.8 HG LEU 86 - HD2 ARG 66 far 0 82 0 - 8.0-41.9 HG2 ARG 17 - HD3 ARG 26 far 0 28 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 89 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 83 0 - 8.6-14.1 HG3 ARG 27 - HD3 ARG 70 far 0 83 0 - 8.7-16.4 HG LEU 86 - HD3 ARG 66 far 0 78 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 80 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 86 0 - 8.8-13.7 HG3 ARG 17 - HD3 ARG 26 far 0 28 0 - 9.1-20.4 HG2 ARG 26 - HD3 ARG 71 far 0 55 0 - 9.2-16.8 HG2 ARG 27 - HD3 ARG 70 far 0 85 0 - 9.4-17.4 HD3 LYS 73 - HD3 ARG 71 far 0 59 0 - 9.4-13.7 HB3 LEU 62 - HD2 ARG 70 far 0 73 0 - 9.7-16.2 HD2 LYS 73 - HD3 ARG 71 far 0 59 0 - 9.8-14.0 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): 3 out of 6 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 2.8-2.9 3.0=100 H ARG 26 + HA GLU 25 OK 56 61 100 93 3.4-3.6 3.6=76, 904/2.9=29...(8) H LYS 75 - HA ARG 71 far 0 92 0 - 5.2-8.8 H ARG 26 - HA ARG 71 far 0 71 0 - 9.4-15.9 H ARG 71 - HA GLU 25 far 0 93 0 - 9.4-13.3 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 26 assignments used, quality = 1.00: * HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.3-3.0 3.0=90, 3.5/2937=26...(24) HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-2.6 3.0=90, 3.5/2937=26...(24) HB2 ARG 26 + HA ARG 26 OK 53 53 100 99 2.4-3.0 3.0=91, 3.0/2901=21...(29) HB3 ARG 26 + HA ARG 26 OK 50 51 100 99 2.4-2.6 3.0=91, 3.0/2901=21...(30) HB2 ARG 27 - HA GLU 25 far 0 93 0 - 4.5-5.6 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 4.9-7.2 HB3 ARG 23 - HA ARG 71 far 0 100 0 - 5.2-13.7 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-6.0 HB2 ARG 26 - HA GLU 25 far 0 56 0 - 5.6-6.6 HB3 ARG 26 - HA GLU 25 far 0 53 0 - 5.8-6.6 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 6.0-11.6 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 6.0-6.6 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 6.1-13.6 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 6.8-9.0 HB3 ARG 23 - HA GLU 25 far 0 92 0 - 7.2-8.7 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 7.3-11.6 HB3 ARG 23 - HA ARG 26 far 0 89 0 - 7.3-8.7 HB2 ARG 23 - HA GLU 25 far 0 91 0 - 7.4-8.6 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 7.7-12.4 HB2 ARG 17 - HA ARG 26 far 0 81 0 - 8.9-18.4 HB2 LYS 39 - HA GLU 25 far 0 93 0 - 9.0-12.0 HB2 ARG 66 - HA ARG 71 far 0 76 0 - 9.2-11.6 HB2 ARG 17 - HA GLU 25 far 0 84 0 - 9.3-15.8 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 9.4-12.9 HB3 ARG 71 - HA ARG 26 far 0 90 0 - 9.8-15.6 HB2 ARG 26 - HA ARG 71 far 0 65 0 - 9.9-16.6 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 26 assignments used, quality = 1.00: HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.3-3.0 3.0=90, 3.5/2937=26...(24) * HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-2.6 3.0=90, 3.5/2937=26...(24) HB2 ARG 26 + HA ARG 26 OK 55 56 100 99 2.4-3.0 3.0=91, 3.0/2901=21...(29) HB3 ARG 26 + HA ARG 26 OK 53 53 100 99 2.4-2.6 3.0=91, 3.0/2901=21...(30) HB2 ARG 27 - HA GLU 25 far 0 93 0 - 4.5-5.6 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 4.9-7.2 HB3 ARG 23 - HA ARG 71 far 0 99 0 - 5.2-13.7 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-6.0 HB2 ARG 26 - HA GLU 25 far 0 58 0 - 5.6-6.6 HB3 ARG 26 - HA GLU 25 far 0 56 0 - 5.8-6.6 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 6.0-11.6 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 6.0-6.6 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 6.1-13.6 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 6.8-9.0 HB3 ARG 23 - HA GLU 25 far 0 91 0 - 7.2-8.7 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 7.3-11.6 HB3 ARG 23 - HA ARG 26 far 0 88 0 - 7.3-8.7 HB2 ARG 23 - HA GLU 25 far 0 90 0 - 7.4-8.6 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 7.7-12.4 HB2 ARG 17 - HA ARG 26 far 0 80 0 - 8.9-18.4 HB2 LYS 39 - HA GLU 25 far 0 93 0 - 9.0-12.0 HB2 ARG 66 - HA ARG 71 far 0 78 0 - 9.2-11.6 HB2 ARG 17 - HA GLU 25 far 0 83 0 - 9.3-15.8 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 9.4-12.9 HB3 ARG 71 - HA ARG 26 far 0 90 0 - 9.8-15.6 HB2 ARG 26 - HA ARG 71 far 0 68 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.62, 4.08, 58.40 ppm; 3.04 A): 3 out of 15 assignments used, quality = 1.00: * HG2 ARG 71 + HA ARG 71 OK 98 100 100 98 2.4-3.8 3.8=51, 3.0/2937=33...(26) HG2 ARG 26 + HA ARG 26 OK 82 90 95 96 2.3-4.1 3.7=57, 1.8/2901=32...(32) HG3 ARG 70 + HA ARG 71 OK 31 99 40 78 3.2-6.6 2873/4.7=21, ~307=21...(16) HG3 ARG 27 - HA GLU 25 far 0 84 0 - 4.9-7.7 HG2 ARG 27 - HA GLU 25 far 0 86 0 - 5.1-7.8 HG2 ARG 27 - HA ARG 26 far 0 83 0 - 5.2-7.8 HG3 ARG 27 - HA ARG 26 far 0 81 0 - 5.3-7.2 HG2 ARG 26 - HA GLU 25 far 0 93 0 - 5.5-6.7 HD3 LYS 73 - HA ARG 71 far 0 98 0 - 7.4-10.3 HG2 ARG 71 - HA GLU 25 far 0 93 0 - 7.4-13.7 HG2 ARG 17 - HA ARG 26 far 0 90 0 - 7.5-19.4 HD2 LYS 73 - HA ARG 71 far 0 98 0 - 7.9-10.5 HG3 ARG 17 - HA ARG 26 far 0 90 0 - 8.2-19.8 HG2 ARG 71 - HA ARG 26 far 0 90 0 - 9.2-16.6 HG3 ARG 27 - HA ARG 71 far 0 95 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 2901 from cnoeabs.peaks (1.75, 4.08, 58.40 ppm; 3.26 A): 2 out of 11 assignments used, quality = 0.98: HG3 ARG 26 + HA ARG 26 OK 88 90 100 98 2.4-3.7 3.7=70, 530/3.0=38...(42) * HG3 ARG 71 + HA ARG 71 OK 84 100 85 99 2.6-4.2 3.8=62, 779/2.9=47...(34) HG3 ARG 26 - HA GLU 25 far 0 92 0 - 5.3-6.8 HB3 LYS 73 - HA ARG 71 far 0 68 0 - 6.1-7.5 HB ILE 33 - HA GLU 25 far 0 78 0 - 6.2-8.3 HG3 ARG 71 - HA GLU 25 far 0 93 0 - 7.1-13.1 HB ILE 33 - HA ARG 26 far 0 75 0 - 8.0-10.4 HB3 ARG 17 - HA ARG 26 far 0 87 0 - 8.2-17.7 HB3 ARG 17 - HA GLU 25 far 0 90 0 - 8.5-15.6 HG3 ARG 26 - HA ARG 71 far 0 100 0 - 9.8-18.4 HB2 LYS 32 - HA ARG 26 far 0 65 0 - 10.0-12.4 Violated in 2 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (3.14, 4.08, 58.40 ppm; 4.42 A): 1 out of 17 assignments used, quality = 1.00: * HD2 ARG 71 + HA ARG 71 OK 100 100 100 100 2.0-4.1 2937=100, 3.0/2901=41...(35) HD3 ARG 27 - HA ARG 26 far 0 49 0 - 5.8-9.0 HD2 ARG 27 - HA ARG 26 far 0 49 0 - 5.8-8.1 HD2 ARG 27 - HA GLU 25 far 0 51 0 - 6.0-9.0 HD2 ARG 71 - HA GLU 25 far 0 93 0 - 6.6-14.3 HD3 ARG 23 - HA ARG 26 far 0 58 0 - 6.7-11.0 HD3 ARG 27 - HA GLU 25 far 0 51 0 - 6.9-8.9 HD2 ARG 23 - HA ARG 26 far 0 58 0 - 7.0-10.6 HD2 ARG 23 - HA ARG 71 far 0 71 0 - 7.7-16.0 HD3 ARG 23 - HA ARG 71 far 0 71 0 - 7.8-14.8 HD3 ARG 23 - HA GLU 25 far 0 61 0 - 7.9-11.0 HD2 ARG 23 - HA GLU 25 far 0 61 0 - 8.2-10.8 HD2 ARG 17 - HA ARG 26 far 0 69 0 - 9.3-21.5 HD3 ARG 17 - HA ARG 26 far 0 69 0 - 9.6-20.5 HD2 ARG 27 - HA ARG 71 far 0 60 0 - 9.6-15.0 HD2 ARG 17 - HA GLU 25 far 0 72 0 - 9.9-19.2 HD3 ARG 17 - HA GLU 25 far 0 72 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (3.20, 4.08, 58.40 ppm; 4.25 A): 3 out of 9 assignments used, quality = 0.98: * HD3 ARG 71 + HA ARG 71 OK 90 100 90 100 2.6-5.2 1.8/2937=82, 4.7=76...(42) HD3 ARG 26 + HA ARG 26 OK 58 58 100 100 2.7-4.6 4.8=70, 3.0/2901=41...(57) HD2 ARG 26 + HA ARG 26 OK 56 56 100 100 3.2-5.0 4.8=70, 3.0/2901=41...(57) HD3 ARG 70 - HA ARG 71 far 5 100 5 - 5.1-7.2 HD2 ARG 70 - HA ARG 71 far 5 99 5 - 4.9-7.8 HD3 ARG 71 - HA GLU 25 far 0 93 0 - 6.2-14.5 HD3 ARG 26 - HA GLU 25 far 0 61 0 - 6.6-8.3 HD2 ARG 26 - HA GLU 25 far 0 58 0 - 7.6-8.2 HD3 ARG 71 - HA ARG 26 far 0 90 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.74 A): 5 out of 18 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.6 4.0=82, 779/2.8=63...(19) H ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-3.6 4.0=82, 779/2.8=63...(17) H ARG 26 + HB2 ARG 26 OK 30 30 100 99 2.3-3.6 3.9=88, 530/3.0=35...(22) H ARG 26 + HB3 ARG 26 OK 28 28 100 99 2.4-3.6 3.9=88, 530/3.0=35...(19) H ARG 26 + HB2 ARG 27 OK 21 71 50 59 4.5-5.2 5380/4.1=40...(6) H ARG 26 - HB2 ARG 23 far 0 48 0 - 4.7-6.4 H ARG 26 - HB3 ARG 23 far 0 49 0 - 5.1-6.1 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.5-6.3 H LYS 75 - HB2 ARG 71 far 0 92 0 - 6.3-11.0 H ARG 71 - HB3 ARG 23 far 0 79 0 - 6.5-14.3 H ARG 71 - HB2 ARG 66 far 0 55 0 - 6.8-8.9 H LYS 75 - HB3 ARG 71 far 0 92 0 - 6.9-11.0 H ARG 26 - HB3 ARG 71 far 0 71 0 - 7.0-13.6 H ARG 26 - HB2 ARG 71 far 0 71 0 - 7.5-13.0 H ARG 71 - HB2 ARG 23 far 0 79 0 - 7.9-13.9 H ARG 71 - HB2 ARG 27 far 0 100 0 - 9.2-11.7 H ARG 71 - HB3 ARG 27 far 0 100 0 - 9.3-12.3 H LYS 75 - HB2 ARG 66 far 0 46 0 - 9.7-15.8 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 27 assignments used, quality = 1.00: * HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-2.6 3.0=100 HA ARG 26 + HB2 ARG 26 OK 49 49 100 100 2.4-3.0 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 - 4.4-5.3 HA GLU 25 - HB2 ARG 27 far 0 94 0 - 4.5-5.6 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 4.9-7.2 HA ARG 71 - HB3 ARG 23 far 0 79 0 - 5.2-13.7 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-6.0 HA GLU 25 - HB2 ARG 26 far 0 44 0 - 5.6-6.6 HA GLU 25 - HB3 ARG 26 far 0 42 0 - 5.8-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 79 0 - 6.1-13.6 HA ARG 26 - HB2 ARG 23 far 0 76 0 - 6.8-9.0 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.2-8.7 HA GLU 25 - HB2 ARG 71 far 0 95 0 - 7.3-11.6 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 7.3-8.7 HA GLU 25 - HB2 ARG 23 far 0 70 0 - 7.4-8.6 HA GLU 25 - HB3 ARG 71 far 0 94 0 - 7.7-12.4 HA ALA 63 - HB3 ARG 27 far 0 93 0 - 8.8-11.0 HA ARG 26 - HB2 ARG 17 far 0 50 0 - 8.9-18.4 HA ARG 71 - HB2 ARG 66 far 0 55 0 - 9.2-11.6 HA GLU 25 - HB2 ARG 17 far 0 45 0 - 9.3-15.8 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 9.4-12.9 HA ARG 26 - HB3 ARG 71 far 0 99 0 - 9.8-15.6 HA ARG 71 - HB2 ARG 26 far 0 51 0 - 9.9-16.6 HA ALA 63 - HB2 ARG 27 far 0 93 0 - 9.9-12.0 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 60 assignments used, quality = 1.00: * HG2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.2-3.0 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, 1418/3.0=15...(66) HG2 ARG 27 + HB3 ARG 27 OK 95 95 100 99 2.2-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 27 + HB2 ARG 27 OK 94 94 100 99 2.3-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 27 + HB3 ARG 27 OK 94 94 100 99 2.4-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 17 + HB2 ARG 17 OK 51 52 100 99 2.3-3.0 2.9=90, 1181/1.8=22...(33) HG2 ARG 17 + HB2 ARG 17 OK 51 52 100 99 2.4-3.0 2.9=90, 1181/1.8=22...(33) HG2 ARG 26 + HB2 ARG 26 OK 50 51 100 98 2.2-3.0 3.0=88, 529/3.9=20...(42) HG2 ARG 26 + HB3 ARG 26 OK 48 49 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 70 - HB3 ARG 71 poor 20 99 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 11 45 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 7 44 15 - 3.3-6.8 HG2 ARG 71 - HB3 ARG 23 far 4 79 5 - 3.5-12.7 HG2 ARG 27 - HB2 ARG 23 far 4 71 5 - 3.5-10.5 HG3 ARG 27 - HB3 ARG 23 far 4 70 5 - 3.6-11.0 HG3 ARG 27 - HB2 ARG 23 far 3 70 5 - 3.7-10.4 HG2 ARG 27 - HB3 ARG 26 far 0 43 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 99 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 53 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 42 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 79 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 49 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 76 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 47 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 51 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 95 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 94 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 55 0 - 7.4-11.2 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.8-11.4 HG3 ARG 84 - HB2 ARG 66 far 0 31 0 - 7.8-31.7 HG2 ARG 17 - HB3 PRO 34 far 0 51 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 8.0-11.7 HD3 LYS 32 - HB2 ARG 17 far 0 50 0 - 8.1-26.3 HG3 ARG 70 - HB2 ARG 23 far 0 76 0 - 8.2-18.6 HG3 ARG 17 - HB3 PRO 34 far 0 51 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.4-11.5 HD2 LYS 32 - HB2 ARG 17 far 0 48 0 - 8.4-27.7 HG2 ARG 84 - HB2 ARG 66 far 0 31 0 - 8.5-30.1 HG2 ARG 26 - HB3 ARG 71 far 0 100 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 49 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 49 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 100 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 99 0 - 9.4-15.1 HG2 ARG 26 - HB2 ARG 17 far 0 52 0 - 9.5-17.6 HG3 ARG 17 - HB3 ARG 26 far 0 49 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 51 0 - 9.5-13.7 HB3 LEU 51 - HB2 ARG 66 far 0 39 0 - 9.9-12.3 HB3 LEU 51 - HB3 PRO 34 far 0 36 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2909 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 7 out of 41 assignments used, quality = 1.00: * HG3 ARG 71 + HB2 ARG 71 OK 89 100 100 89 2.2-3.0 2.8=63, 779/4.0=17...(23) HG3 ARG 71 + HB3 ARG 71 OK 89 100 100 89 2.2-3.0 2.8=63, 779/4.0=17...(23) HB3 ARG 17 + HB2 ARG 17 OK 49 49 100 100 1.8-1.8 1.8=100 HG2 PRO 34 + HB3 PRO 34 OK 48 48 100 100 2.3-2.7 2.3=100 HG3 ARG 26 + HB2 ARG 26 OK 44 51 100 86 2.2-2.9 3.0=53, 1390/3.9=14...(35) HG3 ARG 26 + HB3 ARG 26 OK 41 49 100 85 2.7-3.0 3.0=53, 1390/3.9=14...(34) HB2 PRO 34 + HB3 PRO 34 OK 25 25 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB2 ARG 23 far 0 78 0 - 3.5-7.8 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 3.7-7.3 HG3 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.2-7.9 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.9-8.0 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.0-12.6 HB ILE 33 - HB2 ARG 17 far 0 41 0 - 5.9-21.9 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 5.9-10.8 HB3 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.0-8.2 HB2 ARG 84 - HB2 ARG 66 far 0 32 0 - 6.1-31.5 HB2 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.3-9.5 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.3-11.4 HG3 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.6-12.7 HB ILE 33 - HB3 PRO 34 far 0 40 0 - 6.6-6.9 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 6.9-8.9 HB3 LYS 32 - HB2 ARG 17 far 0 34 0 - 7.3-26.6 HB2 LEU 62 - HB2 ARG 66 far 0 54 0 - 7.4-8.8 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 7.5-9.2 HB2 LEU 57 - HB3 PRO 34 far 0 42 0 - 7.6-8.5 HG3 ARG 26 - HB3 ARG 71 far 0 100 0 - 7.8-16.0 HG3 ARG 71 - HB2 ARG 66 far 0 55 0 - 7.9-10.0 HB2 ARG 54 - HB3 PRO 34 far 0 43 0 - 8.0-10.2 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 8.2-8.9 HB3 ARG 17 - HB2 ARG 26 far 0 49 0 - 8.3-18.8 HB2 PRO 34 - HB2 ARG 17 far 0 26 0 - 8.5-27.5 HG3 ARG 71 - HB2 ARG 26 far 0 51 0 - 8.7-14.2 HG3 ARG 26 - HB2 ARG 71 far 0 100 0 - 8.8-15.5 HB2 LYS 32 - HB2 ARG 17 far 0 34 0 - 8.9-26.8 HB3 ARG 17 - HB3 ARG 26 far 0 46 0 - 9.1-19.4 HB3 LYS 73 - HB2 ARG 66 far 0 31 0 - 9.2-13.2 HB2 LYS 32 - HB3 ARG 27 far 0 78 0 - 9.3-10.8 HB ILE 33 - HB3 ARG 26 far 0 38 0 - 9.8-12.0 HG3 ARG 26 - HB2 ARG 17 far 0 52 0 - 9.9-17.3 HG2 PRO 34 - HB2 ARG 17 far 0 49 0 - 9.9-27.9 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 48 assignments used, quality = 1.00: HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.0-3.8 3.5=100 * HD2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.8 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.2-4.1 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.3-4.2 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.1 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 49 49 100 100 2.1-3.9 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 49 49 100 100 2.1-3.9 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.1-3.9 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.6-4.1 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 37 37 100 100 2.1-3.8 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 37 37 100 100 2.2-4.2 3.6=100 HD3 ARG 27 - HB2 ARG 26 poor 7 24 30 - 3.8-7.8 HD3 ARG 27 - HB2 ARG 23 far 4 40 10 - 3.5-10.2 HD2 ARG 71 - HB3 ARG 23 far 4 79 5 - 4.5-12.4 HD3 ARG 23 - HB2 ARG 26 far 3 30 10 - 3.9-8.5 HD2 ARG 27 - HB2 ARG 23 far 2 40 5 - 4.1-9.8 HD2 ARG 23 - HB2 ARG 26 far 1 30 5 - 4.5-8.1 HD3 ARG 27 - HB3 ARG 26 far 1 23 5 - 4.0-8.7 HD2 ARG 27 - HB3 ARG 26 far 1 23 5 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 24 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 41 0 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 23 far 0 79 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 41 0 - 4.9-10.1 HD3 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.3-10.7 HD2 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.6-10.9 HD2 ARG 84 - HB2 ARG 66 far 0 53 0 - 5.6-32.2 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.3-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 8.3-12.1 HB2 PHE 48 - HB2 ARG 66 far 0 44 0 - 8.3-10.2 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 51 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 36 0 - 9.3-21.2 HD3 ARG 17 - HB3 PRO 34 far 0 36 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 36 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 55 0 - 10.0-12.5 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 35 assignments used, quality = 1.00: * HD3 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.0-3.7 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 48 48 100 100 2.0-3.6 3.4=100 HD3 ARG 26 + HB2 ARG 26 OK 30 30 100 100 2.0-4.1 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 28 28 100 100 2.7-4.0 3.5=100 HD3 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.0-3.5 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 27 27 100 100 2.1-4.1 3.5=100 HD3 ARG 70 - HB3 ARG 71 far 10 100 10 - 4.3-9.0 HD2 ARG 70 - HB2 ARG 66 far 8 53 15 - 4.0-9.8 HD2 ARG 70 - HB3 ARG 71 far 5 99 5 - 4.3-9.6 HD3 ARG 71 - HB3 ARG 23 far 4 79 5 - 3.6-12.3 HD2 ARG 26 - HB2 ARG 23 far 2 46 5 - 3.9-8.7 HD2 ARG 26 - HB3 ARG 23 far 0 47 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 48 0 - 4.8-9.3 HD3 ARG 70 - HB2 ARG 66 far 0 54 0 - 4.9-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 68 0 - 5.0-9.1 HD3 ARG 71 - HB2 ARG 23 far 0 79 0 - 5.1-12.7 HD3 ARG 26 - HB3 ARG 23 far 0 49 0 - 5.4-9.3 HD3 ARG 71 - HB2 ARG 27 far 0 100 0 - 5.5-12.1 HD2 ARG 26 - HB3 ARG 27 far 0 68 0 - 5.6-9.8 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.7-8.5 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 5.9-8.8 HD3 ARG 26 - HB2 ARG 27 far 0 71 0 - 5.9-9.3 HD3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 71 0 - 6.5-9.8 HD3 ARG 70 - HB3 ARG 23 far 0 78 0 - 7.1-19.3 HD3 ARG 71 - HB2 ARG 26 far 0 51 0 - 7.8-15.7 HD3 ARG 70 - HB2 ARG 23 far 0 78 0 - 8.5-18.9 HD2 ARG 70 - HB3 ARG 23 far 0 77 0 - 8.7-18.2 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 100 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 49 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 55 0 - 9.5-11.7 HD3 ARG 26 - HB2 ARG 17 far 0 30 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.74 A): 5 out of 18 assignments used, quality = 1.00: H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.6 4.0=82, 779/2.8=63...(19) * H ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-3.6 4.0=82, 779/2.8=63...(17) H ARG 26 + HB2 ARG 26 OK 31 31 100 99 2.3-3.6 3.9=88, 530/3.0=35...(22) H ARG 26 + HB3 ARG 26 OK 30 30 100 99 2.4-3.6 3.9=88, 530/3.0=35...(19) H ARG 26 + HB2 ARG 27 OK 21 71 50 59 4.5-5.2 5380/4.1=40...(6) H ARG 26 - HB2 ARG 23 far 0 48 0 - 4.7-6.4 H ARG 26 - HB3 ARG 23 far 0 48 0 - 5.1-6.1 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.5-6.3 H LYS 75 - HB2 ARG 71 far 0 92 0 - 6.3-11.0 H ARG 71 - HB3 ARG 23 far 0 79 0 - 6.5-14.3 H ARG 71 - HB2 ARG 66 far 0 57 0 - 6.8-8.9 H LYS 75 - HB3 ARG 71 far 0 92 0 - 6.9-11.0 H ARG 26 - HB3 ARG 71 far 0 71 0 - 7.0-13.6 H ARG 26 - HB2 ARG 71 far 0 71 0 - 7.5-13.0 H ARG 71 - HB2 ARG 23 far 0 78 0 - 7.9-13.9 H ARG 71 - HB2 ARG 27 far 0 100 0 - 9.2-11.7 H ARG 71 - HB3 ARG 27 far 0 100 0 - 9.3-12.3 H LYS 75 - HB2 ARG 66 far 0 47 0 - 9.7-15.8 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 27 assignments used, quality = 1.00: * HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-2.6 3.0=100 HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 26 + HB2 ARG 26 OK 51 51 100 100 2.4-3.0 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 - 4.4-5.3 HA GLU 25 - HB2 ARG 27 far 0 94 0 - 4.5-5.6 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 4.9-7.2 HA ARG 71 - HB3 ARG 23 far 0 79 0 - 5.2-13.7 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-6.0 HA GLU 25 - HB2 ARG 26 far 0 47 0 - 5.6-6.6 HA GLU 25 - HB3 ARG 26 far 0 44 0 - 5.8-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 78 0 - 6.1-13.6 HA ARG 26 - HB2 ARG 23 far 0 75 0 - 6.8-9.0 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.2-8.7 HA GLU 25 - HB2 ARG 71 far 0 94 0 - 7.3-11.6 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 7.3-8.7 HA GLU 25 - HB2 ARG 23 far 0 69 0 - 7.4-8.6 HA GLU 25 - HB3 ARG 71 far 0 95 0 - 7.7-12.4 HA ALA 63 - HB3 ARG 27 far 0 93 0 - 8.8-11.0 HA ARG 26 - HB2 ARG 17 far 0 49 0 - 8.9-18.4 HA ARG 71 - HB2 ARG 66 far 0 57 0 - 9.2-11.6 HA GLU 25 - HB2 ARG 17 far 0 44 0 - 9.3-15.8 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 9.4-12.9 HA ARG 26 - HB3 ARG 71 far 0 99 0 - 9.8-15.6 HA ARG 71 - HB2 ARG 26 far 0 54 0 - 9.9-16.6 HA ALA 63 - HB2 ARG 27 far 0 93 0 - 9.9-12.0 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 60 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 2.2-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 95 95 100 99 2.2-3.0 2.9=94, 1418/3.0=15...(66) HG2 ARG 27 + HB2 ARG 27 OK 95 95 100 99 2.4-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 27 + HB3 ARG 27 OK 94 94 100 99 2.4-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 27 + HB2 ARG 27 OK 94 94 100 99 2.3-3.0 2.9=94, 1418/3.0=15...(66) HG2 ARG 26 + HB2 ARG 26 OK 52 53 100 98 2.2-3.0 3.0=88, 529/3.9=20...(43) HG2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.2-3.0 3.0=88, 529/3.9=20...(38) HG3 ARG 17 + HB2 ARG 17 OK 50 51 100 99 2.3-3.0 2.9=90, 1181/1.8=22...(33) HG2 ARG 17 + HB2 ARG 17 OK 50 51 100 99 2.4-3.0 2.9=90, 1181/1.8=22...(33) HG3 ARG 70 - HB3 ARG 71 poor 20 99 20 - 3.1-8.4 HG2 ARG 27 - HB2 ARG 26 poor 12 48 25 - 3.1-6.8 HG3 ARG 27 - HB2 ARG 26 far 7 47 15 - 3.3-6.8 HG2 ARG 71 - HB3 ARG 23 far 4 79 5 - 3.5-12.7 HG2 ARG 27 - HB2 ARG 23 far 4 70 5 - 3.5-10.5 HG3 ARG 27 - HB3 ARG 23 far 3 70 5 - 3.6-11.0 HG3 ARG 27 - HB2 ARG 23 far 3 69 5 - 3.7-10.4 HG2 ARG 27 - HB3 ARG 26 far 0 45 0 - 3.9-7.8 HG3 ARG 70 - HB2 ARG 71 far 0 99 0 - 3.9-7.4 HG3 ARG 70 - HB2 ARG 66 far 0 55 0 - 4.1-10.0 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.1-10.3 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.2-8.1 HG3 ARG 27 - HB3 ARG 26 far 0 44 0 - 4.7-7.2 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.0-8.3 HG2 ARG 71 - HB2 ARG 23 far 0 78 0 - 5.2-13.0 HG2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.4-7.7 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.2-11.3 HD3 LYS 32 - HB3 PRO 34 far 0 50 0 - 6.4-10.9 HG2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.7-8.4 HG3 ARG 70 - HB3 ARG 23 far 0 76 0 - 6.7-19.0 HD2 LYS 32 - HB3 PRO 34 far 0 49 0 - 6.8-10.8 HG2 ARG 71 - HB2 ARG 26 far 0 54 0 - 6.9-15.3 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.1-11.1 HG3 ARG 27 - HB2 ARG 71 far 0 94 0 - 7.1-12.6 HG3 ARG 27 - HB3 ARG 71 far 0 95 0 - 7.2-11.9 HG2 ARG 71 - HB2 ARG 66 far 0 57 0 - 7.4-11.2 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 7.7-11.6 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.8-11.4 HG3 ARG 84 - HB2 ARG 66 far 0 32 0 - 7.8-31.7 HG2 ARG 17 - HB3 PRO 34 far 0 52 0 - 8.0-28.7 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 8.0-11.7 HD3 LYS 32 - HB2 ARG 17 far 0 49 0 - 8.1-26.3 HG3 ARG 70 - HB2 ARG 23 far 0 75 0 - 8.2-18.6 HG3 ARG 17 - HB3 PRO 34 far 0 52 0 - 8.3-28.2 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.4-11.5 HD2 LYS 32 - HB2 ARG 17 far 0 47 0 - 8.4-27.7 HG2 ARG 84 - HB2 ARG 66 far 0 32 0 - 8.5-30.1 HG2 ARG 26 - HB3 ARG 71 far 0 100 0 - 8.5-15.6 HG2 ARG 71 - HB3 ARG 26 far 0 51 0 - 8.7-16.8 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.7-11.7 HG2 ARG 17 - HB3 ARG 26 far 0 51 0 - 8.8-20.5 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.1-11.8 HG2 ARG 17 - HB2 ARG 26 far 0 54 0 - 9.3-20.2 HG2 ARG 26 - HB2 ARG 71 far 0 100 0 - 9.4-15.0 HG3 ARG 70 - HB2 ARG 27 far 0 99 0 - 9.4-15.1 HG2 ARG 26 - HB2 ARG 17 far 0 51 0 - 9.5-17.6 HG3 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.5-21.1 HD2 LYS 73 - HB2 ARG 66 far 0 53 0 - 9.5-13.7 HB3 LEU 51 - HB2 ARG 66 far 0 41 0 - 9.9-12.3 HB3 LEU 51 - HB3 PRO 34 far 0 37 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 7 out of 41 assignments used, quality = 1.00: HG3 ARG 71 + HB2 ARG 71 OK 89 100 100 89 2.2-3.0 2.8=63, 779/4.0=17...(23) * HG3 ARG 71 + HB3 ARG 71 OK 89 100 100 89 2.2-3.0 2.8=63, 779/4.0=17...(23) HG2 PRO 34 + HB3 PRO 34 OK 50 50 100 100 2.3-2.7 2.3=100 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 46 53 100 86 2.2-2.9 3.0=53, 1390/3.9=14...(35) HG3 ARG 26 + HB3 ARG 26 OK 43 51 100 85 2.7-3.0 3.0=53, 1390/3.9=14...(34) HB2 PRO 34 + HB3 PRO 34 OK 26 26 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB2 ARG 23 far 0 77 0 - 3.5-7.8 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 3.7-7.3 HG3 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.2-7.9 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.9-8.0 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.0-12.6 HB ILE 33 - HB2 ARG 17 far 0 40 0 - 5.9-21.9 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 5.9-10.8 HB3 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.0-8.2 HB2 ARG 84 - HB2 ARG 66 far 0 33 0 - 6.1-31.5 HB2 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.3-9.5 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.3-11.4 HG3 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.6-12.7 HB ILE 33 - HB3 PRO 34 far 0 41 0 - 6.6-6.9 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 6.9-9.4 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 6.9-8.9 HB3 LYS 32 - HB2 ARG 17 far 0 33 0 - 7.3-26.6 HB2 LEU 62 - HB2 ARG 66 far 0 56 0 - 7.4-8.8 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 7.5-9.2 HB2 LEU 57 - HB3 PRO 34 far 0 43 0 - 7.6-8.5 HG3 ARG 26 - HB3 ARG 71 far 0 100 0 - 7.8-16.0 HG3 ARG 71 - HB2 ARG 66 far 0 57 0 - 7.9-10.0 HB2 ARG 54 - HB3 PRO 34 far 0 44 0 - 8.0-10.2 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 8.2-8.9 HB3 ARG 17 - HB2 ARG 26 far 0 51 0 - 8.3-18.8 HB2 PRO 34 - HB2 ARG 17 far 0 25 0 - 8.5-27.5 HG3 ARG 71 - HB2 ARG 26 far 0 54 0 - 8.7-14.2 HG3 ARG 26 - HB2 ARG 71 far 0 100 0 - 8.8-15.5 HB2 LYS 32 - HB2 ARG 17 far 0 33 0 - 8.9-26.8 HB3 ARG 17 - HB3 ARG 26 far 0 49 0 - 9.1-19.4 HB3 LYS 73 - HB2 ARG 66 far 0 32 0 - 9.2-13.2 HB2 LYS 32 - HB3 ARG 27 far 0 78 0 - 9.3-10.8 HB ILE 33 - HB3 ARG 26 far 0 40 0 - 9.8-12.0 HG3 ARG 26 - HB2 ARG 17 far 0 50 0 - 9.9-17.3 HG2 PRO 34 - HB2 ARG 17 far 0 48 0 - 9.9-27.9 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 48 assignments used, quality = 1.00: * HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.0-3.8 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.8 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.1 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.2-4.1 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.3-4.2 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 48 48 100 100 2.1-3.9 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 48 48 100 100 2.1-3.9 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.1-3.9 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.6-4.1 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 36 36 100 100 2.1-3.8 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 36 36 100 100 2.2-4.2 3.6=100 HD3 ARG 27 - HB2 ARG 26 poor 8 26 30 - 3.8-7.8 HD3 ARG 27 - HB2 ARG 23 far 4 40 10 - 3.5-10.2 HD2 ARG 71 - HB3 ARG 23 far 4 79 5 - 4.5-12.4 HD3 ARG 23 - HB2 ARG 26 far 3 31 10 - 3.9-8.5 HD2 ARG 27 - HB2 ARG 23 far 2 40 5 - 4.1-9.8 HD2 ARG 23 - HB2 ARG 26 far 2 31 5 - 4.5-8.1 HD3 ARG 27 - HB3 ARG 26 far 1 24 5 - 4.0-8.7 HD2 ARG 27 - HB3 ARG 26 far 1 24 5 - 4.5-8.5 HD2 ARG 27 - HB2 ARG 26 far 0 26 0 - 4.6-8.0 HD3 ARG 27 - HB3 ARG 23 far 0 40 0 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 23 far 0 78 0 - 4.9-12.6 HD2 ARG 27 - HB3 ARG 23 far 0 40 0 - 4.9-10.1 HD3 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.0-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.2-9.8 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.3-10.7 HD2 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.6-10.9 HD2 ARG 84 - HB2 ARG 66 far 0 55 0 - 5.6-32.2 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 5.9-13.5 HD2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.3-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 6.8-12.8 HD3 ARG 84 - HB2 ARG 66 far 0 53 0 - 6.9-31.0 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 7.0-12.0 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 7.1-12.9 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 7.1-14.0 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 7.3-12.0 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 7.3-12.6 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.3-12.9 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 7.8-12.6 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 8.3-12.1 HB2 PHE 48 - HB2 ARG 66 far 0 46 0 - 8.3-10.2 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 8.6-12.4 HD2 ARG 71 - HB2 ARG 26 far 0 54 0 - 9.2-14.9 HD3 ARG 17 - HB2 ARG 26 far 0 38 0 - 9.3-21.2 HD3 ARG 17 - HB3 PRO 34 far 0 37 0 - 9.7-28.9 HD2 ARG 17 - HB3 PRO 34 far 0 37 0 - 9.9-30.1 HD2 ARG 71 - HB2 ARG 66 far 0 57 0 - 10.0-12.5 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 35 assignments used, quality = 1.00: * HD3 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 52 52 100 100 2.0-3.7 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.0-3.6 3.4=100 HD3 ARG 26 + HB2 ARG 26 OK 31 31 100 100 2.0-4.1 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 30 30 100 100 2.7-4.0 3.5=100 HD3 ARG 26 + HB3 ARG 26 OK 30 30 100 100 2.0-3.5 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.1-4.1 3.5=100 HD3 ARG 70 - HB3 ARG 71 far 10 100 10 - 4.3-9.0 HD2 ARG 70 - HB2 ARG 66 far 8 55 15 - 4.0-9.8 HD2 ARG 70 - HB3 ARG 71 far 5 99 5 - 4.3-9.6 HD3 ARG 71 - HB3 ARG 23 far 4 79 5 - 3.6-12.3 HD2 ARG 26 - HB2 ARG 23 far 2 46 5 - 3.9-8.7 HD2 ARG 26 - HB3 ARG 23 far 0 46 0 - 4.7-9.1 HD3 ARG 26 - HB2 ARG 23 far 0 48 0 - 4.8-9.3 HD3 ARG 70 - HB2 ARG 66 far 0 56 0 - 4.9-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 68 0 - 5.0-9.1 HD3 ARG 71 - HB2 ARG 23 far 0 78 0 - 5.1-12.7 HD3 ARG 26 - HB3 ARG 23 far 0 48 0 - 5.4-9.3 HD3 ARG 71 - HB2 ARG 27 far 0 100 0 - 5.5-12.1 HD2 ARG 26 - HB3 ARG 27 far 0 68 0 - 5.6-9.8 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.7-8.5 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 5.9-8.8 HD3 ARG 26 - HB2 ARG 27 far 0 71 0 - 5.9-9.3 HD3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.1-12.0 HD3 ARG 26 - HB3 ARG 27 far 0 71 0 - 6.5-9.8 HD3 ARG 70 - HB3 ARG 23 far 0 78 0 - 7.1-19.3 HD3 ARG 71 - HB2 ARG 26 far 0 54 0 - 7.8-15.7 HD3 ARG 70 - HB2 ARG 23 far 0 77 0 - 8.5-18.9 HD2 ARG 70 - HB3 ARG 23 far 0 77 0 - 8.7-18.2 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 9.3-13.5 HD3 ARG 70 - HB2 ARG 27 far 0 100 0 - 9.4-15.6 HD3 ARG 71 - HB3 ARG 26 far 0 51 0 - 9.5-17.3 HD3 ARG 71 - HB2 ARG 66 far 0 57 0 - 9.5-11.7 HD3 ARG 26 - HB2 ARG 17 far 0 29 0 - 9.5-19.2 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 2.0-3.7 779/1.8=93, 5.0=65...(25) H LYS 75 - HD3 LYS 73 poor 13 87 30 48 2.4-9.6 5849/2.9=18, 804/3.5=11...(6) H LYS 75 - HD2 LYS 73 poor 10 87 25 47 3.1-10.1 5849/2.9=18, 804/3.5=11...(5) H ARG 26 - HG2 ARG 71 far 0 71 0 - 6.6-15.0 H ARG 71 - HD3 LYS 73 far 0 98 0 - 6.6-9.6 H LYS 75 - HG2 ARG 71 far 0 92 0 - 6.6-11.9 H ARG 71 - HD2 LYS 73 far 0 98 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (4.08, 1.62, 28.82 ppm; 3.98 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.8 3.8=100 HA ARG 71 - HD3 LYS 73 far 0 98 0 - 7.4-10.3 HA GLU 25 - HG2 ARG 71 far 0 95 0 - 7.4-13.7 HA ARG 71 - HD2 LYS 73 far 0 98 0 - 7.9-10.5 HA ARG 26 - HG2 ARG 71 far 0 99 0 - 9.2-16.6 HA ALA 63 - HG2 ARG 71 far 0 93 0 - 9.4-12.9 Violated in 0 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 2.2-3.0 2.8=100 HB3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HB2 LYS 75 - HD3 LYS 73 far 9 94 10 - 3.0-12.3 HB3 ARG 23 - HG2 ARG 71 far 5 100 5 - 3.5-12.7 HB2 LYS 75 - HD2 LYS 73 far 5 94 5 - 3.1-12.8 HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 5.2-13.0 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.2-11.3 HB3 PRO 34 - HD3 LYS 32 far 0 77 0 - 6.4-10.9 HB3 PRO 34 - HD2 LYS 32 far 0 76 0 - 6.8-10.8 HB2 ARG 26 - HG2 ARG 71 far 0 65 0 - 6.9-15.3 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 7.1-11.1 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 7.4-15.2 HB2 ARG 66 - HG2 ARG 71 far 0 76 0 - 7.4-11.2 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 7.7-11.6 HB2 ARG 17 - HD3 LYS 32 far 0 92 0 - 8.1-26.3 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.4-11.5 HB2 ARG 17 - HD2 LYS 32 far 0 90 0 - 8.4-27.7 HB3 ARG 26 - HG2 ARG 71 far 0 63 0 - 8.7-16.8 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.7-11.7 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.1-11.8 HB2 ARG 66 - HD2 LYS 73 far 0 71 0 - 9.5-13.7 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 2.2-3.0 2.8=100 HB2 LYS 75 - HD3 LYS 73 far 9 93 10 - 3.0-12.3 HB3 ARG 23 - HG2 ARG 71 far 5 99 5 - 3.5-12.7 HB2 LYS 75 - HD2 LYS 73 far 5 93 5 - 3.1-12.8 HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 5.2-13.0 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.2-11.3 HB3 PRO 34 - HD3 LYS 32 far 0 80 0 - 6.4-10.9 HB3 PRO 34 - HD2 LYS 32 far 0 78 0 - 6.8-10.8 HB2 ARG 26 - HG2 ARG 71 far 0 68 0 - 6.9-15.3 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 7.1-11.1 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 7.4-15.2 HB2 ARG 66 - HG2 ARG 71 far 0 78 0 - 7.4-11.2 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 7.7-11.6 HB2 ARG 17 - HD3 LYS 32 far 0 90 0 - 8.1-26.3 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.4-11.5 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 8.4-27.7 HB3 ARG 26 - HG2 ARG 71 far 0 65 0 - 8.7-16.8 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.7-11.7 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.1-11.8 HB2 ARG 66 - HD2 LYS 73 far 0 73 0 - 9.5-13.7 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 21 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 70 75 100 94 2.0-3.5 3.5=51, 1.8/1581=12...(39) HB2 LYS 32 + HD2 LYS 32 OK 69 73 100 94 2.1-3.6 3.5=51, 3.0/1561=11...(39) HB3 LYS 32 + HD2 LYS 32 OK 51 73 75 93 2.0-3.9 3.5=51, 1.8/1581=14...(39) HB2 LYS 32 + HD3 LYS 32 OK 49 75 70 94 2.1-4.1 3.5=51, 1.8/1571=14...(39) HB3 LYS 73 + HD3 LYS 73 OK 47 64 90 83 2.8-3.7 3.5=48, 3.0/3009=13...(28) HB3 LYS 73 + HD2 LYS 73 OK 40 64 75 84 2.0-4.2 3.5=48, 3.0/3019=13...(28) HB2 LEU 43 - HD3 LYS 73 far 0 61 0 - 7.0-12.2 HB2 LEU 43 - HD2 LYS 73 far 0 61 0 - 7.3-12.3 HB ILE 33 - HD3 LYS 32 far 0 86 0 - 7.4-9.4 HB3 LYS 73 - HG2 ARG 71 far 0 68 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 97 0 - 7.5-10.1 HG3 ARG 26 - HG2 ARG 71 far 0 100 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 84 0 - 7.6-9.3 HB3 ARG 17 - HD3 LYS 32 far 0 97 0 - 7.6-26.1 HB3 ARG 17 - HD2 LYS 32 far 0 95 0 - 7.7-27.5 HB2 PRO 34 - HD2 LYS 32 far 0 58 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 95 0 - 7.9-10.8 HG3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.8-12.6 HG3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.8-12.4 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 2.4-3.0 3.0=100 HB2 PHE 48 - HD2 LYS 73 far 0 86 0 - 5.9-12.2 HD2 ARG 27 - HG2 ARG 71 far 0 60 0 - 5.9-13.0 HD2 ARG 17 - HD2 LYS 32 far 0 78 0 - 6.4-30.8 HB2 PHE 48 - HD3 LYS 73 far 0 86 0 - 6.8-12.6 HD3 ARG 23 - HG2 ARG 71 far 0 71 0 - 6.9-13.5 HD2 ARG 17 - HD3 LYS 32 far 0 80 0 - 7.0-29.3 HD2 ARG 23 - HG2 ARG 71 far 0 71 0 - 7.2-14.2 HD3 ARG 27 - HG2 ARG 71 far 0 60 0 - 7.3-12.5 HD3 ARG 17 - HD2 LYS 32 far 0 78 0 - 7.6-29.9 HD3 ARG 17 - HD3 LYS 32 far 0 80 0 - 8.0-28.5 HD2 ARG 71 - HD3 LYS 73 far 0 98 0 - 9.2-13.6 HD2 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.9-13.1 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 poor 20 100 20 - 3.7-8.1 HD2 ARG 70 - HG2 ARG 71 far 10 99 10 - 4.2-8.3 HD3 ARG 70 - HD2 LYS 73 far 0 97 0 - 5.1-12.6 HD2 ARG 70 - HD2 LYS 73 far 0 96 0 - 6.0-13.0 HD3 ARG 70 - HD3 LYS 73 far 0 97 0 - 6.2-12.8 HD2 ARG 70 - HD3 LYS 73 far 0 96 0 - 6.7-12.2 HD2 ARG 66 - HG2 ARG 71 far 0 97 0 - 8.3-14.3 HD3 ARG 66 - HG2 ARG 71 far 0 95 0 - 8.8-13.7 HD3 ARG 71 - HD3 LYS 73 far 0 98 0 - 9.4-13.7 HD2 ARG 26 - HG2 ARG 71 far 0 68 0 - 9.7-19.0 HD3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.8-14.0 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 3 assignments used, quality = 1.00: * H ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.0-3.5 779=100, 2920/1.8=58...(18) H LYS 75 - HG3 ARG 71 far 0 92 0 - 7.9-11.9 H ARG 26 - HG3 ARG 71 far 0 71 0 - 8.3-13.8 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 - 7.1-13.1 HA ALA 63 - HG3 ARG 71 far 0 93 0 - 9.2-11.5 Violated in 4 structures by 0.02 A. Peak 2930 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB3 ARG 23 - HG3 ARG 71 far 0 100 0 - 5.0-12.6 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 5.9-10.8 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.3-11.4 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.6-12.7 HB2 ARG 66 - HG3 ARG 71 far 0 76 0 - 7.9-10.0 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 8.2-14.6 HB2 ARG 26 - HG3 ARG 71 far 0 65 0 - 8.7-14.2 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 9 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 2.2-3.0 2.8=100 HB3 ARG 23 - HG3 ARG 71 far 0 99 0 - 5.0-12.6 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 5.9-10.8 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.3-11.4 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.6-12.7 HB2 ARG 66 - HG3 ARG 71 far 0 78 0 - 7.9-10.0 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 8.2-14.6 HB2 ARG 26 - HG3 ARG 71 far 0 68 0 - 8.7-14.2 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 6 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 10 99 10 - 2.4-7.6 HG3 ARG 27 - HG3 ARG 71 far 0 95 0 - 6.1-11.2 HG2 ARG 27 - HG3 ARG 71 far 0 96 0 - 6.5-12.1 HD3 LYS 73 - HG3 ARG 71 far 0 98 0 - 8.8-12.6 HD2 LYS 73 - HG3 ARG 71 far 0 98 0 - 9.8-12.4 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 2.4-3.0 3.0=100 HD2 ARG 27 - HG3 ARG 71 far 0 60 0 - 5.9-12.2 HD2 ARG 23 - HG3 ARG 71 far 0 71 0 - 6.7-15.8 HD3 ARG 27 - HG3 ARG 71 far 0 60 0 - 7.1-12.7 HD3 ARG 23 - HG3 ARG 71 far 0 71 0 - 7.1-14.4 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 2.3-3.0 3.0=100 HD2 ARG 70 - HG3 ARG 71 far 15 99 15 - 4.6-7.9 HD3 ARG 70 - HG3 ARG 71 poor 6 100 25 22 3.6-8.7 5833/779=14, 5166/3.8=4...(4) HD2 ARG 66 - HG3 ARG 71 far 0 97 0 - 8.0-12.7 HD3 ARG 66 - HG3 ARG 71 far 0 95 0 - 8.5-12.3 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 21 assignments used, quality = 1.00: * HA ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.0-4.1 2902=77, 2901/3.0=36...(35) HA ARG 26 - HD3 ARG 27 far 0 58 0 - 5.8-9.0 HA ARG 26 - HD2 ARG 27 far 0 58 0 - 5.8-8.1 HA GLU 25 - HD2 ARG 27 far 0 52 0 - 6.0-9.0 HA GLU 25 - HD2 ARG 71 far 0 95 0 - 6.6-14.3 HA ARG 26 - HD3 ARG 23 far 0 68 0 - 6.7-11.0 HA GLU 25 - HD3 ARG 27 far 0 52 0 - 6.9-8.9 HA ARG 26 - HD2 ARG 23 far 0 68 0 - 7.0-10.6 HA ARG 71 - HD2 ARG 23 far 0 71 0 - 7.7-16.0 HA ARG 71 - HD3 ARG 23 far 0 71 0 - 7.8-14.8 HA GLU 25 - HD3 ARG 23 far 0 62 0 - 7.9-11.0 HA ALA 63 - HD2 ARG 84 far 0 91 0 - 7.9-34.0 HA GLU 25 - HD2 ARG 23 far 0 62 0 - 8.2-10.8 HA ALA 63 - HD3 ARG 27 far 0 51 0 - 8.4-13.9 HA ALA 63 - HD3 ARG 84 far 0 89 0 - 8.5-34.1 HA ALA 63 - HD2 ARG 27 far 0 51 0 - 8.6-12.6 HA ARG 26 - HD2 ARG 17 far 0 80 0 - 9.3-21.5 HA ARG 26 - HD3 ARG 17 far 0 80 0 - 9.6-20.5 HA ARG 71 - HD2 ARG 27 far 0 60 0 - 9.6-15.0 HA GLU 25 - HD2 ARG 17 far 0 74 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 74 0 - 9.9-17.9 Violated in 1 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.28 A): 12 out of 51 assignments used, quality = 1.00: * HB2 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.3-3.8 3.5=80, 3.0/2937=39...(30) HB3 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.0-3.8 3.5=80, 3.0/2937=39...(30) HB2 ARG 17 + HD2 ARG 17 OK 73 74 100 99 2.1-3.8 3.6=76, 1161/1.8=24...(42) HB3 ARG 23 + HD3 ARG 23 OK 69 70 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB3 ARG 23 + HD2 ARG 23 OK 69 70 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD3 ARG 23 OK 68 69 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD2 ARG 23 OK 68 69 100 99 2.6-4.1 3.5=80, 1287/2.9=30...(33) HB2 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.2-4.1 3.5=80, 1448/3.0=10...(57) HB3 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.1-4.1 3.5=80, 1448/3.0=10...(58) HB2 ARG 17 + HD3 ARG 17 OK 55 74 75 99 2.2-4.2 3.6=76, 1161/1.8=24...(42) HB2 ARG 27 + HD3 ARG 27 OK 53 60 90 98 2.3-4.2 3.5=80, 1448/3.0=10...(57) HB3 ARG 27 + HD2 ARG 27 OK 53 60 90 98 2.1-4.2 3.5=80, 1448/3.0=10...(58) HB2 ARG 26 - HD3 ARG 27 poor 6 32 20 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 4 39 10 - 3.9-8.5 HB2 ARG 23 - HD3 ARG 27 far 3 58 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 27 far 3 58 5 - 4.1-9.8 HB3 ARG 26 - HD3 ARG 27 far 2 31 5 - 4.0-8.7 HB3 ARG 23 - HD2 ARG 71 far 0 100 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 39 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 31 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 32 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 59 0 - 4.7-9.6 HB2 ARG 23 - HD2 ARG 71 far 0 99 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 59 0 - 4.9-10.1 HB3 ARG 26 - HD3 ARG 23 far 0 37 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 37 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.3-10.7 HB2 LYS 75 - HD2 ARG 71 far 0 97 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 5.6-10.9 HB2 ARG 66 - HD2 ARG 84 far 0 73 0 - 5.6-32.2 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 100 0 - 6.3-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 72 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 65 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 66 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 47 0 - 9.3-21.2 HB3 PRO 34 - HD3 ARG 17 far 0 60 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 60 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 76 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.28 A): 12 out of 51 assignments used, quality = 1.00: HB2 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.3-3.8 3.5=80, 3.0/2937=39...(30) * HB3 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.0-3.8 3.5=80, 3.0/2937=39...(30) HB2 ARG 17 + HD2 ARG 17 OK 72 72 100 99 2.1-3.8 3.6=76, 1161/1.8=24...(42) HB3 ARG 23 + HD3 ARG 23 OK 68 69 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB3 ARG 23 + HD2 ARG 23 OK 68 69 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD3 ARG 23 OK 67 68 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD2 ARG 23 OK 67 68 100 99 2.6-4.1 3.5=80, 1287/2.9=30...(33) HB3 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.1-4.1 3.5=80, 1448/3.0=10...(58) HB2 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.2-4.1 3.5=80, 1448/3.0=10...(57) HB2 ARG 17 + HD3 ARG 17 OK 54 72 75 99 2.2-4.2 3.6=76, 1161/1.8=24...(42) HB3 ARG 27 + HD2 ARG 27 OK 53 60 90 98 2.1-4.2 3.5=80, 1448/3.0=10...(58) HB2 ARG 27 + HD3 ARG 27 OK 53 60 90 98 2.3-4.2 3.5=80, 1448/3.0=10...(57) HB2 ARG 26 - HD3 ARG 27 poor 7 34 20 - 3.8-7.8 HB2 ARG 26 - HD3 ARG 23 far 4 41 10 - 3.9-8.5 HB2 ARG 23 - HD3 ARG 27 far 3 58 5 - 3.5-10.2 HB2 ARG 23 - HD2 ARG 27 far 3 58 5 - 4.1-9.8 HB3 ARG 26 - HD3 ARG 27 far 2 32 5 - 4.0-8.7 HB3 ARG 23 - HD2 ARG 71 far 0 99 0 - 4.5-12.4 HB2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.5-8.1 HB3 ARG 26 - HD2 ARG 27 far 0 32 0 - 4.5-8.5 HB2 ARG 26 - HD2 ARG 27 far 0 34 0 - 4.6-8.0 HB3 ARG 23 - HD3 ARG 27 far 0 58 0 - 4.7-9.6 HB2 ARG 23 - HD2 ARG 71 far 0 99 0 - 4.9-12.6 HB3 ARG 23 - HD2 ARG 27 far 0 58 0 - 4.9-10.1 HB3 ARG 26 - HD3 ARG 23 far 0 39 0 - 5.0-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 39 0 - 5.2-9.8 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.3-10.7 HB2 LYS 75 - HD2 ARG 71 far 0 97 0 - 5.4-15.0 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 5.6-10.9 HB2 ARG 66 - HD2 ARG 84 far 0 76 0 - 5.6-32.2 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 5.9-13.5 HB2 ARG 27 - HD2 ARG 71 far 0 100 0 - 6.3-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 6.8-12.8 HB2 ARG 66 - HD3 ARG 84 far 0 74 0 - 6.9-31.0 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 7.0-12.0 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 7.1-12.9 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.1-14.0 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 7.3-12.0 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 7.3-12.6 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 7.3-22.4 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 7.3-12.9 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.8-12.6 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 8.1-22.9 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 8.3-12.1 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 8.6-12.4 HB2 ARG 26 - HD2 ARG 71 far 0 68 0 - 9.2-14.9 HB2 LYS 75 - HD2 ARG 23 far 0 65 0 - 9.3-24.2 HB2 ARG 26 - HD3 ARG 17 far 0 50 0 - 9.3-21.2 HB3 PRO 34 - HD3 ARG 17 far 0 62 0 - 9.7-28.9 HB3 PRO 34 - HD2 ARG 17 far 0 62 0 - 9.9-30.1 HB2 ARG 66 - HD2 ARG 71 far 0 78 0 - 10.0-12.5 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 2.4-3.0 3.0=100 HG3 ARG 17 + HD2 ARG 17 OK 83 83 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.2-3.0 3.0=100 HG2 ARG 27 + HD2 ARG 27 OK 53 53 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HG2 ARG 84 - HD2 ARG 82 far 6 61 10 - 3.1-10.4 HG3 ARG 70 - HD2 ARG 71 far 5 99 5 - 2.6-9.1 HG LEU 86 - HD2 ARG 84 far 4 78 5 - 3.8-11.9 HG LEU 86 - HD3 ARG 84 far 4 76 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 3 61 5 - 3.5-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 71 0 - 4.5-10.5 HB2 LEU 86 - HD3 ARG 84 far 0 97 0 - 4.8-11.8 HG3 ARG 27 - HD3 ARG 23 far 0 62 0 - 5.2-12.7 HG3 ARG 27 - HD2 ARG 23 far 0 62 0 - 5.3-11.8 HG2 ARG 27 - HD2 ARG 23 far 0 63 0 - 5.3-10.9 HG2 ARG 26 - HD3 ARG 23 far 0 71 0 - 5.6-9.8 HG2 ARG 27 - HD3 ARG 23 far 0 63 0 - 5.6-11.9 HG3 ARG 27 - HD2 ARG 71 far 0 95 0 - 5.7-12.8 HG2 ARG 26 - HD3 ARG 27 far 0 60 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 98 0 - 6.0-11.1 HD2 LYS 32 - HD2 ARG 17 far 0 78 0 - 6.4-30.8 HG2 ARG 26 - HD2 ARG 27 far 0 60 0 - 6.5-9.5 HG2 ARG 27 - HD2 ARG 71 far 0 96 0 - 6.6-13.1 HG2 ARG 71 - HD3 ARG 23 far 0 71 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 80 0 - 7.0-29.3 HG2 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.2-14.2 HG2 ARG 71 - HD3 ARG 27 far 0 60 0 - 7.3-12.5 HD2 LYS 32 - HD3 ARG 17 far 0 78 0 - 7.6-29.9 HD3 LYS 32 - HD3 ARG 17 far 0 80 0 - 8.0-28.5 HG LEU 86 - HD2 ARG 82 far 0 73 0 - 9.1-18.0 HD3 LYS 73 - HD2 ARG 71 far 0 98 0 - 9.2-13.6 HG3 ARG 70 - HD2 ARG 27 far 0 58 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.5-18.3 HG2 ARG 26 - HD2 ARG 71 far 0 100 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 98 0 - 9.9-13.1 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 2.4-3.0 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 77 79 100 97 2.5-4.0 3.6=65, 1167/3.0=19...(35) HB3 ARG 17 + HD2 ARG 17 OK 77 79 100 97 2.1-3.9 3.6=65, 1167/3.0=19...(35) HB2 ARG 84 + HD2 ARG 84 OK 63 68 95 97 2.2-4.1 3.5=69, 1.8/3410=35...(24) HB3 ARG 82 + HD2 ARG 82 OK 58 86 75 89 2.2-4.1 3.6=62, 5479/3.0=49...(7) HB2 ARG 84 + HD3 ARG 84 OK 49 67 75 97 2.2-4.2 3.5=69, 1.8/3410=35...(24) HG3 ARG 26 - HD2 ARG 23 far 4 70 5 - 3.6-9.6 HG3 ARG 26 - HD3 ARG 23 far 0 70 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 82 far 0 64 0 - 4.5-11.2 HG3 ARG 26 - HD3 ARG 27 far 0 60 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 54 0 - 5.1-14.6 HB3 LYS 85 - HD2 ARG 84 far 0 58 0 - 5.5-9.2 HB3 ARG 82 - HD3 ARG 84 far 0 89 0 - 5.6-10.8 HB3 LYS 85 - HD3 ARG 84 far 0 56 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 60 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.9-12.2 HB3 LYS 32 - HD3 ARG 17 far 0 58 0 - 6.4-28.8 HB3 ARG 82 - HD2 ARG 84 far 0 91 0 - 6.5-10.1 HG3 ARG 71 - HD2 ARG 23 far 0 71 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 60 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.1-14.4 HB3 LYS 32 - HD2 ARG 17 far 0 58 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 58 0 - 7.9-28.9 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 8.1-10.6 HB2 LEU 62 - HD3 ARG 84 far 0 97 0 - 8.3-38.9 HB ILE 33 - HD2 ARG 17 far 0 68 0 - 8.4-25.3 HB ILE 33 - HD3 ARG 17 far 0 68 0 - 8.6-24.0 HB ILE 33 - HD2 ARG 27 far 0 47 0 - 8.6-11.9 HB ILE 33 - HD3 ARG 27 far 0 47 0 - 8.7-12.4 HB2 LEU 62 - HD2 ARG 84 far 0 98 0 - 8.8-38.7 HB2 PRO 34 - HD3 ARG 17 far 0 45 0 - 9.1-29.6 HG3 ARG 26 - HD2 ARG 71 far 0 100 0 - 9.2-16.1 HB2 LYS 32 - HD2 ARG 17 far 0 58 0 - 9.3-30.0 HB2 LYS 32 - HD3 ARG 27 far 0 40 0 - 9.8-13.0 HB2 PRO 34 - HD2 ARG 17 far 0 45 0 - 9.9-30.7 HG3 ARG 26 - HD3 ARG 17 far 0 82 0 - 10.0-19.0 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 26 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 - 3.3-11.1 HD3 ARG 70 - HD2 ARG 71 far 0 100 0 - 3.4-9.9 HD2 ARG 66 - HD2 ARG 84 far 0 94 0 - 4.1-34.7 HD2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.4-10.4 HD2 ARG 26 - HD3 ARG 27 far 0 34 0 - 4.5-10.6 HD2 ARG 66 - HD3 ARG 84 far 0 93 0 - 4.5-34.1 HD2 ARG 70 - HD2 ARG 71 far 0 99 0 - 4.6-10.2 HD3 ARG 26 - HD3 ARG 23 far 0 43 0 - 5.1-11.6 HD3 ARG 71 - HD3 ARG 23 far 0 71 0 - 5.1-14.3 HD3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.2-13.8 HD3 ARG 71 - HD2 ARG 23 far 0 71 0 - 5.5-15.7 HD3 ARG 26 - HD3 ARG 27 far 0 35 0 - 5.6-11.1 HD3 ARG 66 - HD2 ARG 84 far 0 92 0 - 5.6-35.3 HD2 ARG 26 - HD2 ARG 27 far 0 34 0 - 5.8-10.4 HD3 ARG 26 - HD2 ARG 23 far 0 43 0 - 5.9-11.2 HD3 ARG 66 - HD3 ARG 84 far 0 91 0 - 6.1-34.1 HD3 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.6-13.0 HD3 ARG 26 - HD2 ARG 27 far 0 35 0 - 7.0-10.4 HD2 ARG 70 - HD2 ARG 27 far 0 58 0 - 8.5-18.7 HD3 ARG 70 - HD2 ARG 84 far 0 99 0 - 8.8-32.9 HD2 ARG 70 - HD3 ARG 27 far 0 58 0 - 8.9-19.4 HD2 ARG 70 - HD2 ARG 84 far 0 98 0 - 9.4-33.0 HD3 ARG 70 - HD3 ARG 23 far 0 70 0 - 9.5-18.2 HD3 ARG 66 - HD2 ARG 82 far 0 88 0 - 9.9-28.5 HD3 ARG 26 - HD3 ARG 17 far 0 52 0 - 9.9-21.1 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (4.08, 3.20, 43.10 ppm; 4.44 A): 5 out of 13 assignments used, quality = 1.00: * HA ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.6-5.2 4.7=86, 2902/1.8=78...(42) HA ARG 26 + HD3 ARG 26 OK 68 68 100 100 2.7-4.6 4.8=80, 2901/3.0=43...(57) HA ARG 26 + HD2 ARG 26 OK 66 66 100 100 3.2-5.0 4.8=80, 2901/3.0=43...(56) HA ALA 63 + HD3 ARG 66 OK 39 46 85 99 2.4-5.6 4684/3.4=60, 5370/3.0=56...(11) HA ALA 63 + HD2 ARG 66 OK 38 48 80 99 2.7-5.8 4684/3.4=60, 5370/3.0=56...(11) HA ARG 71 - HD3 ARG 70 poor 12 59 20 - 5.1-7.2 HA ARG 71 - HD2 ARG 70 far 3 58 5 - 4.9-7.8 HA GLU 25 - HD3 ARG 71 far 0 95 0 - 6.2-14.5 HA GLU 25 - HD3 ARG 26 far 0 62 0 - 6.6-8.3 HA ALA 63 - HD2 ARG 70 far 0 50 0 - 6.7-13.5 HA ALA 63 - HD3 ARG 70 far 0 50 0 - 7.4-13.4 HA GLU 25 - HD2 ARG 26 far 0 60 0 - 7.6-8.2 HA ARG 26 - HD3 ARG 71 far 0 99 0 - 10.0-17.3 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.07 A): 8 out of 38 assignments used, quality = 0.99: HB3 ARG 71 + HD3 ARG 71 OK 82 100 85 96 2.5-4.2 3.5=66, ~2937=20...(42) * HB2 ARG 71 + HD3 ARG 71 OK 53 100 55 96 2.3-4.2 3.5=66, ~2937=20...(42) HB3 ARG 26 + HD3 ARG 26 OK 36 37 100 96 2.0-3.5 3.5=70, 3.0/2948=10...(55) HB2 ARG 66 + HD2 ARG 66 OK 34 36 100 94 2.0-3.7 3.4=71, ~2701=17...(17) HB2 ARG 26 + HD3 ARG 26 OK 34 39 90 96 2.0-4.1 3.5=70, 3.0/2948=10...(55) HB2 ARG 66 + HD3 ARG 66 OK 32 35 100 94 2.0-3.6 3.4=71, ~2701=17...(18) HB3 ARG 26 + HD2 ARG 26 OK 32 36 95 96 2.1-4.1 3.5=70, 3.0/2948=10...(55) HB2 ARG 26 + HD2 ARG 26 OK 30 37 85 95 2.7-4.0 3.5=70, 3.0/2948=10...(55) HB3 ARG 23 - HD3 ARG 71 far 5 100 5 - 3.6-12.3 HB2 ARG 23 - HD2 ARG 26 far 3 66 5 - 3.9-8.7 HB2 ARG 66 - HD2 ARG 70 far 2 37 5 - 4.0-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 4.3-9.0 HB3 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.3-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 67 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 69 0 - 4.8-9.3 HB2 ARG 66 - HD3 ARG 70 far 0 38 0 - 4.9-9.7 HB2 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.0-9.1 HB2 ARG 23 - HD3 ARG 71 far 0 99 0 - 5.1-12.7 HB3 ARG 23 - HD3 ARG 26 far 0 70 0 - 5.4-9.3 HB2 ARG 27 - HD3 ARG 71 far 0 100 0 - 5.5-12.1 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.6-9.8 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.7-8.5 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.9-8.8 HB2 ARG 27 - HD3 ARG 26 far 0 71 0 - 5.9-9.3 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.1-12.0 HB2 LYS 75 - HD3 ARG 70 far 0 55 0 - 6.5-14.6 HB2 LYS 75 - HD3 ARG 71 far 0 97 0 - 6.5-15.2 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 6.5-9.8 HB3 ARG 23 - HD3 ARG 70 far 0 58 0 - 7.1-19.3 HB2 ARG 26 - HD3 ARG 71 far 0 65 0 - 7.8-15.7 HB2 LYS 75 - HD2 ARG 70 far 0 54 0 - 7.8-14.1 HB2 ARG 23 - HD3 ARG 70 far 0 57 0 - 8.5-18.9 HB3 ARG 23 - HD2 ARG 70 far 0 57 0 - 8.7-18.2 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.3-13.5 HB2 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.4-15.6 HB3 ARG 26 - HD3 ARG 71 far 0 63 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 76 0 - 9.5-11.7 HB2 ARG 17 - HD3 ARG 26 far 0 62 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.07 A): 8 out of 38 assignments used, quality = 0.99: * HB3 ARG 71 + HD3 ARG 71 OK 82 100 85 96 2.5-4.2 3.5=66, ~2937=20...(42) HB2 ARG 71 + HD3 ARG 71 OK 53 100 55 96 2.3-4.2 3.5=66, ~2937=20...(42) HB3 ARG 26 + HD3 ARG 26 OK 37 39 100 96 2.0-3.5 3.5=70, 3.0/2948=10...(55) HB2 ARG 66 + HD2 ARG 66 OK 35 37 100 94 2.0-3.7 3.4=71, ~2701=17...(18) HB2 ARG 26 + HD3 ARG 26 OK 35 41 90 96 2.0-4.1 3.5=70, 3.0/2948=10...(55) HB3 ARG 26 + HD2 ARG 26 OK 34 37 95 96 2.1-4.1 3.5=70, 3.0/2948=10...(55) HB2 ARG 66 + HD3 ARG 66 OK 34 36 100 94 2.0-3.6 3.4=71, ~2701=17...(18) HB2 ARG 26 + HD2 ARG 26 OK 32 39 85 95 2.7-4.0 3.5=70, 3.0/2948=10...(55) HB3 ARG 23 - HD3 ARG 71 far 5 99 5 - 3.6-12.3 HB2 ARG 23 - HD2 ARG 26 far 3 66 5 - 3.9-8.7 HB2 ARG 66 - HD2 ARG 70 far 2 39 5 - 4.0-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 4.3-9.0 HB3 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.3-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 66 0 - 4.7-9.1 HB2 ARG 23 - HD3 ARG 26 far 0 68 0 - 4.8-9.3 HB2 ARG 66 - HD3 ARG 70 far 0 39 0 - 4.9-9.7 HB2 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.0-9.1 HB2 ARG 23 - HD3 ARG 71 far 0 99 0 - 5.1-12.7 HB3 ARG 23 - HD3 ARG 26 far 0 69 0 - 5.4-9.3 HB2 ARG 27 - HD3 ARG 71 far 0 100 0 - 5.5-12.1 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.6-9.8 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.7-8.5 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.9-8.8 HB2 ARG 27 - HD3 ARG 26 far 0 71 0 - 5.9-9.3 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.1-12.0 HB2 LYS 75 - HD3 ARG 70 far 0 54 0 - 6.5-14.6 HB2 LYS 75 - HD3 ARG 71 far 0 97 0 - 6.5-15.2 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 6.5-9.8 HB3 ARG 23 - HD3 ARG 70 far 0 57 0 - 7.1-19.3 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.8-15.7 HB2 LYS 75 - HD2 ARG 70 far 0 53 0 - 7.8-14.1 HB2 ARG 23 - HD3 ARG 70 far 0 57 0 - 8.5-18.9 HB3 ARG 23 - HD2 ARG 70 far 0 57 0 - 8.7-18.2 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.3-13.5 HB2 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.4-15.6 HB3 ARG 26 - HD3 ARG 71 far 0 65 0 - 9.5-17.3 HB2 ARG 66 - HD3 ARG 71 far 0 78 0 - 9.5-11.7 HB2 ARG 17 - HD3 ARG 26 far 0 61 0 - 9.5-19.2 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 42 assignments used, quality = 1.00: * HG2 ARG 71 + HD3 ARG 71 OK 98 100 100 98 2.3-3.0 3.0=95, 2.8/2946=11...(33) HG2 ARG 26 + HD3 ARG 26 OK 70 71 100 99 2.3-3.0 3.0=99, 529/6.1=10...(30) HG2 ARG 26 + HD2 ARG 26 OK 68 68 100 99 2.3-3.0 3.0=99, 529/6.1=10...(30) HG3 ARG 70 + HD3 ARG 70 OK 56 57 100 99 2.3-3.0 3.0=99, 2873/5.3=15...(8) HG3 ARG 70 + HD2 ARG 70 OK 56 56 100 99 2.3-3.0 3.0=99, 2873/5.3=15...(8) HG3 ARG 70 - HD3 ARG 71 far 5 99 5 - 3.4-8.5 HG2 ARG 27 - HD2 ARG 26 far 3 61 5 - 3.0-10.6 HG2 ARG 71 - HD3 ARG 70 far 3 59 5 - 3.7-8.1 HG2 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.2-8.3 HG2 ARG 27 - HD3 ARG 26 far 0 63 0 - 4.3-10.5 HG3 ARG 27 - HD2 ARG 26 far 0 60 0 - 4.6-10.3 HG3 ARG 27 - HD3 ARG 71 far 0 95 0 - 5.0-12.5 HD2 LYS 73 - HD3 ARG 70 far 0 55 0 - 5.1-12.6 HG3 ARG 27 - HD3 ARG 26 far 0 62 0 - 5.5-10.2 HD2 LYS 73 - HD2 ARG 70 far 0 55 0 - 6.0-13.0 HD3 LYS 73 - HD3 ARG 70 far 0 55 0 - 6.2-12.8 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 6.3-12.3 HG2 ARG 84 - HD2 ARG 66 far 0 32 0 - 6.3-33.1 HG3 ARG 84 - HD2 ARG 66 far 0 32 0 - 6.4-34.9 HG2 ARG 27 - HD3 ARG 71 far 0 96 0 - 6.5-12.2 HD3 LYS 73 - HD2 ARG 70 far 0 55 0 - 6.7-12.2 HB2 LEU 86 - HD2 ARG 66 far 0 55 0 - 6.8-39.6 HG3 ARG 70 - HD2 ARG 66 far 0 54 0 - 7.2-13.3 HG3 ARG 84 - HD3 ARG 66 far 0 30 0 - 7.8-33.5 HG2 ARG 84 - HD3 ARG 66 far 0 30 0 - 7.8-33.1 HB2 LEU 86 - HD3 ARG 66 far 0 53 0 - 7.9-39.8 HG LEU 86 - HD2 ARG 66 far 0 39 0 - 8.0-41.9 HG2 ARG 17 - HD2 ARG 26 far 0 68 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 71 0 - 8.2-19.7 HG2 ARG 71 - HD2 ARG 66 far 0 56 0 - 8.3-14.3 HB3 LEU 51 - HD2 ARG 66 far 0 40 0 - 8.6-14.1 HG3 ARG 27 - HD3 ARG 70 far 0 52 0 - 8.7-16.4 HG LEU 86 - HD3 ARG 66 far 0 37 0 - 8.7-42.2 HB3 LEU 51 - HD3 ARG 66 far 0 39 0 - 8.7-14.9 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.8-13.7 HG3 ARG 17 - HD3 ARG 26 far 0 71 0 - 9.1-20.4 HG2 ARG 26 - HD3 ARG 71 far 0 100 0 - 9.2-16.8 HG3 ARG 17 - HD2 ARG 26 far 0 68 0 - 9.3-20.9 HG2 ARG 27 - HD3 ARG 70 far 0 53 0 - 9.4-17.4 HD3 LYS 73 - HD3 ARG 71 far 0 98 0 - 9.4-13.7 HG2 ARG 71 - HD2 ARG 26 far 0 68 0 - 9.7-19.0 HD2 LYS 73 - HD3 ARG 71 far 0 98 0 - 9.8-14.0 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 22 assignments used, quality = 1.00: * HG3 ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.3-3.0 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 6 59 10 - 3.6-8.7 HB3 LYS 73 - HD2 ARG 70 far 0 33 0 - 4.2-10.0 HB3 LYS 73 - HD3 ARG 70 far 0 33 0 - 4.4-9.8 HB2 ARG 84 - HD2 ARG 66 far 0 33 0 - 4.4-34.2 HG3 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.6-7.9 HB2 LEU 62 - HD3 ARG 66 far 0 53 0 - 4.8-8.3 HB2 LEU 62 - HD2 ARG 66 far 0 55 0 - 5.1-8.2 HB2 ARG 84 - HD3 ARG 66 far 0 32 0 - 5.5-34.5 HG3 ARG 71 - HD2 ARG 66 far 0 56 0 - 8.0-12.7 HB2 LEU 57 - HD3 ARG 66 far 0 45 0 - 8.2-11.9 HG3 ARG 26 - HD3 ARG 71 far 0 100 0 - 8.3-17.7 HB2 LEU 57 - HD2 ARG 66 far 0 47 0 - 8.4-11.8 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.5-12.3 HB2 ARG 84 - HD3 ARG 70 far 0 35 0 - 8.9-32.6 HB3 LYS 73 - HD3 ARG 71 far 0 68 0 - 9.3-10.7 HB3 ARG 17 - HD3 ARG 26 far 0 68 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 65 0 - 9.5-20.0 HB2 ARG 84 - HD2 ARG 70 far 0 34 0 - 9.5-31.8 HB ILE 33 - HD3 ARG 71 far 0 89 0 - 10.0-17.0 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 29 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 - 3.3-11.1 HD2 ARG 71 - HD3 ARG 70 far 0 59 0 - 3.4-9.9 HD2 ARG 84 - HD2 ARG 66 far 0 54 0 - 4.1-34.7 HD2 ARG 23 - HD2 ARG 26 far 0 41 0 - 4.4-10.4 HD3 ARG 27 - HD2 ARG 26 far 0 34 0 - 4.5-10.6 HD3 ARG 84 - HD2 ARG 66 far 0 53 0 - 4.5-34.1 HD2 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.6-10.2 HD3 ARG 23 - HD3 ARG 26 far 0 43 0 - 5.1-11.6 HD3 ARG 23 - HD3 ARG 71 far 0 71 0 - 5.1-14.3 HD2 ARG 27 - HD3 ARG 71 far 0 60 0 - 5.2-13.8 HD2 ARG 23 - HD3 ARG 71 far 0 71 0 - 5.5-15.7 HD3 ARG 27 - HD3 ARG 26 far 0 35 0 - 5.6-11.1 HD2 ARG 84 - HD3 ARG 66 far 0 52 0 - 5.6-35.3 HD2 ARG 27 - HD2 ARG 26 far 0 34 0 - 5.8-10.4 HD2 ARG 23 - HD3 ARG 26 far 0 43 0 - 5.9-11.2 HD3 ARG 84 - HD3 ARG 66 far 0 51 0 - 6.1-34.1 HD3 ARG 27 - HD3 ARG 71 far 0 60 0 - 6.6-13.0 HD2 ARG 27 - HD3 ARG 26 far 0 35 0 - 7.0-10.4 HB2 PHE 48 - HD2 ARG 66 far 0 46 0 - 7.0-13.7 HB2 PHE 48 - HD3 ARG 66 far 0 44 0 - 8.1-13.5 HD2 ARG 27 - HD2 ARG 70 far 0 28 0 - 8.5-18.7 HD2 ARG 84 - HD3 ARG 70 far 0 57 0 - 8.8-32.9 HD3 ARG 27 - HD2 ARG 70 far 0 28 0 - 8.9-19.4 HB2 PHE 48 - HD3 ARG 70 far 0 48 0 - 9.3-14.8 HD2 ARG 84 - HD2 ARG 70 far 0 56 0 - 9.4-33.0 HD3 ARG 23 - HD3 ARG 70 far 0 35 0 - 9.5-18.2 HD2 ARG 82 - HD3 ARG 66 far 0 52 0 - 9.9-28.5 HD3 ARG 17 - HD3 ARG 26 far 0 52 0 - 9.9-21.1 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 99 100 100 2.7-3.6 3.6=97, 2955/1.8=36...(8) H ARG 69 - HA2 GLY 72 far 0 99 0 - 5.2-7.2 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 2.8-3.6 3.6=96, 2952/1.8=36...(6) H ARG 69 - HA3 GLY 72 far 0 99 0 - 5.4-8.3 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 6 assignments used, quality = 1.00: * HA2 GLY 72 + HA3 GLY 72 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 21 - HA3 GLY 72 far 0 96 0 - 3.9-17.4 HA2 GLY 21 - HA3 GLY 72 far 0 97 0 - 4.9-16.6 HA VAL 76 - HA3 GLY 72 far 0 100 0 - 6.7-14.2 HA THR 37 - HA3 GLY 72 far 0 65 0 - 7.2-11.3 HA ARG 66 - HA3 GLY 72 far 0 93 0 - 8.9-11.8 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 61 61 100 100 3.5-3.6 3.6=95, 908/3.0=68...(13) H GLY 72 - HA LYS 73 far 0 98 0 - 4.9-5.4 H ARG 69 - HA LYS 73 far 0 91 0 - 8.2-9.4 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 9 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 99 99 100 100 2.3-2.9 3.0=99, 787/3.0=45...(15) HB3 ARG 84 + HA ARG 84 OK 77 77 100 100 2.3-2.7 3.0=100 HB2 LYS 85 - HA ARG 84 far 0 77 0 - 4.1-6.6 HB2 LYS 75 - HA LYS 73 far 0 80 0 - 4.5-9.4 HB3 ARG 84 - HA ARG 82 far 0 38 0 - 5.2-9.3 HB2 ARG 17 - HA LEU 29 far 0 56 0 - 5.6-21.2 HB2 LYS 85 - HA ARG 82 far 0 38 0 - 6.0-13.0 HB2 ARG 69 - HA LYS 73 far 0 80 0 - 7.9-9.3 HB ILE 89 - HA ARG 84 far 0 97 0 - 9.6-19.2 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 20 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 99 99 100 100 2.8-3.0 3.0=96, 788/3.0=45...(17) HB3 ARG 84 + HA ARG 84 OK 65 65 100 99 2.3-2.7 3.0=97, 4.6/377=19...(24) HB3 ARG 82 + HA ARG 82 OK 47 48 100 100 2.3-3.0 3.0=98, 5479/3.8=33...(11) HB ILE 33 - HA LEU 29 far 3 66 5 - 3.9-6.1 HB2 LYS 85 - HA ARG 84 far 0 65 0 - 4.1-6.6 HB2 LYS 83 - HA ARG 84 far 0 97 0 - 4.3-5.8 HB2 LYS 83 - HA ARG 82 far 0 53 0 - 4.3-5.7 HB3 LYS 75 - HA LYS 73 far 0 95 0 - 4.6-9.5 HB3 ARG 84 - HA ARG 82 far 0 31 0 - 5.2-9.3 HB2 LYS 32 - HA LEU 29 far 0 70 0 - 5.3-7.3 HB3 LYS 32 - HA LEU 29 far 0 70 0 - 5.5-7.2 HB2 LYS 85 - HA ARG 82 far 0 31 0 - 6.0-13.0 HB3 ARG 82 - HA ARG 84 far 0 91 0 - 6.2-8.7 HB2 LYS 13 - HA LEU 29 far 0 63 0 - 7.1-22.5 HG3 ARG 26 - HA LEU 29 far 0 35 0 - 7.9-9.7 HB2 ARG 69 - HA LYS 73 far 0 68 0 - 7.9-9.3 HG3 ARG 71 - HA LYS 73 far 0 66 0 - 8.8-9.7 HB2 PRO 34 - HA LEU 29 far 0 70 0 - 9.1-11.7 HG2 PRO 34 - HA LEU 29 far 0 55 0 - 9.3-11.4 HB2 LYS 13 - HA ARG 82 far 0 48 0 - 9.8-61.8 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 6 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 poor 13 65 20 - 3.9-6.6 HG3 LYS 13 - HA ARG 82 far 0 36 0 - 7.7-60.2 HG3 LYS 85 - HA ARG 82 far 0 31 0 - 7.9-12.8 HG3 LYS 13 - HA LEU 29 far 0 48 0 - 8.0-25.0 QB ALA 63 - HA ARG 84 far 0 94 0 - 9.6-30.5 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 2.1-3.8 3.8=80, 2998/3.0=36...(32) HG2 LYS 85 - HA ARG 84 poor 19 93 20 - 3.7-6.8 HG2 LYS 83 - HA ARG 84 poor 14 79 30 58 3.7-6.9 2.9/6062=17, ~368=10...(8) HG2 LYS 83 - HA ARG 82 far 6 40 15 - 3.9-7.1 HG3 LYS 75 - HA LYS 73 far 5 99 5 - 4.0-10.1 QB ALA 77 - HA LYS 73 far 5 93 5 - 4.0-13.2 QB ALA 16 - HA LEU 29 far 4 37 10 - 2.5-16.9 HG2 LYS 75 - HA LYS 73 far 0 99 0 - 5.0-10.5 HG3 ARG 69 - HA LYS 73 far 0 94 0 - 5.8-8.3 QB ALA 20 - HA LEU 29 far 0 65 0 - 6.0-14.6 QB ALA 20 - HA LYS 73 far 0 95 0 - 6.0-20.2 HG2 LYS 85 - HA ARG 82 far 0 50 0 - 6.6-13.0 QB ALA 78 - HA LYS 73 far 0 99 0 - 6.7-15.3 HB3 ARG 69 - HA LYS 73 far 0 97 0 - 6.7-9.3 QB ALA 78 - HA ARG 82 far 0 54 0 - 6.8-11.8 QB ALA 77 - HA ARG 82 far 0 48 0 - 8.2-14.8 QB ALA 53 - HA ARG 84 far 0 96 0 - 9.7-36.2 QB ALA 78 - HA ARG 84 far 0 97 0 - 9.8-15.5 Violated in 2 structures by 0.02 A. Peak 2964 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.43 A): 4 out of 20 assignments used, quality = 0.99: HG2 ARG 84 + HA ARG 84 OK 82 83 100 99 2.2-4.2 3.9=68, 3402/3.0=29...(45) HG3 ARG 84 + HA ARG 84 OK 82 83 100 99 2.6-4.2 3.9=68, 3402/3.0=29...(45) HD3 LYS 73 + HA LYS 73 OK 49 99 50 99 2.1-4.6 2.9/2963=47, 3009=34...(52) * HD2 LYS 73 + HA LYS 73 OK 39 99 40 99 2.0-4.6 2.9/2963=47, 3009=34...(52) HG2 ARG 84 - HA ARG 82 far 4 42 10 - 3.2-8.7 HG3 ARG 84 - HA ARG 82 far 2 42 5 - 3.5-8.8 HB2 LEU 86 - HA ARG 84 far 0 97 0 - 4.9-9.3 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 5.4-8.9 HG LEU 86 - HA ARG 84 far 0 91 0 - 5.5-10.1 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 6.2-8.9 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 6.4-22.4 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.1-9.9 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.1-10.0 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 7.2-22.4 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 7.6-9.5 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 8.2-9.9 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 8.3-9.6 HB3 LEU 62 - HA ARG 84 far 0 73 0 - 9.8-35.6 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 9.8-15.6 HG LEU 86 - HA ARG 82 far 0 48 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.43 A): 4 out of 20 assignments used, quality = 0.99: HG2 ARG 84 + HA ARG 84 OK 82 83 100 99 2.2-4.2 3.9=68, 3402/3.0=29...(45) HG3 ARG 84 + HA ARG 84 OK 82 83 100 99 2.6-4.2 3.9=68, 3402/3.0=29...(45) * HD3 LYS 73 + HA LYS 73 OK 49 99 50 99 2.1-4.6 2.9/2963=47, 3009=34...(52) HD2 LYS 73 + HA LYS 73 OK 39 99 40 99 2.0-4.6 2.9/2963=47, 3009=34...(52) HG2 ARG 84 - HA ARG 82 far 4 42 10 - 3.2-8.7 HG3 ARG 84 - HA ARG 82 far 2 42 5 - 3.5-8.8 HB2 LEU 86 - HA ARG 84 far 0 97 0 - 4.9-9.3 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 5.4-8.9 HG LEU 86 - HA ARG 84 far 0 91 0 - 5.5-10.1 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 6.2-8.9 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 6.4-22.4 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.1-9.9 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.1-10.0 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 7.2-22.4 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 7.6-9.5 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 8.2-9.9 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 8.3-9.6 HB3 LEU 62 - HA ARG 84 far 0 73 0 - 9.8-35.6 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 9.8-15.6 HG LEU 86 - HA ARG 82 far 0 48 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (8.00, 1.82, 32.45 ppm; 3.82 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.1-3.1 787=100, 788/1.8=90...(22) H GLY 72 + HB2 LYS 73 OK 63 99 75 85 4.2-5.3 3.0/5844=44, 4.5/787=44...(9) H ARG 69 - HB2 LYS 73 far 0 93 0 - 6.1-8.0 H LYS 73 - HB2 LYS 75 far 0 77 0 - 6.5-9.7 H GLY 72 - HB2 LYS 75 far 0 75 0 - 6.7-11.8 H ARG 69 - HB2 LYS 75 far 0 67 0 - 9.9-14.3 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 8 assignments used, quality = 0.99: * HA LYS 73 + HB2 LYS 73 OK 99 99 100 100 2.3-2.9 3.0=100 HA ARG 84 - HB2 LYS 85 far 4 78 5 - 4.1-6.6 HA LYS 73 - HB2 LYS 75 far 0 74 0 - 4.5-9.4 HA ARG 82 - HB2 LYS 85 far 0 74 0 - 6.0-13.0 HA ALA 78 - HB2 LYS 73 far 0 81 0 - 7.0-17.3 HA ALA 78 - HB2 LYS 75 far 0 55 0 - 7.4-10.8 HA GLN 79 - HB2 LYS 85 far 0 70 0 - 7.7-20.9 HA ILE 89 - HB2 LYS 85 far 0 65 0 - 8.1-13.2 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 11 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 LYS 73 - HB2 LYS 75 far 0 77 0 - 3.7-9.9 HB3 LYS 75 - HB2 LYS 73 far 0 97 0 - 3.7-9.6 HB3 ARG 82 - HB2 LYS 85 far 0 70 0 - 5.1-13.4 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 5.2-7.7 HB2 LYS 83 - HB2 LYS 85 far 0 77 0 - 5.3-10.6 HB2 ARG 69 - HB2 LYS 73 far 0 71 0 - 5.4-7.3 HG3 ARG 71 - HB2 LYS 73 far 0 68 0 - 7.6-9.3 HG3 ARG 71 - HB2 LYS 75 far 0 45 0 - 8.2-14.6 HB2 ARG 69 - HB2 LYS 75 far 0 47 0 - 8.4-15.1 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 2.2-3.0 2.9=100 HG2 LYS 73 - HB2 LYS 75 far 4 77 5 - 3.9-11.8 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 20 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 75 + HB2 LYS 75 OK 77 77 100 100 2.2-3.0 2.7=100 HG2 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 LYS 73 - HB2 LYS 75 poor 19 77 25 - 3.8-10.7 HG3 ARG 69 - HB2 LYS 73 poor 17 97 35 49 3.0-5.7 5983/15061=11, 2818=10...(10) HB3 ARG 69 - HB2 LYS 73 far 5 99 5 - 3.9-7.5 QB ALA 77 - HB2 LYS 73 far 5 96 5 - 3.7-13.0 QB ALA 20 - HB2 LYS 75 far 4 72 5 - 3.4-23.9 QB ALA 77 - HB2 LYS 75 far 3 69 5 - 3.3-7.8 HG2 LYS 83 - HB2 LYS 85 far 3 60 5 - 3.8-11.4 QB ALA 78 - HB2 LYS 73 far 0 100 0 - 4.7-15.3 HG3 LYS 75 - HB2 LYS 73 far 0 100 0 - 5.5-10.3 HG2 LYS 75 - HB2 LYS 73 far 0 100 0 - 5.6-10.6 HG3 ARG 69 - HB2 LYS 75 far 0 70 0 - 6.2-14.2 QB ALA 78 - HB2 LYS 75 far 0 77 0 - 6.4-10.3 QB ALA 20 - HB2 LYS 73 far 0 97 0 - 7.0-20.0 HB3 ARG 69 - HB2 LYS 75 far 0 74 0 - 7.2-15.0 QB ALA 77 - HB2 LYS 85 far 0 70 0 - 8.1-23.4 QB ALA 53 - HB2 LYS 85 far 0 77 0 - 9.8-39.0 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: HD3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.0 3.5=100 * HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.8 3.5=100 HG LEU 86 - HB2 LYS 85 poor 14 70 20 - 4.3-8.4 HB2 LEU 86 - HB2 LYS 85 far 12 77 15 - 3.9-6.3 HD3 LYS 73 - HB2 LYS 75 far 12 77 15 - 3.0-12.3 HD2 LYS 73 - HB2 LYS 75 far 4 77 5 - 3.1-12.8 HG3 ARG 70 - HB2 LYS 73 far 0 100 0 - 5.0-8.6 HG3 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.3-10.5 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 6.5-8.4 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 6.7-13.6 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 7.4-15.2 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: * HD3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.0 3.5=100 HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.8 3.5=100 HG LEU 86 - HB2 LYS 85 poor 14 70 20 - 4.3-8.4 HB2 LEU 86 - HB2 LYS 85 far 12 77 15 - 3.9-6.3 HD3 LYS 73 - HB2 LYS 75 far 12 77 15 - 3.0-12.3 HD2 LYS 73 - HB2 LYS 75 far 4 77 5 - 3.1-12.8 HG3 ARG 70 - HB2 LYS 73 far 0 100 0 - 5.0-8.6 HG3 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.3-10.5 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 6.5-8.4 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 6.7-13.6 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 7.4-15.2 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 8 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.0-4.7 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-5.4 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 74 74 100 100 2.4-5.3 5.0=94, 2.9/3118=39...(45) HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 3.1-5.3 5.0=94, 2.9/3118=39...(45) HE3 LYS 75 - HB2 LYS 73 far 5 99 5 - 4.8-12.5 HE3 LYS 73 - HB2 LYS 75 far 4 77 5 - 3.0-13.9 HE2 LYS 73 - HB2 LYS 75 far 4 77 5 - 4.5-14.3 HE2 LYS 75 - HB2 LYS 73 far 0 99 0 - 5.8-13.8 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 8 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-5.4 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.0-4.7 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.4-5.3 5.0=94, 2.9/3118=39...(45) HE2 LYS 75 + HB2 LYS 75 OK 72 73 100 100 3.1-5.3 5.0=94, 2.9/3118=39...(45) HE3 LYS 75 - HB2 LYS 73 far 5 99 5 - 4.8-12.5 HE3 LYS 73 - HB2 LYS 75 far 4 77 5 - 3.0-13.9 HE2 LYS 73 - HB2 LYS 75 far 4 77 5 - 4.5-14.3 HE2 LYS 75 - HB2 LYS 73 far 0 98 0 - 5.8-13.8 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 8 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.4 4.0=100 H GLY 72 - HB3 LYS 73 far 5 99 5 - 4.5-6.1 H LYS 73 - HB3 LYS 75 far 0 93 0 - 5.4-9.4 H ARG 69 - HB3 LYS 73 far 0 93 0 - 6.8-9.4 H GLY 72 - HB3 LYS 75 far 0 91 0 - 7.6-11.4 H ALA 30 - HB2 LYS 13 far 0 85 0 - 8.6-25.1 H ARG 69 - HB3 LYS 75 far 0 82 0 - 9.0-14.2 H ARG 69 - HB3 LYS 39 far 0 92 0 - 9.3-12.1 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 21 assignments used, quality = 0.99: * HA LYS 73 + HB3 LYS 73 OK 99 99 100 100 2.8-3.0 3.0=100 HA ARG 84 - HB2 LYS 85 far 3 66 5 - 4.1-6.6 HA ARG 84 - HB2 LYS 83 far 0 96 0 - 4.3-5.8 HA ARG 82 - HB2 LYS 83 far 0 93 0 - 4.3-5.7 HA LYS 73 - HB3 LYS 75 far 0 90 0 - 4.6-9.5 HB THR 15 - HB2 LYS 13 far 0 78 0 - 5.2-8.8 HA GLN 79 - HB2 LYS 83 far 0 90 0 - 5.7-14.9 HA ARG 82 - HB2 LYS 85 far 0 62 0 - 6.0-13.0 HA ALA 78 - HB3 LYS 73 far 0 81 0 - 6.1-15.8 HA ALA 78 - HB2 LYS 13 far 0 72 0 - 6.4-53.8 HA LEU 29 - HB2 LYS 13 far 0 62 0 - 7.1-22.5 HA GLN 79 - HB2 LYS 85 far 0 59 0 - 7.7-20.9 HA GLN 79 - HB2 LYS 13 far 0 87 0 - 7.7-57.2 HA ILE 89 - HB2 LYS 85 far 0 54 0 - 8.1-13.2 HA ALA 78 - HB2 LYS 83 far 0 74 0 - 8.2-18.1 HB THR 15 - HB3 LYS 39 far 0 85 0 - 8.2-26.7 HA ALA 78 - HB3 LYS 75 far 0 69 0 - 8.5-11.8 HA GLN 79 - HB3 LYS 39 far 0 94 0 - 9.2-32.1 HA GLN 79 - HB3 LYS 75 far 0 85 0 - 9.2-15.4 HA GLN 79 - HB3 LYS 73 far 0 96 0 - 9.5-19.0 HA ARG 82 - HB2 LYS 13 far 0 91 0 - 9.8-61.8 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 13 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 HB2 LYS 75 - HB3 LYS 73 far 0 83 0 - 3.7-9.9 HB2 LYS 73 - HB3 LYS 75 far 0 93 0 - 3.7-9.6 HB3 ARG 84 - HB2 LYS 83 far 0 76 0 - 5.0-7.5 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 5.2-7.7 HB2 LYS 85 - HB2 LYS 83 far 0 76 0 - 5.3-10.6 HB2 ARG 69 - HB3 LYS 73 far 0 83 0 - 5.9-8.8 HB2 ARG 69 - HB3 LYS 75 far 0 72 0 - 7.5-14.2 HB2 ARG 23 - HB3 LYS 75 far 0 63 0 - 8.5-25.3 HB2 ARG 69 - HB3 LYS 39 far 0 81 0 - 9.1-12.5 HB2 ARG 17 - HB2 LYS 13 far 0 80 0 - 9.4-15.0 HB3 ARG 23 - HB3 LYS 75 far 0 60 0 - 10.0-25.5 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 7 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 far 9 93 10 - 2.2-11.0 HG3 LYS 85 - HB2 LYS 83 far 3 64 5 - 4.0-11.1 HG3 LYS 13 - HB3 LYS 39 far 0 77 0 - 8.8-31.4 HB3 LEU 52 - HB3 LYS 39 far 0 99 0 - 9.8-14.0 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 34 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-2.7 2.9=100 HG3 LYS 75 + HB3 LYS 75 OK 92 92 100 100 2.2-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 92 92 100 100 2.2-3.0 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 HG3 LYS 73 - HB3 LYS 75 far 14 93 15 - 2.7-10.8 HG3 ARG 69 - HB3 LYS 73 far 10 97 10 - 3.2-7.4 HG2 LYS 75 - HB3 LYS 73 far 5 100 5 - 3.9-9.7 QB ALA 77 - HB3 LYS 73 far 5 96 5 - 2.4-12.2 QB ALA 20 - HB3 LYS 75 far 4 87 5 - 2.9-23.8 HG2 LYS 83 - HB2 LYS 85 far 2 50 5 - 3.8-11.4 HG3 LYS 75 - HB3 LYS 73 far 0 100 0 - 4.2-9.3 QB ALA 78 - HB3 LYS 73 far 0 100 0 - 4.3-14.6 QB ALA 77 - HB3 LYS 75 far 0 85 0 - 4.3-8.1 HG3 ARG 69 - HB3 LYS 75 far 0 86 0 - 5.0-13.3 HB3 ARG 69 - HB3 LYS 73 far 0 99 0 - 5.0-9.2 HG2 LYS 85 - HB2 LYS 83 far 0 92 0 - 5.1-11.3 QB ALA 16 - HB2 LYS 13 far 0 55 0 - 5.7-9.4 QB ALA 16 - HB3 LYS 39 far 0 61 0 - 5.8-18.8 QB ALA 78 - HB2 LYS 13 far 0 95 0 - 6.0-44.9 HB3 ARG 69 - HB3 LYS 75 far 0 90 0 - 6.4-14.1 QB ALA 78 - HB2 LYS 83 far 0 96 0 - 6.9-15.3 QB ALA 77 - HB2 LYS 83 far 0 90 0 - 7.0-19.0 QB ALA 20 - HB3 LYS 73 far 0 97 0 - 7.6-21.0 QB ALA 78 - HB3 LYS 75 far 0 93 0 - 7.8-10.8 QB ALA 77 - HB2 LYS 85 far 0 59 0 - 8.1-23.4 HB3 ARG 69 - HB3 LYS 39 far 0 98 0 - 8.2-12.1 QB ALA 20 - HB3 LYS 39 far 0 96 0 - 8.3-19.2 HG3 LYS 39 - HB2 LYS 13 far 0 80 0 - 8.6-30.7 HG3 ARG 69 - HB3 LYS 39 far 0 95 0 - 8.8-12.9 QB ALA 77 - HB2 LYS 13 far 0 87 0 - 9.5-42.4 QB ALA 53 - HB2 LYS 85 far 0 65 0 - 9.8-39.0 QB ALA 20 - HB2 LYS 13 far 0 90 0 - 10.0-20.6 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 27 assignments used, quality = 1.00: * HD2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.8-3.7 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.3-3.9 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.2-3.7 3.5=100 HD2 LYS 73 - HB3 LYS 75 far 14 93 15 - 3.6-12.7 HD3 LYS 73 - HB3 LYS 75 far 14 93 15 - 3.6-11.8 HB2 LEU 86 - HB2 LYS 85 far 7 65 10 - 3.9-6.3 HG LEU 86 - HB2 LYS 85 far 6 59 10 - 4.3-8.4 HD2 LYS 32 - HB2 LYS 13 far 5 95 5 - 3.2-25.8 HD3 LYS 32 - HB2 LYS 13 far 5 94 5 - 4.6-24.4 HG3 ARG 84 - HB2 LYS 83 far 4 82 5 - 2.2-7.7 HG2 ARG 84 - HB2 LYS 83 far 4 82 5 - 3.8-7.1 HB3 LEU 51 - HB3 LYS 39 far 0 95 0 - 4.9-9.0 HG3 ARG 70 - HB3 LYS 73 far 0 100 0 - 5.2-8.5 HG3 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.6 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 6.2-14.6 HD2 LYS 39 - HB2 LYS 13 far 0 57 0 - 6.3-30.6 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 6.3-14.2 HG2 ARG 71 - HB3 LYS 75 far 0 88 0 - 6.4-15.2 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 6.5-8.4 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 6.7-13.7 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 7.1-28.8 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 7.1-16.4 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 7.5-9.9 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.1-15.2 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.6-23.0 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.9-22.6 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 27 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.0-4.2 3.5=100 * HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.8-3.7 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.3-3.9 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.2-3.7 3.5=100 HD2 LYS 73 - HB3 LYS 75 far 14 93 15 - 3.6-12.7 HD3 LYS 73 - HB3 LYS 75 far 14 93 15 - 3.6-11.8 HB2 LEU 86 - HB2 LYS 85 far 7 65 10 - 3.9-6.3 HG LEU 86 - HB2 LYS 85 far 6 59 10 - 4.3-8.4 HD2 LYS 32 - HB2 LYS 13 far 5 95 5 - 3.2-25.8 HD3 LYS 32 - HB2 LYS 13 far 5 94 5 - 4.6-24.4 HG3 ARG 84 - HB2 LYS 83 far 4 82 5 - 2.2-7.7 HG2 ARG 84 - HB2 LYS 83 far 4 82 5 - 3.8-7.1 HB3 LEU 51 - HB3 LYS 39 far 0 95 0 - 4.9-9.0 HG3 ARG 70 - HB3 LYS 73 far 0 100 0 - 5.2-8.5 HG3 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.6 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 6.2-14.6 HD2 LYS 39 - HB2 LYS 13 far 0 57 0 - 6.3-30.6 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 6.3-14.2 HG2 ARG 71 - HB3 LYS 75 far 0 88 0 - 6.4-15.2 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 6.5-8.4 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 6.7-13.7 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 7.1-28.8 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 7.1-16.4 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 7.5-9.9 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.1-15.2 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.6-23.0 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.9-22.6 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 21 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.0-4.8 4.7=96, ~3020=33...(35) * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.9-5.4 4.7=96, ~3020=33...(35) HE3 LYS 75 + HB3 LYS 75 OK 90 90 100 100 2.5-5.2 5.0=81, ~3128=31...(36) HE2 LYS 75 + HB3 LYS 75 OK 89 89 100 100 2.0-5.2 5.0=81, ~3128=31...(36) HE3 LYS 13 + HB2 LYS 13 OK 86 86 100 100 2.0-5.1 5.2=69, 1074/3.0=26...(37) HE2 LYS 13 + HB2 LYS 13 OK 84 85 100 100 2.4-4.8 5.2=69, 1074/3.0=25...(29) HE2 LYS 39 + HB3 LYS 39 OK 72 72 100 100 2.0-5.3 4.7=96, 1906/2.9=31...(44) HE3 LYS 39 + HB3 LYS 39 OK 67 67 100 100 3.0-5.0 4.7=96, 1906/2.9=31...(45) HE3 LYS 75 - HB3 LYS 73 far 10 99 10 - 3.7-11.6 HE2 LYS 32 - HB2 LYS 13 far 9 95 10 - 4.2-25.8 HE3 LYS 32 - HB2 LYS 13 far 9 95 10 - 5.2-25.1 HE3 LYS 73 - HB3 LYS 75 far 9 92 10 - 4.2-12.7 HE2 LYS 75 - HB3 LYS 73 far 5 99 5 - 5.1-12.9 HE2 LYS 73 - HB3 LYS 75 far 5 93 5 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 3 62 5 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 60 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 67 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 60 0 - 8.2-30.8 HB3 TYR 55 - HB3 LYS 39 far 0 92 0 - 8.9-12.5 HE2 LYS 39 - HB2 LYS 13 far 0 65 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 68 0 - 9.7-21.7 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 21 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.0-4.8 4.7=96, ~3020=33...(35) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.9-5.4 4.7=96, ~3020=33...(35) HE3 LYS 75 + HB3 LYS 75 OK 89 89 100 100 2.5-5.2 5.0=81, ~3128=31...(36) HE2 LYS 75 + HB3 LYS 75 OK 88 88 100 100 2.0-5.2 5.0=81, ~3128=31...(36) HE3 LYS 13 + HB2 LYS 13 OK 85 85 100 100 2.0-5.1 5.2=69, 1074/3.0=26...(37) HE2 LYS 13 + HB2 LYS 13 OK 83 83 100 100 2.4-4.8 5.2=69, 1074/3.0=24...(29) HE2 LYS 39 + HB3 LYS 39 OK 69 69 100 100 2.0-5.3 4.7=96, ~1838=30...(44) HE3 LYS 39 + HB3 LYS 39 OK 64 64 100 100 3.0-5.0 4.7=96, ~1838=30...(45) HE3 LYS 75 - HB3 LYS 73 far 10 99 10 - 3.7-11.6 HE2 LYS 32 - HB2 LYS 13 far 9 95 10 - 4.2-25.8 HE3 LYS 32 - HB2 LYS 13 far 9 94 10 - 5.2-25.1 HE3 LYS 73 - HB3 LYS 75 far 9 93 10 - 4.2-12.7 HE2 LYS 75 - HB3 LYS 73 far 5 98 5 - 5.1-12.9 HE2 LYS 73 - HB3 LYS 75 far 5 92 5 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 3 59 5 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 57 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 64 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 57 0 - 8.2-30.8 HB3 TYR 55 - HB3 LYS 39 far 0 93 0 - 8.9-12.5 HE2 LYS 39 - HB2 LYS 13 far 0 62 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 65 0 - 9.7-21.7 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 4 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 3.7-4.2 789=100, 788/2.9=86...(21) H GLY 72 - HG2 LYS 73 far 0 99 0 - 6.0-6.5 H ARG 69 - HG2 LYS 73 far 0 93 0 - 7.4-9.2 H ALA 30 - HG3 LYS 13 far 0 67 0 - 9.5-27.5 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 11 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 poor 14 71 30 66 3.9-6.6 377/4.8=39, 6062/2.9=31...(4) HB THR 15 - HG3 LYS 13 far 3 60 5 - 4.9-10.9 HA GLN 79 - HG3 LYS 13 far 0 69 0 - 7.2-56.0 HA ALA 78 - HG3 LYS 13 far 0 55 0 - 7.3-52.7 HA ALA 78 - HG2 LYS 73 far 0 81 0 - 7.5-18.5 HA ARG 82 - HG3 LYS 13 far 0 73 0 - 7.7-60.2 HA ARG 82 - HG3 LYS 85 far 0 66 0 - 7.9-12.8 HA LEU 29 - HG3 LYS 13 far 0 47 0 - 8.0-25.0 HA ILE 89 - HG3 LYS 85 far 0 58 0 - 9.0-16.0 HA GLN 79 - HG3 LYS 85 far 0 63 0 - 9.8-21.2 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 2.2-3.0 2.9=100 HB2 LYS 75 - HG2 LYS 73 far 4 83 5 - 3.9-11.8 HB3 ARG 84 - HG3 LYS 85 far 3 52 5 - 4.0-8.4 HB2 ARG 69 - HG2 LYS 73 far 0 83 0 - 6.3-8.6 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 13 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HB3 LYS 75 - HG2 LYS 73 far 10 97 10 - 2.2-11.0 HB2 LYS 83 - HG3 LYS 85 far 3 70 5 - 4.0-11.1 HB3 ARG 84 - HG3 LYS 85 far 2 43 5 - 4.0-8.4 HB3 ARG 82 - HG3 LYS 13 far 0 69 0 - 6.1-58.5 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 6.3-8.6 HB3 LYS 32 - HG3 LYS 13 far 0 76 0 - 6.7-25.4 HB3 ARG 82 - HG3 LYS 85 far 0 63 0 - 6.9-14.3 HB2 LYS 32 - HG3 LYS 13 far 0 76 0 - 8.3-27.1 HB3 LYS 39 - HG3 LYS 13 far 0 75 0 - 8.8-31.4 HG3 ARG 71 - HG2 LYS 73 far 0 68 0 - 9.5-11.0 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 LYS 75 - HG2 LYS 73 far 5 100 5 - 3.1-11.4 HG2 LYS 83 - HG3 LYS 85 far 3 53 5 - 2.2-11.6 QB ALA 77 - HG2 LYS 73 far 0 96 0 - 3.8-14.4 HG2 LYS 75 - HG2 LYS 73 far 0 100 0 - 4.4-12.2 HG3 ARG 69 - HG2 LYS 73 far 0 97 0 - 4.5-7.4 QB ALA 78 - HG2 LYS 73 far 0 100 0 - 5.6-16.8 HB3 ARG 69 - HG2 LYS 73 far 0 99 0 - 5.8-8.2 QB ALA 16 - HG3 LYS 13 far 0 41 0 - 6.2-11.6 QB ALA 78 - HG3 LYS 13 far 0 77 0 - 6.8-44.0 QB ALA 53 - HG3 LYS 85 far 0 69 0 - 8.3-38.8 QB ALA 20 - HG2 LYS 73 far 0 97 0 - 8.8-21.1 QB ALA 77 - HG3 LYS 85 far 0 63 0 - 9.0-23.2 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 HB2 LEU 86 - HG3 LYS 85 far 3 70 5 - 3.8-8.3 HG3 ARG 84 - HG3 LYS 85 far 3 56 5 - 3.3-9.3 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 4.2-9.7 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 4.5-8.9 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.3-28.0 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 6.0-9.9 HD3 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.3-26.7 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 8.0-11.0 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 8.2-30.3 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 8.5-17.6 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 9.3-17.3 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 9.4-29.2 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 HB2 LEU 86 - HG3 LYS 85 far 3 70 5 - 3.8-8.3 HG3 ARG 84 - HG3 LYS 85 far 3 56 5 - 3.3-9.3 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 4.2-9.7 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 4.5-8.9 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.3-28.0 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 6.0-9.9 HD3 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.3-26.7 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 8.0-11.0 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 8.2-30.3 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 8.5-17.6 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 9.3-17.3 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 9.4-29.2 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 2.1-4.2 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.0-3.7 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 68 68 100 100 2.2-4.1 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.3-4.2 3.8=100 HE2 LYS 75 - HG2 LYS 73 far 10 99 10 - 4.1-14.2 HE3 LYS 75 - HG2 LYS 73 far 5 99 5 - 3.8-13.1 HE2 LYS 32 - HG3 LYS 13 far 4 77 5 - 4.0-27.2 HE3 LYS 32 - HG3 LYS 13 far 4 77 5 - 5.0-26.9 HB3 TYR 81 - HG3 LYS 13 far 0 45 0 - 5.4-57.9 HB3 TYR 81 - HG3 LYS 85 far 0 41 0 - 8.7-17.1 HE3 LYS 39 - HG3 LYS 13 far 0 45 0 - 9.8-31.5 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: * HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.0-3.7 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.2-4.1 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 65 65 100 100 2.3-4.2 3.8=100 HE2 LYS 75 - HG2 LYS 73 far 10 98 10 - 4.1-14.2 HE3 LYS 75 - HG2 LYS 73 far 5 99 5 - 3.8-13.1 HE2 LYS 32 - HG3 LYS 13 far 4 77 5 - 4.0-27.2 HE3 LYS 32 - HG3 LYS 13 far 4 77 5 - 5.0-26.9 HB3 TYR 81 - HG3 LYS 13 far 0 43 0 - 5.4-57.9 HB3 TYR 81 - HG3 LYS 85 far 0 39 0 - 8.7-17.1 HE3 LYS 39 - HG3 LYS 13 far 0 43 0 - 9.8-31.5 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 7 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 4.2-4.7 789/1.8=93, 788/2.9=89...(20) H GLY 72 - HG3 LYS 75 far 0 59 0 - 6.2-12.6 H LYS 73 - HG3 LYS 75 far 0 61 0 - 6.3-10.6 H GLY 72 - HG3 LYS 73 far 0 99 0 - 6.7-7.4 H LYS 73 - HG2 LYS 75 far 0 61 0 - 7.3-10.9 H GLY 72 - HG2 LYS 75 far 0 59 0 - 7.5-12.4 H ARG 69 - HG3 LYS 73 far 0 93 0 - 8.3-10.2 Violated in 3 structures by 0.01 A. Peak 2999 from cnoeabs.peaks (4.18, 1.39, 24.53 ppm; 3.68 A): 1 out of 16 assignments used, quality = 0.99: * HA LYS 73 + HG3 LYS 73 OK 99 99 100 100 2.1-3.8 3.8=95, 3.0/2998=41...(33) HA ARG 84 - HG2 LYS 85 poor 16 97 30 54 3.7-6.8 377/4.8=30, 6062/2.9=25...(4) HA ARG 84 - HG2 LYS 83 poor 15 79 30 64 3.7-6.9 6062/2.9=19, 2963=12...(8) HA ARG 82 - HG2 LYS 83 far 11 75 15 - 3.9-7.1 HA LYS 73 - HG3 LYS 75 far 3 59 5 - 4.0-10.1 HA GLN 79 - HG2 LYS 83 far 0 71 0 - 4.9-15.4 HA LYS 73 - HG2 LYS 75 far 0 59 0 - 5.0-10.5 HA ALA 78 - HG2 LYS 75 far 0 42 0 - 6.4-13.3 HA ARG 82 - HG2 LYS 85 far 0 94 0 - 6.6-13.0 HA ALA 78 - HG3 LYS 73 far 0 81 0 - 6.9-17.7 HA ALA 78 - HG2 LYS 83 far 0 57 0 - 7.7-18.1 HA ALA 78 - HG3 LYS 75 far 0 42 0 - 8.0-13.1 HA GLN 79 - HG2 LYS 75 far 0 55 0 - 8.5-16.8 HA GLN 79 - HG2 LYS 85 far 0 91 0 - 8.7-22.3 HA ILE 89 - HG2 LYS 83 far 0 65 0 - 9.0-20.8 HA ILE 89 - HG2 LYS 85 far 0 85 0 - 9.2-14.9 Violated in 1 structures by 0.01 A. Peak 3000 from cnoeabs.peaks (1.82, 1.39, 24.53 ppm; 3.15 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 75 + HG3 LYS 75 OK 44 44 100 100 2.2-3.0 2.7=100 HB2 LYS 75 + HG2 LYS 75 OK 44 44 100 100 2.3-3.0 2.7=100 HB2 LYS 75 - HG3 LYS 73 poor 17 83 20 - 3.8-10.7 HB3 ARG 84 - HG2 LYS 85 far 8 77 10 - 3.2-8.8 HB3 ARG 84 - HG2 LYS 83 far 3 59 5 - 3.8-8.1 HB2 LYS 85 - HG2 LYS 83 far 3 59 5 - 3.8-11.4 HB2 LYS 73 - HG3 LYS 75 far 0 61 0 - 5.5-10.3 HB2 LYS 73 - HG2 LYS 75 far 0 61 0 - 5.6-10.6 HB2 ARG 69 - HG3 LYS 73 far 0 83 0 - 7.4-9.5 HB2 ARG 23 - HG2 LYS 75 far 0 38 0 - 7.9-24.4 HB2 ARG 23 - HG3 LYS 75 far 0 38 0 - 8.6-23.6 HB3 ARG 23 - HG2 LYS 75 far 0 36 0 - 9.6-24.4 HB2 ARG 69 - HG2 LYS 75 far 0 44 0 - 9.7-16.2 HB2 ARG 69 - HG3 LYS 75 far 0 44 0 - 9.8-15.7 HB3 ARG 23 - HG3 LYS 75 far 0 36 0 - 9.9-23.8 HB ILE 89 - HG2 LYS 83 far 0 79 0 - 9.9-22.4 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 2.2-2.7 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 2.2-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 56 56 100 100 2.2-3.0 2.7=100 HB3 LYS 75 - HG3 LYS 73 far 15 97 15 - 2.7-10.8 HB3 ARG 84 - HG2 LYS 85 far 7 66 10 - 3.2-8.8 HB3 LYS 73 - HG2 LYS 75 far 3 61 5 - 3.9-9.7 HB3 ARG 84 - HG2 LYS 83 far 2 49 5 - 3.8-8.1 HB2 LYS 85 - HG2 LYS 83 far 2 49 5 - 3.8-11.4 HB3 LYS 73 - HG3 LYS 75 far 0 61 0 - 4.2-9.3 HB2 LYS 83 - HG2 LYS 85 far 0 97 0 - 5.1-11.3 HB3 ARG 82 - HG2 LYS 85 far 0 91 0 - 5.4-15.0 HB3 ARG 82 - HG2 LYS 83 far 0 71 0 - 5.7-8.4 HB2 ARG 69 - HG3 LYS 73 far 0 71 0 - 7.4-9.5 HG3 ARG 71 - HG3 LYS 75 far 0 35 0 - 7.4-16.4 HG3 ARG 71 - HG2 LYS 75 far 0 35 0 - 8.0-16.2 HB2 ARG 69 - HG2 LYS 75 far 0 36 0 - 9.7-16.2 HB2 ARG 69 - HG3 LYS 75 far 0 36 0 - 9.8-15.7 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 7 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 HG2 LYS 73 - HG3 LYS 75 far 3 61 5 - 3.1-11.4 HG3 LYS 85 - HG2 LYS 83 far 2 49 5 - 2.2-11.6 HG2 LYS 73 - HG2 LYS 75 far 0 61 0 - 4.4-12.2 QB ALA 63 - HG2 LYS 83 far 0 75 0 - 8.3-30.7 QB ALA 63 - HG2 LYS 85 far 0 95 0 - 9.0-34.8 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 21 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 HD2 LYS 73 - HG3 LYS 75 far 3 61 5 - 2.4-11.2 HD3 LYS 73 - HG3 LYS 75 far 3 61 5 - 3.9-11.8 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.0-8.9 HD2 LYS 73 - HG2 LYS 75 far 0 61 0 - 4.1-12.3 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 4.1-9.9 HB2 LEU 86 - HG2 LYS 85 far 0 97 0 - 4.2-8.1 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.3-7.9 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.4-7.9 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 4.7-16.2 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.0-9.3 HD3 LYS 73 - HG2 LYS 75 far 0 61 0 - 5.2-11.9 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 5.6-15.8 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 6.4-14.3 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 6.6-13.3 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 6.6-16.0 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 7.5-10.0 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 7.5-16.0 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 9.0-11.8 HG3 ARG 70 - HG2 LYS 83 far 0 79 0 - 9.8-31.2 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 21 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 HD2 LYS 73 - HG3 LYS 75 far 3 61 5 - 2.4-11.2 HD3 LYS 73 - HG3 LYS 75 far 3 61 5 - 3.9-11.8 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.0-8.9 HD2 LYS 73 - HG2 LYS 75 far 0 61 0 - 4.1-12.3 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 4.1-9.9 HB2 LEU 86 - HG2 LYS 85 far 0 97 0 - 4.2-8.1 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.3-7.9 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.4-7.9 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 4.7-16.2 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.0-9.3 HD3 LYS 73 - HG2 LYS 75 far 0 61 0 - 5.2-11.9 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 5.6-15.8 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 6.4-14.3 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 6.6-13.3 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 6.6-16.0 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 7.5-10.0 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 7.5-16.0 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 9.0-11.8 HG3 ARG 70 - HG2 LYS 83 far 0 79 0 - 9.8-31.2 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 13 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-4.1 3.7=100 HE3 LYS 75 + HG3 LYS 75 OK 59 59 100 100 2.1-3.9 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 59 59 100 100 2.2-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 58 58 100 100 2.1-4.0 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 58 58 100 100 2.1-4.2 3.5=100 HE2 LYS 75 - HG3 LYS 73 poor 20 99 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 10 99 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 3 61 5 - 4.4-12.6 HB3 TYR 81 - HG2 LYS 83 far 2 47 5 - 3.9-11.4 HE2 LYS 73 - HG3 LYS 75 far 0 61 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 61 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.8-13.6 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 13 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-4.1 3.7=100 HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.6-4.0 3.7=100 HE3 LYS 75 + HG3 LYS 75 OK 58 58 100 100 2.1-3.9 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 58 58 100 100 2.2-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 57 57 100 100 2.1-4.0 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 57 57 100 100 2.1-4.2 3.5=100 HE2 LYS 75 - HG3 LYS 73 poor 20 98 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 10 99 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 3 61 5 - 4.4-12.6 HB3 TYR 81 - HG2 LYS 83 far 2 45 5 - 3.9-11.4 HE2 LYS 73 - HG3 LYS 75 far 0 61 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 61 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.8-13.6 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 4.49 A): 4 out of 12 assignments used, quality = 1.00: H GLY 72 + HG2 ARG 71 OK 96 96 100 100 2.1-5.2 5841/1.8=79, 5.0=73...(14) * H LYS 73 + HD2 LYS 73 OK 90 100 90 100 3.2-5.9 788/3.5=78, 787/3.5=77...(20) H LYS 73 + HD3 LYS 73 OK 35 100 35 100 2.8-5.8 788/3.5=78, 787/3.5=77...(19) H ARG 69 + HG2 ARG 71 OK 31 89 45 78 4.2-6.6 5825/5.0=40, 3.6/5045=30...(8) H LYS 73 - HG2 ARG 71 poor 20 98 20 - 4.4-7.4 H GLY 72 - HD3 LYS 73 far 5 99 5 - 4.9-8.6 H GLY 72 - HD2 LYS 73 far 0 99 0 - 5.6-8.2 H ARG 69 - HD2 LYS 73 far 0 93 0 - 7.1-10.9 H ALA 30 - HD3 LYS 32 far 0 93 0 - 7.1-9.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 7.3-10.3 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.6-9.2 H ARG 69 - HD3 LYS 39 far 0 54 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 3.92 A): 2 out of 15 assignments used, quality = 1.00: HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.1-4.6 2963/2.9=59, 5.2=43...(52) * HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.0-4.6 2963/2.9=59, 5.2=43...(52) HA ALA 78 - HD2 LYS 73 far 4 81 5 - 4.8-18.4 HB THR 15 - HD3 LYS 32 far 0 87 0 - 4.9-26.1 HA ALA 78 - HD3 LYS 73 far 0 81 0 - 5.1-18.2 HB THR 15 - HD2 LYS 32 far 0 87 0 - 5.2-27.6 HA LEU 29 - HD3 LYS 32 far 0 71 0 - 5.4-8.9 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 6.2-8.9 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.1-9.9 HA ALA 78 - HG2 ARG 71 far 0 76 0 - 7.6-21.4 HA GLN 79 - HG2 ARG 71 far 0 91 0 - 7.7-23.7 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 8.6-21.7 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 8.6-21.1 HB THR 15 - HD2 LYS 39 far 0 50 0 - 9.8-26.1 HB THR 15 - HD3 LYS 39 far 0 48 0 - 9.9-24.4 Violated in 9 structures by 0.02 A. Peak 3010 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 2 out of 17 assignments used, quality = 0.99: * HB2 LYS 73 + HD2 LYS 73 OK 92 100 100 92 2.3-3.8 3.5=56, 787/791=17...(42) HB2 LYS 73 + HD3 LYS 73 OK 87 100 95 91 2.2-4.0 3.5=56, 3.0/3009=16...(42) HB2 LYS 75 - HD3 LYS 73 far 8 83 10 - 3.0-12.3 HB2 LYS 75 - HD2 LYS 73 far 4 83 5 - 3.1-12.8 HB3 ARG 23 - HG2 ARG 71 far 3 66 5 - 3.5-12.7 HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 5.2-13.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 6.2-9.5 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.3-10.5 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 7.4-15.2 HB2 ARG 17 - HD3 LYS 39 far 0 50 0 - 8.0-22.2 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 8.1-26.3 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 8.4-27.7 HB2 ARG 69 - HD3 LYS 39 far 0 45 0 - 8.6-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 8.9-13.1 HB2 ARG 17 - HD2 LYS 39 far 0 52 0 - 9.6-22.3 Violated in 3 structures by 0.02 A. Peak 3011 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 9 out of 40 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 95 100 100 95 2.1-3.6 3.5=53, 1581/1.8=12...(39) HB3 LYS 32 + HD3 LYS 32 OK 94 100 100 95 2.0-3.5 3.5=53, 1.8/1571=12...(39) HB3 LYS 73 + HD3 LYS 73 OK 81 100 95 86 2.8-3.7 3.5=50, 3.0/3019=14...(28) HB2 LYS 32 + HD3 LYS 32 OK 71 100 75 95 2.1-4.1 3.5=53, 1.8/1571=15...(39) HB3 LYS 32 + HD2 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=53, 1.8/1581=15...(39) * HB3 LYS 73 + HD2 LYS 73 OK 70 100 80 87 2.0-4.2 3.5=50, 788/791=16...(28) HG3 ARG 71 + HG2 ARG 71 OK 64 64 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 58 64 95 96 2.3-3.9 3.5=50, 2.9/1868=17...(35) HB3 LYS 39 + HD3 LYS 39 OK 56 62 95 96 2.2-3.7 3.5=50, 2.9/1868=17...(37) HB3 LYS 75 - HD2 LYS 73 far 5 97 5 - 3.6-12.7 HB3 LYS 75 - HD3 LYS 73 far 5 97 5 - 3.6-11.8 HB2 LYS 13 - HD2 LYS 32 far 5 96 5 - 3.2-25.8 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 58 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 6.4-15.2 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 7.4-9.4 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 7.5-10.1 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 7.5-10.7 HG3 ARG 26 - HG2 ARG 71 far 0 56 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 7.6-9.3 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 7.6-11.2 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 37 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.7-11.1 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 57 0 - 9.3-14.3 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.8-12.4 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 14 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 - HD2 LYS 32 far 0 78 0 - 5.3-28.0 HG3 LYS 13 - HD3 LYS 32 far 0 78 0 - 6.3-26.7 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.0-11.0 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 8.2-30.3 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 8.7-11.2 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 9.2-13.0 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 9.2-13.7 HB3 LEU 52 - HD3 LYS 39 far 0 62 0 - 9.4-13.4 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 9.4-29.2 HB3 LEU 57 - HD3 LYS 39 far 0 58 0 - 9.6-14.3 QB ALA 63 - HD2 LYS 32 far 0 99 0 - 9.8-14.1 HB3 LEU 52 - HD2 LYS 39 far 0 64 0 - 10.0-13.4 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 36 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 2.3-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 100 100 2.3-3.0 3.0=100 QB ALA 78 - HD2 LYS 73 far 10 100 10 - 3.4-16.9 HG3 LYS 75 - HD3 LYS 73 far 10 100 10 - 3.9-11.8 QB ALA 77 - HD3 LYS 73 far 10 96 10 - 2.0-14.8 QB ALA 77 - HD2 LYS 73 far 10 96 10 - 2.4-15.5 HG3 LYS 75 - HD2 LYS 73 far 5 100 5 - 2.4-11.2 QB ALA 78 - HD3 LYS 73 far 5 100 5 - 3.5-16.7 HG2 LYS 75 - HD2 LYS 73 far 5 100 5 - 4.1-12.3 HB3 ARG 69 - HD2 LYS 73 far 5 99 5 - 4.0-9.4 HG3 ARG 69 - HD2 LYS 73 lone 4 97 25 16 3.3-8.6 2818/3.5=6, 4344/4345=5...(4) QB ALA 16 - HD3 LYS 32 far 3 63 5 - 3.8-20.7 QB ALA 77 - HG2 ARG 71 far 0 91 0 - 4.5-15.9 HB3 ARG 69 - HD3 LYS 73 far 0 99 0 - 4.7-9.2 HG3 ARG 69 - HD3 LYS 73 far 0 97 0 - 4.7-8.6 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 4.9-17.7 HG2 LYS 75 - HD3 LYS 73 far 0 100 0 - 5.2-11.9 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 5.3-21.7 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 5.7-18.5 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 6.0-17.9 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.2-9.0 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 6.4-9.9 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.6-16.0 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 7.5-16.0 QB ALA 20 - HD3 LYS 73 far 0 97 0 - 7.7-23.1 HG3 ARG 69 - HD2 LYS 39 far 0 60 0 - 7.8-13.9 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.8-18.4 HG3 ARG 69 - HD3 LYS 39 far 0 57 0 - 8.2-14.0 QB ALA 20 - HG2 ARG 71 far 0 94 0 - 8.2-17.4 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 9.0-19.7 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.0-11.8 QB ALA 20 - HD2 LYS 73 far 0 97 0 - 9.1-22.1 HG3 LYS 39 - HD3 LYS 73 far 0 89 0 - 9.9-14.6 QB ALA 53 - HD3 LYS 39 far 0 62 0 - 9.9-12.9 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 33 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 2.5-3.0 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 2.5-3.0 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 2.2-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 37 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 10.0-29.2 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 33 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 2.5-3.0 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 2.5-3.0 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 2.2-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 98 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 92 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 92 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 93 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 36 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 10.0-29.2 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 4.49 A): 4 out of 12 assignments used, quality = 1.00: H GLY 72 + HG2 ARG 71 OK 96 96 100 100 2.1-5.2 5841/1.8=79, 5.0=73...(14) H LYS 73 + HD2 LYS 73 OK 90 100 90 100 3.2-5.9 788/3.5=78, 787/3.5=77...(20) * H LYS 73 + HD3 LYS 73 OK 35 100 35 100 2.8-5.8 788/3.5=78, 787/3.5=77...(19) H ARG 69 + HG2 ARG 71 OK 31 89 45 78 4.2-6.6 5825/5.0=40, 3.6/5045=30...(8) H LYS 73 - HG2 ARG 71 poor 20 98 20 - 4.4-7.4 H GLY 72 - HD3 LYS 73 far 5 99 5 - 4.9-8.6 H GLY 72 - HD2 LYS 73 far 0 99 0 - 5.6-8.2 H ARG 69 - HD2 LYS 73 far 0 93 0 - 7.1-10.9 H ALA 30 - HD3 LYS 32 far 0 93 0 - 7.1-9.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 7.3-10.3 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.6-9.2 H ARG 69 - HD3 LYS 39 far 0 54 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 3.92 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.1-4.6 2963/2.9=59, 5.2=43...(52) HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.0-4.6 2963/2.9=59, 5.2=43...(52) HA ALA 78 - HD2 LYS 73 far 4 81 5 - 4.8-18.4 HB THR 15 - HD3 LYS 32 far 0 87 0 - 4.9-26.1 HA ALA 78 - HD3 LYS 73 far 0 81 0 - 5.1-18.2 HB THR 15 - HD2 LYS 32 far 0 87 0 - 5.2-27.6 HA LEU 29 - HD3 LYS 32 far 0 71 0 - 5.4-8.9 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 6.2-8.9 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.1-9.9 HA ALA 78 - HG2 ARG 71 far 0 76 0 - 7.6-21.4 HA GLN 79 - HG2 ARG 71 far 0 91 0 - 7.7-23.7 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 8.6-21.7 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 8.6-21.1 HB THR 15 - HD2 LYS 39 far 0 50 0 - 9.8-26.1 HB THR 15 - HD3 LYS 39 far 0 48 0 - 9.9-24.4 Violated in 9 structures by 0.02 A. Peak 3020 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 2 out of 17 assignments used, quality = 0.99: HB2 LYS 73 + HD2 LYS 73 OK 92 100 100 92 2.3-3.8 3.5=56, 787/791=17...(42) * HB2 LYS 73 + HD3 LYS 73 OK 87 100 95 91 2.2-4.0 3.5=56, 3.0/3009=16...(42) HB2 LYS 75 - HD3 LYS 73 far 8 83 10 - 3.0-12.3 HB2 LYS 75 - HD2 LYS 73 far 4 83 5 - 3.1-12.8 HB3 ARG 23 - HG2 ARG 71 far 3 66 5 - 3.5-12.7 HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 5.2-13.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 6.2-9.5 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.3-10.5 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 7.4-15.2 HB2 ARG 17 - HD3 LYS 39 far 0 50 0 - 8.0-22.2 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 8.1-26.3 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 8.4-27.7 HB2 ARG 69 - HD3 LYS 39 far 0 45 0 - 8.6-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 8.9-13.1 HB2 ARG 17 - HD2 LYS 39 far 0 52 0 - 9.6-22.3 Violated in 3 structures by 0.02 A. Peak 3021 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 9 out of 40 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 95 100 100 95 2.1-3.6 3.5=53, 1581/1.8=12...(39) HB3 LYS 32 + HD3 LYS 32 OK 94 100 100 95 2.0-3.5 3.5=53, 1.8/1571=12...(39) * HB3 LYS 73 + HD3 LYS 73 OK 81 100 95 86 2.8-3.7 3.5=50, 3.0/3019=14...(28) HB2 LYS 32 + HD3 LYS 32 OK 71 100 75 95 2.1-4.1 3.5=53, 1.8/1571=15...(39) HB3 LYS 32 + HD2 LYS 32 OK 71 100 75 95 2.0-3.9 3.5=53, 1.8/1581=15...(39) HB3 LYS 73 + HD2 LYS 73 OK 70 100 80 87 2.0-4.2 3.5=50, 788/791=16...(28) HG3 ARG 71 + HG2 ARG 71 OK 64 64 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 58 64 95 96 2.3-3.9 3.5=50, 2.9/1868=17...(35) HB3 LYS 39 + HD3 LYS 39 OK 56 62 95 96 2.2-3.7 3.5=50, 2.9/1868=17...(37) HB3 LYS 75 - HD2 LYS 73 far 5 97 5 - 3.6-12.7 HB3 LYS 75 - HD3 LYS 73 far 5 97 5 - 3.6-11.8 HB2 LYS 13 - HD2 LYS 32 far 5 96 5 - 3.2-25.8 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 4.6-24.4 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.7-9.8 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 5.9-8.6 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 6.2-9.5 HB2 LYS 13 - HD2 LYS 39 far 0 58 0 - 6.3-30.6 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 6.4-15.2 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 7.1-28.8 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 7.2-10.9 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 7.4-9.4 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.5-9.9 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 7.5-11.4 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 7.5-10.1 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 7.5-10.8 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 7.5-10.7 HG3 ARG 26 - HG2 ARG 71 far 0 56 0 - 7.6-17.4 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 7.6-9.3 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 7.6-11.2 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 7.7-11.9 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 7.9-10.8 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 8.0-11.0 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 8.5-12.2 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 8.6-12.5 HB2 ARG 69 - HD3 LYS 39 far 0 37 0 - 8.6-13.2 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.7-11.1 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.8-12.6 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 8.9-13.1 HB2 LEU 57 - HD3 LYS 39 far 0 57 0 - 9.3-14.3 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.8-12.4 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 14 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 - HD2 LYS 32 far 0 78 0 - 5.3-28.0 HG3 LYS 13 - HD3 LYS 32 far 0 78 0 - 6.3-26.7 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.0-11.0 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 8.2-30.3 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 8.7-11.2 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 9.2-13.0 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 9.2-13.7 HB3 LEU 52 - HD3 LYS 39 far 0 62 0 - 9.4-13.4 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 9.4-29.2 HB3 LEU 57 - HD3 LYS 39 far 0 58 0 - 9.6-14.3 QB ALA 63 - HD2 LYS 32 far 0 99 0 - 9.8-14.1 HB3 LEU 52 - HD2 LYS 39 far 0 64 0 - 10.0-13.4 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 36 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 2.3-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 100 100 2.3-3.0 3.0=100 QB ALA 78 - HD2 LYS 73 far 10 100 10 - 3.4-16.9 HG3 LYS 75 - HD3 LYS 73 far 10 100 10 - 3.9-11.8 QB ALA 77 - HD3 LYS 73 far 10 96 10 - 2.0-14.8 QB ALA 77 - HD2 LYS 73 far 10 96 10 - 2.4-15.5 HG3 LYS 75 - HD2 LYS 73 far 5 100 5 - 2.4-11.2 QB ALA 78 - HD3 LYS 73 far 5 100 5 - 3.5-16.7 HG2 LYS 75 - HD2 LYS 73 far 5 100 5 - 4.1-12.3 HB3 ARG 69 - HD2 LYS 73 far 5 99 5 - 4.0-9.4 HG3 ARG 69 - HD2 LYS 73 lone 4 97 25 16 3.3-8.6 2818/3.5=6, 4344/4345=5...(4) QB ALA 16 - HD3 LYS 32 far 3 63 5 - 3.8-20.7 QB ALA 77 - HG2 ARG 71 far 0 91 0 - 4.5-15.9 HB3 ARG 69 - HD3 LYS 73 far 0 99 0 - 4.7-9.2 HG3 ARG 69 - HD3 LYS 73 far 0 97 0 - 4.7-8.6 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 4.9-17.7 HG2 LYS 75 - HD3 LYS 73 far 0 100 0 - 5.2-11.9 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 5.3-21.7 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 5.7-18.5 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 6.0-17.9 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.2-9.0 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 6.4-9.9 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.6-16.0 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 7.5-16.0 QB ALA 20 - HD3 LYS 73 far 0 97 0 - 7.7-23.1 HG3 ARG 69 - HD2 LYS 39 far 0 60 0 - 7.8-13.9 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.8-18.4 HG3 ARG 69 - HD3 LYS 39 far 0 57 0 - 8.2-14.0 QB ALA 20 - HG2 ARG 71 far 0 94 0 - 8.2-17.4 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 9.0-19.7 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.0-11.8 QB ALA 20 - HD2 LYS 73 far 0 97 0 - 9.1-22.1 HG3 LYS 39 - HD3 LYS 73 far 0 89 0 - 9.9-14.6 QB ALA 53 - HD3 LYS 39 far 0 62 0 - 9.9-12.9 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 33 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 2.5-3.0 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 2.5-3.0 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 2.2-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 37 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 10.0-29.2 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 33 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 2.5-3.0 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 2.5-3.0 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 2.2-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.2-3.0 3.0=100 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 2.1-14.1 HE3 LYS 75 - HD2 LYS 73 far 5 99 5 - 3.5-13.7 HE2 LYS 75 - HD3 LYS 73 far 5 98 5 - 2.9-14.6 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 4.6-14.7 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 4.8-18.8 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 4.9-18.1 HE2 LYS 13 - HD2 LYS 32 far 0 92 0 - 5.0-27.6 HE2 LYS 13 - HD3 LYS 32 far 0 92 0 - 5.5-26.4 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 6.3-26.2 HE3 LYS 13 - HD3 LYS 32 far 0 93 0 - 7.0-25.0 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 7.8-12.6 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 8.5-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.6-14.0 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 8.9-30.5 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 9.2-31.0 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.7-13.5 HE3 LYS 73 - HD2 LYS 39 far 0 65 0 - 9.7-15.5 HB3 TYR 81 - HD2 LYS 39 far 0 36 0 - 9.8-35.5 HE3 LYS 73 - HD3 LYS 39 far 0 63 0 - 9.9-16.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 9.9-22.8 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 10.0-29.2 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 = 0.98: HB2 LYS 73 + HE3 LYS 73 OK 78 100 80 97 2.3-5.4 4.7=42, 3020/3.0=33...(43) * HB2 LYS 73 + HE2 LYS 73 OK 73 100 75 97 2.0-4.7 4.7=42, 3020/3.0=33...(43) HB2 LYS 75 + HE3 LYS 75 OK 47 80 60 97 2.4-5.3 5.0=36, 3128/2.9=20...(39) HB2 LYS 75 + HE2 LYS 75 OK 39 79 50 97 3.1-5.3 5.0=36, 3128/2.9=20...(39) HB2 LYS 75 - HE3 LYS 73 far 4 83 5 - 3.0-13.9 HB2 LYS 75 - HE2 LYS 73 far 0 83 0 - 4.5-14.3 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.8-12.5 HB2 ARG 17 - HE3 LYS 32 far 0 89 0 - 5.6-26.4 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 5.8-10.7 HB2 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.8-13.8 HB2 ARG 69 - HE2 LYS 73 far 0 83 0 - 6.5-9.3 HB2 ARG 17 - HE2 LYS 32 far 0 89 0 - 6.8-27.5 HB2 ARG 17 - HE2 LYS 39 far 0 59 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 70 0 - 8.6-25.1 HB2 ARG 69 - HE2 LYS 39 far 0 54 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 50 0 - 9.2-14.3 HB2 ARG 69 - HE2 LYS 75 far 0 79 0 - 10.0-18.7 Violated in 1 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 11 out of 51 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 73 100 75 98 2.2-4.5 4.6=42, 2.9/1628=25...(43) HB3 LYS 32 + HE3 LYS 32 OK 68 100 70 98 2.1-4.9 4.6=42, 2.9/1628=25...(43) HB3 LYS 39 + HE3 LYS 39 OK 52 67 80 98 3.0-5.0 4.7=39, ~1906=15...(38) HB2 LYS 13 + HE2 LYS 13 OK 50 82 65 93 2.4-4.8 5.2=28, 3.0/1074=14...(29) HB2 LYS 32 + HE2 LYS 32 OK 49 100 50 98 2.8-5.3 4.6=42, 2.9/1628=25...(43) HB3 LYS 73 + HE3 LYS 73 OK 46 100 50 92 2.0-4.8 4.7=39, ~3020=17...(30) HB2 LYS 32 + HE3 LYS 32 OK 44 100 45 98 2.7-5.1 4.6=42, 2.9/1628=25...(43) * HB3 LYS 73 + HE2 LYS 73 OK 37 100 40 92 2.9-5.4 4.7=39, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 37 95 40 96 2.5-5.2 5.0=33, ~3128=16...(36) HB2 LYS 13 + HE3 LYS 13 OK 35 84 45 93 2.0-5.1 5.2=28, 3.0/1074=14...(37) HB3 LYS 75 + HE2 LYS 75 OK 27 95 30 96 2.0-5.2 5.0=33, ~3128=16...(36) HB3 LYS 39 - HE2 LYS 39 poor 14 72 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 97 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 96 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 84 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 82 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 96 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 97 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 73 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 66 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 65 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 89 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 66 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 69 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 68 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 64 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 57 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 53 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 61 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 89 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 66 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 45 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 41 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 62 0 - 9.5-15.8 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 97 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 68 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 99 2.1-4.2 3.7=88, 2.9/3040=17...(48) HG2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.0-3.7 3.7=88, 2.9/3040=18...(48) HG3 LYS 13 + HE3 LYS 13 OK 65 66 100 99 2.2-4.1 3.8=81, 1054/2.9=20...(51) HG3 LYS 13 + HE2 LYS 13 OK 64 65 100 99 2.3-4.2 3.8=81, 1054/2.9=20...(51) HG2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.8-13.1 HG2 LYS 73 - HE2 LYS 75 far 5 99 5 - 4.1-14.2 HG3 LYS 13 - HE2 LYS 32 far 4 78 5 - 4.0-27.2 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 5.0-26.9 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 8.8-14.7 HB3 LEU 52 - HE3 LYS 39 far 0 67 0 - 9.2-14.2 HB3 LEU 57 - HE2 LYS 39 far 0 68 0 - 9.4-16.3 HB3 LEU 52 - HE2 LYS 39 far 0 72 0 - 9.6-14.2 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 9.7-14.8 HG3 LYS 13 - HE3 LYS 39 far 0 46 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.25 A): 8 out of 53 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.1-3.9 3.5=80, 3.9/3147=11...(62) HG2 LYS 75 + HE2 LYS 75 OK 97 99 100 98 2.1-4.0 3.5=80, ~3128=9, ~3118=9...(62) * HG3 LYS 73 + HE2 LYS 73 OK 95 100 100 95 2.6-4.0 3.7=68, 2.9/3040=15...(49) HG3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.4-4.1 3.7=68, 2.9/3040=16...(49) HG2 LYS 75 + HE3 LYS 75 OK 93 99 95 98 2.2-4.2 3.5=80, 3.9/3147=11...(62) HG3 LYS 75 + HE2 LYS 75 OK 92 99 95 98 2.1-4.2 3.5=80, ~3128=9, ~3118=9...(62) HG3 LYS 39 + HE2 LYS 39 OK 58 59 100 99 2.0-3.7 3.6=75, 1879/3.0=26...(57) HG3 LYS 39 + HE3 LYS 39 OK 54 54 100 99 2.0-4.0 3.6=75, 1879/3.0=26...(48) QB ALA 78 - HE3 LYS 73 far 10 100 10 - 3.3-18.6 HG3 LYS 73 - HE2 LYS 75 far 10 99 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 10 97 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 10 96 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.2-12.2 HG3 ARG 69 - HE2 LYS 73 far 5 97 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 96 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 5 95 5 - 4.1-26.7 QB ALA 16 - HE2 LYS 32 far 3 63 5 - 3.5-21.2 QB ALA 16 - HE3 LYS 32 far 3 63 5 - 4.1-20.5 QB ALA 20 - HE3 LYS 75 far 0 95 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 100 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 100 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 99 0 - 5.2-8.5 QB ALA 16 - HE2 LYS 13 far 0 51 0 - 5.3-13.1 HG3 LYS 75 - HE2 LYS 73 far 0 100 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 100 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 99 0 - 6.0-13.3 QB ALA 16 - HE3 LYS 13 far 0 52 0 - 6.1-13.1 HG2 LYS 75 - HE2 LYS 73 far 0 100 0 - 6.8-13.6 QB ALA 16 - HE2 LYS 39 far 0 39 0 - 6.9-17.8 QB ALA 20 - HE2 LYS 73 far 0 97 0 - 7.2-22.5 QB ALA 16 - HE3 LYS 39 far 0 36 0 - 7.4-19.2 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 62 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 67 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 97 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 68 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 91 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 97 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 97 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 90 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 86 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 85 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 66 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 71 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 67 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 63 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 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 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) * HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 76 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 97 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 10.0-29.2 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 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) * HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 99 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 76 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 97 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 10.0-29.2 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 = 0.98: * HB2 LYS 73 + HE3 LYS 73 OK 78 100 80 97 2.3-5.4 4.7=42, 3020/3.0=33...(43) HB2 LYS 73 + HE2 LYS 73 OK 73 100 75 97 2.0-4.7 4.7=42, 3020/3.0=33...(43) HB2 LYS 75 + HE3 LYS 75 OK 46 79 60 97 2.4-5.3 5.0=36, 3128/2.9=20...(39) HB2 LYS 75 + HE2 LYS 75 OK 38 78 50 97 3.1-5.3 5.0=36, 3128/2.9=20...(39) HB2 LYS 75 - HE3 LYS 73 far 4 83 5 - 3.0-13.9 HB2 LYS 75 - HE2 LYS 73 far 0 83 0 - 4.5-14.3 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.8-12.5 HB2 ARG 17 - HE3 LYS 32 far 0 88 0 - 5.6-26.4 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 5.8-10.7 HB2 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.8-13.8 HB2 ARG 69 - HE2 LYS 73 far 0 83 0 - 6.5-9.3 HB2 ARG 17 - HE2 LYS 32 far 0 89 0 - 6.8-27.5 HB2 ARG 17 - HE2 LYS 39 far 0 57 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 69 0 - 8.6-25.1 HB2 ARG 69 - HE2 LYS 39 far 0 52 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 47 0 - 9.2-14.3 HB2 ARG 69 - HE2 LYS 75 far 0 78 0 - 10.0-18.7 Violated in 1 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 11 out of 51 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 73 100 75 98 2.2-4.5 4.6=42, 2.9/1628=25...(43) HB3 LYS 32 + HE3 LYS 32 OK 68 100 70 98 2.1-4.9 4.6=42, 2.9/1628=25...(43) HB3 LYS 39 + HE3 LYS 39 OK 50 64 80 97 3.0-5.0 4.7=39, ~1906=15...(38) HB2 LYS 32 + HE2 LYS 32 OK 49 100 50 98 2.8-5.3 4.6=42, 2.9/1628=25...(43) HB2 LYS 13 + HE2 LYS 13 OK 49 81 65 93 2.4-4.8 5.2=28, 1006/2.9=13...(29) * HB3 LYS 73 + HE3 LYS 73 OK 46 100 50 92 2.0-4.8 4.7=39, ~3020=17...(30) HB2 LYS 32 + HE3 LYS 32 OK 44 100 45 98 2.7-5.1 4.6=42, 2.9/1628=25...(43) HB3 LYS 73 + HE2 LYS 73 OK 37 100 40 92 2.9-5.4 4.7=39, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 36 95 40 96 2.5-5.2 5.0=33, ~3128=16...(36) HB2 LYS 13 + HE3 LYS 13 OK 35 82 45 93 2.0-5.1 5.2=28, 3.0/1074=14...(37) HB3 LYS 75 + HE2 LYS 75 OK 27 94 30 96 2.0-5.2 5.0=33, ~3128=16...(36) HB3 LYS 39 - HE2 LYS 39 poor 14 70 20 - 2.0-5.3 HB3 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.7-11.6 HB3 LYS 75 - HE3 LYS 73 far 5 97 5 - 4.2-12.7 HB2 LYS 13 - HE2 LYS 32 far 5 96 5 - 4.2-25.8 HB3 ARG 82 - HE3 LYS 13 far 0 82 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 81 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 95 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 97 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.3-12.0 HG3 ARG 71 - HE3 LYS 75 far 0 65 0 - 6.5-17.8 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 6.5-9.3 HG3 ARG 71 - HE2 LYS 75 far 0 64 0 - 6.5-17.6 HB2 ARG 54 - HE3 LYS 39 far 0 58 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 67 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 65 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 61 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 55 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 50 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 89 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 43 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 39 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 65 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 60 0 - 9.5-15.8 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 9.8-13.4 HB2 LEU 57 - HE3 LYS 32 far 0 96 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 67 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 99 2.1-4.2 3.7=88, 2.9/3040=17...(48) * HG2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.0-3.7 3.7=88, 2.9/3040=18...(48) HG3 LYS 13 + HE3 LYS 13 OK 64 65 100 99 2.2-4.1 3.8=81, 1054/2.9=20...(51) HG3 LYS 13 + HE2 LYS 13 OK 62 63 100 99 2.3-4.2 3.8=81, 1054/2.9=20...(51) HG2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.8-13.1 HG2 LYS 73 - HE2 LYS 75 far 5 98 5 - 4.1-14.2 HG3 LYS 13 - HE2 LYS 32 far 4 78 5 - 4.0-27.2 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 5.0-26.9 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 8.8-14.7 HB3 LEU 52 - HE3 LYS 39 far 0 64 0 - 9.2-14.2 HB3 LEU 57 - HE2 LYS 39 far 0 66 0 - 9.4-16.3 HB3 LEU 52 - HE2 LYS 39 far 0 70 0 - 9.6-14.2 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 9.7-14.8 HG3 LYS 13 - HE3 LYS 39 far 0 44 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.25 A): 8 out of 53 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.1-3.9 3.5=80, 3.9/3147=11...(62) HG2 LYS 75 + HE2 LYS 75 OK 96 98 100 98 2.1-4.0 3.5=80, ~3128=9, ~3118=9...(62) HG3 LYS 73 + HE2 LYS 73 OK 95 100 100 95 2.6-4.0 3.7=68, 2.9/3040=15...(49) * HG3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.4-4.1 3.7=68, 2.9/3040=16...(49) HG2 LYS 75 + HE3 LYS 75 OK 92 99 95 98 2.2-4.2 3.5=80, 3.9/3147=11...(62) HG3 LYS 75 + HE2 LYS 75 OK 92 98 95 98 2.1-4.2 3.5=80, ~3128=9, ~3118=9...(62) HG3 LYS 39 + HE2 LYS 39 OK 56 57 100 99 2.0-3.7 3.6=75, 1879/3.0=26...(56) HG3 LYS 39 + HE3 LYS 39 OK 51 52 100 99 2.0-4.0 3.6=75, 1879/3.0=26...(48) QB ALA 78 - HE3 LYS 73 far 10 100 10 - 3.3-18.6 HG3 LYS 73 - HE2 LYS 75 far 10 98 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 10 97 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 10 96 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.2-12.2 HG3 ARG 69 - HE2 LYS 73 far 5 97 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 96 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 5 94 5 - 4.1-26.7 QB ALA 16 - HE2 LYS 32 far 3 63 5 - 3.5-21.2 QB ALA 16 - HE3 LYS 32 far 3 63 5 - 4.1-20.5 QB ALA 20 - HE3 LYS 75 far 0 95 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 100 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 100 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 99 0 - 5.2-8.5 QB ALA 16 - HE2 LYS 13 far 0 49 0 - 5.3-13.1 HG3 LYS 75 - HE2 LYS 73 far 0 100 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 92 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 100 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 98 0 - 6.0-13.3 QB ALA 16 - HE3 LYS 13 far 0 51 0 - 6.1-13.1 HG2 LYS 75 - HE2 LYS 73 far 0 100 0 - 6.8-13.6 QB ALA 16 - HE2 LYS 39 far 0 37 0 - 6.9-17.8 QB ALA 20 - HE2 LYS 73 far 0 97 0 - 7.2-22.5 QB ALA 16 - HE3 LYS 39 far 0 34 0 - 7.4-19.2 HG3 ARG 69 - HE2 LYS 75 far 0 93 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 60 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 65 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 97 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 66 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 90 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 96 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 97 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 88 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 85 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 83 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 68 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 64 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 61 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) * HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 34 39 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 33 37 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD2 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 30 34 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 98 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 68 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 75 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 97 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 61 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 10.0-29.2 Violated in 0 structures by 0.00 A. Peak 3045 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 48 assignments used, quality = 1.00: HD3 LYS 32 + HE3 LYS 32 OK 93 100 100 93 2.5-3.0 3.0=71, 3.0/1629=15...(40) HD3 LYS 32 + HE2 LYS 32 OK 93 100 100 93 2.2-3.0 3.0=71, 3.0/1629=15...(40) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) * HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.5-3.0 3.0=71, 2.9/3042=9...(18) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(18) HD2 LYS 39 + HE2 LYS 39 OK 34 39 100 88 2.6-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 33 37 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD2 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.4-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 30 34 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(22) HD3 LYS 73 - HE3 LYS 75 far 5 99 5 - 2.1-14.1 HD2 LYS 73 - HE3 LYS 75 far 5 99 5 - 3.5-13.7 HD3 LYS 73 - HE2 LYS 75 far 5 98 5 - 2.9-14.6 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 3.7-17.8 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 4.6-14.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.7-8.5 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 4.7-27.2 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 4.8-17.6 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 4.8-18.8 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 4.9-18.1 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.0-27.6 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 5.2-12.8 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.5-11.9 HD3 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-26.4 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 5.6-9.2 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 5.9-28.3 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.3-28.4 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.3-26.2 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-27.2 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 7.0-25.0 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 8.2-23.2 HG2 ARG 17 - HE2 LYS 39 far 0 68 0 - 8.3-24.2 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 8.9-30.5 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 9.0-18.1 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 9.2-31.0 HG2 ARG 84 - HE3 LYS 13 far 0 75 0 - 9.5-60.9 HB3 LEU 51 - HE3 LYS 73 far 0 97 0 - 9.6-15.0 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 9.6-19.4 HG3 ARG 27 - HE2 LYS 32 far 0 78 0 - 9.6-16.0 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 9.7-13.5 HD2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-15.5 HG3 ARG 17 - HE3 LYS 39 far 0 61 0 - 9.8-24.4 HD3 LYS 39 - HE3 LYS 73 far 0 63 0 - 9.9-16.0 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.9-17.8 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 10.0-29.2 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 3 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 HB3 ASP 67 - HA ASN 74 far 0 65 0 - 9.6-13.6 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 6 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 2.3-3.0 3.0=100 HB2 ASN 74 + HA ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 HB2 ASN 42 - HA ASN 80 far 0 71 0 - 9.6-32.3 HB3 ASN 80 - HA ASN 74 far 0 71 0 - 9.6-21.1 HB3 ASN 42 - HA ASN 80 far 0 76 0 - 9.8-31.9 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 2.1-4.0 4.0=100 H ASN 74 + HB3 ASN 74 OK 57 57 100 100 3.0-4.1 4.0=100 H ALA 78 - HB2 ASN 74 far 10 100 10 - 5.2-13.8 H ALA 78 - HB3 ASN 74 far 6 57 10 - 4.6-13.5 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 2.1-4.1 3.5=100 HD21 ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.2-4.0 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 2.1-4.1 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HD22 ASN 80 - HB3 ASN 74 far 0 54 0 - 6.5-20.9 HD22 ASN 80 - HB2 ASN 74 far 0 99 0 - 8.1-20.8 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 5 assignments used, quality = 1.00: * H ASN 74 + HB3 ASN 74 OK 100 100 100 100 3.0-4.1 4.0=100 H ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.1-4.0 4.0=100 H ALA 78 - HB3 ASN 74 far 10 100 10 - 4.6-13.5 H ALA 78 - HB2 ASN 74 far 6 57 10 - 5.2-13.8 H ALA 78 - HB3 ASN 80 far 0 68 0 - 5.6-11.2 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 5 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 2.3-3.0 3.0=100 HA ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 HA PRO 36 - HB3 ASN 80 far 0 65 0 - 9.3-39.3 HA ASN 74 - HB3 ASN 80 far 0 69 0 - 9.6-21.1 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 2.2-4.0 3.5=100 HD21 ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HD21 ASN 74 - HB3 ASN 80 far 0 69 0 - 8.7-23.0 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 2.1-4.1 3.5=100 HD22 ASN 80 + HB3 ASN 80 OK 65 65 100 100 2.3-4.1 3.5=100 HD22 ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.1-4.1 3.5=100 HD22 ASN 80 - HB3 ASN 74 far 0 99 0 - 6.5-20.9 HD22 ASN 80 - HB2 ASN 74 far 0 54 0 - 8.1-20.8 HD22 ASN 74 - HB3 ASN 80 far 0 69 0 - 8.5-21.6 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 2.3-2.9 3.0=100 H ARG 71 - HA LYS 75 far 0 92 0 - 6.1-11.7 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 6 assignments used, quality = 1.00: * HB2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 71 - HA LYS 75 far 0 97 0 - 4.6-13.4 HB2 LYS 73 - HA LYS 75 far 0 83 0 - 5.1-8.7 HB2 ARG 71 - HA LYS 75 far 0 97 0 - 6.0-12.8 HB2 ARG 23 - HA LYS 75 far 0 100 0 - 7.9-23.9 HB3 ARG 23 - HA LYS 75 far 0 100 0 - 9.4-24.0 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 2.3-3.0 3.0=100 HB3 LYS 73 - HA LYS 75 far 5 97 5 - 3.8-8.1 HB2 ARG 69 - HA LYS 75 far 0 92 0 - 8.6-13.9 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 8 assignments used, quality = 1.00: * HG2 LYS 75 + HA LYS 75 OK 98 100 100 98 2.1-4.2 3.9=65, 4.9/339=28...(49) HG3 LYS 75 + HA LYS 75 OK 98 100 100 98 2.1-4.2 3.9=65, 4.9/339=28...(49) QB ALA 77 - HA LYS 75 far 9 93 10 - 3.6-7.0 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 4.6-9.1 QB ALA 20 - HA LYS 75 far 0 96 0 - 5.0-24.0 QB ALA 78 - HA LYS 75 far 0 100 0 - 6.4-10.3 HB3 ARG 69 - HA LYS 75 far 0 100 0 - 6.8-13.6 HG3 ARG 69 - HA LYS 75 far 0 95 0 - 7.4-13.4 Violated in 2 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (1.39, 4.24, 56.87 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 75 + HA LYS 75 OK 98 100 100 98 2.1-4.2 3.9=65, 4.9/339=28...(49) * HG3 LYS 75 + HA LYS 75 OK 98 100 100 98 2.1-4.2 3.9=65, 4.9/339=28...(49) QB ALA 77 - HA LYS 75 far 9 93 10 - 3.6-7.0 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 4.6-9.1 QB ALA 20 - HA LYS 75 far 0 96 0 - 5.0-24.0 QB ALA 78 - HA LYS 75 far 0 100 0 - 6.4-10.3 HB3 ARG 69 - HA LYS 75 far 0 100 0 - 6.8-13.6 HG3 ARG 69 - HA LYS 75 far 0 95 0 - 7.4-13.4 Violated in 2 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.1-4.5 4.7=59, 3128/3.0=36...(50) HD3 LYS 75 + HA LYS 75 OK 85 100 85 100 2.1-5.1 4.7=59, 1.8/3117=44...(50) HG2 ARG 23 - HA LYS 75 far 0 99 0 - 9.5-24.1 Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.1-4.5 4.7=59, 3128/3.0=36...(50) * HD3 LYS 75 + HA LYS 75 OK 85 100 85 100 2.1-5.1 4.7=59, 1.8/3117=44...(50) HG2 ARG 23 - HA LYS 75 far 0 99 0 - 9.5-24.1 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 4 assignments used, quality = 1.00: HE2 LYS 75 + HA LYS 75 OK 100 100 100 100 3.7-6.0 6.4=66, 2.9/3117=53...(49) * HE3 LYS 75 + HA LYS 75 OK 100 100 100 100 4.5-5.7 6.4=66, 2.9/3117=53...(49) HE3 LYS 73 - HA LYS 75 poor 20 99 20 - 4.3-11.9 HE2 LYS 73 - HA LYS 75 far 10 99 10 - 5.9-12.4 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (8.09, 1.84, 32.59 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.9 4.0=100 H LYS 75 + HB2 LYS 73 OK 27 77 45 77 3.4-7.8 4.6/324=33...(8) H ARG 71 - HB2 LYS 73 far 0 65 0 - 5.4-7.3 H ARG 71 - HB2 LYS 75 far 0 92 0 - 8.2-12.2 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 13 assignments used, quality = 1.00: * HA LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB2 LYS 39 OK 85 85 100 100 2.6-3.0 3.0=100 HA LYS 75 - HB2 LYS 73 far 0 77 0 - 5.1-8.7 HA ALA 77 - HB2 LYS 75 far 0 97 0 - 5.2-8.2 HA ALA 20 - HB2 LYS 75 far 0 89 0 - 5.9-27.8 HA ALA 77 - HB2 LYS 73 far 0 70 0 - 6.4-15.1 HB THR 37 - HB2 LYS 39 far 0 64 0 - 6.6-7.8 HA ALA 20 - HB2 LYS 39 far 0 72 0 - 6.8-19.9 HA THR 15 - HB2 LYS 39 far 0 87 0 - 6.9-23.7 HA GLU 19 - HB2 LYS 39 far 0 78 0 - 8.2-21.2 HB THR 37 - HB2 LYS 73 far 0 55 0 - 9.3-12.8 HA GLU 19 - HB2 LYS 75 far 0 95 0 - 9.5-31.5 HA LYS 39 - HB2 LYS 73 far 0 75 0 - 9.8-12.3 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 13 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 HB3 LYS 73 - HB2 LYS 75 far 0 97 0 - 3.7-9.9 HB3 LYS 75 - HB2 LYS 73 far 0 77 0 - 3.7-9.6 HB2 ARG 69 - HB2 LYS 73 far 0 65 0 - 5.4-7.3 HB ILE 33 - HB2 LYS 39 far 0 68 0 - 7.5-9.6 HB2 LYS 13 - HB2 LYS 39 far 0 87 0 - 7.6-29.4 HB2 PRO 34 - HB2 LYS 39 far 0 84 0 - 8.3-11.8 HB2 ARG 69 - HB2 LYS 75 far 0 92 0 - 8.4-15.1 HB2 ARG 54 - HB2 LYS 39 far 0 62 0 - 9.2-12.1 HG2 PRO 34 - HB2 LYS 39 far 0 48 0 - 9.5-12.1 HB2 ARG 69 - HB2 LYS 39 far 0 75 0 - 9.6-12.5 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 20 assignments used, quality = 1.00: HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HG2 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 2.4-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 QB ALA 77 - HB2 LYS 75 far 9 93 10 - 3.3-7.8 HG3 ARG 69 - HB2 LYS 73 poor 7 68 35 29 3.0-5.7 2816/4.0=8, 5983/15061=6...(8) QB ALA 20 - HB2 LYS 75 far 5 96 5 - 3.4-23.9 HB3 ARG 69 - HB2 LYS 73 far 4 75 5 - 3.9-7.5 QB ALA 77 - HB2 LYS 73 far 3 67 5 - 3.7-13.0 HG3 LYS 73 - HB2 LYS 75 lone 2 100 25 8 3.8-10.7 5892/803=5, 327/3964=2 QB ALA 78 - HB2 LYS 73 far 0 77 0 - 4.7-15.3 HG3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.5-10.3 HG2 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.6-10.6 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 6.2-14.2 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 6.4-10.3 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 6.8-17.7 QB ALA 20 - HB2 LYS 73 far 0 69 0 - 7.0-20.0 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 7.2-15.0 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 9.0-12.3 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 9.2-13.1 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 20 assignments used, quality = 1.00: * HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG2 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 2.4-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 QB ALA 77 - HB2 LYS 75 far 9 93 10 - 3.3-7.8 HG3 ARG 69 - HB2 LYS 73 poor 7 68 35 29 3.0-5.7 2816/4.0=8, 5983/15061=6...(8) QB ALA 20 - HB2 LYS 75 far 5 96 5 - 3.4-23.9 HB3 ARG 69 - HB2 LYS 73 far 4 75 5 - 3.9-7.5 QB ALA 77 - HB2 LYS 73 far 3 67 5 - 3.7-13.0 HG3 LYS 73 - HB2 LYS 75 lone 2 100 25 8 3.8-10.7 5892/803=5, 327/3964=2 QB ALA 78 - HB2 LYS 73 far 0 77 0 - 4.7-15.3 HG3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.5-10.3 HG2 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.6-10.6 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 6.2-14.2 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 6.4-10.3 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 6.8-17.7 QB ALA 20 - HB2 LYS 73 far 0 69 0 - 7.0-20.0 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 7.2-15.0 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 9.0-12.3 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 9.2-13.1 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 7 assignments used, quality = 1.00: * HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-3.9 3.5=100 HD3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.3-12.4 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.6-12.4 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 8.9-29.0 HD3 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.1-29.1 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.7-28.7 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 7 assignments used, quality = 1.00: HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-3.9 3.5=100 * HD3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.3-12.4 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.6-12.4 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 8.9-29.0 HD3 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.1-29.1 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.7-28.7 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 12 assignments used, quality = 1.00: * HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 3.1-5.3 5.0=84, 2.9/3118=45...(45) HE3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.4-5.3 5.0=84, 2.9/3118=45...(45) HE2 LYS 39 + HB2 LYS 39 OK 73 73 100 100 2.9-5.1 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.0-4.7 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.3-5.4 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 70 70 100 100 4.1-4.7 4.7=100 HE2 LYS 73 - HB2 LYS 75 far 5 99 5 - 4.5-14.3 HE3 LYS 73 - HB2 LYS 75 far 5 98 5 - 3.0-13.9 HE3 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.8-12.5 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.8-13.8 HB3 TYR 81 - HB2 LYS 39 far 0 70 0 - 6.8-35.0 HB3 TYR 55 - HB2 LYS 39 far 0 62 0 - 9.7-12.4 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 12 assignments used, quality = 1.00: * HE3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.4-5.3 5.0=84, 2.9/3118=45...(45) HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 3.1-5.3 5.0=84, 2.9/3118=45...(45) HE2 LYS 73 + HB2 LYS 73 OK 74 74 100 100 2.0-4.7 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.3-5.4 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 72 72 100 100 2.9-5.1 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 68 68 100 100 4.1-4.7 4.7=100 HE2 LYS 73 - HB2 LYS 75 far 5 99 5 - 4.5-14.3 HE3 LYS 73 - HB2 LYS 75 far 5 99 5 - 3.0-13.9 HE3 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.8-12.5 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.8-13.8 HB3 TYR 81 - HB2 LYS 39 far 0 68 0 - 6.8-35.0 HB3 TYR 55 - HB2 LYS 39 far 0 64 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (8.09, 1.79, 32.59 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.1-3.9 4.0=100 H LYS 85 + HB2 LYS 85 OK 82 82 100 100 2.3-4.0 4.0=100 H LYS 75 + HB3 LYS 73 OK 48 93 65 81 2.2-6.9 3.6/6053=30, 4.6/325=28...(11) H LYS 85 - HB2 LYS 83 far 9 92 10 - 4.4-8.1 H ARG 71 - HB3 LYS 73 far 0 81 0 - 6.0-6.9 H ARG 71 - HB3 LYS 75 far 0 92 0 - 7.5-12.6 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 19 assignments used, quality = 1.00: * HA LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 83 + HB2 LYS 83 OK 99 99 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.3-2.8 3.0=100 HA LYS 85 + HB2 LYS 85 OK 80 80 100 100 2.4-3.0 3.0=100 HA LYS 75 - HB3 LYS 73 far 5 93 5 - 3.8-8.1 HA ALA 12 - HB2 LYS 13 far 0 81 0 - 4.6-6.0 HA ALA 77 - HB3 LYS 73 far 0 86 0 - 4.8-14.1 HA LYS 85 - HB2 LYS 83 far 0 90 0 - 4.8-8.7 HA THR 15 - HB2 LYS 13 far 0 91 0 - 5.3-7.0 HA ALA 20 - HB3 LYS 75 far 0 89 0 - 5.5-26.9 HA ALA 77 - HB3 LYS 75 far 0 97 0 - 5.8-8.7 HA LYS 83 - HB2 LYS 85 far 0 92 0 - 5.8-10.0 HA THR 15 - HB3 LYS 39 far 0 93 0 - 7.2-25.3 HB THR 37 - HB3 LYS 39 far 0 70 0 - 7.6-9.2 HA ALA 20 - HB3 LYS 39 far 0 78 0 - 8.4-21.6 HA LYS 39 - HB2 LYS 13 far 0 89 0 - 8.6-31.6 HA GLU 19 - HB3 LYS 75 far 0 95 0 - 9.1-30.2 HA ALA 12 - HB3 LYS 39 far 0 83 0 - 9.2-34.5 HA GLU 19 - HB3 LYS 39 far 0 85 0 - 9.9-22.9 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 HB2 LYS 75 - HB3 LYS 73 far 0 93 0 - 3.7-9.9 HB2 LYS 73 - HB3 LYS 75 far 0 83 0 - 3.7-9.6 HB3 ARG 71 - HB3 LYS 75 far 0 97 0 - 4.9-14.3 HB2 ARG 71 - HB3 LYS 75 far 0 97 0 - 6.6-14.1 HB2 ARG 71 - HB3 LYS 73 far 0 87 0 - 7.5-9.2 HB2 LYS 39 - HB2 LYS 13 far 0 84 0 - 7.6-29.4 HB3 ARG 71 - HB3 LYS 73 far 0 86 0 - 8.2-8.9 HB2 ARG 23 - HB3 LYS 75 far 0 100 0 - 8.5-25.3 HB2 ARG 17 - HB2 LYS 13 far 0 91 0 - 9.4-15.0 HB3 ARG 23 - HB3 LYS 75 far 0 100 0 - 10.0-25.5 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 32 assignments used, quality = 1.00: HG3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HG2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 100 100 2.2-2.7 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 HG3 LYS 73 - HB3 LYS 75 far 10 100 10 - 2.7-10.8 QB ALA 20 - HB3 LYS 75 far 5 96 5 - 2.9-23.8 HG2 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.9-9.7 HG3 ARG 69 - HB3 LYS 73 far 4 84 5 - 3.2-7.4 QB ALA 77 - HB3 LYS 73 far 4 82 5 - 2.4-12.2 HG2 LYS 83 - HB2 LYS 85 far 3 69 5 - 3.8-11.4 HG3 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.2-9.3 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 4.3-14.6 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 4.3-8.1 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 5.0-13.3 HB3 ARG 69 - HB3 LYS 73 far 0 91 0 - 5.0-9.2 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 5.1-11.3 QB ALA 78 - HB2 LYS 13 far 0 91 0 - 6.0-44.9 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 6.4-14.1 QB ALA 78 - HB2 LYS 83 far 0 99 0 - 6.9-15.3 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 7.0-19.0 QB ALA 20 - HB3 LYS 73 far 0 85 0 - 7.6-21.0 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 7.8-10.8 QB ALA 77 - HB2 LYS 85 far 0 82 0 - 8.1-23.4 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 8.2-12.1 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 8.3-19.2 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 8.6-30.7 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 8.8-12.9 QB ALA 77 - HB2 LYS 13 far 0 81 0 - 9.5-42.4 QB ALA 53 - HB2 LYS 85 far 0 91 0 - 9.8-39.0 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 10.0-20.6 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 32 assignments used, quality = 1.00: * HG3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 100 100 2.2-2.7 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 HG3 LYS 73 - HB3 LYS 75 far 10 100 10 - 2.7-10.8 QB ALA 20 - HB3 LYS 75 far 5 96 5 - 2.9-23.8 HG2 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.9-9.7 HG3 ARG 69 - HB3 LYS 73 far 4 84 5 - 3.2-7.4 QB ALA 77 - HB3 LYS 73 far 4 82 5 - 2.4-12.2 HG2 LYS 83 - HB2 LYS 85 far 3 69 5 - 3.8-11.4 HG3 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.2-9.3 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 4.3-14.6 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 4.3-8.1 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 5.0-13.3 HB3 ARG 69 - HB3 LYS 73 far 0 91 0 - 5.0-9.2 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 5.1-11.3 QB ALA 78 - HB2 LYS 13 far 0 91 0 - 6.0-44.9 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 6.4-14.1 QB ALA 78 - HB2 LYS 83 far 0 99 0 - 6.9-15.3 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 7.0-19.0 QB ALA 20 - HB3 LYS 73 far 0 85 0 - 7.6-21.0 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 7.8-10.8 QB ALA 77 - HB2 LYS 85 far 0 82 0 - 8.1-23.4 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 8.2-12.1 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 8.3-19.2 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 8.6-30.7 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 8.8-12.9 QB ALA 77 - HB2 LYS 13 far 0 81 0 - 9.5-42.4 QB ALA 53 - HB2 LYS 85 far 0 91 0 - 9.8-39.0 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 10.0-20.6 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 12 assignments used, quality = 0.98: HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 * HD2 LYS 75 + HB3 LYS 75 OK 61 100 70 88 2.1-4.2 3.5=38, 3128/1.8=21...(36) HD3 LYS 13 + HB2 LYS 13 OK 52 91 65 88 2.2-4.2 3.5=38, 1054/3.0=18...(32) HD2 LYS 13 + HB2 LYS 13 OK 48 91 60 88 2.2-4.2 3.5=38, 1044/3.0=18...(31) HD3 LYS 75 + HB3 LYS 75 OK 31 100 35 88 2.3-4.2 3.5=38, 3118/1.8=20...(35) HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.4-11.4 HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 5.0-11.6 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 8.0-30.7 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.3-30.1 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 9.0-29.8 HG LEU 29 - HB2 LYS 13 far 0 86 0 - 9.1-24.1 HG2 ARG 23 - HB3 LYS 75 far 0 99 0 - 9.5-23.4 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 12 assignments used, quality = 0.98: HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 HD2 LYS 75 + HB3 LYS 75 OK 61 100 70 88 2.1-4.2 3.5=38, 3128/1.8=21...(36) HD3 LYS 13 + HB2 LYS 13 OK 52 91 65 88 2.2-4.2 3.5=38, 1054/3.0=18...(32) HD2 LYS 13 + HB2 LYS 13 OK 48 91 60 88 2.2-4.2 3.5=38, 1044/3.0=18...(31) * HD3 LYS 75 + HB3 LYS 75 OK 31 100 35 88 2.3-4.2 3.5=38, 3118/1.8=20...(35) HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.4-11.4 HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 5.0-11.6 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 8.0-30.7 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.3-30.1 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 9.0-29.8 HG LEU 29 - HB2 LYS 13 far 0 86 0 - 9.1-24.1 HG2 ARG 23 - HB3 LYS 75 far 0 99 0 - 9.5-23.4 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.30 A): 8 out of 21 assignments used, quality = 1.00: * HE2 LYS 75 + HB3 LYS 75 OK 95 100 95 100 2.0-5.2 5.0=65, ~3128=27...(36) HE3 LYS 75 + HB3 LYS 75 OK 95 100 95 100 2.5-5.2 5.0=65, ~3128=27...(36) HE3 LYS 13 + HB2 LYS 13 OK 89 90 100 99 2.0-5.1 5.2=56, 1064/3.0=25...(37) HE2 LYS 13 + HB2 LYS 13 OK 88 89 100 99 2.4-4.8 5.2=56, 1064/3.0=24...(29) HE3 LYS 73 + HB3 LYS 73 OK 88 88 100 100 2.0-4.8 4.7=77, 3030/1.8=30...(35) HE2 LYS 73 + HB3 LYS 73 OK 85 89 95 100 2.9-5.4 4.7=77, 3030/1.8=28...(35) HE3 LYS 39 + HB3 LYS 39 OK 76 76 100 100 3.0-5.0 4.7=77, 1906/2.9=35...(45) HE2 LYS 39 + HB3 LYS 39 OK 76 80 95 100 2.0-5.3 4.7=77, 1906/2.9=35...(44) HE3 LYS 73 - HB3 LYS 75 far 10 98 10 - 4.2-12.7 HE3 LYS 75 - HB3 LYS 73 far 5 92 5 - 3.7-11.6 HE2 LYS 75 - HB3 LYS 73 far 5 93 5 - 5.1-12.9 HE3 LYS 32 - HB2 LYS 13 far 4 89 5 - 5.2-25.1 HE2 LYS 32 - HB2 LYS 13 far 4 88 5 - 4.2-25.8 HE2 LYS 73 - HB3 LYS 75 far 0 99 0 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 0 85 0 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 74 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 76 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 74 0 - 8.2-30.8 HB3 TYR 55 - HB3 LYS 39 far 0 68 0 - 8.9-12.5 HE2 LYS 39 - HB2 LYS 13 far 0 78 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 76 0 - 9.7-21.7 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.30 A): 8 out of 21 assignments used, quality = 1.00: HE2 LYS 75 + HB3 LYS 75 OK 95 100 95 100 2.0-5.2 5.0=65, ~3128=27...(36) * HE3 LYS 75 + HB3 LYS 75 OK 95 100 95 100 2.5-5.2 5.0=65, ~3128=27...(36) HE3 LYS 73 + HB3 LYS 73 OK 89 89 100 100 2.0-4.8 4.7=77, 3030/1.8=30...(35) HE3 LYS 13 + HB2 LYS 13 OK 89 89 100 99 2.0-5.1 5.2=56, 1064/3.0=25...(37) HE2 LYS 13 + HB2 LYS 13 OK 88 89 100 99 2.4-4.8 5.2=56, 1064/3.0=24...(29) HE2 LYS 73 + HB3 LYS 73 OK 85 90 95 100 2.9-5.4 4.7=77, 3030/1.8=29...(35) HE3 LYS 39 + HB3 LYS 39 OK 74 74 100 100 3.0-5.0 4.7=77, 1906/2.9=34...(45) HE2 LYS 39 + HB3 LYS 39 OK 74 78 95 100 2.0-5.3 4.7=77, 1906/2.9=34...(44) HE3 LYS 73 - HB3 LYS 75 far 10 99 10 - 4.2-12.7 HE3 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.7-11.6 HE2 LYS 75 - HB3 LYS 73 far 5 92 5 - 5.1-12.9 HE3 LYS 32 - HB2 LYS 13 far 4 89 5 - 5.2-25.1 HE2 LYS 32 - HB2 LYS 13 far 4 89 5 - 4.2-25.8 HE2 LYS 73 - HB3 LYS 75 far 0 99 0 - 5.4-12.8 HB3 TYR 81 - HB2 LYS 83 far 0 83 0 - 5.5-10.5 HB3 TYR 81 - HB2 LYS 13 far 0 72 0 - 7.4-59.2 HB3 TYR 81 - HB3 LYS 39 far 0 74 0 - 7.4-34.3 HE3 LYS 39 - HB2 LYS 13 far 0 72 0 - 8.2-30.8 HB3 TYR 55 - HB3 LYS 39 far 0 70 0 - 8.9-12.5 HE2 LYS 39 - HB2 LYS 13 far 0 76 0 - 8.9-29.0 HB3 TYR 81 - HB3 LYS 73 far 0 74 0 - 9.7-21.7 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 11 assignments used, quality = 1.00: * HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.2 3.9=100 HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.1-4.2 3.8=100 HA ALA 77 - HG2 LYS 75 far 5 97 5 - 4.6-10.4 HA LYS 75 - HG3 LYS 73 far 3 61 5 - 4.6-9.1 HA LYS 83 - HG2 LYS 85 far 3 59 5 - 4.7-10.0 HA ALA 77 - HG3 LYS 73 far 3 56 5 - 4.7-15.7 HA ALA 20 - HG3 LYS 75 far 0 89 0 - 5.6-29.0 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 5.7-10.1 HA ALA 20 - HG2 LYS 75 far 0 89 0 - 7.2-29.3 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 9.8-32.6 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 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HB2 LYS 75 + HG2 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 2.4-3.0 2.9=100 HB2 LYS 75 - HG3 LYS 73 poor 18 61 30 - 3.8-10.7 HB3 ARG 71 - HG3 LYS 75 far 0 97 0 - 4.8-15.4 HB3 ARG 71 - HG2 LYS 75 far 0 97 0 - 5.4-14.9 HB2 LYS 73 - HG3 LYS 75 far 0 83 0 - 5.5-10.3 HB2 LYS 73 - HG2 LYS 75 far 0 83 0 - 5.6-10.6 HB2 ARG 71 - HG3 LYS 75 far 0 97 0 - 6.1-14.7 HB2 ARG 71 - HG2 LYS 75 far 0 97 0 - 6.8-14.5 HB2 ARG 23 - HG2 LYS 75 far 0 100 0 - 7.9-24.4 HB2 ARG 23 - HG3 LYS 75 far 0 100 0 - 8.6-23.6 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 9.2-10.7 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 9.5-10.8 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 9.6-24.4 HB3 ARG 23 - HG3 LYS 75 far 0 100 0 - 9.9-23.8 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 13 assignments used, quality = 1.00: HB3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HB3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB3 LYS 73 + HG3 LYS 73 OK 56 56 100 100 2.2-2.7 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 poor 10 49 20 - 3.2-8.8 HB3 LYS 75 - HG3 LYS 73 far 9 61 15 - 2.7-10.8 HB3 LYS 73 - HG2 LYS 75 far 5 97 5 - 3.9-9.7 HB3 LYS 73 - HG3 LYS 75 far 5 97 5 - 4.2-9.3 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 5.1-11.3 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 5.4-15.0 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 7.4-9.5 HB2 ARG 69 - HG2 LYS 75 far 0 92 0 - 9.7-16.2 HB2 ARG 69 - HG3 LYS 75 far 0 92 0 - 9.8-15.7 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 6 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 75 + HG3 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 2.4-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.2-12.0 HD2 LYS 75 - HG3 LYS 73 far 3 61 5 - 2.0-11.9 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 6 assignments used, quality = 1.00: * HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 75 + HG3 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 2.4-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.2-12.0 HD2 LYS 75 - HG3 LYS 73 far 3 61 5 - 2.0-11.9 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 12 assignments used, quality = 1.00: * HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.0 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-3.9 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 100 100 2.4-4.1 3.7=100 HE2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 5 98 5 - 4.4-12.6 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 98 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 6.8-13.6 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 12 assignments used, quality = 1.00: HE3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-3.9 3.5=100 * HE3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.0 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.4-4.1 3.7=100 HE2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 5 99 5 - 4.4-12.6 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 99 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 6.8-13.6 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 11 assignments used, quality = 1.00: HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.2 3.9=100 * HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.1-4.2 3.8=100 HA ALA 77 - HG2 LYS 75 far 5 97 5 - 4.6-10.4 HA LYS 75 - HG3 LYS 73 far 3 61 5 - 4.6-9.1 HA LYS 83 - HG2 LYS 85 far 3 59 5 - 4.7-10.0 HA ALA 77 - HG3 LYS 73 far 3 56 5 - 4.7-15.7 HA ALA 20 - HG3 LYS 75 far 0 89 0 - 5.6-29.0 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 5.7-10.1 HA ALA 20 - HG2 LYS 75 far 0 89 0 - 7.2-29.3 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 9.8-32.6 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 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB2 LYS 75 + HG2 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 2.4-3.0 2.9=100 HB2 LYS 75 - HG3 LYS 73 poor 18 61 30 - 3.8-10.7 HB3 ARG 71 - HG3 LYS 75 far 0 97 0 - 4.8-15.4 HB3 ARG 71 - HG2 LYS 75 far 0 97 0 - 5.4-14.9 HB2 LYS 73 - HG3 LYS 75 far 0 83 0 - 5.5-10.3 HB2 LYS 73 - HG2 LYS 75 far 0 83 0 - 5.6-10.6 HB2 ARG 71 - HG3 LYS 75 far 0 97 0 - 6.1-14.7 HB2 ARG 71 - HG2 LYS 75 far 0 97 0 - 6.8-14.5 HB2 ARG 23 - HG2 LYS 75 far 0 100 0 - 7.9-24.4 HB2 ARG 23 - HG3 LYS 75 far 0 100 0 - 8.6-23.6 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 9.2-10.7 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 9.5-10.8 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 9.6-24.4 HB3 ARG 23 - HG3 LYS 75 far 0 100 0 - 9.9-23.8 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 13 assignments used, quality = 1.00: * HB3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB3 LYS 73 + HG3 LYS 73 OK 56 56 100 100 2.2-2.7 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 poor 10 49 20 - 3.2-8.8 HB3 LYS 75 - HG3 LYS 73 far 9 61 15 - 2.7-10.8 HB3 LYS 73 - HG2 LYS 75 far 5 97 5 - 3.9-9.7 HB3 LYS 73 - HG3 LYS 75 far 5 97 5 - 4.2-9.3 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 5.1-11.3 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 5.4-15.0 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 7.4-9.5 HB2 ARG 69 - HG2 LYS 75 far 0 92 0 - 9.7-16.2 HB2 ARG 69 - HG3 LYS 75 far 0 92 0 - 9.8-15.7 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 6 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 75 + HG3 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 2.4-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.2-12.0 HD2 LYS 75 - HG3 LYS 73 far 3 61 5 - 2.0-11.9 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 6 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 75 + HG3 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 2.4-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.2-12.0 HD2 LYS 75 - HG3 LYS 73 far 3 61 5 - 2.0-11.9 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 12 assignments used, quality = 1.00: HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.0 3.5=100 * HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-3.9 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 100 100 2.4-4.1 3.7=100 HE2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 5 98 5 - 4.4-12.6 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 98 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 6.8-13.6 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 12 assignments used, quality = 1.00: * HE3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-3.9 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.1-4.0 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.4-4.1 3.7=100 HE2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 2.2-12.2 HE3 LYS 73 - HG3 LYS 75 far 5 99 5 - 4.4-12.6 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 5.3-13.2 HE3 LYS 73 - HG2 LYS 75 far 0 99 0 - 5.6-13.6 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 6.8-13.6 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 3.77 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.1-4.5 4.7=53, 3.0/3118=34...(50) HA LYS 75 + HD3 LYS 75 OK 80 100 80 100 2.1-5.1 4.7=53, 3072/1.8=38...(50) HA ALA 12 - HD3 LYS 13 poor 19 93 20 - 2.5-8.0 HA ALA 12 - HD2 LYS 13 far 14 93 15 - 3.5-7.0 HA THR 15 - HD3 LYS 13 far 5 100 5 - 4.0-9.9 HA THR 15 - HD2 LYS 13 far 5 100 5 - 4.6-9.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 5.1-10.7 HA ALA 20 - HD2 LYS 75 far 0 89 0 - 5.4-29.3 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 6.3-11.2 HA ALA 20 - HD3 LYS 75 far 0 89 0 - 7.1-30.7 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 9.4-31.5 HA LYS 83 - HD3 LYS 13 far 0 100 0 - 9.9-62.7 Violated in 3 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.0-3.9 3.5=83, 3.0/3127=24...(49) HB2 LYS 75 + HD3 LYS 75 OK 94 100 95 99 2.3-4.2 3.5=83, 3.0/3127=20...(49) HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 4.3-12.4 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 5.6-12.4 HB3 ARG 71 - HD2 LYS 75 far 0 97 0 - 7.0-15.7 HB3 ARG 71 - HD3 LYS 75 far 0 97 0 - 7.4-16.0 HB2 ARG 71 - HD2 LYS 75 far 0 97 0 - 8.3-15.4 HB2 ARG 71 - HD3 LYS 75 far 0 97 0 - 8.7-15.7 HB2 LYS 39 - HD3 LYS 13 far 0 96 0 - 9.1-29.1 HB2 ARG 17 - HD2 LYS 13 far 0 100 0 - 9.7-17.6 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.7-28.7 HB2 ARG 23 - HD3 LYS 75 far 0 100 0 - 9.8-26.0 Violated in 4 structures by 0.01 A. Peak 3119 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.51 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 97 5 - 4.4-11.4 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 5.0-11.6 HB3 ARG 82 - HD3 LYS 13 far 0 78 0 - 5.2-57.9 HB3 ARG 82 - HD2 LYS 13 far 0 78 0 - 6.2-57.0 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 7.3-24.5 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 8.1-25.4 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 8.3-30.1 HB3 LYS 32 - HD3 LYS 13 far 0 93 0 - 8.3-24.3 HB2 ARG 69 - HD3 LYS 75 far 0 92 0 - 8.8-16.9 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 9.0-29.8 HB2 ARG 69 - HD2 LYS 75 far 0 92 0 - 9.0-16.9 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 9.7-25.8 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 19 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 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 2.4-3.0 2.9=100 HG3 LYS 73 - HD3 LYS 75 far 10 100 10 - 3.2-12.0 QB ALA 77 - HD3 LYS 75 far 9 93 10 - 3.8-9.8 HG3 LYS 73 - HD2 LYS 75 far 5 100 5 - 2.0-11.9 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 3.3-25.5 QB ALA 77 - HD2 LYS 75 far 5 93 5 - 3.3-9.4 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 4.7-26.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.0-11.8 QB ALA 78 - HD3 LYS 75 far 0 100 0 - 5.8-12.4 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 6.2-16.0 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.2-15.8 QB ALA 78 - HD3 LYS 13 far 0 100 0 - 6.7-43.1 QB ALA 78 - HD2 LYS 13 far 0 100 0 - 7.3-42.5 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 9.4-30.7 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 19 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 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 2.4-3.0 2.9=100 HG3 LYS 73 - HD3 LYS 75 far 10 100 10 - 3.2-12.0 QB ALA 77 - HD3 LYS 75 far 9 93 10 - 3.8-9.8 HG3 LYS 73 - HD2 LYS 75 far 5 100 5 - 2.0-11.9 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 3.3-25.5 QB ALA 77 - HD2 LYS 75 far 5 93 5 - 3.3-9.4 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 4.7-26.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.0-11.8 QB ALA 78 - HD3 LYS 75 far 0 100 0 - 5.8-12.4 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 6.2-16.0 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.2-15.8 QB ALA 78 - HD3 LYS 13 far 0 100 0 - 6.7-43.1 QB ALA 78 - HD2 LYS 13 far 0 100 0 - 7.3-42.5 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 9.4-30.7 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 21 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 96 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 96 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) * HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 98 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 87 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 87 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 9.8-29.8 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 21 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) * HE3 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 99 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 85 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 85 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 3.77 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.1-4.5 4.7=53, 3.0/3118=34...(50) * HA LYS 75 + HD3 LYS 75 OK 80 100 80 100 2.1-5.1 4.7=53, 3072/1.8=38...(50) HA ALA 12 - HD3 LYS 13 poor 19 93 20 - 2.5-8.0 HA ALA 12 - HD2 LYS 13 far 14 93 15 - 3.5-7.0 HA THR 15 - HD3 LYS 13 far 5 100 5 - 4.0-9.9 HA THR 15 - HD2 LYS 13 far 5 100 5 - 4.6-9.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 5.1-10.7 HA ALA 20 - HD2 LYS 75 far 0 89 0 - 5.4-29.3 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 6.3-11.2 HA ALA 20 - HD3 LYS 75 far 0 89 0 - 7.1-30.7 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 9.4-31.5 HA LYS 83 - HD3 LYS 13 far 0 100 0 - 9.9-62.7 Violated in 3 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 12 assignments used, quality = 1.00: HB2 LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.0-3.9 3.5=83, 3.0/3127=24...(49) * HB2 LYS 75 + HD3 LYS 75 OK 94 100 95 99 2.3-4.2 3.5=83, 3.0/3127=20...(49) HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 4.3-12.4 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 5.6-12.4 HB3 ARG 71 - HD2 LYS 75 far 0 97 0 - 7.0-15.7 HB3 ARG 71 - HD3 LYS 75 far 0 97 0 - 7.4-16.0 HB2 ARG 71 - HD2 LYS 75 far 0 97 0 - 8.3-15.4 HB2 ARG 71 - HD3 LYS 75 far 0 97 0 - 8.7-15.7 HB2 LYS 39 - HD3 LYS 13 far 0 96 0 - 9.1-29.1 HB2 ARG 17 - HD2 LYS 13 far 0 100 0 - 9.7-17.6 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.7-28.7 HB2 ARG 23 - HD3 LYS 75 far 0 100 0 - 9.8-26.0 Violated in 4 structures by 0.01 A. Peak 3129 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.51 A): 4 out of 16 assignments used, quality = 1.00: HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 * HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 97 5 - 4.4-11.4 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 5.0-11.6 HB3 ARG 82 - HD3 LYS 13 far 0 78 0 - 5.2-57.9 HB3 ARG 82 - HD2 LYS 13 far 0 78 0 - 6.2-57.0 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 7.3-24.5 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 8.1-25.4 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 8.3-30.1 HB3 LYS 32 - HD3 LYS 13 far 0 93 0 - 8.3-24.3 HB2 ARG 69 - HD3 LYS 75 far 0 92 0 - 8.8-16.9 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 9.0-29.8 HB2 ARG 69 - HD2 LYS 75 far 0 92 0 - 9.0-16.9 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 9.7-25.8 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 19 assignments used, quality = 1.00: * HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 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 2.4-3.0 2.9=100 HG3 LYS 73 - HD3 LYS 75 far 10 100 10 - 3.2-12.0 QB ALA 77 - HD3 LYS 75 far 9 93 10 - 3.8-9.8 HG3 LYS 73 - HD2 LYS 75 far 5 100 5 - 2.0-11.9 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 3.3-25.5 QB ALA 77 - HD2 LYS 75 far 5 93 5 - 3.3-9.4 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 4.7-26.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.0-11.8 QB ALA 78 - HD3 LYS 75 far 0 100 0 - 5.8-12.4 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 6.2-16.0 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.2-15.8 QB ALA 78 - HD3 LYS 13 far 0 100 0 - 6.7-43.1 QB ALA 78 - HD2 LYS 13 far 0 100 0 - 7.3-42.5 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 9.4-30.7 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 19 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 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 2.4-3.0 2.9=100 HG3 LYS 73 - HD3 LYS 75 far 10 100 10 - 3.2-12.0 QB ALA 77 - HD3 LYS 75 far 9 93 10 - 3.8-9.8 HG3 LYS 73 - HD2 LYS 75 far 5 100 5 - 2.0-11.9 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 3.3-25.5 QB ALA 77 - HD2 LYS 75 far 5 93 5 - 3.3-9.4 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 4.7-26.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.0-11.8 QB ALA 78 - HD3 LYS 75 far 0 100 0 - 5.8-12.4 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 6.2-16.0 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.2-15.8 QB ALA 78 - HD3 LYS 13 far 0 100 0 - 6.7-43.1 QB ALA 78 - HD2 LYS 13 far 0 100 0 - 7.3-42.5 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 8.5-16.7 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 8.6-16.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 9.4-30.7 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 21 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 96 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 96 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) * HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 98 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 87 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 87 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 9.8-29.8 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 21 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.2-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 1.8/3152=8...(27) * HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.5-3.0 2.9=81, 1.8/3152=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 1.8/3152=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 99 10 - 2.8-14.9 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.1-15.5 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 4.4-15.0 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.4-24.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 5.7-15.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.9-26.0 HB3 TYR 81 - HD3 LYS 13 far 0 85 0 - 6.2-57.0 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.0-27.4 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 7.2-26.2 HB3 TYR 81 - HD2 LYS 13 far 0 85 0 - 7.7-56.4 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.4-29.9 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 9.1-28.7 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 3137 from cnoeabs.peaks (4.24, 2.96, 41.78 ppm; 4.48 A): 4 out of 28 assignments used, quality = 0.98: HA LYS 75 + HE3 LYS 75 OK 90 100 90 100 4.5-5.7 3117/2.9=42, 3071/3.5=37...(49) * HA LYS 75 + HE2 LYS 75 OK 60 100 60 100 3.7-6.0 3117/2.9=42, 3071/3.5=37...(49) HA LYS 39 + HE2 LYS 39 OK 31 89 35 100 3.3-6.6 1837/3.6=72, 1836/3.6=65...(43) HA LYS 39 + HE3 LYS 39 OK 21 85 25 100 3.6-6.0 1837/3.6=72, 1836/3.6=65...(33) HA THR 15 - HE3 LYS 32 far 15 99 15 - 2.8-27.6 HA ALA 12 - HE2 LYS 13 poor 10 88 35 33 2.8-7.7 8/6.7=27, 3464/3.8=6 HA THR 15 - HE2 LYS 32 far 10 99 10 - 2.4-28.5 HA LYS 75 - HE3 LYS 73 far 10 98 10 - 4.3-11.9 HA ALA 12 - HE3 LYS 13 far 9 89 10 - 3.2-8.3 HA THR 15 - HE3 LYS 13 far 5 98 5 - 3.9-11.2 HA THR 15 - HE2 LYS 13 far 5 97 5 - 3.0-11.1 HA ALA 77 - HE2 LYS 73 far 5 94 5 - 4.4-18.3 HA ALA 77 - HE3 LYS 73 far 5 93 5 - 4.0-18.9 HA ALA 20 - HE2 LYS 75 far 4 89 5 - 5.3-30.8 HA ALA 12 - HE3 LYS 32 far 0 91 0 - 5.5-29.8 HA ALA 20 - HE3 LYS 75 far 0 89 0 - 5.7-29.7 HA LYS 75 - HE2 LYS 73 far 0 99 0 - 5.9-12.4 HA ALA 12 - HE2 LYS 32 far 0 90 0 - 6.8-30.1 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 7.4-12.1 HB THR 37 - HE2 LYS 39 far 0 67 0 - 7.8-11.2 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 7.8-12.5 HB THR 37 - HE3 LYS 39 far 0 64 0 - 8.1-11.0 HA LYS 39 - HE3 LYS 73 far 0 97 0 - 8.8-12.2 HA LYS 39 - HE2 LYS 73 far 0 97 0 - 9.0-11.8 HA LYS 83 - HE3 LYS 13 far 0 98 0 - 9.5-63.6 HA GLU 19 - HE2 LYS 75 far 0 95 0 - 9.7-32.1 HA ALA 20 - HE2 LYS 39 far 0 75 0 - 9.9-21.6 HA GLU 19 - HE3 LYS 75 far 0 94 0 - 9.9-32.8 Violated in 0 structures by 0.00 A. Peak 3138 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 3.80 A): 6 out of 21 assignments used, quality = 1.00: * HB2 LYS 75 + HE2 LYS 75 OK 89 100 90 99 3.1-5.3 5.0=45, 3128/2.9=34...(39) HB2 LYS 75 + HE3 LYS 75 OK 79 100 80 99 2.4-5.3 5.0=45, 3128/2.9=34...(39) HB2 LYS 39 + HE3 LYS 39 OK 79 79 100 100 4.1-4.7 4.7=54, 1884/3.0=29...(51) HB2 LYS 73 + HE2 LYS 73 OK 78 79 100 98 2.0-4.7 4.7=54, 3020/3.0=25...(43) HB2 LYS 39 + HE2 LYS 39 OK 74 83 90 100 2.9-5.1 4.7=54, 1884/3.0=29...(50) HB2 LYS 73 + HE3 LYS 73 OK 73 78 95 98 2.3-5.4 4.7=54, 3020/3.0=25...(43) HB2 LYS 75 - HE2 LYS 73 far 5 99 5 - 4.5-14.3 HB2 LYS 75 - HE3 LYS 73 far 5 98 5 - 3.0-13.9 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 4.8-12.5 HB3 ARG 71 - HE3 LYS 75 far 0 97 0 - 4.9-16.9 HB3 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.5-16.6 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 5.6-26.4 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 5.8-13.8 HB2 ARG 71 - HE3 LYS 75 far 0 97 0 - 6.2-17.0 HB2 ARG 71 - HE2 LYS 75 far 0 97 0 - 6.4-16.4 HB2 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-27.5 HB2 ARG 17 - HE2 LYS 39 far 0 90 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 100 0 - 8.6-25.1 HB2 ARG 71 - HE3 LYS 73 far 0 94 0 - 8.9-12.2 HB3 ARG 71 - HE3 LYS 73 far 0 93 0 - 9.4-12.5 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 11 out of 48 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 67 86 80 98 3.0-5.0 4.7=41, 2.9/1906=21...(39) HB3 LYS 32 + HE3 LYS 32 OK 67 91 75 98 2.1-4.9 4.6=44, 2.9/1638=25...(43) HB3 LYS 32 + HE2 LYS 32 OK 66 90 75 98 2.2-4.5 4.6=44, 2.9/1638=25...(43) HB2 LYS 13 + HE2 LYS 13 OK 59 97 65 94 2.4-4.8 5.2=29, 3.0/1074=16...(29) HB2 LYS 32 + HE3 LYS 32 OK 49 91 55 98 2.7-5.1 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 49 90 55 98 2.8-5.3 4.6=44, 2.9/1638=25...(43) HB3 LYS 75 + HE3 LYS 75 OK 48 100 50 97 2.5-5.2 5.0=34, ~3128=17...(36) HB2 LYS 13 + HE3 LYS 13 OK 46 98 50 95 2.0-5.1 5.2=29, 3.0/1074=17...(37) HB3 LYS 73 + HE3 LYS 73 OK 44 94 50 93 2.0-4.8 4.7=41, ~3020=18...(30) HB3 LYS 73 + HE2 LYS 73 OK 35 95 40 93 2.9-5.4 4.7=41, ~3020=18...(30) * HB3 LYS 75 + HE2 LYS 75 OK 34 100 35 97 2.0-5.2 5.0=34, ~3128=17...(36) HB3 LYS 39 - HE2 LYS 39 poor 18 89 20 - 2.0-5.3 HB2 LYS 13 - HE2 LYS 32 far 5 99 5 - 4.2-25.8 HB3 LYS 75 - HE3 LYS 73 far 5 98 5 - 4.2-12.7 HB3 LYS 73 - HE3 LYS 75 far 5 97 5 - 3.7-11.6 HB3 ARG 82 - HE3 LYS 13 far 0 73 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 73 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 88 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 87 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 89 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 62 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 83 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 96 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 60 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 51 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 82 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 81 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 48 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 89 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 90 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 78 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 75 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 64 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 78 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 92 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.11 A): 8 out of 47 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-3.9 3.5=71, 3.9/3147=10...(62) * HG2 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.0 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.2 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.6-4.0 3.7=60, 2.9/3030=13...(49) HG2 LYS 75 + HE3 LYS 75 OK 87 100 90 97 2.2-4.2 3.5=71, 3.9/3147=10...(62) HG3 LYS 39 + HE2 LYS 39 OK 78 78 100 99 2.0-3.7 3.6=66, 1879/3.0=25...(57) HG3 LYS 73 + HE3 LYS 73 OK 77 98 85 93 2.4-4.1 3.7=60, 2.9/3030=14...(49) HG3 LYS 39 + HE3 LYS 39 OK 74 75 100 99 2.0-4.0 3.6=66, 1879/3.0=25...(48) HG3 LYS 73 - HE2 LYS 75 far 10 100 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 9 89 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 100 5 - 2.2-12.2 QB ALA 78 - HE3 LYS 73 far 5 98 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 5 91 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 90 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 98 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 93 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 95 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 81 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 92 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 98 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 88 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 97 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 91 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3141 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.11 A): 8 out of 47 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-3.9 3.5=71, 3.9/3147=10...(62) HG2 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.0 3.5=71, ~3128=8, ~3118=8...(62) * HG3 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.2 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.6-4.0 3.7=60, 2.9/3030=13...(49) HG2 LYS 75 + HE3 LYS 75 OK 87 100 90 97 2.2-4.2 3.5=71, 3.9/3147=10...(62) HG3 LYS 39 + HE2 LYS 39 OK 78 78 100 99 2.0-3.7 3.6=66, 1879/3.0=25...(57) HG3 LYS 73 + HE3 LYS 73 OK 77 98 85 93 2.4-4.1 3.7=60, 2.9/3030=14...(49) HG3 LYS 39 + HE3 LYS 39 OK 74 75 100 99 2.0-4.0 3.6=66, 1879/3.0=25...(48) HG3 LYS 73 - HE2 LYS 75 far 10 100 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 9 89 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 100 5 - 2.2-12.2 QB ALA 78 - HE3 LYS 73 far 5 98 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 5 91 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 90 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 98 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 93 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 95 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 81 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 92 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 98 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 88 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 97 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 91 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3142 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 29 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 89 98 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 89 98 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) * HD2 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.4-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.5-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE3 LYS 13 poor 17 84 20 - 2.0-5.3 HB3 LYS 13 - HE2 LYS 13 poor 17 83 25 80 2.0-5.1 5.2=12, 3.0/1074=9...(49) HD2 LYS 75 - HE3 LYS 73 far 10 98 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 5.4-26.6 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.9-26.0 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 89 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 71 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 29 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 89 98 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 89 98 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.4-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.5-3.0 2.9=66, 3135/1.8=7...(25) * HD3 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE3 LYS 13 poor 17 84 20 - 2.0-5.3 HB3 LYS 13 - HE2 LYS 13 poor 17 83 25 80 2.0-5.1 5.2=12, 3.0/1074=9...(49) HD2 LYS 75 - HE3 LYS 73 far 10 98 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 5.4-26.6 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.9-26.0 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 89 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 71 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 9.8-29.8 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; 4.48 A): 4 out of 28 assignments used, quality = 0.98: * HA LYS 75 + HE3 LYS 75 OK 90 100 90 100 4.5-5.7 3117/2.9=42, 3071/3.5=37...(49) HA LYS 75 + HE2 LYS 75 OK 60 100 60 100 3.7-6.0 3117/2.9=42, 3071/3.5=37...(49) HA LYS 39 + HE2 LYS 39 OK 30 87 35 100 3.3-6.6 1837/3.6=72, 1836/3.6=65...(43) HA LYS 39 + HE3 LYS 39 OK 21 83 25 100 3.6-6.0 1837/3.6=72, 1836/3.6=65...(33) HA THR 15 - HE3 LYS 32 far 15 99 15 - 2.8-27.6 HA ALA 12 - HE2 LYS 13 poor 10 87 35 33 2.8-7.7 8/6.7=27, 3464/3.8=6 HA THR 15 - HE2 LYS 32 far 10 99 10 - 2.4-28.5 HA LYS 75 - HE3 LYS 73 far 10 99 10 - 4.3-11.9 HA ALA 12 - HE3 LYS 13 far 9 88 10 - 3.2-8.3 HA THR 15 - HE3 LYS 13 far 5 97 5 - 3.9-11.2 HA THR 15 - HE2 LYS 13 far 5 97 5 - 3.0-11.1 HA ALA 77 - HE2 LYS 73 far 5 94 5 - 4.4-18.3 HA ALA 77 - HE3 LYS 73 far 5 94 5 - 4.0-18.9 HA ALA 20 - HE2 LYS 75 far 4 89 5 - 5.3-30.8 HA ALA 12 - HE3 LYS 32 far 0 92 0 - 5.5-29.8 HA ALA 20 - HE3 LYS 75 far 0 89 0 - 5.7-29.7 HA LYS 75 - HE2 LYS 73 far 0 99 0 - 5.9-12.4 HA ALA 12 - HE2 LYS 32 far 0 91 0 - 6.8-30.1 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 7.4-12.1 HB THR 37 - HE2 LYS 39 far 0 65 0 - 7.8-11.2 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 7.8-12.5 HB THR 37 - HE3 LYS 39 far 0 62 0 - 8.1-11.0 HA LYS 39 - HE3 LYS 73 far 0 97 0 - 8.8-12.2 HA LYS 39 - HE2 LYS 73 far 0 98 0 - 9.0-11.8 HA LYS 83 - HE3 LYS 13 far 0 97 0 - 9.5-63.6 HA GLU 19 - HE2 LYS 75 far 0 94 0 - 9.7-32.1 HA ALA 20 - HE2 LYS 39 far 0 73 0 - 9.9-21.6 HA GLU 19 - HE3 LYS 75 far 0 95 0 - 9.9-32.8 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 3.80 A): 6 out of 21 assignments used, quality = 1.00: HB2 LYS 75 + HE2 LYS 75 OK 89 100 90 99 3.1-5.3 5.0=45, 3128/2.9=34...(39) * HB2 LYS 75 + HE3 LYS 75 OK 79 100 80 99 2.4-5.3 5.0=45, 3128/2.9=34...(39) HB2 LYS 73 + HE2 LYS 73 OK 79 80 100 98 2.0-4.7 4.7=54, 3020/3.0=25...(43) HB2 LYS 39 + HE3 LYS 39 OK 77 77 100 100 4.1-4.7 4.7=54, 1884/3.0=29...(51) HB2 LYS 73 + HE3 LYS 73 OK 74 79 95 98 2.3-5.4 4.7=54, 3020/3.0=25...(43) HB2 LYS 39 + HE2 LYS 39 OK 73 81 90 100 2.9-5.1 4.7=54, 1884/3.0=29...(50) HB2 LYS 75 - HE2 LYS 73 far 5 99 5 - 4.5-14.3 HB2 LYS 75 - HE3 LYS 73 far 5 99 5 - 3.0-13.9 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 4.8-12.5 HB3 ARG 71 - HE3 LYS 75 far 0 97 0 - 4.9-16.9 HB3 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.5-16.6 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 5.6-26.4 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 5.8-13.8 HB2 ARG 71 - HE3 LYS 75 far 0 97 0 - 6.2-17.0 HB2 ARG 71 - HE2 LYS 75 far 0 97 0 - 6.4-16.4 HB2 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.8-27.5 HB2 ARG 17 - HE2 LYS 39 far 0 88 0 - 8.6-22.2 HB2 ARG 23 - HE2 LYS 75 far 0 100 0 - 8.6-25.1 HB2 ARG 71 - HE3 LYS 73 far 0 95 0 - 8.9-12.2 HB3 ARG 71 - HE3 LYS 73 far 0 94 0 - 9.4-12.5 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3149 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 11 out of 48 assignments used, quality = 1.00: HB3 LYS 32 + HE3 LYS 32 OK 67 92 75 98 2.1-4.9 4.6=44, 2.9/1638=25...(43) HB3 LYS 32 + HE2 LYS 32 OK 67 91 75 98 2.2-4.5 4.6=44, 2.9/1638=25...(43) HB3 LYS 39 + HE3 LYS 39 OK 66 84 80 98 3.0-5.0 4.7=41, 2.9/1906=21...(39) HB2 LYS 13 + HE2 LYS 13 OK 59 97 65 94 2.4-4.8 5.2=29, 3.0/1074=16...(29) HB2 LYS 32 + HE3 LYS 32 OK 49 92 55 98 2.7-5.1 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 49 91 55 98 2.8-5.3 4.6=44, 2.9/1638=25...(43) * HB3 LYS 75 + HE3 LYS 75 OK 48 100 50 97 2.5-5.2 5.0=34, ~3128=17...(36) HB2 LYS 13 + HE3 LYS 13 OK 46 97 50 95 2.0-5.1 5.2=29, 3.0/1074=17...(37) HB3 LYS 73 + HE3 LYS 73 OK 44 95 50 93 2.0-4.8 4.7=41, ~3020=18...(30) HB3 LYS 73 + HE2 LYS 73 OK 36 95 40 93 2.9-5.4 4.7=41, ~3020=18...(30) HB3 LYS 75 + HE2 LYS 75 OK 34 100 35 97 2.0-5.2 5.0=34, ~3128=17...(36) HB3 LYS 39 - HE2 LYS 39 poor 17 87 20 - 2.0-5.3 HB2 LYS 13 - HE2 LYS 32 far 5 99 5 - 4.2-25.8 HB3 LYS 75 - HE3 LYS 73 far 5 99 5 - 4.2-12.7 HB3 LYS 73 - HE3 LYS 75 far 5 97 5 - 3.7-11.6 HB3 ARG 82 - HE3 LYS 13 far 0 73 0 - 4.5-58.7 HB3 ARG 82 - HE2 LYS 13 far 0 72 0 - 4.7-59.3 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 5.1-12.9 HB2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.2-25.1 HB3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.4-12.8 HB2 ARG 69 - HE3 LYS 73 far 0 89 0 - 5.8-10.7 HB2 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.3-12.0 HB2 ARG 69 - HE2 LYS 73 far 0 89 0 - 6.5-9.3 HB2 ARG 54 - HE3 LYS 39 far 0 60 0 - 6.6-10.5 HB3 LYS 32 - HE2 LYS 13 far 0 87 0 - 6.9-25.2 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 7.0-10.7 HB ILE 33 - HE2 LYS 39 far 0 70 0 - 7.1-12.6 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 7.3-12.0 HB2 PRO 34 - HE3 LYS 39 far 0 81 0 - 7.4-10.8 HB2 PRO 34 - HE2 LYS 32 far 0 97 0 - 7.5-12.7 HB ILE 33 - HE3 LYS 39 far 0 66 0 - 7.6-11.4 HG2 PRO 34 - HE3 LYS 32 far 0 61 0 - 7.6-11.5 HG2 PRO 34 - HE2 LYS 39 far 0 50 0 - 7.8-13.7 HB ILE 33 - HE3 LYS 32 far 0 83 0 - 7.8-10.3 HB ILE 33 - HE2 LYS 32 far 0 82 0 - 7.9-10.5 HG2 PRO 34 - HE3 LYS 39 far 0 47 0 - 8.1-12.7 HB2 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.2-30.8 HB2 LYS 32 - HE2 LYS 13 far 0 87 0 - 8.4-27.0 HB3 LYS 32 - HE3 LYS 13 far 0 88 0 - 8.6-24.3 HB2 LYS 13 - HE2 LYS 39 far 0 88 0 - 8.9-29.0 HB2 LYS 32 - HE3 LYS 13 far 0 88 0 - 8.9-25.7 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 9.0-12.5 HB2 ARG 69 - HE2 LYS 39 far 0 77 0 - 9.0-15.1 HB2 ARG 69 - HE3 LYS 39 far 0 73 0 - 9.2-14.3 HB2 LEU 57 - HE2 LYS 39 far 0 65 0 - 9.3-16.3 HB2 LEU 57 - HE3 LYS 39 far 0 62 0 - 9.5-15.8 HB2 LEU 57 - HE3 LYS 32 far 0 79 0 - 9.9-15.7 HB2 ARG 69 - HE2 LYS 75 far 0 92 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 3150 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.11 A): 8 out of 47 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-3.9 3.5=71, 3.9/3147=10...(62) HG2 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.0 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.2 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.6-4.0 3.7=60, 2.9/3030=13...(49) * HG2 LYS 75 + HE3 LYS 75 OK 87 100 90 97 2.2-4.2 3.5=71, 3.9/3147=10...(62) HG3 LYS 73 + HE3 LYS 73 OK 78 99 85 93 2.4-4.1 3.7=60, 2.9/3030=14...(49) HG3 LYS 39 + HE2 LYS 39 OK 76 77 100 99 2.0-3.7 3.6=66, 1879/3.0=25...(57) HG3 LYS 39 + HE3 LYS 39 OK 72 73 100 99 2.0-4.0 3.6=66, 1879/3.0=25...(48) HG3 LYS 73 - HE2 LYS 75 far 10 100 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 9 90 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 100 5 - 2.2-12.2 QB ALA 78 - HE3 LYS 73 far 5 99 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 5 92 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 91 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 99 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 93 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 80 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 93 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 95 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 97 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 97 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 90 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.11 A): 8 out of 47 assignments used, quality = 1.00: * HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-3.9 3.5=71, 3.9/3147=10...(62) HG2 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.0 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE2 LYS 75 OK 92 100 95 97 2.1-4.2 3.5=71, ~3128=8, ~3118=8...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.6-4.0 3.7=60, 2.9/3030=13...(49) HG2 LYS 75 + HE3 LYS 75 OK 87 100 90 97 2.2-4.2 3.5=71, 3.9/3147=10...(62) HG3 LYS 73 + HE3 LYS 73 OK 78 99 85 93 2.4-4.1 3.7=60, 2.9/3030=14...(49) HG3 LYS 39 + HE2 LYS 39 OK 76 77 100 99 2.0-3.7 3.6=66, 1879/3.0=25...(57) HG3 LYS 39 + HE3 LYS 39 OK 72 73 100 99 2.0-4.0 3.6=66, 1879/3.0=25...(48) HG3 LYS 73 - HE2 LYS 75 far 10 100 10 - 3.0-12.9 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.2-9.3 QB ALA 77 - HE3 LYS 73 far 9 90 10 - 2.6-15.7 HG3 LYS 73 - HE3 LYS 75 far 5 100 5 - 2.2-12.2 QB ALA 78 - HE3 LYS 73 far 5 99 5 - 3.3-18.6 HG3 ARG 69 - HE2 LYS 73 far 5 92 5 - 3.6-8.5 QB ALA 77 - HE2 LYS 73 far 5 91 5 - 2.9-15.0 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 4.1-26.7 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 4.2-25.7 HG3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-12.6 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 4.6-9.7 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 4.7-18.3 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 5.2-8.5 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.3-13.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 5.5-11.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 5.5-10.8 HG2 LYS 75 - HE3 LYS 73 far 0 99 0 - 5.6-13.6 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 5.9-12.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.0-13.3 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-13.6 QB ALA 20 - HE2 LYS 73 far 0 93 0 - 7.2-22.5 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-17.6 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 7.9-15.5 HG3 ARG 69 - HE2 LYS 39 far 0 80 0 - 8.3-15.4 QB ALA 20 - HE3 LYS 73 far 0 93 0 - 8.6-22.8 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 8.6-19.5 HG3 ARG 69 - HE3 LYS 75 far 0 95 0 - 8.8-16.5 QB ALA 78 - HE3 LYS 13 far 0 97 0 - 8.9-43.7 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.9-18.3 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 9.0-17.6 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-13.3 QB ALA 78 - HE2 LYS 13 far 0 97 0 - 9.1-44.1 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 9.1-22.6 QB ALA 20 - HE2 LYS 13 far 0 90 0 - 9.4-22.9 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.5-12.9 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 9.5-13.5 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.6-13.0 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 9.7-19.2 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 29 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.4-3.0 2.9=66, 1054/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1054/3.8=13...(31) HD3 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) * HD2 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.4-3.0 2.9=66, 3125/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.5-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE3 LYS 13 poor 17 83 20 - 2.0-5.3 HB3 LYS 13 - HE2 LYS 13 poor 17 82 25 80 2.0-5.1 5.2=12, 3.0/1074=8...(49) HD2 LYS 75 - HE3 LYS 73 far 10 99 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 5.4-26.6 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.9-26.0 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 87 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 70 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 9.8-29.8 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 29 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.4-3.0 2.9=66, 1054/3.8=13...(31) HD2 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1054/3.8=13...(31) HD3 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.2-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.4-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3125/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.4-3.0 2.9=66, 3125/1.8=7...(25) * HD3 LYS 75 + HE3 LYS 75 OK 86 100 100 86 2.5-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 86 100 100 86 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 - HE3 LYS 13 poor 17 83 20 - 2.0-5.3 HB3 LYS 13 - HE2 LYS 13 poor 17 82 25 80 2.0-5.1 5.2=12, 3.0/1074=8...(49) HD2 LYS 75 - HE3 LYS 73 far 10 99 10 - 2.8-14.9 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.1-15.5 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-15.0 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 4.7-26.4 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.4-24.8 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 5.4-26.6 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 5.7-15.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.9-26.0 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.0-27.4 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.0-12.7 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 7.2-26.2 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 7.6-12.9 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.4-29.9 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 8.7-11.7 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 9.1-28.7 HB3 GLN 61 - HE2 LYS 39 far 0 87 0 - 9.6-15.9 HB3 LYS 13 - HE3 LYS 39 far 0 70 0 - 9.7-30.5 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 9.8-29.8 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 4 assignments used, quality = 1.00: * H VAL 76 + HA VAL 76 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 70 - HA VAL 76 far 0 99 0 - 7.0-14.2 H ARG 69 - HA VAL 76 far 0 76 0 - 9.3-16.9 H ASP 67 - HA VAL 76 far 0 60 0 - 9.9-18.7 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 4 assignments used, quality = 1.00: * HB VAL 76 + HA VAL 76 OK 100 100 100 100 2.5-3.0 3.0=100 HB VAL 45 - HA VAL 76 far 0 81 0 - 5.6-20.7 HD3 ARG 69 - HA VAL 76 far 0 93 0 - 8.1-15.8 HD2 ARG 69 - HA VAL 76 far 0 93 0 - 8.7-17.4 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 94 100 100 94 2.0-2.7 3.2=75, 4.3/349=26...(13) * QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.1-3.2 3.2=75, 815/3.0=30...(14) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 5.8-13.6 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 94 100 100 94 2.0-2.7 3.2=75, 4.3/349=26...(13) QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.1-3.2 3.2=75, 815/3.0=30...(14) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 5.8-13.6 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (7.96, 2.04, 32.56 ppm; 3.69 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 76 + HB VAL 76 OK 100 100 100 100 2.6-3.5 813=100, 814/2.1=57...(8) H LYS 32 + HB3 MET 31 OK 45 48 100 92 3.3-4.2 90/3.0=50, 4.7=50...(9) H ALA 30 - HB3 MET 31 far 0 42 0 - 4.7-6.5 H LEU 29 - HB3 MET 31 far 0 62 0 - 4.8-7.1 H ALA 63 - HB3 MET 31 far 0 50 0 - 7.1-9.6 H ARG 70 - HB VAL 76 far 0 99 0 - 7.4-15.6 H ASP 67 - HB3 MET 31 far 0 32 0 - 9.4-10.7 H ARG 69 - HB VAL 76 far 0 76 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (3.97, 2.04, 32.56 ppm; 3.73 A): 3 out of 6 assignments used, quality = 1.00: * HA VAL 76 + HB VAL 76 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 61 + HB3 MET 31 OK 43 64 85 78 3.0-6.0 5079/4.3=41...(10) HA ALA 28 + HB3 MET 31 OK 36 60 65 92 3.2-5.4 4176/1.8=52, 5529=31...(11) HA LYS 32 - HB3 MET 31 far 0 61 0 - 5.2-5.9 HA2 GLY 72 - HB VAL 76 far 0 100 0 - 8.4-15.7 HA3 GLY 21 - HB VAL 76 far 0 89 0 - 9.9-30.0 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 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 7.2-10.4 QG2 VAL 41 - HB VAL 76 far 0 93 0 - 8.2-14.4 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 8.7-10.4 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 9.1-11.5 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 9.6-16.4 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 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 7.2-10.4 QG2 VAL 41 - HB VAL 76 far 0 93 0 - 8.2-14.4 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 8.7-10.4 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 9.1-11.5 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 9.6-16.4 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 8 assignments used, quality = 1.00: H VAL 76 + QG2 VAL 76 OK 99 100 100 99 2.4-4.1 813/2.1=74, 3.9=73...(11) * H VAL 76 + QG1 VAL 76 OK 99 100 100 99 2.2-4.0 813/2.1=74, 3.9=73...(13) H ARG 70 - QG1 VAL 76 far 0 99 0 - 5.8-11.8 H ARG 70 - QG2 VAL 76 far 0 99 0 - 7.3-13.5 H ARG 69 - QG1 VAL 76 far 0 76 0 - 7.7-13.7 H ARG 69 - QG2 VAL 76 far 0 75 0 - 8.8-15.7 H ASP 67 - QG1 VAL 76 far 0 60 0 - 9.0-15.6 H ASP 67 - QG2 VAL 76 far 0 59 0 - 9.1-17.5 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 11 assignments used, quality = 1.00: * HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.0-2.7 3.2=100 HA2 GLY 72 - QG1 VAL 76 far 0 100 0 - 6.6-12.1 HA2 GLY 72 - QG2 VAL 76 far 0 99 0 - 6.8-13.2 HA ARG 66 - QG1 VAL 76 far 0 98 0 - 8.1-14.7 HA ARG 66 - QG2 VAL 76 far 0 97 0 - 8.1-16.5 HA3 GLY 21 - QG1 VAL 76 far 0 89 0 - 8.3-23.6 HA3 GLY 21 - QG2 VAL 76 far 0 88 0 - 8.7-24.9 HA GLU 50 - QG2 VAL 90 far 0 75 0 - 9.1-50.4 HA2 GLY 21 - QG1 VAL 76 far 0 90 0 - 9.2-23.9 HA2 GLY 21 - QG2 VAL 76 far 0 89 0 - 9.9-25.5 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 - QG1 VAL 90 far 4 77 5 - 3.7-6.1 HB3 GLN 91 - QG2 VAL 90 far 4 75 5 - 3.5-7.1 HB VAL 45 - QG2 VAL 76 far 0 80 0 - 4.2-17.5 HD3 ARG 69 - QG2 VAL 76 far 0 92 0 - 5.3-14.7 HB2 GLU 87 - QG2 VAL 90 far 0 67 0 - 5.3-11.4 HD3 ARG 69 - QG1 VAL 76 far 0 93 0 - 5.4-13.8 HB VAL 45 - QG1 VAL 76 far 0 81 0 - 5.5-16.0 HD2 ARG 69 - QG1 VAL 76 far 0 93 0 - 5.7-13.0 HD2 ARG 69 - QG2 VAL 76 far 0 92 0 - 5.9-14.7 HB2 GLU 87 - QG1 VAL 90 far 0 69 0 - 7.1-11.5 HB3 PRO 56 - QG1 VAL 90 far 0 69 0 - 7.4-51.3 HB3 PRO 56 - QG2 VAL 90 far 0 67 0 - 8.7-51.0 HB3 GLU 50 - QG2 VAL 90 far 0 75 0 - 9.1-51.3 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 9.4-20.6 HG2 PRO 56 - QG1 VAL 90 far 0 76 0 - 9.7-51.5 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 8 assignments used, quality = 1.00: * H VAL 76 + QG2 VAL 76 OK 99 100 100 99 2.4-4.1 813/2.1=74, 3.9=73...(11) H VAL 76 + QG1 VAL 76 OK 99 100 100 99 2.2-4.0 813/2.1=74, 3.9=73...(13) H ARG 70 - QG1 VAL 76 far 0 99 0 - 5.8-11.8 H ARG 70 - QG2 VAL 76 far 0 99 0 - 7.3-13.5 H ARG 69 - QG1 VAL 76 far 0 75 0 - 7.7-13.7 H ARG 69 - QG2 VAL 76 far 0 76 0 - 8.8-15.7 H ASP 67 - QG1 VAL 76 far 0 59 0 - 9.0-15.6 H ASP 67 - QG2 VAL 76 far 0 60 0 - 9.1-17.5 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 11 assignments used, quality = 1.00: * HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.0-2.7 3.2=100 HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA2 GLY 72 - QG1 VAL 76 far 0 99 0 - 6.6-12.1 HA2 GLY 72 - QG2 VAL 76 far 0 100 0 - 6.8-13.2 HA ARG 66 - QG1 VAL 76 far 0 97 0 - 8.1-14.7 HA ARG 66 - QG2 VAL 76 far 0 98 0 - 8.1-16.5 HA3 GLY 21 - QG1 VAL 76 far 0 88 0 - 8.3-23.6 HA3 GLY 21 - QG2 VAL 76 far 0 89 0 - 8.7-24.9 HA GLU 50 - QG2 VAL 90 far 0 71 0 - 9.1-50.4 HA2 GLY 21 - QG1 VAL 76 far 0 89 0 - 9.2-23.9 HA2 GLY 21 - QG2 VAL 76 far 0 90 0 - 9.9-25.5 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 - QG1 VAL 90 far 4 74 5 - 3.7-6.1 HB3 GLN 91 - QG2 VAL 90 far 4 71 5 - 3.5-7.1 HB VAL 45 - QG2 VAL 76 far 0 81 0 - 4.2-17.5 HD3 ARG 69 - QG2 VAL 76 far 0 93 0 - 5.3-14.7 HB2 GLU 87 - QG2 VAL 90 far 0 63 0 - 5.3-11.4 HD3 ARG 69 - QG1 VAL 76 far 0 92 0 - 5.4-13.8 HB VAL 45 - QG1 VAL 76 far 0 80 0 - 5.5-16.0 HD2 ARG 69 - QG1 VAL 76 far 0 92 0 - 5.7-13.0 HD2 ARG 69 - QG2 VAL 76 far 0 93 0 - 5.9-14.7 HB2 GLU 87 - QG1 VAL 90 far 0 66 0 - 7.1-11.5 HB3 PRO 56 - QG1 VAL 90 far 0 66 0 - 7.4-51.3 HB3 PRO 56 - QG2 VAL 90 far 0 63 0 - 8.7-51.0 HB3 GLU 50 - QG2 VAL 90 far 0 71 0 - 9.1-51.3 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 9.4-20.6 HG2 PRO 56 - QG1 VAL 90 far 0 72 0 - 9.7-51.5 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): 2 out of 11 assignments used, quality = 1.00: * H ALA 77 + HA ALA 77 OK 100 100 100 100 2.3-2.9 3.0=100 H GLN 79 + HA ALA 78 OK 50 50 100 100 2.2-3.6 3.6=100 H GLN 79 - HA ALA 77 poor 9 97 25 37 3.1-6.9 4.6/3988=24, 358/2.1=11...(5) H SER 22 - HA ALA 20 poor 8 42 20 - 3.4-7.1 H ALA 77 - HA ALA 78 far 8 54 15 - 4.6-5.9 H THR 15 - HA ALA 78 far 0 36 0 - 4.9-48.9 H GLU 25 - HA ALA 20 far 0 30 0 - 5.7-10.2 H ALA 28 - HA ALA 20 far 0 45 0 - 6.1-13.9 H THR 15 - HA ALA 77 far 0 78 0 - 6.5-45.7 H ALA 77 - HA ALA 20 far 0 51 0 - 7.5-29.9 H SER 22 - HA ALA 77 far 0 92 0 - 8.9-28.5 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 26 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 20 - HA ALA 77 far 5 100 5 - 3.5-27.3 QB ALA 78 - HA ALA 77 far 0 96 0 - 3.7-4.9 QB ALA 77 - HA ALA 78 far 0 54 0 - 3.9-5.0 QB ALA 77 - HA ALA 20 far 0 51 0 - 4.2-26.2 HG2 LYS 75 - HA ALA 77 far 0 93 0 - 4.6-10.4 HG3 LYS 73 - HA ALA 77 far 0 96 0 - 4.7-15.7 HG3 LYS 75 - HA ALA 20 far 0 44 0 - 5.6-29.0 QB ALA 16 - HA ALA 20 far 0 41 0 - 5.7-12.2 QB ALA 16 - HA ALA 78 far 0 44 0 - 5.7-37.9 HG3 LYS 75 - HA ALA 77 far 0 93 0 - 5.7-10.1 HG2 LYS 75 - HA ALA 78 far 0 46 0 - 6.4-13.3 QB ALA 20 - HA ALA 78 far 0 54 0 - 6.7-29.0 HG3 LYS 73 - HA ALA 78 far 0 48 0 - 6.9-17.7 HG3 ARG 69 - HA ALA 77 far 0 100 0 - 7.0-17.4 HG2 LYS 75 - HA ALA 20 far 0 44 0 - 7.2-29.3 HG3 ARG 69 - HA ALA 78 far 0 54 0 - 7.2-19.1 QB ALA 78 - HA ALA 20 far 0 46 0 - 7.6-29.3 HG2 LYS 83 - HA ALA 78 far 0 52 0 - 7.7-18.1 QB ALA 16 - HA ALA 77 far 0 90 0 - 7.9-35.5 HG3 LYS 75 - HA ALA 78 far 0 46 0 - 8.0-13.1 HB3 ARG 69 - HA ALA 77 far 0 85 0 - 8.4-18.7 HB3 ARG 69 - HA ALA 78 far 0 40 0 - 8.5-22.0 HG3 LYS 39 - HA ALA 20 far 0 24 0 - 8.9-21.5 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 34 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 ALA 77 - QB ALA 20 far 0 100 0 - 3.5-27.3 HA LYS 75 - QB ALA 77 far 0 97 0 - 3.6-7.0 HA ALA 77 - QB ALA 78 far 0 92 0 - 3.7-4.9 HA GLU 19 - QB ALA 20 far 0 75 0 - 3.7-5.0 HA THR 15 - QB ALA 16 far 0 56 0 - 3.7-5.0 HB THR 37 - QB ALA 20 far 0 96 0 - 3.8-12.9 HA ALA 78 - QB ALA 77 far 0 63 0 - 3.9-5.0 HA ALA 20 - QB ALA 77 far 0 65 0 - 4.2-26.2 HA GLU 19 - QB ALA 77 far 0 76 0 - 4.5-27.9 HA GLU 19 - QB ALA 16 far 0 41 0 - 4.7-9.2 HA LYS 75 - QB ALA 20 far 0 97 0 - 5.0-24.0 HA GLU 19 - QB ALA 78 far 0 64 0 - 5.6-30.4 HA THR 15 - QB ALA 78 far 0 85 0 - 5.7-40.3 HA ALA 20 - QB ALA 16 far 0 34 0 - 5.7-12.2 HA ALA 78 - QB ALA 16 far 0 33 0 - 5.7-37.9 HA LYS 75 - QB ALA 78 far 0 87 0 - 6.4-10.3 HA LYS 83 - QB ALA 78 far 0 88 0 - 6.7-14.0 HA ALA 78 - QB ALA 20 far 0 62 0 - 6.7-29.0 HA LYS 39 - QB ALA 16 far 0 52 0 - 6.8-19.2 HA ALA 20 - QB ALA 78 far 0 55 0 - 7.6-29.3 HA THR 15 - QB ALA 20 far 0 95 0 - 7.7-16.3 HA LYS 39 - QB ALA 20 far 0 90 0 - 7.7-18.6 HA ALA 77 - QB ALA 16 far 0 63 0 - 7.9-35.5 HA LEU 64 - QB ALA 77 far 0 68 0 - 8.1-19.7 HA THR 15 - QB ALA 77 far 0 96 0 - 8.1-37.7 HB THR 37 - QB ALA 77 far 0 97 0 - 8.4-21.4 HA LYS 83 - QB ALA 77 far 0 98 0 - 8.4-17.5 HB THR 37 - QB ALA 16 far 0 58 0 - 9.3-17.2 HB THR 37 - QB ALA 78 far 0 86 0 - 9.3-23.9 HA ALA 12 - QB ALA 16 far 0 39 0 - 9.4-12.1 HA LEU 64 - QB ALA 78 far 0 57 0 - 9.8-23.2 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 2.3-2.9 2.9=100 H ALA 78 + HA ALA 77 OK 57 57 100 100 2.1-3.5 3.6=100 H ASN 74 - HA ALA 77 far 3 56 5 - 4.6-12.1 H ASN 74 - HA ALA 78 far 0 100 0 - 7.0-14.0 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 19 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 20 - HA ALA 77 far 3 52 5 - 3.5-27.3 QB ALA 78 - HA ALA 77 far 0 57 0 - 3.7-4.9 QB ALA 77 - HA ALA 78 far 0 96 0 - 3.9-5.0 HG2 LYS 75 - HA ALA 77 far 0 57 0 - 4.6-10.4 HG3 LYS 73 - HA ALA 77 far 0 57 0 - 4.7-15.7 QB ALA 16 - HA ALA 78 far 0 63 0 - 5.7-37.9 HG3 LYS 75 - HA ALA 77 far 0 57 0 - 5.7-10.1 HG2 LYS 75 - HA ALA 78 far 0 100 0 - 6.4-13.3 QB ALA 20 - HA ALA 78 far 0 97 0 - 6.7-29.0 HG3 LYS 73 - HA ALA 78 far 0 100 0 - 6.9-17.7 HG3 ARG 69 - HA ALA 77 far 0 51 0 - 7.0-17.4 HG3 ARG 69 - HA ALA 78 far 0 97 0 - 7.2-19.1 HG2 LYS 83 - HA ALA 78 far 0 85 0 - 7.7-18.1 QB ALA 16 - HA ALA 77 far 0 29 0 - 7.9-35.5 HG3 LYS 75 - HA ALA 78 far 0 100 0 - 8.0-13.1 HB3 ARG 69 - HA ALA 77 far 0 55 0 - 8.4-18.7 HB3 ARG 69 - HA ALA 78 far 0 99 0 - 8.5-22.0 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 11 assignments used, quality = 1.00: * H ALA 78 + QB ALA 78 OK 100 100 100 100 2.0-2.9 2.9=100 H ALA 78 + QB ALA 77 OK 90 92 100 98 2.1-3.7 3.6=94, 354/2.1=43...(6) H ARG 26 - QB ALA 20 far 12 81 15 - 3.3-9.8 H ASN 74 - QB ALA 77 far 9 91 10 - 1.9-10.5 H ALA 78 - QB ALA 20 far 0 96 0 - 4.5-28.2 H ASN 74 - QB ALA 78 far 0 100 0 - 5.5-12.9 H ILE 89 - QB ALA 53 far 0 35 0 - 5.7-47.5 H LEU 57 - QB ALA 53 far 0 59 0 - 6.2-7.2 H THR 88 - QB ALA 53 far 0 47 0 - 7.2-44.5 H ASN 74 - QB ALA 20 far 0 95 0 - 7.6-20.5 H ARG 26 - QB ALA 77 far 0 77 0 - 9.5-23.3 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 18 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 15 98 15 - 3.7-4.6 HA ALA 77 - QB ALA 78 far 3 65 5 - 3.7-4.9 HA ALA 77 - QB ALA 20 far 3 59 5 - 3.5-27.3 HB THR 37 - QB ALA 20 far 0 81 0 - 3.8-12.9 HA ALA 78 - QB ALA 77 far 0 92 0 - 3.9-5.0 HA GLN 79 - QB ALA 77 far 0 88 0 - 4.0-7.2 HA LYS 73 - QB ALA 77 far 0 58 0 - 4.0-13.2 HA LYS 73 - QB ALA 20 far 0 62 0 - 6.0-20.2 HA LYS 73 - QB ALA 78 far 0 69 0 - 6.7-15.3 HA ALA 78 - QB ALA 20 far 0 96 0 - 6.7-29.0 HA GLN 79 - QB ALA 20 far 0 92 0 - 8.3-32.1 HB THR 37 - QB ALA 77 far 0 77 0 - 8.4-21.4 HB THR 37 - QB ALA 78 far 0 89 0 - 9.3-23.9 HA ARG 84 - QB ALA 53 far 0 39 0 - 9.7-36.2 HA LYS 85 - QB ALA 53 far 0 38 0 - 9.7-38.5 HA ARG 84 - QB ALA 78 far 0 78 0 - 9.8-15.5 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 9 assignments used, quality = 1.00: * HB2 GLN 79 + HA GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HA GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HB2 ARG 70 - HA GLN 79 far 0 96 0 - 4.7-21.0 HG2 PRO 14 - HA GLN 79 far 0 87 0 - 5.4-56.1 HG3 PRO 14 - HA GLN 79 far 0 87 0 - 5.4-57.1 HB3 GLN 79 - HA ARG 82 far 0 39 0 - 5.8-12.0 HB3 ARG 70 - HA GLN 79 far 0 96 0 - 5.9-19.3 HB2 GLN 79 - HA ARG 82 far 0 74 0 - 6.6-11.8 HB3 ARG 66 - HA GLN 79 far 0 71 0 - 9.2-25.7 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 7 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 2.3-3.0 3.0=100 HG2 PRO 14 - HA GLN 79 far 0 97 0 - 5.4-56.1 HG3 PRO 14 - HA GLN 79 far 0 97 0 - 5.4-57.1 HB3 GLN 79 - HA ARG 82 far 0 74 0 - 5.8-12.0 HB2 GLN 79 - HA ARG 82 far 0 39 0 - 6.6-11.8 HG2 ARG 66 - HA GLN 79 far 0 90 0 - 9.2-26.9 Violated in 0 structures by 0.00 A. Peak 3192 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 79 + HA GLN 79 OK 98 100 100 98 2.1-3.9 3.7=95, 5415/3.0=22...(7) HG3 GLN 79 + HA GLN 79 OK 98 100 100 98 2.6-4.2 3.7=95, 5415/3.0=22...(7) HG2 GLN 79 - HA ARG 82 far 0 74 0 - 4.7-12.9 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 6.0-13.3 HG3 GLU 25 - HA GLN 79 far 0 71 0 - 8.5-34.6 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLN 79 + HA GLN 79 OK 98 100 100 98 2.1-3.9 3.7=95, 5415/3.0=22...(7) * HG3 GLN 79 + HA GLN 79 OK 98 100 100 98 2.6-4.2 3.7=95, 5415/3.0=22...(7) HG2 GLN 79 - HA ARG 82 far 0 74 0 - 4.7-12.9 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 6.0-13.3 HG3 GLU 25 - HA GLN 79 far 0 71 0 - 8.5-34.6 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 11 assignments used, quality = 1.00: * HA GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB2 GLN 79 far 10 98 10 - 4.1-6.6 HA ALA 78 - HB3 GLN 79 far 9 59 15 - 3.9-6.6 HA ARG 82 - HB3 GLN 79 far 0 44 0 - 5.8-12.0 HA ARG 82 - HB2 GLN 79 far 0 81 0 - 6.6-11.8 HA ARG 84 - HB2 GLN 79 far 0 95 0 - 7.6-17.5 HB THR 37 - HB2 GLN 79 far 0 68 0 - 8.9-33.5 HA ARG 84 - HB3 GLN 79 far 0 55 0 - 9.0-17.8 HA LYS 73 - HB2 GLN 79 far 0 87 0 - 9.2-21.5 HB THR 37 - HB3 GLN 79 far 0 36 0 - 9.5-33.9 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 5 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 2.2-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 GLU 25 - HB2 GLN 79 far 0 71 0 - 9.1-36.2 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 5 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 2.2-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 GLU 25 - HB2 GLN 79 far 0 71 0 - 9.1-36.2 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 10 assignments used, quality = 1.00: * H GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.1-3.9 4.0=100 H GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.2-3.9 4.0=100 H ALA 77 - HB3 GLN 79 far 10 98 10 - 3.3-9.8 H ALA 77 - HB2 GLN 79 far 6 59 10 - 4.9-10.6 H ARG 84 - HB2 GLN 79 far 0 48 0 - 8.1-15.8 H ARG 84 - HG2 ARG 66 far 0 72 0 - 8.3-31.9 H ALA 77 - HG2 ARG 66 far 0 85 0 - 8.3-20.9 H THR 15 - HB2 GLN 79 far 0 55 0 - 8.3-53.8 H THR 15 - HB3 GLN 79 far 0 95 0 - 8.8-54.1 H ARG 84 - HB3 GLN 79 far 0 87 0 - 9.5-15.6 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 13 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 2.3-3.0 3.0=100 HA ALA 78 - HB3 GLN 79 far 15 98 15 - 3.9-6.6 HA ALA 78 - HB2 GLN 79 far 6 59 10 - 4.1-6.6 HA ARG 82 - HB3 GLN 79 far 0 81 0 - 5.8-12.0 HA ARG 82 - HB2 GLN 79 far 0 44 0 - 6.6-11.8 HA ARG 84 - HB2 GLN 79 far 0 55 0 - 7.6-17.5 HB THR 37 - HB2 GLN 79 far 0 36 0 - 8.9-33.5 HA ARG 84 - HB3 GLN 79 far 0 95 0 - 9.0-17.8 HA LYS 73 - HB2 GLN 79 far 0 48 0 - 9.2-21.5 HA GLN 79 - HG2 ARG 66 far 0 89 0 - 9.2-26.9 HB THR 37 - HB3 GLN 79 far 0 68 0 - 9.5-33.9 HA ARG 84 - HG2 ARG 66 far 0 80 0 - 9.6-32.1 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 8 assignments used, quality = 1.00: * HG2 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 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 - 7.0-11.9 HG2 GLN 79 - HG2 ARG 66 far 0 89 0 - 8.2-28.1 HG3 GLU 25 - HB2 GLN 79 far 0 37 0 - 9.1-36.2 HG3 GLN 79 - HG2 ARG 66 far 0 89 0 - 9.4-28.6 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 8 assignments used, quality = 1.00: HG2 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 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 - 7.0-11.9 HG2 GLN 79 - HG2 ARG 66 far 0 89 0 - 8.2-28.1 HG3 GLU 25 - HB2 GLN 79 far 0 37 0 - 9.1-36.2 HG3 GLN 79 - HG2 ARG 66 far 0 89 0 - 9.4-28.6 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 14 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 2.2-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 PRO 14 - HG3 GLN 79 far 4 87 5 - 2.1-56.7 HG3 PRO 14 - HG2 GLN 79 far 4 87 5 - 2.7-57.2 HG2 PRO 14 - HG3 GLN 79 far 4 87 5 - 3.1-55.7 HG2 PRO 14 - HG2 GLN 79 far 4 87 5 - 3.4-56.3 HB2 ARG 70 - HG2 GLN 79 far 0 96 0 - 5.9-21.4 HB3 ARG 70 - HG2 GLN 79 far 0 96 0 - 6.9-20.2 HB2 ARG 70 - HG3 GLN 79 far 0 96 0 - 7.1-21.2 HB3 ARG 66 - HG2 GLN 79 far 0 71 0 - 7.5-26.7 HB3 ARG 70 - HG3 GLN 79 far 0 96 0 - 7.7-21.3 HB3 ARG 66 - HG3 GLN 79 far 0 71 0 - 8.6-26.8 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 11 assignments used, quality = 1.00: * HB3 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 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 HG3 PRO 14 - HG3 GLN 79 far 5 97 5 - 2.1-56.7 HG3 PRO 14 - HG2 GLN 79 far 5 97 5 - 2.7-57.2 HG2 PRO 14 - HG3 GLN 79 far 5 97 5 - 3.1-55.7 HG2 PRO 14 - HG2 GLN 79 far 5 97 5 - 3.4-56.3 HG2 ARG 66 - HG2 GLN 79 far 0 90 0 - 8.2-28.1 HG2 ARG 66 - HG3 GLN 79 far 0 90 0 - 9.4-28.6 HB3 MET 11 - HG3 GLN 79 far 0 96 0 - 9.7-62.0 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 14 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 2.2-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 PRO 14 - HG3 GLN 79 far 4 87 5 - 2.1-56.7 HG3 PRO 14 - HG2 GLN 79 far 4 87 5 - 2.7-57.2 HG2 PRO 14 - HG3 GLN 79 far 4 87 5 - 3.1-55.7 HG2 PRO 14 - HG2 GLN 79 far 4 87 5 - 3.4-56.3 HB2 ARG 70 - HG2 GLN 79 far 0 96 0 - 5.9-21.4 HB3 ARG 70 - HG2 GLN 79 far 0 96 0 - 6.9-20.2 HB2 ARG 70 - HG3 GLN 79 far 0 96 0 - 7.1-21.2 HB3 ARG 66 - HG2 GLN 79 far 0 71 0 - 7.5-26.7 HB3 ARG 70 - HG3 GLN 79 far 0 96 0 - 7.7-21.3 HB3 ARG 66 - HG3 GLN 79 far 0 71 0 - 8.6-26.8 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 11 assignments used, quality = 1.00: HB3 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 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 HG3 PRO 14 - HG3 GLN 79 far 5 97 5 - 2.1-56.7 HG3 PRO 14 - HG2 GLN 79 far 5 97 5 - 2.7-57.2 HG2 PRO 14 - HG3 GLN 79 far 5 97 5 - 3.1-55.7 HG2 PRO 14 - HG2 GLN 79 far 5 97 5 - 3.4-56.3 HG2 ARG 66 - HG2 GLN 79 far 0 90 0 - 8.2-28.1 HG2 ARG 66 - HG3 GLN 79 far 0 90 0 - 9.4-28.6 HB3 MET 11 - HG3 GLN 79 far 0 96 0 - 9.7-62.0 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 19 assignments used, quality = 1.00: * HB2 ARG 82 + HA ARG 82 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LYS 83 - HA ARG 82 poor 15 76 20 - 3.9-6.2 HB3 LYS 83 - HA ARG 84 far 5 54 10 - 4.1-6.1 HB3 LYS 85 - HA ARG 84 far 2 44 5 - 4.2-5.9 HB2 ARG 82 - HA ARG 84 far 0 81 0 - 4.6-8.1 HB2 ARG 82 - HA GLN 79 far 0 76 0 - 4.9-12.3 HB3 LYS 85 - HA ARG 82 far 0 63 0 - 5.0-11.9 HG2 ARG 70 - HA GLN 79 far 0 66 0 - 5.5-21.3 HB3 LYS 83 - HA GLN 79 far 0 50 0 - 6.4-14.3 HD3 LYS 13 - HA ARG 82 far 0 60 0 - 7.1-59.5 HG2 ARG 70 - HA LYS 73 far 0 49 0 - 7.3-9.1 HD3 LYS 13 - HA GLN 79 far 0 39 0 - 7.6-54.9 HB3 LYS 85 - HA GLN 79 far 0 41 0 - 8.0-20.5 HD2 LYS 13 - HA ARG 82 far 0 60 0 - 8.3-58.7 HG3 ARG 66 - HA ARG 84 far 0 81 0 - 8.5-31.8 HG3 ARG 66 - HA GLN 79 far 0 76 0 - 8.8-27.2 HD2 LYS 13 - HA GLN 79 far 0 39 0 - 9.0-54.3 HB3 LYS 13 - HA GLN 79 far 0 67 0 - 9.3-58.3 HB3 LYS 13 - HA ARG 82 far 0 94 0 - 9.8-62.7 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 15 assignments used, quality = 1.00: * HB3 ARG 82 + HA ARG 82 OK 100 100 100 100 2.3-3.0 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 ARG 84 far 0 67 0 - 4.3-5.8 HB2 LYS 83 - HA ARG 82 far 0 90 0 - 4.3-5.7 HB3 ARG 82 - HA GLN 79 far 0 76 0 - 4.3-11.3 HB3 LYS 75 - HA LYS 73 far 0 38 0 - 4.6-9.5 HB2 LYS 83 - HA GLN 79 far 0 63 0 - 5.7-14.9 HB3 ARG 82 - HA ARG 84 far 0 81 0 - 6.2-8.7 HB2 LYS 13 - HA GLN 79 far 0 48 0 - 7.7-57.2 HG3 ARG 71 - HA LYS 73 far 0 49 0 - 8.8-9.7 HB3 LYS 39 - HA GLN 79 far 0 61 0 - 9.2-32.1 HB3 LYS 75 - HA GLN 79 far 0 52 0 - 9.2-15.4 HG3 ARG 71 - HA GLN 79 far 0 66 0 - 9.3-25.4 HB3 LYS 73 - HA GLN 79 far 0 68 0 - 9.5-19.0 HB2 LYS 13 - HA ARG 82 far 0 73 0 - 9.8-61.8 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 2.3-2.8 3.0=100 HA ARG 84 - HB2 ARG 82 far 5 99 5 - 4.6-8.1 HA GLN 79 - HB2 ARG 82 far 0 83 0 - 4.9-12.3 HA ALA 78 - HB2 ARG 82 far 0 60 0 - 9.1-14.9 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 3 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 HB2 LYS 13 - HB2 ARG 82 far 0 73 0 - 9.5-61.5 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 13 assignments used, quality = 1.00: * HA ARG 82 + HB3 ARG 82 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 79 - HB3 ARG 82 far 4 83 5 - 4.3-11.3 HB THR 15 - HB3 ARG 17 far 0 66 0 - 5.0-10.2 HA LEU 29 - HB2 LYS 32 far 0 65 0 - 5.3-7.3 HA LEU 29 - HB3 LYS 32 far 0 65 0 - 5.5-7.2 HA LEU 29 - HB3 ARG 17 far 0 57 0 - 6.0-20.9 HA ARG 84 - HB3 ARG 82 far 0 99 0 - 6.2-8.7 HB THR 15 - HB3 LYS 32 far 0 75 0 - 6.2-26.3 HB THR 15 - HB2 LYS 32 far 0 75 0 - 7.7-26.7 HA ALA 78 - HB3 ARG 17 far 0 36 0 - 8.0-39.8 HA ALA 78 - HB3 ARG 82 far 0 60 0 - 8.1-13.9 HA LEU 29 - HB2 PRO 34 far 0 76 0 - 9.1-11.7 HA ALA 53 - HB2 PRO 34 far 0 81 0 - 9.8-11.8 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 19 assignments used, quality = 1.00: * HB2 ARG 82 + HB3 ARG 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 85 - HB3 ARG 82 far 0 63 0 - 4.6-12.7 HB3 LYS 13 - HB3 LYS 32 far 0 71 0 - 5.1-25.8 HD3 LYS 13 - HB3 ARG 82 far 0 60 0 - 5.2-57.9 HB3 LYS 83 - HB3 ARG 82 far 0 76 0 - 5.4-7.5 HB2 LEU 29 - HB3 ARG 17 far 0 48 0 - 5.8-20.3 HD2 LYS 13 - HB3 ARG 82 far 0 60 0 - 6.2-57.0 HB3 LYS 13 - HB2 LYS 32 far 0 71 0 - 6.7-26.8 HB2 LEU 29 - HB2 LYS 32 far 0 56 0 - 6.9-9.8 HB2 LEU 29 - HB3 LYS 32 far 0 56 0 - 7.1-9.7 HG LEU 29 - HB3 ARG 17 far 0 52 0 - 7.2-19.0 HD2 LYS 13 - HB3 LYS 32 far 0 41 0 - 7.3-24.5 HB3 LYS 13 - HB3 ARG 82 far 0 95 0 - 7.9-61.0 HG LEU 29 - HB2 LYS 32 far 0 60 0 - 8.1-9.5 HD2 LYS 13 - HB2 LYS 32 far 0 41 0 - 8.1-25.4 HD3 LYS 13 - HB3 LYS 32 far 0 41 0 - 8.3-24.3 HG LEU 29 - HB3 LYS 32 far 0 60 0 - 8.7-9.4 HB3 LEU 64 - HB2 LYS 32 far 0 80 0 - 9.1-10.8 HD3 LYS 13 - HB2 LYS 32 far 0 41 0 - 9.7-25.8 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 - 6.3-9.2 H ASP 24 - HA GLU 19 far 0 62 0 - 8.8-14.4 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 11 assignments used, quality = 1.00: * HB2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.3-3.0 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 poor 10 52 20 - 4.2-6.0 HB3 ARG 84 - HA LYS 83 far 0 81 0 - 4.7-6.5 HB3 ARG 82 - HA LYS 83 far 0 90 0 - 4.7-6.0 HB2 LYS 83 - HA LYS 85 far 0 73 0 - 4.8-8.7 HB2 LYS 85 - HA LYS 83 far 0 81 0 - 5.8-10.0 HB3 ARG 82 - HA LYS 85 far 0 60 0 - 7.0-12.1 HB ILE 33 - HA GLU 19 far 0 83 0 - 8.5-16.8 HB3 LYS 75 - HA GLU 19 far 0 90 0 - 9.1-30.2 HB3 LYS 39 - HA GLU 19 far 0 92 0 - 9.9-22.9 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 13 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 HB2 ARG 84 - HA LYS 83 poor 16 98 40 41 4.0-6.5 842/3.6=25, ~5896=10...(4) HB2 ARG 82 - HA LYS 83 poor 13 76 35 47 4.1-5.3 833/2.9=20, ~361=16...(6) HB2 ARG 84 - HA LYS 85 far 10 69 15 - 4.2-5.7 HB3 LYS 85 - HA LYS 83 far 5 100 5 - 4.1-8.8 HB3 LYS 83 - HA LYS 85 far 0 73 0 - 5.5-8.6 HB3 ARG 17 - HA GLU 19 far 0 57 0 - 5.5-8.8 HB2 ARG 82 - HA LYS 85 far 0 48 0 - 5.7-11.4 HB2 LEU 29 - HA GLU 19 far 0 92 0 - 6.5-17.8 HG3 ARG 66 - HA LYS 83 far 0 78 0 - 7.7-32.2 HG3 ARG 66 - HA LYS 85 far 0 50 0 - 9.8-33.9 HG2 ARG 70 - HA LYS 83 far 0 98 0 - 10.0-29.3 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 5 assignments used, quality = 1.00: * H LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.2-4.0 4.0=100 H LYS 83 - HB2 LYS 85 far 0 81 0 - 6.0-11.2 H GLU 19 - HB3 LYS 39 far 0 89 0 - 7.6-20.2 H ASP 24 - HB3 LYS 75 far 0 71 0 - 7.9-22.1 H GLU 19 - HB3 LYS 75 far 0 96 0 - 8.7-30.0 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 19 assignments used, quality = 1.00: * HA LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 99 99 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 92 92 100 100 2.3-2.8 3.0=100 HA LYS 85 + HB2 LYS 85 OK 70 70 100 100 2.4-3.0 3.0=100 HA LYS 75 - HB3 LYS 73 far 5 96 5 - 3.8-8.1 HA ALA 12 - HB2 LYS 13 far 0 76 0 - 4.6-6.0 HA ALA 77 - HB3 LYS 73 far 0 92 0 - 4.8-14.1 HA LYS 85 - HB2 LYS 83 far 0 93 0 - 4.8-8.7 HA THR 15 - HB2 LYS 13 far 0 87 0 - 5.3-7.0 HA ALA 20 - HB3 LYS 75 far 0 85 0 - 5.5-26.9 HA ALA 77 - HB3 LYS 75 far 0 96 0 - 5.8-8.7 HA LYS 83 - HB2 LYS 85 far 0 81 0 - 5.8-10.0 HA THR 15 - HB3 LYS 39 far 0 94 0 - 7.2-25.3 HB THR 37 - HB3 LYS 39 far 0 73 0 - 7.6-9.2 HA ALA 20 - HB3 LYS 39 far 0 77 0 - 8.4-21.6 HA LYS 39 - HB2 LYS 13 far 0 85 0 - 8.6-31.6 HA GLU 19 - HB3 LYS 75 far 0 92 0 - 9.1-30.2 HA ALA 12 - HB3 LYS 39 far 0 83 0 - 9.2-34.5 HA GLU 19 - HB3 LYS 39 far 0 84 0 - 9.9-22.9 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 15 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 82 - HB2 LYS 85 far 0 54 0 - 3.9-12.6 HB2 ARG 82 - HB2 LYS 83 far 0 76 0 - 4.0-6.4 HB2 ARG 84 - HB2 LYS 83 far 0 98 0 - 4.2-7.7 HB2 LEU 43 - HB3 LYS 39 far 0 92 0 - 4.3-5.9 HB2 ARG 84 - HB2 LYS 85 far 0 76 0 - 4.8-7.4 HB3 LYS 85 - HB2 LYS 83 far 0 100 0 - 4.8-9.7 HB3 LYS 83 - HB2 LYS 85 far 0 81 0 - 5.2-10.0 HG2 ARG 70 - HB3 LYS 73 far 0 93 0 - 6.0-8.1 HG2 ARG 70 - HB3 LYS 75 far 0 97 0 - 7.3-13.5 HB2 LEU 43 - HB3 LYS 73 far 0 94 0 - 9.0-12.7 HB2 LEU 29 - HB2 LYS 13 far 0 88 0 - 9.1-23.0 HB2 ARG 82 - HB2 LYS 13 far 0 60 0 - 9.5-61.5 HG3 ARG 66 - HB2 LYS 83 far 0 78 0 - 9.8-33.0 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 2.3-3.8 4.0=100 H LYS 83 - HB3 LYS 85 far 10 100 10 - 4.9-10.2 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 4 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 83 - HB3 LYS 85 far 5 100 5 - 4.1-8.8 HA LYS 85 - HB3 LYS 83 far 0 93 0 - 5.5-8.6 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 84 - HB3 LYS 83 far 0 81 0 - 4.1-7.8 HB3 ARG 84 - HB3 LYS 85 far 0 79 0 - 4.4-6.8 HB3 ARG 82 - HB3 LYS 85 far 0 89 0 - 4.6-12.7 HB2 LYS 83 - HB3 LYS 85 far 0 100 0 - 4.8-9.7 HB2 LYS 85 - HB3 LYS 83 far 0 81 0 - 5.2-10.0 HB3 ARG 82 - HB3 LYS 83 far 0 90 0 - 5.4-7.5 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 11 assignments used, quality = 1.00: * H ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 84 - HA ARG 82 lone 2 80 30 8 3.4-6.6 4.3/6062=7 H ALA 28 - HA LEU 29 far 0 55 0 - 5.1-5.4 H ALA 77 - HA LYS 73 far 0 58 0 - 6.0-13.6 H ARG 27 - HA LEU 29 far 0 45 0 - 6.8-7.2 H GLN 79 - HA ARG 82 far 0 65 0 - 7.7-11.8 H THR 15 - HA LEU 29 far 0 63 0 - 7.9-22.2 H GLU 25 - HA LEU 29 far 0 64 0 - 8.3-9.6 H GLN 79 - HA LYS 73 far 0 81 0 - 9.1-19.0 H SER 22 - HA LEU 29 far 0 57 0 - 9.4-13.6 H ILE 89 - HA ARG 84 far 0 68 0 - 9.7-16.2 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 13 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 29 + HA LEU 29 OK 59 59 100 100 2.6-2.9 3.0=100 HB3 LYS 83 - HA ARG 82 poor 15 76 20 - 3.9-6.2 HB3 LYS 83 - HA ARG 84 far 10 98 10 - 4.1-6.1 HB3 LYS 85 - HA ARG 84 far 5 100 5 - 4.2-5.9 HB2 ARG 84 - HA ARG 82 far 0 80 0 - 4.5-8.7 HB3 LYS 85 - HA ARG 82 far 0 79 0 - 5.0-11.9 HB3 ARG 17 - HA LEU 29 far 0 51 0 - 6.0-20.9 HG2 ARG 70 - HA LYS 73 far 0 79 0 - 7.3-9.1 HG3 ARG 26 - HA LEU 29 far 0 43 0 - 7.9-9.7 HG3 ARG 71 - HA LYS 73 far 0 63 0 - 8.8-9.7 HB3 LEU 64 - HA LEU 29 far 0 32 0 - 9.5-10.9 HB2 LEU 43 - HA LYS 73 far 0 95 0 - 9.6-11.5 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 16 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-2.7 3.0=97, 843/3.0=20...(24) HB2 LYS 73 + HA LYS 73 OK 75 75 100 100 2.3-2.9 3.0=96, 787/3.0=37...(15) HB3 LYS 73 + HA LYS 73 OK 63 63 100 100 2.8-3.0 3.0=96, 2.9/2963=33...(17) HB2 LYS 85 - HA ARG 84 far 0 100 0 - 4.1-6.6 HB2 LYS 83 - HA ARG 84 far 0 81 0 - 4.3-5.8 HB2 LYS 83 - HA ARG 82 far 0 58 0 - 4.3-5.7 HB3 LYS 75 - HA LYS 73 far 0 84 0 - 4.6-9.5 HB3 ARG 84 - HA ARG 82 far 0 80 0 - 5.2-9.3 HB2 LYS 32 - HA LEU 29 far 0 32 0 - 5.3-7.3 HB3 LYS 32 - HA LEU 29 far 0 32 0 - 5.5-7.2 HB2 LYS 85 - HA ARG 82 far 0 80 0 - 6.0-13.0 HB2 LYS 13 - HA LEU 29 far 0 56 0 - 7.1-22.5 HB2 ARG 69 - HA LYS 73 far 0 96 0 - 7.9-9.3 HB2 PRO 34 - HA LEU 29 far 0 42 0 - 9.1-11.7 HB ILE 89 - HA ARG 84 far 0 81 0 - 9.6-19.2 HB2 LYS 13 - HA ARG 82 far 0 71 0 - 9.8-61.8 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.43 A): 5 out of 19 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 99 100 100 99 2.2-4.2 3.9=68, 3402/3.0=32...(45) HG3 ARG 84 + HA ARG 84 OK 99 100 100 99 2.6-4.2 3.9=68, 3402/3.0=32...(45) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.2-2.3 3.0=100 HD3 LYS 73 + HA LYS 73 OK 40 81 50 99 2.1-4.6 2.9/2963=44, 3009=30...(52) HD2 LYS 73 + HA LYS 73 OK 32 81 40 99 2.0-4.6 2.9/2963=44, 3009=30...(52) HG2 ARG 84 - HA ARG 82 far 8 80 10 - 3.2-8.7 HG3 ARG 84 - HA ARG 82 far 4 80 5 - 3.5-8.8 HB2 LEU 86 - HA ARG 84 far 0 81 0 - 4.9-9.3 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 5.4-8.9 HG LEU 86 - HA ARG 84 far 0 100 0 - 5.5-10.1 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 6.2-8.9 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 6.4-22.4 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.1-9.9 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.1-10.0 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 7.2-22.4 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 7.6-9.5 HB3 LEU 62 - HA ARG 84 far 0 100 0 - 9.8-35.6 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 9.8-15.6 HG LEU 86 - HA ARG 82 far 0 79 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.43 A): 5 out of 19 assignments used, quality = 1.00: HG2 ARG 84 + HA ARG 84 OK 99 100 100 99 2.2-4.2 3.9=68, 3402/3.0=32...(45) * HG3 ARG 84 + HA ARG 84 OK 99 100 100 99 2.6-4.2 3.9=68, 3402/3.0=32...(45) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.2-2.3 3.0=100 HD3 LYS 73 + HA LYS 73 OK 40 81 50 99 2.1-4.6 2.9/2963=44, 3009=30...(52) HD2 LYS 73 + HA LYS 73 OK 32 81 40 99 2.0-4.6 2.9/2963=44, 3009=30...(52) HG2 ARG 84 - HA ARG 82 far 8 80 10 - 3.2-8.7 HG3 ARG 84 - HA ARG 82 far 4 80 5 - 3.5-8.8 HB2 LEU 86 - HA ARG 84 far 0 81 0 - 4.9-9.3 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 5.4-8.9 HG LEU 86 - HA ARG 84 far 0 100 0 - 5.5-10.1 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 6.2-8.9 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 6.4-22.4 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.1-9.9 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.1-10.0 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 7.2-22.4 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 7.6-9.5 HB3 LEU 62 - HA ARG 84 far 0 100 0 - 9.8-35.6 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 9.8-15.6 HG LEU 86 - HA ARG 82 far 0 79 0 - 9.9-16.1 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 2.3-3.0 3.0=100 HB THR 15 - HB3 ARG 17 poor 19 62 30 - 5.0-10.2 HA ARG 82 - HB2 ARG 84 far 10 99 10 - 4.5-8.7 HA LEU 29 - HB3 ARG 17 far 2 49 5 - 6.0-20.9 HA ALA 78 - HB3 ARG 17 far 0 53 0 - 8.0-39.8 HA GLN 79 - HB2 ARG 84 far 0 95 0 - 9.1-16.7 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 6 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 83 - HB2 ARG 84 far 0 81 0 - 4.2-7.7 HB2 LYS 85 - HB2 ARG 84 far 0 100 0 - 4.8-7.4 HB3 LYS 32 - HB3 ARG 17 far 0 39 0 - 7.8-26.4 HB2 LYS 32 - HB3 ARG 17 far 0 39 0 - 9.2-26.5 HB2 PRO 34 - HB3 ARG 17 far 0 51 0 - 9.9-27.7 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 13 assignments used, quality = 1.00: HG3 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.3-3.0 3.0=78, 3402/1.8=32...(29) * HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.4-3.0 3.0=78, 3402/1.8=32...(29) HG2 ARG 17 + HB3 ARG 17 OK 45 47 100 96 2.3-3.0 2.9=79, 1.8/1181=19...(36) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 96 2.3-3.0 2.9=79, 1.8/1181=19...(36) HB2 LEU 86 - HB2 ARG 84 far 0 81 0 - 5.0-9.1 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.1-9.9 HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 5.3-19.1 HB3 LEU 62 - HB2 ARG 84 far 0 100 0 - 7.2-37.3 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 7.4-22.9 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 7.6-26.1 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 7.7-27.5 HG LEU 62 - HB2 ARG 84 far 0 65 0 - 8.6-37.5 HD2 LYS 39 - HB3 ARG 17 far 0 71 0 - 8.8-22.5 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 13 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.3-3.0 3.0=78, 3402/1.8=32...(29) HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.4-3.0 3.0=78, 3402/1.8=32...(29) HG2 ARG 17 + HB3 ARG 17 OK 45 47 100 96 2.3-3.0 2.9=79, 1.8/1181=19...(36) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 96 2.3-3.0 2.9=79, 1.8/1181=19...(36) HB2 LEU 86 - HB2 ARG 84 far 0 81 0 - 5.0-9.1 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.1-9.9 HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 5.3-19.1 HB3 LEU 62 - HB2 ARG 84 far 0 100 0 - 7.2-37.3 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 7.4-22.9 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 7.6-26.1 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 7.7-27.5 HG LEU 62 - HB2 ARG 84 far 0 65 0 - 8.6-37.5 HD2 LYS 39 - HB3 ARG 17 far 0 71 0 - 8.8-22.5 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 2.2-4.1 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.1-3.9 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.5-4.0 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 5 100 5 - 4.5-11.2 HD3 ARG 26 - HB3 ARG 17 far 0 41 0 - 9.4-19.2 HD2 ARG 26 - HB3 ARG 17 far 0 43 0 - 9.5-20.0 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 2.2-4.2 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-4.1 3.5=100 HD2 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.1-3.9 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.5-4.0 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 5 100 5 - 4.5-11.2 HD3 ARG 26 - HB3 ARG 17 far 0 45 0 - 9.4-19.2 HD2 ARG 26 - HB3 ARG 17 far 0 47 0 - 9.5-20.0 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 8 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-2.7 3.0=100 HA ARG 82 - HB3 ARG 84 far 0 99 0 - 5.2-9.3 HA LEU 29 - HB2 LYS 32 far 0 29 0 - 5.3-7.3 HA LEU 29 - HB3 LYS 32 far 0 29 0 - 5.5-7.2 HB THR 15 - HB3 LYS 32 far 0 38 0 - 6.2-26.3 HB THR 15 - HB2 LYS 32 far 0 38 0 - 7.7-26.7 HA LEU 29 - HB2 PRO 34 far 0 44 0 - 9.1-11.7 HA ALA 53 - HB2 PRO 34 far 0 49 0 - 9.8-11.8 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 10 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 - 4.1-7.8 HB3 LYS 85 - HB3 ARG 84 far 0 100 0 - 4.4-6.8 HB2 LEU 29 - HB2 LYS 32 far 0 45 0 - 6.9-9.8 HB2 LEU 29 - HB3 LYS 32 far 0 45 0 - 7.1-9.7 HB3 ARG 17 - HB3 LYS 32 far 0 38 0 - 7.8-26.4 HB2 LEU 62 - HB3 ARG 84 far 0 83 0 - 8.6-39.1 HB3 LEU 64 - HB2 LYS 32 far 0 23 0 - 9.1-10.8 HB3 ARG 17 - HB2 LYS 32 far 0 38 0 - 9.2-26.5 HB3 ARG 17 - HB2 PRO 34 far 0 56 0 - 9.9-27.7 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 24 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3394=35...(38) HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=95, 1.8/3394=35...(38) HD2 LYS 32 + HB2 LYS 32 OK 36 38 100 96 2.1-3.6 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB3 LYS 32 OK 34 36 100 96 2.0-3.5 3.5=58, ~1558=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 31 38 85 95 2.0-3.9 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB2 LYS 32 OK 27 36 80 95 2.1-4.1 3.5=58, ~1558=12...(48) HG LEU 86 - HB3 ARG 84 far 5 100 5 - 3.4-11.3 HB2 LEU 86 - HB3 ARG 84 far 4 81 5 - 3.3-10.0 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 100 0 - 7.3-37.6 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 7.3-9.2 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 7.5-8.8 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 7.5-11.4 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 7.5-10.8 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 8.6-28.0 HG LEU 62 - HB3 ARG 84 far 0 65 0 - 8.7-37.7 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 8.8-11.9 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 8.8-12.4 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 24 assignments used, quality = 1.00: HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3394=35...(38) * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=95, 1.8/3394=35...(38) HD2 LYS 32 + HB2 LYS 32 OK 36 38 100 96 2.1-3.6 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB3 LYS 32 OK 34 36 100 96 2.0-3.5 3.5=58, ~1558=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 31 38 85 95 2.0-3.9 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB2 LYS 32 OK 27 36 80 95 2.1-4.1 3.5=58, ~1558=12...(48) HG LEU 86 - HB3 ARG 84 far 5 100 5 - 3.4-11.3 HB2 LEU 86 - HB3 ARG 84 far 4 81 5 - 3.3-10.0 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 6.6-27.9 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 7.2-10.9 HB3 LEU 62 - HB3 ARG 84 far 0 100 0 - 7.3-37.6 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 7.3-9.2 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 7.5-8.8 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 7.5-11.4 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 7.5-10.8 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 7.7-11.9 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 7.8-27.8 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.9-28.7 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 8.0-29.3 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.3-28.0 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 8.6-28.0 HG LEU 62 - HB3 ARG 84 far 0 65 0 - 8.7-37.7 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 8.8-11.9 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 8.8-12.4 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 10 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.9 3.5=100 HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.9 3.5=100 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 5.0-11.6 HD3 ARG 17 - HB3 LYS 32 far 0 42 0 - 6.4-28.8 HD2 ARG 17 - HB3 LYS 32 far 0 42 0 - 7.9-29.8 HD3 ARG 17 - HB2 LYS 32 far 0 42 0 - 7.9-28.9 HD3 ARG 17 - HB2 PRO 34 far 0 62 0 - 9.1-29.6 HD2 ARG 17 - HB2 LYS 32 far 0 42 0 - 9.3-30.0 HD3 ARG 27 - HB2 LYS 32 far 0 32 0 - 9.8-13.0 HD2 ARG 17 - HB2 PRO 34 far 0 62 0 - 9.9-30.7 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 10 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.9 3.5=100 HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 5.0-11.6 HD3 ARG 17 - HB3 LYS 32 far 0 44 0 - 6.4-28.8 HD2 ARG 17 - HB3 LYS 32 far 0 44 0 - 7.9-29.8 HD3 ARG 17 - HB2 LYS 32 far 0 44 0 - 7.9-28.9 HD3 ARG 17 - HB2 PRO 34 far 0 64 0 - 9.1-29.6 HD2 ARG 17 - HB2 LYS 32 far 0 44 0 - 9.3-30.0 HD3 ARG 27 - HB2 LYS 32 far 0 34 0 - 9.8-13.0 HD2 ARG 17 - HB2 PRO 34 far 0 64 0 - 9.9-30.7 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.92 A): 3 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 2.6-4.2 3.9=100 HA ALA 53 + HG3 ARG 54 OK 20 59 35 98 5.2-6.4 3.6/679=46, ~5949=42...(9) HA ARG 82 - HG2 ARG 84 poor 20 99 20 - 3.2-8.7 HA ARG 82 - HG3 ARG 84 poor 20 99 20 - 3.5-8.8 HB THR 15 - HG2 ARG 17 poor 9 46 20 - 4.7-9.9 HB THR 15 - HG3 ARG 17 poor 9 44 20 - 4.7-9.3 HA ARG 84 - HG LEU 86 far 4 71 5 - 5.5-10.1 HA GLN 79 - HG3 ARG 70 far 3 64 5 - 4.4-19.9 HA ALA 53 - HG LEU 62 far 3 27 10 - 5.6-8.5 HA ALA 78 - HG3 ARG 70 far 0 50 0 - 6.2-18.5 HA LEU 29 - HG3 ARG 17 far 0 34 0 - 6.4-22.4 HA ILE 89 - HG LEU 86 far 0 60 0 - 6.9-13.2 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.1-10.0 HA LEU 29 - HG2 ARG 17 far 0 36 0 - 7.2-22.4 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 7.6-9.5 HA ALA 78 - HG3 ARG 17 far 0 37 0 - 8.3-40.3 HA GLN 79 - HG3 ARG 84 far 0 95 0 - 9.4-16.0 HA ILE 89 - HG3 ARG 54 far 0 69 0 - 9.4-58.3 HA ALA 78 - HG2 ARG 17 far 0 39 0 - 9.4-42.0 HA GLN 79 - HG2 ARG 84 far 0 95 0 - 9.6-15.8 HA ARG 82 - HG LEU 86 far 0 67 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3393 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 7 out of 24 assignments used, quality = 1.00: HB2 ARG 84 + HG3 ARG 84 OK 90 100 100 90 2.3-3.0 3.0=59, 3379/1.8=18...(28) * HB2 ARG 84 + HG2 ARG 84 OK 90 100 100 90 2.4-3.0 3.0=59, 3379/1.8=18...(28) HG2 ARG 70 + HG3 ARG 70 OK 57 57 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG2 ARG 17 OK 41 46 100 90 2.3-3.0 2.9=59, 1167/1.8=17...(29) HB3 ARG 17 + HG3 ARG 17 OK 40 44 100 90 2.3-3.0 2.9=59, 1167/1.8=17...(29) HG3 ARG 26 + HG2 ARG 26 OK 36 36 100 100 1.8-1.8 1.8=100 HB2 LEU 62 + HG LEU 62 OK 25 28 100 91 2.7-2.9 3.0=57, 2601/2.1=15...(20) HB3 LYS 83 - HG2 ARG 84 far 5 98 5 - 3.2-7.6 HB3 LYS 83 - HG3 ARG 84 far 5 98 5 - 3.3-7.6 HG3 ARG 71 - HG3 ARG 70 far 4 44 10 - 2.4-7.6 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 4.7-8.0 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-9.9 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.4-7.6 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.6-8.5 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 5.8-21.8 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 5.8-8.3 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 5.8-21.7 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 7.3-13.7 HB2 LEU 62 - HG LEU 86 far 0 52 0 - 7.6-43.6 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 7.9-18.4 HB2 ARG 84 - HG LEU 62 far 0 40 0 - 8.6-37.5 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 9.0-18.4 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.8-12.4 HB3 LEU 64 - HG3 ARG 70 far 0 37 0 - 9.8-13.9 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 30 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 98 100 100 98 2.3-3.0 3.0=81, 1.8/3380=23...(34) HB3 ARG 84 + HG3 ARG 84 OK 98 100 100 98 2.5-3.0 3.0=81, 1.8/3380=23...(34) HB2 LYS 83 - HG3 ARG 84 far 4 81 5 - 2.2-7.7 HB3 ARG 84 - HG LEU 86 far 4 71 5 - 3.4-11.3 HB2 LYS 83 - HG2 ARG 84 far 0 81 0 - 3.8-7.1 HB2 ARG 69 - HG3 ARG 70 far 0 73 0 - 4.2-7.9 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 4.3-8.4 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 5.0-8.6 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.2-8.5 HB2 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 6.2-14.6 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 6.3-14.2 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 6.5-8.4 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 6.6-27.9 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 7.1-16.4 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 7.8-27.8 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.9-28.7 HB ILE 89 - HG LEU 86 far 0 50 0 - 8.0-14.1 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 8.0-29.3 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.1-15.2 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.3-28.0 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 8.6-28.0 HB3 ARG 84 - HG LEU 62 far 0 40 0 - 8.7-37.7 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 8.7-10.4 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 8.8-12.4 HB3 LYS 39 - HG3 ARG 54 far 0 60 0 - 9.3-13.9 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.6-23.0 HB ILE 89 - HG LEU 62 far 0 27 0 - 9.8-51.0 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.9-22.6 HB ILE 89 - HG3 ARG 54 far 0 59 0 - 10.0-60.7 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 34 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 15 100 15 - 3.1-10.4 HD2 ARG 82 - HG3 ARG 84 far 5 100 5 - 3.5-10.8 HD3 ARG 84 - HG LEU 86 far 4 71 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 4 71 5 - 3.8-11.9 HD2 ARG 71 - HG3 ARG 70 far 4 70 5 - 2.6-9.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 4.5-10.5 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.6-9.8 HD3 ARG 27 - HG2 ARG 26 far 0 36 0 - 5.9-10.4 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 6.5-9.5 HD3 ARG 84 - HG LEU 62 far 0 40 0 - 7.4-37.6 HD2 ARG 84 - HG LEU 62 far 0 40 0 - 7.9-37.4 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 8.2-19.7 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 9.3-20.9 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 9.3-14.4 HB2 PHE 48 - HG LEU 62 far 0 25 0 - 9.4-10.8 HD3 ARG 84 - HG3 ARG 54 far 0 81 0 - 9.5-45.5 HD2 ARG 27 - HG3 ARG 70 far 0 50 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 57 0 - 9.5-18.3 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.6-11.7 HB2 PHE 48 - HG3 ARG 84 far 0 76 0 - 9.8-36.6 HD2 ARG 71 - HG2 ARG 26 far 0 52 0 - 9.8-17.2 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 34 assignments used, quality = 1.00: * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 15 100 15 - 3.1-10.4 HD2 ARG 82 - HG3 ARG 84 far 5 100 5 - 3.5-10.8 HD3 ARG 84 - HG LEU 86 far 4 71 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 4 71 5 - 3.8-11.9 HD2 ARG 71 - HG3 ARG 70 far 3 69 5 - 2.6-9.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 4.5-10.5 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.6-9.8 HD3 ARG 27 - HG2 ARG 26 far 0 39 0 - 5.9-10.4 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 6.5-9.5 HD3 ARG 84 - HG LEU 62 far 0 40 0 - 7.4-37.6 HD2 ARG 84 - HG LEU 62 far 0 40 0 - 7.9-37.4 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 8.2-19.7 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 9.3-20.9 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 9.3-14.4 HB2 PHE 48 - HG LEU 62 far 0 23 0 - 9.4-10.8 HD3 ARG 84 - HG3 ARG 54 far 0 81 0 - 9.5-45.5 HD2 ARG 27 - HG3 ARG 70 far 0 53 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 60 0 - 9.5-18.3 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.6-11.7 HB2 PHE 48 - HG3 ARG 84 far 0 71 0 - 9.8-36.6 HD2 ARG 71 - HG2 ARG 26 far 0 51 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.92 A): 3 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 2.6-4.2 3.9=100 HA ALA 53 + HG3 ARG 54 OK 20 59 35 98 5.2-6.4 3.6/679=46, ~5949=42...(9) HA ARG 82 - HG2 ARG 84 poor 20 99 20 - 3.2-8.7 HA ARG 82 - HG3 ARG 84 poor 20 99 20 - 3.5-8.8 HB THR 15 - HG2 ARG 17 poor 9 46 20 - 4.7-9.9 HB THR 15 - HG3 ARG 17 poor 9 44 20 - 4.7-9.3 HA ARG 84 - HG LEU 86 far 4 71 5 - 5.5-10.1 HA GLN 79 - HG3 ARG 70 far 3 64 5 - 4.4-19.9 HA ALA 53 - HG LEU 62 far 3 27 10 - 5.6-8.5 HA ALA 78 - HG3 ARG 70 far 0 50 0 - 6.2-18.5 HA LEU 29 - HG3 ARG 17 far 0 34 0 - 6.4-22.4 HA ILE 89 - HG LEU 86 far 0 60 0 - 6.9-13.2 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.1-10.0 HA LEU 29 - HG2 ARG 17 far 0 36 0 - 7.2-22.4 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 7.6-9.5 HA ALA 78 - HG3 ARG 17 far 0 37 0 - 8.3-40.3 HA GLN 79 - HG3 ARG 84 far 0 95 0 - 9.4-16.0 HA ILE 89 - HG3 ARG 54 far 0 69 0 - 9.4-58.3 HA ALA 78 - HG2 ARG 17 far 0 39 0 - 9.4-42.0 HA GLN 79 - HG2 ARG 84 far 0 95 0 - 9.6-15.8 HA ARG 82 - HG LEU 86 far 0 67 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3401 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 7 out of 24 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 90 100 100 90 2.3-3.0 3.0=59, 3379/1.8=18...(28) HB2 ARG 84 + HG2 ARG 84 OK 90 100 100 90 2.4-3.0 3.0=59, 3379/1.8=18...(28) HG2 ARG 70 + HG3 ARG 70 OK 57 57 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG2 ARG 17 OK 41 46 100 90 2.3-3.0 2.9=59, 1167/1.8=17...(29) HB3 ARG 17 + HG3 ARG 17 OK 40 44 100 90 2.3-3.0 2.9=59, 1167/1.8=17...(29) HG3 ARG 26 + HG2 ARG 26 OK 36 36 100 100 1.8-1.8 1.8=100 HB2 LEU 62 + HG LEU 62 OK 25 28 100 91 2.7-2.9 3.0=57, 2601/2.1=15...(20) HB3 LYS 83 - HG2 ARG 84 far 5 98 5 - 3.2-7.6 HB3 LYS 83 - HG3 ARG 84 far 5 98 5 - 3.3-7.6 HG3 ARG 71 - HG3 ARG 70 far 4 44 10 - 2.4-7.6 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 4.7-8.0 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-9.9 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.4-7.6 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.6-8.5 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 5.8-21.8 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 5.8-8.3 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 5.8-21.7 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 7.3-13.7 HB2 LEU 62 - HG LEU 86 far 0 52 0 - 7.6-43.6 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 7.9-18.4 HB2 ARG 84 - HG LEU 62 far 0 40 0 - 8.6-37.5 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 9.0-18.4 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.8-12.4 HB3 LEU 64 - HG3 ARG 70 far 0 37 0 - 9.8-13.9 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 30 assignments used, quality = 1.00: HB3 ARG 84 + HG2 ARG 84 OK 98 100 100 98 2.3-3.0 3.0=81, 1.8/3380=23...(34) * HB3 ARG 84 + HG3 ARG 84 OK 98 100 100 98 2.5-3.0 3.0=81, 1.8/3380=23...(34) HB2 LYS 83 - HG3 ARG 84 far 4 81 5 - 2.2-7.7 HB3 ARG 84 - HG LEU 86 far 4 71 5 - 3.4-11.3 HB2 LYS 83 - HG2 ARG 84 far 0 81 0 - 3.8-7.1 HB2 ARG 69 - HG3 ARG 70 far 0 73 0 - 4.2-7.9 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 4.3-8.4 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 5.0-8.6 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.2-8.5 HB2 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 6.2-14.6 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 6.3-14.2 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 6.5-8.4 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 6.6-27.9 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 7.1-16.4 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 7.8-27.8 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.9-28.7 HB ILE 89 - HG LEU 86 far 0 50 0 - 8.0-14.1 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 8.0-29.3 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.1-15.2 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.3-28.0 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 8.6-28.0 HB3 ARG 84 - HG LEU 62 far 0 40 0 - 8.7-37.7 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 8.7-10.4 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 8.8-12.4 HB3 LYS 39 - HG3 ARG 54 far 0 60 0 - 9.3-13.9 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.6-23.0 HB ILE 89 - HG LEU 62 far 0 27 0 - 9.8-51.0 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.9-22.6 HB ILE 89 - HG3 ARG 54 far 0 59 0 - 10.0-60.7 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 34 assignments used, quality = 1.00: * HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 15 100 15 - 3.1-10.4 HD2 ARG 82 - HG3 ARG 84 far 5 100 5 - 3.5-10.8 HD3 ARG 84 - HG LEU 86 far 4 71 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 4 71 5 - 3.8-11.9 HD2 ARG 71 - HG3 ARG 70 far 4 70 5 - 2.6-9.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 4.5-10.5 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.6-9.8 HD3 ARG 27 - HG2 ARG 26 far 0 36 0 - 5.9-10.4 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 6.5-9.5 HD3 ARG 84 - HG LEU 62 far 0 40 0 - 7.4-37.6 HD2 ARG 84 - HG LEU 62 far 0 40 0 - 7.9-37.4 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 8.2-19.7 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 9.3-20.9 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 9.3-14.4 HB2 PHE 48 - HG LEU 62 far 0 25 0 - 9.4-10.8 HD3 ARG 84 - HG3 ARG 54 far 0 81 0 - 9.5-45.5 HD2 ARG 27 - HG3 ARG 70 far 0 50 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 57 0 - 9.5-18.3 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.6-11.7 HB2 PHE 48 - HG3 ARG 84 far 0 76 0 - 9.8-36.6 HD2 ARG 71 - HG2 ARG 26 far 0 52 0 - 9.8-17.2 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 34 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD2 ARG 82 - HG2 ARG 84 far 15 100 15 - 3.1-10.4 HD2 ARG 82 - HG3 ARG 84 far 5 100 5 - 3.5-10.8 HD3 ARG 84 - HG LEU 86 far 4 71 5 - 2.2-12.3 HD2 ARG 84 - HG LEU 86 far 4 71 5 - 3.8-11.9 HD2 ARG 71 - HG3 ARG 70 far 3 69 5 - 2.6-9.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 4.5-10.5 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.6-9.8 HD3 ARG 27 - HG2 ARG 26 far 0 39 0 - 5.9-10.4 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 6.5-9.5 HD3 ARG 84 - HG LEU 62 far 0 40 0 - 7.4-37.6 HD2 ARG 84 - HG LEU 62 far 0 40 0 - 7.9-37.4 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 8.1-21.1 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 8.2-19.7 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.1-18.0 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 9.1-20.4 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 9.3-20.9 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 9.3-14.4 HB2 PHE 48 - HG LEU 62 far 0 23 0 - 9.4-10.8 HD3 ARG 84 - HG3 ARG 54 far 0 81 0 - 9.5-45.5 HD2 ARG 27 - HG3 ARG 70 far 0 53 0 - 9.5-16.9 HD3 ARG 23 - HG3 ARG 70 far 0 60 0 - 9.5-18.3 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.6-11.7 HB2 PHE 48 - HG3 ARG 84 far 0 71 0 - 9.8-36.6 HD2 ARG 71 - HG2 ARG 26 far 0 51 0 - 9.8-17.2 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 44 assignments used, quality = 1.00: * HB2 ARG 84 + HD2 ARG 84 OK 92 100 95 96 2.2-4.1 3.5=63, 1.8/3410=34...(24) HB3 ARG 17 + HD2 ARG 17 OK 76 80 100 95 2.1-3.9 3.6=59, 1.8/1161=20...(35) HB3 ARG 17 + HD3 ARG 17 OK 73 80 95 96 2.5-4.0 3.6=59, 1.8/1160=20...(35) HB2 ARG 84 + HD3 ARG 84 OK 72 100 75 96 2.2-4.2 3.5=63, 1.8/3410=34...(24) HG3 ARG 71 + HD2 ARG 71 OK 68 68 100 100 2.4-3.0 3.0=100 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 LYS 83 - HD2 ARG 84 far 10 98 10 - 2.1-9.3 HB3 LYS 83 - HD3 ARG 84 far 5 98 5 - 2.4-9.1 HG2 ARG 70 - HD2 ARG 71 far 4 84 5 - 2.4-8.6 HB3 LEU 64 - HD3 ARG 27 far 4 40 10 - 3.2-8.1 HG3 ARG 26 - HD2 ARG 23 far 3 62 5 - 3.6-9.6 HB3 LEU 64 - HD2 ARG 27 far 2 40 5 - 2.8-7.0 HG3 ARG 26 - HD3 ARG 23 far 0 62 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.5-11.2 HB3 LYS 83 - HD2 ARG 82 far 0 95 0 - 5.0-10.3 HG3 ARG 26 - HD3 ARG 27 far 0 54 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 5.1-14.6 HB2 LEU 29 - HD3 ARG 26 far 0 58 0 - 5.4-8.6 HB3 LYS 85 - HD2 ARG 84 far 0 100 0 - 5.5-9.2 HB2 LEU 29 - HD2 ARG 17 far 0 90 0 - 5.5-23.8 HB2 LEU 29 - HD3 ARG 17 far 0 90 0 - 5.6-22.9 HB3 LYS 85 - HD3 ARG 84 far 0 100 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 54 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 48 0 - 5.9-12.2 HB2 LEU 29 - HD2 ARG 26 far 0 61 0 - 6.0-8.7 HG3 ARG 71 - HD2 ARG 23 far 0 55 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 48 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 55 0 - 7.1-14.4 HB2 LEU 29 - HD3 ARG 27 far 0 73 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 73 0 - 7.7-10.9 HB2 LEU 62 - HD3 ARG 84 far 0 83 0 - 8.3-38.9 HG2 ARG 70 - HD2 ARG 27 far 0 62 0 - 8.4-16.3 HB2 LEU 62 - HD2 ARG 84 far 0 83 0 - 8.8-38.7 HG3 ARG 26 - HD2 ARG 71 far 0 76 0 - 9.2-16.1 HG2 ARG 70 - HD3 ARG 27 far 0 62 0 - 9.2-17.1 HG2 ARG 70 - HD3 ARG 23 far 0 70 0 - 9.2-17.6 HB3 LEU 64 - HD2 ARG 71 far 0 58 0 - 9.3-12.1 HB3 ARG 17 - HD3 ARG 26 far 0 50 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 52 0 - 9.5-20.0 HB3 LEU 64 - HD2 ARG 26 far 0 32 0 - 9.5-14.6 HB3 LEU 64 - HD2 ARG 23 far 0 46 0 - 9.6-16.2 HG2 ARG 70 - HD2 ARG 23 far 0 70 0 - 9.6-18.3 HG3 ARG 26 - HD3 ARG 17 far 0 69 0 - 10.0-19.0 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.03 A): 2 out of 26 assignments used, quality = 1.00: HB3 ARG 84 + HD3 ARG 84 OK 97 100 100 97 2.1-3.9 3.5=64, 3402/2.9=27...(40) * HB3 ARG 84 + HD2 ARG 84 OK 97 100 100 97 2.3-3.9 3.5=64, 3402/2.9=27...(40) HB2 LYS 83 - HD2 ARG 84 far 8 81 10 - 3.5-9.0 HB2 LYS 83 - HD3 ARG 84 far 4 80 5 - 3.9-8.7 HB3 LYS 75 - HD2 ARG 71 far 0 89 0 - 4.5-14.7 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 4.8-16.0 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-11.6 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 5.3-9.1 HB2 LYS 85 - HD3 ARG 84 far 0 100 0 - 5.9-9.5 HB2 LYS 85 - HD2 ARG 84 far 0 100 0 - 6.0-9.8 HB3 LYS 32 - HD3 ARG 17 far 0 52 0 - 6.4-28.8 HB2 LYS 13 - HD3 ARG 17 far 0 86 0 - 7.0-15.5 HB2 LYS 73 - HD2 ARG 71 far 0 80 0 - 7.4-10.1 HB2 ARG 69 - HD2 ARG 71 far 0 99 0 - 7.9-10.6 HB3 LYS 32 - HD2 ARG 17 far 0 52 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 52 0 - 7.9-28.9 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 8.1-10.6 HB2 LYS 13 - HD2 ARG 17 far 0 86 0 - 8.2-14.8 HB3 LYS 39 - HD3 ARG 17 far 0 74 0 - 8.6-24.1 HB3 LYS 75 - HD2 ARG 23 far 0 75 0 - 8.9-24.8 HB2 PRO 34 - HD3 ARG 17 far 0 67 0 - 9.1-29.6 HB2 LYS 32 - HD2 ARG 17 far 0 52 0 - 9.3-30.0 HB3 LYS 39 - HD2 ARG 17 far 0 74 0 - 9.4-24.6 HB3 LYS 75 - HD3 ARG 23 far 0 75 0 - 9.5-24.6 HB2 LYS 32 - HD3 ARG 27 far 0 40 0 - 9.8-13.0 HB2 PRO 34 - HD2 ARG 17 far 0 67 0 - 9.9-30.7 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 56 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3410=21...(20) * HG2 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3410=21...(20) HG2 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3410=21...(20) HG3 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3410=21...(20) HG2 ARG 71 + HD2 ARG 71 OK 62 66 100 94 2.4-3.0 3.0=87, 3.8/2937=22...(21) HG2 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.4-3.0 3.0=88, 2.9/1161=13...(32) HG3 ARG 17 + HD3 ARG 17 OK 58 60 100 96 2.4-3.0 3.0=88, 2.9/1161=13...(36) HG3 ARG 17 + HD2 ARG 17 OK 57 60 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(32) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 95 2.3-3.0 3.0=90, 529/6.1=6...(25) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 529/6.1=6...(23) HG2 ARG 84 - HD2 ARG 82 far 10 98 10 - 3.1-10.4 HG LEU 86 - HD3 ARG 84 far 5 100 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.5-10.8 HG3 ARG 70 - HD2 ARG 71 far 4 82 5 - 2.6-9.1 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 3.8-11.9 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 4.5-10.5 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 4.8-11.8 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.3-22.6 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 5.6-9.8 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 5.6-21.7 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 5.8-24.1 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.8-9.5 HG2 ARG 26 - HD3 ARG 27 far 0 42 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 81 0 - 6.0-11.1 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 6.4-30.8 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 6.4-25.5 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 6.5-9.5 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 6.7-9.9 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 7.0-29.3 HB3 LEU 62 - HD3 ARG 84 far 0 100 0 - 7.0-37.4 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 7.2-14.2 HB3 LEU 62 - HD2 ARG 84 far 0 100 0 - 7.3-37.2 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 7.3-12.5 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 7.3-23.6 HG LEU 62 - HD3 ARG 84 far 0 65 0 - 7.4-37.6 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 7.6-29.9 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 7.8-24.9 HG LEU 62 - HD2 ARG 84 far 0 65 0 - 7.9-37.4 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 8.2-19.7 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.6-11.0 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 8.6-11.6 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 9.3-20.9 HG3 ARG 54 - HD3 ARG 84 far 0 88 0 - 9.5-45.5 HG3 ARG 70 - HD2 ARG 27 far 0 60 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 37 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 60 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.9-13.1 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 56 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3410=21...(20) HG2 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3410=21...(20) HG2 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3410=21...(20) HG3 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3410=21...(20) HG2 ARG 71 + HD2 ARG 71 OK 62 66 100 94 2.4-3.0 3.0=87, 3.8/2937=22...(21) HG2 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.4-3.0 3.0=88, 2.9/1161=13...(32) HG3 ARG 17 + HD3 ARG 17 OK 58 60 100 96 2.4-3.0 3.0=88, 2.9/1161=13...(36) HG3 ARG 17 + HD2 ARG 17 OK 57 60 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(32) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 95 2.3-3.0 3.0=90, 529/6.1=6...(25) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 529/6.1=6...(23) HG2 ARG 84 - HD2 ARG 82 far 10 98 10 - 3.1-10.4 HG LEU 86 - HD3 ARG 84 far 5 100 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.5-10.8 HG3 ARG 70 - HD2 ARG 71 far 4 82 5 - 2.6-9.1 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 3.8-11.9 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 4.5-10.5 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 4.8-11.8 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.3-22.6 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 5.6-9.8 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 5.6-21.7 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 5.8-24.1 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.8-9.5 HG2 ARG 26 - HD3 ARG 27 far 0 42 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 81 0 - 6.0-11.1 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 6.4-30.8 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 6.4-25.5 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 6.5-9.5 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 6.7-9.9 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 7.0-29.3 HB3 LEU 62 - HD3 ARG 84 far 0 100 0 - 7.0-37.4 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 7.2-14.2 HB3 LEU 62 - HD2 ARG 84 far 0 100 0 - 7.3-37.2 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 7.3-12.5 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 7.3-23.6 HG LEU 62 - HD3 ARG 84 far 0 65 0 - 7.4-37.6 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 7.6-29.9 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 7.8-24.9 HG LEU 62 - HD2 ARG 84 far 0 65 0 - 7.9-37.4 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 8.2-19.7 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.6-11.0 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 8.6-11.6 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 9.3-20.9 HG3 ARG 54 - HD3 ARG 84 far 0 88 0 - 9.5-45.5 HG3 ARG 70 - HD2 ARG 27 far 0 60 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 37 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 60 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.9-13.1 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 44 assignments used, quality = 1.00: HB2 ARG 84 + HD2 ARG 84 OK 92 100 95 96 2.2-4.1 3.5=63, 1.8/3418=34...(24) HB3 ARG 17 + HD2 ARG 17 OK 79 82 100 95 2.1-3.9 3.6=59, 1.8/1161=21...(35) HB3 ARG 17 + HD3 ARG 17 OK 75 82 95 96 2.5-4.0 3.6=59, 1.8/1160=21...(35) * HB2 ARG 84 + HD3 ARG 84 OK 72 100 75 96 2.2-4.2 3.5=63, 1.8/3418=34...(24) HG3 ARG 71 + HD2 ARG 71 OK 67 67 100 100 2.4-3.0 3.0=100 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 LYS 83 - HD2 ARG 84 far 10 98 10 - 2.1-9.3 HB3 LYS 83 - HD3 ARG 84 far 5 98 5 - 2.4-9.1 HB3 LEU 64 - HD3 ARG 27 far 4 43 10 - 3.2-8.1 HG2 ARG 70 - HD2 ARG 71 far 4 83 5 - 2.4-8.6 HG3 ARG 26 - HD2 ARG 23 far 3 65 5 - 3.6-9.6 HB3 LEU 64 - HD2 ARG 27 far 2 43 5 - 2.8-7.0 HG3 ARG 26 - HD3 ARG 23 far 0 65 0 - 4.2-9.5 HB2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.5-11.2 HB3 LYS 83 - HD2 ARG 82 far 0 95 0 - 5.0-10.3 HG3 ARG 26 - HD3 ARG 27 far 0 58 0 - 5.1-9.8 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 5.1-14.6 HB2 LEU 29 - HD3 ARG 26 far 0 63 0 - 5.4-8.6 HB3 LYS 85 - HD2 ARG 84 far 0 100 0 - 5.5-9.2 HB2 LEU 29 - HD2 ARG 17 far 0 92 0 - 5.5-23.8 HB2 LEU 29 - HD3 ARG 17 far 0 92 0 - 5.6-22.9 HB3 LYS 85 - HD3 ARG 84 far 0 100 0 - 5.8-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 58 0 - 5.8-9.1 HG3 ARG 71 - HD2 ARG 27 far 0 52 0 - 5.9-12.2 HB2 LEU 29 - HD2 ARG 26 far 0 66 0 - 6.0-8.7 HG3 ARG 71 - HD2 ARG 23 far 0 58 0 - 6.7-15.8 HG3 ARG 71 - HD3 ARG 27 far 0 52 0 - 7.1-12.7 HG3 ARG 71 - HD3 ARG 23 far 0 58 0 - 7.1-14.4 HB2 LEU 29 - HD3 ARG 27 far 0 77 0 - 7.6-11.3 HB2 LEU 29 - HD2 ARG 27 far 0 77 0 - 7.7-10.9 HB2 LEU 62 - HD3 ARG 84 far 0 83 0 - 8.3-38.9 HG2 ARG 70 - HD2 ARG 27 far 0 66 0 - 8.4-16.3 HB2 LEU 62 - HD2 ARG 84 far 0 83 0 - 8.8-38.7 HG3 ARG 26 - HD2 ARG 71 far 0 74 0 - 9.2-16.1 HG2 ARG 70 - HD3 ARG 27 far 0 66 0 - 9.2-17.1 HG2 ARG 70 - HD3 ARG 23 far 0 73 0 - 9.2-17.6 HB3 LEU 64 - HD2 ARG 71 far 0 56 0 - 9.3-12.1 HB3 ARG 17 - HD3 ARG 26 far 0 54 0 - 9.4-19.2 HB3 ARG 17 - HD2 ARG 26 far 0 57 0 - 9.5-20.0 HB3 LEU 64 - HD2 ARG 26 far 0 35 0 - 9.5-14.6 HB3 LEU 64 - HD2 ARG 23 far 0 49 0 - 9.6-16.2 HG2 ARG 70 - HD2 ARG 23 far 0 73 0 - 9.6-18.3 HG3 ARG 26 - HD3 ARG 17 far 0 72 0 - 10.0-19.0 Violated in 0 structures by 0.00 A. Peak 3418 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.03 A): 2 out of 26 assignments used, quality = 1.00: * HB3 ARG 84 + HD3 ARG 84 OK 97 100 100 97 2.1-3.9 3.5=64, 3402/2.9=27...(40) HB3 ARG 84 + HD2 ARG 84 OK 97 100 100 97 2.3-3.9 3.5=64, 3402/2.9=27...(40) HB2 LYS 83 - HD2 ARG 84 far 8 80 10 - 3.5-9.0 HB2 LYS 83 - HD3 ARG 84 far 4 81 5 - 3.9-8.7 HB3 LYS 75 - HD2 ARG 71 far 0 88 0 - 4.5-14.7 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 4.8-16.0 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-11.6 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 5.3-9.1 HB2 LYS 85 - HD3 ARG 84 far 0 100 0 - 5.9-9.5 HB2 LYS 85 - HD2 ARG 84 far 0 100 0 - 6.0-9.8 HB3 LYS 32 - HD3 ARG 17 far 0 54 0 - 6.4-28.8 HB2 LYS 13 - HD3 ARG 17 far 0 89 0 - 7.0-15.5 HB2 LYS 73 - HD2 ARG 71 far 0 78 0 - 7.4-10.1 HB2 ARG 69 - HD2 ARG 71 far 0 98 0 - 7.9-10.6 HB3 LYS 32 - HD2 ARG 17 far 0 54 0 - 7.9-29.8 HB2 LYS 32 - HD3 ARG 17 far 0 54 0 - 7.9-28.9 HB3 LYS 73 - HD2 ARG 71 far 0 67 0 - 8.1-10.6 HB2 LYS 13 - HD2 ARG 17 far 0 89 0 - 8.2-14.8 HB3 LYS 39 - HD3 ARG 17 far 0 76 0 - 8.6-24.1 HB3 LYS 75 - HD2 ARG 23 far 0 78 0 - 8.9-24.8 HB2 PRO 34 - HD3 ARG 17 far 0 70 0 - 9.1-29.6 HB2 LYS 32 - HD2 ARG 17 far 0 54 0 - 9.3-30.0 HB3 LYS 39 - HD2 ARG 17 far 0 76 0 - 9.4-24.6 HB3 LYS 75 - HD3 ARG 23 far 0 78 0 - 9.5-24.6 HB2 LYS 32 - HD3 ARG 27 far 0 43 0 - 9.8-13.0 HB2 PRO 34 - HD2 ARG 17 far 0 70 0 - 9.9-30.7 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 56 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3418=21...(20) HG3 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3418=21...(20) HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3418=21...(20) HG2 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3418=21...(20) HG2 ARG 17 + HD3 ARG 17 OK 62 65 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 62 65 100 96 2.4-3.0 3.0=88, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 60 64 100 94 2.4-3.0 3.0=87, 3.8/2937=22...(21) HG3 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.4-3.0 3.0=88, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.3-3.0 3.0=90, 529/6.1=6...(25) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 529/6.1=6...(23) HG2 ARG 84 - HD2 ARG 82 far 10 98 10 - 3.1-10.4 HG LEU 86 - HD3 ARG 84 far 5 100 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.5-10.8 HG3 ARG 70 - HD2 ARG 71 far 4 81 5 - 2.6-9.1 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 3.8-11.9 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 4.5-10.5 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 4.8-11.8 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.3-22.6 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 5.6-9.8 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 5.6-21.7 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 5.8-24.1 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.8-9.5 HG2 ARG 26 - HD3 ARG 27 far 0 45 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 80 0 - 6.0-11.1 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 6.4-30.8 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 6.4-25.5 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 6.5-9.5 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 6.7-9.9 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.0-29.3 HB3 LEU 62 - HD3 ARG 84 far 0 100 0 - 7.0-37.4 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 7.2-14.2 HB3 LEU 62 - HD2 ARG 84 far 0 100 0 - 7.3-37.2 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 7.3-12.5 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 7.3-23.6 HG LEU 62 - HD3 ARG 84 far 0 65 0 - 7.4-37.6 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 7.6-29.9 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 7.8-24.9 HG LEU 62 - HD2 ARG 84 far 0 65 0 - 7.9-37.4 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 8.2-19.7 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.6-11.0 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 8.6-11.6 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 9.3-20.9 HG3 ARG 54 - HD3 ARG 84 far 0 89 0 - 9.5-45.5 HG3 ARG 70 - HD2 ARG 27 far 0 64 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 71 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 41 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 59 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.9-13.1 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 56 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3418=21...(20) * HG3 ARG 84 + HD3 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3418=21...(20) HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.3-3.0 2.9=96, 3.0/3418=21...(20) HG2 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.4-3.0 2.9=96, 3.0/3418=21...(20) HG2 ARG 17 + HD3 ARG 17 OK 62 65 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 62 65 100 96 2.4-3.0 3.0=88, 2.9/1161=14...(32) HG2 ARG 71 + HD2 ARG 71 OK 60 64 100 94 2.4-3.0 3.0=87, 3.8/2937=22...(21) HG3 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.4-3.0 3.0=88, 2.9/1161=14...(36) HG3 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(32) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.3-3.0 3.0=90, 529/6.1=6...(25) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 529/6.1=6...(23) HG2 ARG 84 - HD2 ARG 82 far 10 98 10 - 3.1-10.4 HG LEU 86 - HD3 ARG 84 far 5 100 5 - 2.2-12.3 HG3 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.5-10.8 HG3 ARG 70 - HD2 ARG 71 far 4 81 5 - 2.6-9.1 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 3.8-11.9 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 4.5-10.5 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 4.8-11.8 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.3-22.6 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 5.6-9.8 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 5.6-21.7 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 5.8-24.1 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.8-9.5 HG2 ARG 26 - HD3 ARG 27 far 0 45 0 - 5.9-10.4 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 5.9-13.0 HB2 LEU 86 - HD2 ARG 84 far 0 80 0 - 6.0-11.1 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 6.4-30.8 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 6.4-25.5 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 6.5-9.5 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 6.7-9.9 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 6.9-13.5 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.0-29.3 HB3 LEU 62 - HD3 ARG 84 far 0 100 0 - 7.0-37.4 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 7.2-14.2 HB3 LEU 62 - HD2 ARG 84 far 0 100 0 - 7.3-37.2 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 7.3-12.5 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 7.3-23.6 HG LEU 62 - HD3 ARG 84 far 0 65 0 - 7.4-37.6 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 7.6-29.9 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 7.8-24.9 HG LEU 62 - HD2 ARG 84 far 0 65 0 - 7.9-37.4 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 8.0-28.5 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 8.1-21.1 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 8.2-19.7 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.6-11.0 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 8.6-11.6 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.1-18.0 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 9.1-20.4 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.2-13.6 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 9.3-20.9 HG3 ARG 54 - HD3 ARG 84 far 0 89 0 - 9.5-45.5 HG3 ARG 70 - HD2 ARG 27 far 0 64 0 - 9.5-16.9 HG3 ARG 70 - HD3 ARG 23 far 0 71 0 - 9.5-18.3 HG2 ARG 71 - HD2 ARG 26 far 0 41 0 - 9.7-19.0 HG2 ARG 26 - HD2 ARG 71 far 0 59 0 - 9.8-17.2 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.9-13.1 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 4 assignments used, quality = 1.00: * H LYS 85 + HA LYS 85 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 85 - HA LYS 83 far 11 73 15 - 4.3-7.0 H THR 88 - HA LYS 85 far 3 68 5 - 5.6-9.4 H ARG 26 - HA GLU 19 far 0 30 0 - 8.1-13.0 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 8 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 2.3-3.0 3.0=100 HB3 ARG 84 - HA LYS 85 far 10 100 10 - 4.2-6.0 HB3 ARG 84 - HA LYS 83 far 0 73 0 - 4.7-6.5 HB2 LYS 83 - HA LYS 85 far 0 81 0 - 4.8-8.7 HB2 LYS 85 - HA LYS 83 far 0 73 0 - 5.8-10.0 HB3 LYS 75 - HA GLU 19 far 0 44 0 - 9.1-30.2 HB3 LYS 39 - HA GLU 19 far 0 38 0 - 9.9-22.9 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 14 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 HB2 ARG 82 - HA LYS 83 poor 17 39 45 - 4.1-5.3 HB2 ARG 84 - HA LYS 85 far 15 100 15 - 4.2-5.7 HB2 ARG 84 - HA LYS 83 poor 14 72 45 43 4.0-6.5 842/3.6=26, ~5896=10...(4) HB3 LYS 85 - HA LYS 83 far 4 73 5 - 4.1-8.8 HB3 LYS 83 - HA LYS 85 far 0 100 0 - 5.5-8.6 HB3 ARG 17 - HA GLU 19 far 0 37 0 - 5.5-8.8 HB2 ARG 82 - HA LYS 85 far 0 63 0 - 5.7-11.4 HB2 LEU 29 - HA GLU 19 far 0 52 0 - 6.5-17.8 HG3 ARG 26 - HA GLU 19 far 0 30 0 - 7.5-13.9 HG3 ARG 66 - HA LYS 83 far 0 41 0 - 7.7-32.2 HG3 ARG 66 - HA LYS 85 far 0 65 0 - 9.8-33.9 HG2 ARG 70 - HA LYS 83 far 0 63 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (1.38, 4.23, 56.47 ppm; 3.53 A): 3 out of 12 assignments used, quality = 0.98: * HG2 LYS 85 + HA LYS 85 OK 94 100 100 94 2.1-4.2 3.8=78, 4.7/385=35...(9) HG2 LYS 83 + HA LYS 83 OK 62 69 100 89 2.2-4.2 3.7=84, ~833=12, ~832=11...(5) QB ALA 20 + HA GLU 19 OK 32 54 80 75 3.7-5.0 4.5=47, ~29=18...(8) HG2 LYS 83 - HA LYS 85 far 0 98 0 - 4.5-9.1 QB ALA 77 - HA GLU 19 far 0 54 0 - 4.5-27.9 HG2 LYS 85 - HA LYS 83 far 0 73 0 - 4.7-10.0 QB ALA 16 - HA GLU 19 far 0 41 0 - 4.7-9.2 QB ALA 78 - HA GLU 19 far 0 49 0 - 5.6-30.4 QB ALA 78 - HA LYS 83 far 0 68 0 - 6.7-14.0 QB ALA 77 - HA LYS 83 far 0 73 0 - 8.4-17.5 QB ALA 53 - HA LYS 85 far 0 92 0 - 9.7-38.5 HG3 LYS 75 - HA GLU 19 far 0 48 0 - 9.8-32.6 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 2.2-3.8 3.8=100 HG3 LYS 85 - HA LYS 83 far 7 73 10 - 4.2-9.7 QB ALA 30 - HA GLU 19 far 0 51 0 - 9.2-16.2 HG13 ILE 89 - HA LYS 85 far 0 93 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (8.11, 1.80, 32.58 ppm; 4.08 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.3-4.0 4.0=100 H LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.1-3.9 4.0=100 H LYS 75 + HB3 LYS 73 OK 27 57 65 73 2.2-6.9 4.6/325=20, 3.6/6053=20...(10) H LYS 75 - HB2 LYS 73 poor 18 68 35 74 3.4-7.8 4.6/324=29...(8) H LYS 85 - HB2 LYS 83 far 8 81 10 - 4.4-8.1 H THR 88 - HB2 LYS 85 far 3 68 5 - 3.6-9.2 H ARG 71 - HB2 LYS 73 far 0 78 0 - 5.4-7.3 H ARG 71 - HB3 LYS 73 far 0 66 0 - 6.0-6.9 H ARG 71 - HB3 LYS 75 far 0 92 0 - 7.5-12.6 H THR 88 - HB2 LYS 83 far 0 48 0 - 9.2-17.2 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 26 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 2.3-3.0 3.0=100 HA LYS 83 + HB2 LYS 83 OK 70 70 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 53 53 100 100 2.3-2.8 3.0=100 HA LYS 75 - HB3 LYS 73 far 3 55 5 - 3.8-8.1 HA ALA 12 - HB2 LYS 13 far 0 44 0 - 4.6-6.0 HA ALA 77 - HB3 LYS 73 far 0 65 0 - 4.8-14.1 HA LYS 85 - HB2 LYS 83 far 0 81 0 - 4.8-8.7 HA LYS 75 - HB2 LYS 73 far 0 66 0 - 5.1-8.7 HA THR 15 - HB2 LYS 13 far 0 69 0 - 5.3-7.0 HA ALA 77 - HB3 LYS 75 far 0 91 0 - 5.8-8.7 HA LYS 83 - HB2 LYS 85 far 0 93 0 - 5.8-10.0 HA ALA 78 - HB3 LYS 73 far 0 43 0 - 6.1-15.8 HA ALA 78 - HB2 LYS 13 far 0 57 0 - 6.4-53.8 HA ALA 77 - HB2 LYS 73 far 0 77 0 - 6.4-15.1 HA ALA 78 - HB2 LYS 73 far 0 52 0 - 7.0-17.3 HA THR 15 - HB3 LYS 39 far 0 60 0 - 7.2-25.3 HB THR 37 - HB3 LYS 39 far 0 73 0 - 7.6-9.2 HA ALA 78 - HB2 LYS 83 far 0 54 0 - 8.2-18.1 HA ALA 78 - HB3 LYS 75 far 0 64 0 - 8.5-11.8 HA LYS 39 - HB2 LYS 13 far 0 61 0 - 8.6-31.6 HA GLU 19 - HB3 LYS 75 far 0 52 0 - 9.1-30.2 HA ALA 12 - HB3 LYS 39 far 0 38 0 - 9.2-34.5 HB THR 37 - HB2 LYS 73 far 0 76 0 - 9.3-12.8 HA LYS 39 - HB2 LYS 73 far 0 56 0 - 9.8-12.3 HA GLU 19 - HB3 LYS 39 far 0 40 0 - 9.9-22.9 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 82 - HB2 LYS 85 far 0 63 0 - 3.9-12.6 HB2 ARG 82 - HB2 LYS 83 far 0 44 0 - 4.0-6.4 HB2 ARG 84 - HB2 LYS 83 far 0 80 0 - 4.2-7.7 HB2 LEU 43 - HB3 LYS 39 far 0 75 0 - 4.3-5.9 HB2 ARG 84 - HB2 LYS 85 far 0 100 0 - 4.8-7.4 HB3 LYS 85 - HB2 LYS 83 far 0 81 0 - 4.8-9.7 HB3 LYS 83 - HB2 LYS 85 far 0 100 0 - 5.2-10.0 HG2 ARG 70 - HB2 LYS 73 far 0 68 0 - 5.5-8.8 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 6.0-8.1 HG3 ARG 71 - HB3 LYS 75 far 0 50 0 - 7.2-14.9 HG2 ARG 70 - HB3 LYS 75 far 0 82 0 - 7.3-13.5 HG3 ARG 71 - HB2 LYS 73 far 0 40 0 - 7.6-9.3 HB2 LEU 43 - HB2 LYS 73 far 0 78 0 - 7.7-11.3 HG3 ARG 71 - HB3 LYS 73 far 0 33 0 - 8.0-9.8 HB2 LEU 43 - HB3 LYS 73 far 0 66 0 - 9.0-12.7 HB2 LEU 29 - HB2 LYS 13 far 0 82 0 - 9.1-23.0 HB2 ARG 82 - HB2 LYS 13 far 0 46 0 - 9.5-61.5 HG3 ARG 66 - HB2 LYS 83 far 0 46 0 - 9.8-33.0 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 42 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 2.2-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 84 84 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.2-2.7 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 42 42 100 100 2.4-3.0 2.9=100 HG3 LYS 73 - HB3 LYS 75 far 13 87 15 - 2.7-10.8 HG3 ARG 69 - HB2 LYS 73 poor 9 78 30 38 3.0-5.7 2818=10, 1.8/2810=9...(8) HG3 ARG 69 - HB3 LYS 73 far 7 66 10 - 3.2-7.4 HG2 LYS 83 - HB2 LYS 85 far 5 98 5 - 3.8-11.4 QB ALA 20 - HB3 LYS 75 far 5 92 5 - 2.9-23.8 QB ALA 77 - HB2 LYS 73 far 4 78 5 - 3.7-13.0 QB ALA 77 - HB3 LYS 73 far 3 66 5 - 2.4-12.2 HB3 ARG 69 - HB2 LYS 73 far 3 63 5 - 3.9-7.5 HG2 LYS 75 - HB3 LYS 73 far 3 59 5 - 3.9-9.7 HG3 LYS 75 - HB3 LYS 73 far 0 59 0 - 4.2-9.3 QB ALA 78 - HB3 LYS 73 far 0 61 0 - 4.3-14.6 QB ALA 77 - HB3 LYS 75 far 0 92 0 - 4.3-8.1 QB ALA 78 - HB2 LYS 73 far 0 73 0 - 4.7-15.3 HG3 ARG 69 - HB3 LYS 75 far 0 92 0 - 5.0-13.3 HB3 ARG 69 - HB3 LYS 73 far 0 53 0 - 5.0-9.2 HG2 LYS 85 - HB2 LYS 83 far 0 81 0 - 5.1-11.3 HG3 LYS 75 - HB2 LYS 73 far 0 70 0 - 5.5-10.3 HG2 LYS 75 - HB2 LYS 73 far 0 70 0 - 5.6-10.6 QB ALA 16 - HB2 LYS 13 far 0 67 0 - 5.7-9.4 QB ALA 16 - HB3 LYS 39 far 0 59 0 - 5.8-18.8 QB ALA 78 - HB2 LYS 13 far 0 79 0 - 6.0-44.9 HB3 ARG 69 - HB3 LYS 75 far 0 77 0 - 6.4-14.1 QB ALA 78 - HB2 LYS 83 far 0 75 0 - 6.9-15.3 QB ALA 20 - HB2 LYS 73 far 0 78 0 - 7.0-20.0 QB ALA 77 - HB2 LYS 83 far 0 80 0 - 7.0-19.0 QB ALA 20 - HB3 LYS 73 far 0 66 0 - 7.6-21.0 QB ALA 78 - HB3 LYS 75 far 0 87 0 - 7.8-10.8 QB ALA 77 - HB2 LYS 85 far 0 100 0 - 8.1-23.4 HB3 ARG 69 - HB3 LYS 39 far 0 60 0 - 8.2-12.1 QB ALA 20 - HB3 LYS 39 far 0 75 0 - 8.3-19.2 HG3 LYS 39 - HB2 LYS 13 far 0 48 0 - 8.6-30.7 HG3 ARG 69 - HB3 LYS 39 far 0 75 0 - 8.8-12.9 QB ALA 77 - HB2 LYS 13 far 0 84 0 - 9.5-42.4 QB ALA 53 - HB2 LYS 85 far 0 92 0 - 9.8-39.0 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 10.0-20.6 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 15 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 far 6 60 10 - 2.2-11.0 HG3 LYS 85 - HB2 LYS 83 far 4 81 5 - 4.0-11.1 HB3 LEU 43 - HB3 LYS 39 far 0 62 0 - 5.4-7.1 QB ALA 30 - HB2 LYS 13 far 0 81 0 - 7.6-21.7 HG13 ILE 89 - HB2 LYS 85 far 0 93 0 - 8.0-16.4 HB3 LEU 43 - HB2 LYS 73 far 0 65 0 - 8.6-12.3 HG3 LYS 13 - HB3 LYS 39 far 0 75 0 - 8.8-31.4 HG12 ILE 33 - HB2 LYS 13 far 0 80 0 - 9.0-26.7 HB3 LEU 43 - HB3 LYS 73 far 0 54 0 - 9.7-13.7 HB3 LEU 52 - HB3 LYS 39 far 0 55 0 - 9.8-14.0 HG12 ILE 33 - HB3 LYS 39 far 0 71 0 - 9.8-12.8 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 2.3-3.5 4.0=100 H LYS 85 - HB3 LYS 83 far 15 100 15 - 2.7-8.0 H THR 88 - HB3 LYS 85 far 3 68 5 - 5.3-10.1 H THR 88 - HB3 LYS 83 far 0 67 0 - 9.7-17.9 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 5 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 83 - HB3 LYS 85 far 5 93 5 - 4.1-8.8 HA LYS 85 - HB3 LYS 83 far 0 100 0 - 5.5-8.6 HA ALA 78 - HB3 LYS 83 far 0 74 0 - 9.1-18.0 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 6 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 - 4.1-7.8 HB3 ARG 84 - HB3 LYS 85 far 0 100 0 - 4.4-6.8 HB2 LYS 83 - HB3 LYS 85 far 0 81 0 - 4.8-9.7 HB2 LYS 85 - HB3 LYS 83 far 0 100 0 - 5.2-10.0 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 7 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 83 + HB3 LYS 83 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 83 - HB3 LYS 85 far 10 98 10 - 2.2-10.4 HG2 LYS 85 - HB3 LYS 83 far 0 100 0 - 5.3-10.6 QB ALA 78 - HB3 LYS 83 far 0 96 0 - 7.7-14.2 QB ALA 77 - HB3 LYS 83 far 0 100 0 - 8.3-18.0 QB ALA 77 - HB3 LYS 85 far 0 100 0 - 8.7-22.3 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 4 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 - 4.2-10.6 HG13 ILE 89 - HB3 LYS 83 far 0 92 0 - 8.5-23.8 HG13 ILE 89 - HB3 LYS 85 far 0 93 0 - 9.7-17.6 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 15 assignments used, quality = 1.00: * HA LYS 85 + HG2 LYS 85 OK 98 100 100 98 2.1-4.2 3.8=91, 385/4.7=40...(9) HA LYS 83 + HG2 LYS 83 OK 80 81 100 99 2.2-4.2 3.7=99, ~833=14, ~832=12...(5) HA LYS 75 + HG3 LYS 75 OK 49 49 100 100 2.1-4.2 3.9=88, 3070/1.8=38...(54) HA LYS 75 + HG2 LYS 75 OK 49 49 100 100 2.1-4.2 3.9=88, 3071/1.8=38...(53) HA LYS 85 - HG2 LYS 83 far 5 91 5 - 4.5-9.1 HA LYS 75 - HG3 LYS 73 far 4 87 5 - 4.6-9.1 HA ALA 77 - HG2 LYS 75 far 3 59 5 - 4.6-10.4 HA ALA 77 - HG3 LYS 73 far 0 97 0 - 4.7-15.7 HA LYS 83 - HG2 LYS 85 far 0 93 0 - 4.7-10.0 HA ALA 77 - HG3 LYS 75 far 0 59 0 - 5.7-10.1 HA ALA 78 - HG2 LYS 75 far 0 38 0 - 6.4-13.3 HA ALA 78 - HG3 LYS 73 far 0 70 0 - 6.9-17.7 HA ALA 78 - HG2 LYS 83 far 0 64 0 - 7.7-18.1 HA ALA 78 - HG3 LYS 75 far 0 38 0 - 8.0-13.1 HA GLU 19 - HG3 LYS 75 far 0 30 0 - 9.8-32.6 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 19 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 2.4-3.0 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 2.2-2.7 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 49 49 100 100 2.2-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 49 49 100 100 2.2-3.0 2.7=100 HB3 LYS 75 - HG3 LYS 73 far 13 87 15 - 2.7-10.8 HB3 ARG 84 - HG2 LYS 85 far 10 100 10 - 3.2-8.8 HB3 ARG 84 - HG2 LYS 83 far 5 91 5 - 3.8-8.1 HB2 LYS 85 - HG2 LYS 83 far 5 91 5 - 3.8-11.4 HB3 LYS 73 - HG2 LYS 75 far 2 35 5 - 3.9-9.7 HB3 LYS 73 - HG3 LYS 75 far 0 35 0 - 4.2-9.3 HB2 LYS 83 - HG2 LYS 85 far 0 81 0 - 5.1-11.3 HB2 LYS 73 - HG3 LYS 75 far 0 43 0 - 5.5-10.3 HB2 LYS 73 - HG2 LYS 75 far 0 43 0 - 5.6-10.6 HB2 ARG 69 - HG3 LYS 73 far 0 97 0 - 7.4-9.5 HB2 ARG 69 - HG2 LYS 75 far 0 59 0 - 9.7-16.2 HB2 ARG 69 - HG3 LYS 75 far 0 59 0 - 9.8-15.7 HB ILE 89 - HG2 LYS 83 far 0 68 0 - 9.9-22.4 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 16 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 83 + HG2 LYS 83 OK 90 90 100 100 2.2-3.0 2.9=100 HB3 LYS 85 - HG2 LYS 83 far 9 91 10 - 2.2-10.4 HB2 ARG 84 - HG2 LYS 83 far 9 91 10 - 4.3-7.4 HB2 ARG 82 - HG2 LYS 83 far 5 52 10 - 4.4-7.9 HB2 ARG 84 - HG2 LYS 85 far 0 100 0 - 4.7-8.0 HB2 ARG 82 - HG2 LYS 85 far 0 63 0 - 4.9-13.8 HB3 LYS 83 - HG2 LYS 85 far 0 100 0 - 5.3-10.6 HG2 ARG 70 - HG3 LYS 75 far 0 51 0 - 6.1-15.1 HG2 ARG 70 - HG2 LYS 75 far 0 51 0 - 7.0-14.7 HG3 ARG 71 - HG3 LYS 75 far 0 29 0 - 7.4-16.4 HG2 ARG 70 - HG3 LYS 73 far 0 88 0 - 7.9-10.2 HG3 ARG 66 - HG2 LYS 83 far 0 54 0 - 8.0-34.1 HG3 ARG 71 - HG2 LYS 75 far 0 29 0 - 8.0-16.2 HB2 LEU 43 - HG3 LYS 73 far 0 97 0 - 8.8-11.6 HG2 ARG 70 - HG2 LYS 83 far 0 81 0 - 9.9-31.6 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 5 91 5 - 2.2-11.6 HG2 LYS 73 - HG3 LYS 75 far 2 35 5 - 3.1-11.4 HG2 LYS 73 - HG2 LYS 75 far 0 35 0 - 4.4-12.2 HG13 ILE 89 - HG2 LYS 83 far 0 81 0 - 7.7-22.6 HG13 ILE 89 - HG2 LYS 85 far 0 93 0 - 8.2-17.8 HB3 LEU 43 - HG3 LYS 73 far 0 85 0 - 9.4-12.5 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 10 assignments used, quality = 1.00: * HA LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.2-3.8 3.8=100 HA ALA 12 - HG3 LYS 13 poor 14 57 50 50 3.3-6.4 3.6/471=48, 3137/3.8=2 HA LYS 83 - HG3 LYS 85 far 9 93 10 - 4.2-9.7 HA THR 15 - HG3 LYS 13 far 9 86 10 - 4.8-9.3 HA LYS 75 - HG2 LYS 73 far 3 59 5 - 3.3-9.6 HA ALA 77 - HG2 LYS 73 far 0 70 0 - 6.2-16.5 HA ALA 78 - HG3 LYS 13 far 0 73 0 - 7.3-52.7 HA ALA 78 - HG2 LYS 73 far 0 46 0 - 7.5-18.5 HA LYS 39 - HG2 LYS 73 far 0 50 0 - 9.3-13.0 HB THR 37 - HG2 LYS 73 far 0 69 0 - 10.0-14.1 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 11 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HB3 LYS 75 - HG2 LYS 73 far 6 59 10 - 2.2-11.0 HB3 ARG 84 - HG3 LYS 85 far 5 100 5 - 4.0-8.4 HB2 LYS 83 - HG3 LYS 85 far 4 81 5 - 4.0-11.1 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 6.3-8.6 HB3 LYS 32 - HG3 LYS 13 far 0 57 0 - 6.7-25.4 HB2 LYS 32 - HG3 LYS 13 far 0 57 0 - 8.3-27.1 HB3 LYS 39 - HG3 LYS 13 far 0 80 0 - 8.8-31.4 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 HB3 LYS 83 - HG3 LYS 85 far 15 100 15 - 4.2-10.6 HB2 ARG 84 - HG3 LYS 85 far 5 100 5 - 4.0-7.7 HB2 ARG 82 - HG3 LYS 85 far 0 63 0 - 6.0-13.0 HB2 LEU 43 - HG2 LYS 73 far 0 70 0 - 7.1-11.6 HG2 ARG 70 - HG2 LYS 73 far 0 61 0 - 7.4-10.0 HB2 ARG 82 - HG3 LYS 13 far 0 60 0 - 7.7-59.9 HG3 ARG 71 - HG2 LYS 73 far 0 35 0 - 9.5-11.0 HB2 LEU 29 - HG3 LYS 13 far 0 98 0 - 9.6-25.4 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 HG2 LYS 83 - HG3 LYS 85 far 5 98 5 - 2.2-11.6 HG3 LYS 75 - HG2 LYS 73 far 3 63 5 - 3.1-11.4 QB ALA 77 - HG2 LYS 73 far 0 70 0 - 3.8-14.4 HG2 LYS 75 - HG2 LYS 73 far 0 63 0 - 4.4-12.2 HG3 ARG 69 - HG2 LYS 73 far 0 71 0 - 4.5-7.4 QB ALA 78 - HG2 LYS 73 far 0 66 0 - 5.6-16.8 HB3 ARG 69 - HG2 LYS 73 far 0 56 0 - 5.8-8.2 QB ALA 16 - HG3 LYS 13 far 0 84 0 - 6.2-11.6 QB ALA 78 - HG3 LYS 13 far 0 95 0 - 6.8-44.0 QB ALA 53 - HG3 LYS 85 far 0 92 0 - 8.3-38.8 QB ALA 20 - HG2 LYS 73 far 0 71 0 - 8.8-21.1 QB ALA 77 - HG3 LYS 85 far 0 100 0 - 9.0-23.2 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 2.8-2.9 3.0=100 H VAL 90 - HA LEU 86 far 0 100 0 - 9.5-13.0 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 5 assignments used, quality = 1.00: * HB2 LEU 86 + HA LEU 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 86 + HA LEU 86 OK 89 90 100 99 2.4-4.3 2.1/3519=71, 4.3=59...(17) HG3 ARG 84 - HA LEU 86 far 0 81 0 - 4.8-9.2 HG2 ARG 84 - HA LEU 86 far 0 81 0 - 6.3-9.7 HB3 LEU 62 - HA LEU 86 far 0 68 0 - 9.0-39.9 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 2 assignments used, quality = 1.00: * HB3 LEU 86 + HA LEU 86 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 62 - HA LEU 86 far 0 71 0 - 9.0-39.9 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 5 assignments used, quality = 0.99: * HG LEU 86 + HA LEU 86 OK 93 100 95 98 2.4-4.3 2.1/3519=62, 4.3=47...(17) HB2 LEU 86 + HA LEU 86 OK 90 90 100 100 2.2-3.0 3.0=100 HG3 ARG 84 - HA LEU 86 far 0 100 0 - 4.8-9.2 HG2 ARG 84 - HA LEU 86 far 0 100 0 - 6.3-9.7 HB3 LEU 62 - HA LEU 86 far 0 97 0 - 9.0-39.9 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 4 assignments used, quality = 1.00: * QD1 LEU 86 + HA LEU 86 OK 100 100 100 100 2.1-4.1 4.0=100 QD1 LEU 62 - HA LEU 86 far 0 93 0 - 7.5-35.9 QG2 VAL 90 - HA LEU 86 far 0 97 0 - 9.0-12.7 QG1 VAL 90 - HA LEU 86 far 0 96 0 - 9.3-13.1 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 = 0.99: * QD2 LEU 86 + HA LEU 86 OK 99 100 100 99 2.0-3.5 3549=84, 3551/3.0=35...(19) QG2 ILE 89 - HA LEU 86 far 0 98 0 - 6.3-10.8 QD1 ILE 89 - HA LEU 86 far 0 78 0 - 6.7-11.4 Violated in 7 structures by 0.01 A. Peak 3520 from cnoeabs.peaks (8.27, 1.61, 42.08 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.1-3.9 4.0=100 H VAL 90 - HB2 LEU 86 far 0 100 0 - 7.6-14.4 H LEU 86 - HB3 LEU 62 far 0 58 0 - 7.9-38.2 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 6 assignments used, quality = 1.00: * HA LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 87 - HB2 LEU 86 poor 20 93 30 70 4.3-6.5 ~397=31, 3528/1.8=14...(11) HA THR 88 - HB2 LEU 86 far 0 78 0 - 5.0-9.1 HA SER 60 - HB3 LEU 62 far 0 35 0 - 5.7-6.9 HA GLU 87 - HB3 LEU 62 far 0 49 0 - 6.3-42.2 HA LEU 86 - HB3 LEU 62 far 0 58 0 - 9.0-39.9 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): 2 out of 6 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 OK 52 57 100 91 2.8-3.0 3.0=53, 2575/1.8=30...(21) HB3 LEU 86 - HB3 LEU 62 far 0 58 0 - 6.1-41.0 HG LEU 64 - HB3 LEU 62 far 0 37 0 - 6.8-9.0 HB3 LEU 62 - HB2 LEU 86 far 0 71 0 - 7.6-40.6 HG LEU 62 - HB2 LEU 86 far 0 100 0 - 8.8-42.4 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 7 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 2.6-3.0 3.1=100 QD1 LEU 86 - HB3 LEU 62 far 0 58 0 - 5.5-35.9 QD1 LEU 62 - HB2 LEU 86 far 0 93 0 - 6.2-36.1 QG1 VAL 90 - HB2 LEU 86 far 0 96 0 - 7.5-14.8 QG2 VAL 90 - HB2 LEU 86 far 0 97 0 - 8.5-13.5 HG LEU 51 - HB3 LEU 62 far 0 57 0 - 8.8-11.6 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 7 assignments used, quality = 1.00: * QD2 LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 64 - HB3 LEU 62 far 0 51 0 - 6.6-8.0 QG2 ILE 89 - HB2 LEU 86 far 0 98 0 - 6.9-12.2 QD1 ILE 89 - HB2 LEU 86 far 0 78 0 - 7.4-11.2 QD2 LEU 86 - HB3 LEU 62 far 0 58 0 - 7.9-34.4 QG2 ILE 89 - HB3 LEU 62 far 0 54 0 - 8.4-41.9 QD1 ILE 89 - HB3 LEU 62 far 0 38 0 - 9.8-42.1 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 2.7-3.5 4.0=100 H LEU 86 - HB3 LEU 62 far 0 60 0 - 7.9-38.2 H VAL 90 - HB3 LEU 86 far 0 100 0 - 8.7-14.2 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (4.30, 1.56, 42.08 ppm; 3.93 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 87 + HB3 LEU 86 OK 26 93 35 81 4.1-6.0 3.0/397=52, 3542/3.1=13...(11) HA THR 88 - HB3 LEU 86 far 8 78 10 - 4.7-8.2 HA ARG 17 - HB3 LEU 29 far 7 50 15 - 3.2-18.9 HA ALA 16 - HB3 LEU 29 far 4 74 5 - 4.6-17.4 HA SER 60 - HB3 LEU 62 far 0 37 0 - 5.7-6.9 HA GLU 87 - HB3 LEU 62 far 0 51 0 - 6.3-42.2 HA PRO 34 - HB3 LEU 29 far 0 67 0 - 8.1-11.4 HA LEU 86 - HB3 LEU 62 far 0 60 0 - 9.0-39.9 HA SER 60 - HB3 LEU 86 far 0 73 0 - 9.8-40.9 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 17 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 78 90 100 86 2.4-3.0 3537=56, 2.1/3551=22...(17) HG3 ARG 84 - HB3 LEU 86 far 0 81 0 - 4.8-11.4 HG2 ARG 84 - HB3 LEU 86 far 0 81 0 - 5.3-11.8 HG3 ARG 17 - HB3 LEU 29 far 0 76 0 - 5.4-20.6 HG2 ARG 17 - HB3 LEU 29 far 0 77 0 - 5.6-20.5 HB3 LEU 62 - HB3 LEU 86 far 0 68 0 - 6.1-41.0 HG2 ARG 26 - HB3 LEU 29 far 0 75 0 - 6.2-8.7 HD3 LYS 32 - HB3 LEU 29 far 0 78 0 - 6.9-10.5 HG LEU 86 - HB3 LEU 62 far 0 49 0 - 7.4-42.3 HB2 LEU 86 - HB3 LEU 62 far 0 60 0 - 7.6-40.6 HD2 LYS 32 - HB3 LEU 29 far 0 77 0 - 7.8-10.5 HG2 ARG 27 - HB3 LEU 29 far 0 63 0 - 8.8-10.5 HG2 ARG 84 - HB3 LEU 62 far 0 42 0 - 8.8-36.3 HG3 ARG 27 - HB3 LEU 29 far 0 61 0 - 8.9-10.3 HG3 ARG 84 - HB3 LEU 62 far 0 42 0 - 9.4-38.0 HB3 LEU 51 - HB3 LEU 62 far 0 50 0 - 9.4-11.6 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 15 assignments used, quality = 0.99: 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 88 100 100 88 2.4-3.0 3537=62, 2.1/3551=22...(17) HG3 ARG 84 - HB3 LEU 86 far 0 100 0 - 4.8-11.4 HG2 ARG 84 - HB3 LEU 86 far 0 100 0 - 5.3-11.8 HG3 ARG 17 - HB3 LEU 29 far 0 56 0 - 5.4-20.6 HG2 ARG 17 - HB3 LEU 29 far 0 58 0 - 5.6-20.5 HB3 LEU 62 - HB3 LEU 86 far 0 97 0 - 6.1-41.0 HG2 ARG 26 - HB3 LEU 29 far 0 52 0 - 6.2-8.7 HD3 LYS 32 - HB3 LEU 29 far 0 67 0 - 6.9-10.5 HG LEU 86 - HB3 LEU 62 far 0 60 0 - 7.4-42.3 HB2 LEU 86 - HB3 LEU 62 far 0 49 0 - 7.6-40.6 HD2 LYS 32 - HB3 LEU 29 far 0 70 0 - 7.8-10.5 HG2 ARG 84 - HB3 LEU 62 far 0 59 0 - 8.8-36.3 HG3 ARG 84 - HB3 LEU 62 far 0 59 0 - 9.4-38.0 HB3 LEU 51 - HB3 LEU 62 far 0 60 0 - 9.4-11.6 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 8 assignments used, quality = 1.00: * QD1 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 74 74 100 100 2.0-2.8 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 51 51 100 100 2.6-3.0 3.1=100 QD1 LEU 62 - HB3 LEU 86 far 0 93 0 - 5.2-36.8 QD1 LEU 86 - HB3 LEU 62 far 0 60 0 - 5.5-35.9 QG2 VAL 90 - HB3 LEU 86 far 0 97 0 - 8.0-13.5 QG1 VAL 90 - HB3 LEU 86 far 0 96 0 - 8.2-13.7 HG LEU 51 - HB3 LEU 62 far 0 60 0 - 8.8-11.6 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 10 assignments used, quality = 1.00: * QD2 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 70 70 100 100 2.1-2.7 3.1=100 QG2 ILE 89 - HB3 LEU 86 far 0 98 0 - 6.4-11.5 QD2 LEU 64 - HB3 LEU 62 far 0 54 0 - 6.6-8.0 QD1 ILE 89 - HB3 LEU 86 far 0 78 0 - 6.6-11.9 QD2 LEU 64 - HB3 LEU 29 far 0 70 0 - 7.1-7.9 QD2 LEU 86 - HB3 LEU 62 far 0 60 0 - 7.9-34.4 QG2 ILE 89 - HB3 LEU 62 far 0 57 0 - 8.4-41.9 QG2 ILE 68 - HB3 LEU 29 far 0 50 0 - 8.5-11.1 QD1 ILE 89 - HB3 LEU 62 far 0 40 0 - 9.8-42.1 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (4.30, 1.60, 26.98 ppm; 4.27 A): 5 out of 15 assignments used, quality = 1.00: * HA LEU 86 + HG LEU 86 OK 100 100 100 100 2.4-4.3 4.3=100 HA ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.2-4.2 4.0=100 HA ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.2-4.2 4.0=100 HA GLU 87 + HG LEU 86 OK 27 93 40 71 4.3-7.1 ~397=30, 3.0/396=22...(7) HA ALA 16 + HG2 ARG 17 OK 21 75 60 47 3.3-7.0 22/5.0=46, ~1162=2 HA ALA 16 - HG3 ARG 17 poor 19 73 55 47 3.6-7.5 22/5.0=46, ~1162=2 HA LEU 86 - HG3 ARG 84 far 4 71 5 - 4.8-9.2 HA THR 88 - HG LEU 86 far 0 78 0 - 5.4-9.5 HA PRO 34 - HG2 ARG 17 far 0 68 0 - 5.8-27.1 HA PRO 34 - HG3 ARG 17 far 0 66 0 - 6.1-26.6 HA LEU 86 - HG2 ARG 84 far 0 71 0 - 6.3-9.7 HA ASP 38 - HG2 ARG 17 far 0 52 0 - 7.0-20.5 HA ASP 38 - HG3 ARG 17 far 0 51 0 - 8.0-21.5 HA GLU 87 - HG3 ARG 84 far 0 61 0 - 8.0-12.7 HA GLU 87 - HG2 ARG 84 far 0 61 0 - 9.0-12.9 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; 2.40 A): 2 out of 22 assignments used, quality = 0.94: * HB3 LEU 86 + HG LEU 86 OK 86 100 100 86 2.4-3.0 3.0=53, 3551/2.1=22...(18) HB3 ARG 54 + HG3 ARG 54 OK 53 59 100 91 2.6-3.0 3.0=54, 1.8/2312=25...(19) HB3 LEU 86 - HG3 ARG 84 far 0 71 0 - 4.8-11.4 HB3 LEU 86 - HG2 ARG 84 far 0 71 0 - 5.3-11.8 HB3 LEU 29 - HG3 ARG 17 far 0 62 0 - 5.4-20.6 HB3 LEU 29 - HG2 ARG 17 far 0 64 0 - 5.6-20.5 HD3 LYS 39 - HG3 ARG 17 far 0 58 0 - 7.2-23.9 HB3 LEU 62 - HG LEU 86 far 0 71 0 - 7.4-42.3 HG3 ARG 23 - HG3 ARG 70 far 0 63 0 - 7.5-18.9 HD3 LYS 39 - HG2 ARG 17 far 0 60 0 - 8.4-24.6 HG2 LYS 39 - HG3 ARG 17 far 0 65 0 - 8.5-21.8 HD2 LYS 39 - HG3 ARG 54 far 0 51 0 - 8.6-13.3 HG LEU 62 - HG LEU 86 far 0 100 0 - 8.6-44.3 HB3 LEU 62 - HG2 ARG 84 far 0 43 0 - 8.8-36.3 HD2 LYS 39 - HG3 ARG 17 far 0 56 0 - 8.8-23.4 HG LEU 64 - HG3 ARG 70 far 0 61 0 - 9.0-12.8 HB3 LEU 62 - HG3 ARG 84 far 0 43 0 - 9.4-38.0 HG2 LYS 39 - HG3 ARG 54 far 0 59 0 - 9.4-13.2 HG LEU 62 - HG3 ARG 54 far 0 69 0 - 9.5-11.6 HG LEU 62 - HG2 ARG 84 far 0 70 0 - 9.5-36.6 HD2 LYS 39 - HG2 ARG 17 far 0 58 0 - 9.7-24.2 HD3 LYS 39 - HG3 ARG 54 far 0 53 0 - 9.7-13.3 Violated in 5 structures by 0.02 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 14 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 - HG2 ARG 84 far 7 71 10 - 3.5-10.1 QD1 LEU 29 - HG2 ARG 17 far 4 75 5 - 3.9-16.6 QD1 LEU 29 - HG3 ARG 17 far 4 73 5 - 4.4-16.9 QD1 LEU 86 - HG3 ARG 84 far 4 71 5 - 4.5-10.1 QD1 LEU 62 - HG LEU 86 far 0 93 0 - 5.5-37.9 HG LEU 51 - HG3 ARG 54 far 0 69 0 - 5.8-7.4 QG1 VAL 90 - HG LEU 86 far 0 96 0 - 6.9-15.2 QD1 LEU 62 - HG2 ARG 84 far 0 61 0 - 7.6-31.8 QG2 VAL 90 - HG LEU 86 far 0 97 0 - 7.9-13.5 QD1 LEU 62 - HG3 ARG 54 far 0 60 0 - 8.0-10.1 QG2 VAL 90 - HG3 ARG 54 far 0 64 0 - 8.4-51.9 QD1 LEU 62 - HG3 ARG 84 far 0 61 0 - 8.5-33.2 QG1 VAL 90 - HG3 ARG 54 far 0 63 0 - 9.2-51.9 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 13 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 - 3.0-10.0 QD2 LEU 86 - HG2 ARG 84 far 7 71 10 - 4.3-10.3 QG2 ILE 68 - HG3 ARG 70 far 0 59 0 - 5.2-8.4 QG2 ILE 89 - HG LEU 86 far 0 98 0 - 5.6-12.6 QD2 LEU 29 - HG2 ARG 17 far 0 71 0 - 5.7-15.4 QD2 LEU 29 - HG3 ARG 17 far 0 69 0 - 6.1-15.5 QD1 LEU 43 - HG3 ARG 54 far 0 69 0 - 6.4-8.6 QD1 ILE 89 - HG LEU 86 far 0 78 0 - 7.3-12.6 QD1 ILE 89 - HG2 ARG 84 far 0 48 0 - 8.7-18.5 QD1 ILE 89 - HG3 ARG 84 far 0 48 0 - 8.7-18.0 QG2 ILE 89 - HG3 ARG 54 far 0 66 0 - 9.2-49.1 QD2 LEU 64 - HG3 ARG 70 far 0 81 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (4.30, 0.89, 24.55 ppm; 4.34 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.1-4.1 4.0=100 HA GLU 87 + QD1 LEU 86 OK 37 93 60 66 2.7-6.6 ~397=30, ~396=16...(8) HA ARG 17 - QD1 LEU 29 far 10 68 15 - 2.1-16.9 HA ALA 16 - QD1 LEU 29 far 5 95 5 - 4.6-16.3 HA THR 88 - QD1 LEU 86 lone 2 78 50 5 3.7-8.0 3.0/5367=4 HA GLU 87 - QD1 LEU 62 far 0 80 0 - 6.0-36.9 HA SER 60 - QD1 LEU 62 far 0 60 0 - 6.4-6.9 HA LEU 86 - QD1 LEU 62 far 0 90 0 - 7.5-35.9 HA PRO 34 - QD1 LEU 29 far 0 89 0 - 8.7-11.2 HA SER 60 - QD1 LEU 86 far 0 73 0 - 9.1-35.3 HA THR 88 - QD1 LEU 62 far 0 65 0 - 9.1-40.3 HA ASP 38 - QD1 LEU 29 far 0 71 0 - 9.9-13.5 HA PRO 34 - QD1 LEU 62 far 0 80 0 - 10.0-11.9 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 18 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 2.6-3.0 3.1=100 HG2 ARG 26 + QD1 LEU 29 OK 22 96 40 56 2.6-6.4 3.7/4187=14, 5100/2.1=12...(11) HG2 ARG 17 - QD1 LEU 29 far 5 97 5 - 3.9-16.6 HG2 ARG 84 - QD1 LEU 86 far 4 81 5 - 3.5-10.1 HG3 ARG 17 - QD1 LEU 29 far 0 97 0 - 4.4-16.9 HG3 ARG 84 - QD1 LEU 86 far 0 81 0 - 4.5-10.1 HG LEU 86 - QD1 LEU 62 far 0 76 0 - 5.5-37.9 HB3 LEU 62 - QD1 LEU 86 far 0 68 0 - 5.5-35.9 HB2 LEU 86 - QD1 LEU 62 far 0 90 0 - 6.2-36.1 HG2 ARG 27 - QD1 LEU 29 far 0 84 0 - 6.3-8.5 HG3 ARG 27 - QD1 LEU 29 far 0 82 0 - 6.6-8.5 HB3 LEU 51 - QD1 LEU 62 far 0 78 0 - 6.9-9.0 HD3 LYS 32 - QD1 LEU 29 far 0 97 0 - 7.0-9.8 HD2 LYS 32 - QD1 LEU 29 far 0 97 0 - 7.3-9.8 HG2 ARG 84 - QD1 LEU 62 far 0 67 0 - 7.6-31.8 HG3 ARG 84 - QD1 LEU 62 far 0 67 0 - 8.5-33.2 Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (1.56, 0.89, 24.55 ppm; 2.76 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LEU 86 + QD1 LEU 86 OK 97 100 100 97 2.1-3.2 3.1=71, 3537/2.1=41...(19) 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 84 100 100 2.0-2.8 3.1=70, 1.8/1506=55...(20) HB3 LEU 62 + QD1 LEU 62 OK 56 58 100 98 2.6-3.0 3.1=70, 3.0/2570=27...(22) HB3 LEU 86 - QD1 LEU 62 far 0 90 0 - 5.2-36.8 HB3 LEU 62 - QD1 LEU 86 far 0 71 0 - 5.5-35.9 HG LEU 62 - QD1 LEU 86 far 0 100 0 - 6.0-37.4 HG LEU 64 - QD1 LEU 62 far 0 62 0 - 7.1-9.6 HG3 ARG 23 - QD1 LEU 29 far 0 73 0 - 7.8-12.4 HG3 ARG 54 - QD1 LEU 62 far 0 81 0 - 8.0-10.1 HB3 ARG 54 - QD1 LEU 62 far 0 78 0 - 8.4-10.2 HD3 LYS 39 - QD1 LEU 62 far 0 71 0 - 9.5-13.4 HG LEU 64 - QD1 LEU 29 far 0 71 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (1.60, 0.89, 24.55 ppm; 2.87 A): 4 out of 19 assignments used, quality = 1.00: * HG LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 86 + QD1 LEU 86 OK 88 90 100 97 2.0-3.2 3.1=80, ~3537=22...(18) HB3 LEU 62 + QD1 LEU 62 OK 84 85 100 99 2.6-3.0 3.1=79, 3.0/2570=29...(24) HB3 LEU 29 + QD1 LEU 29 OK 82 82 100 100 2.0-2.8 3.1=79, 1.8/1506=59...(20) HG2 ARG 26 - QD1 LEU 29 poor 13 71 40 44 2.6-6.4 3.7/4187=12, 3.0/5832=8...(10) HG2 ARG 84 - QD1 LEU 86 far 5 100 5 - 3.5-10.1 HG2 ARG 17 - QD1 LEU 29 far 0 78 0 - 3.9-16.6 HG3 ARG 17 - QD1 LEU 29 far 0 76 0 - 4.4-16.9 HG3 ARG 84 - QD1 LEU 86 far 0 100 0 - 4.5-10.1 HG LEU 86 - QD1 LEU 62 far 0 90 0 - 5.5-37.9 HB3 LEU 62 - QD1 LEU 86 far 0 97 0 - 5.5-35.9 HB2 LEU 86 - QD1 LEU 62 far 0 76 0 - 6.2-36.1 HB3 LEU 51 - QD1 LEU 62 far 0 90 0 - 6.9-9.0 HD3 LYS 32 - QD1 LEU 29 far 0 89 0 - 7.0-9.8 HD2 LYS 32 - QD1 LEU 29 far 0 91 0 - 7.3-9.8 HG2 ARG 84 - QD1 LEU 62 far 0 89 0 - 7.6-31.8 HG3 ARG 54 - QD1 LEU 62 far 0 65 0 - 8.0-10.1 HG3 ARG 84 - QD1 LEU 62 far 0 89 0 - 8.5-33.2 HD3 LYS 39 - QD1 LEU 62 far 0 76 0 - 9.5-13.4 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 12 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 1.9-2.1 2.1=100 QG2 ILE 89 - QD1 LEU 86 far 5 98 5 - 3.3-10.6 QD1 ILE 89 - QD1 LEU 86 far 0 78 0 - 4.7-9.3 QG2 ILE 89 - QD1 LEU 62 far 0 86 0 - 4.9-35.5 QD2 LEU 86 - QD1 LEU 62 far 0 90 0 - 5.8-30.9 QD2 LEU 64 - QD1 LEU 62 far 0 82 0 - 6.4-8.0 QD2 LEU 64 - QD1 LEU 29 far 0 91 0 - 6.7-7.5 QD1 ILE 89 - QD1 LEU 62 far 0 65 0 - 7.2-37.3 QG2 ILE 68 - QD1 LEU 29 far 0 68 0 - 7.3-10.4 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 8.4-9.8 QG2 ILE 68 - QD1 LEU 62 far 0 60 0 - 9.4-10.2 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 7 assignments used, quality = 1.00: * HA LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.0-3.5 3519=100, 3.0/3551=36...(19) HA THR 88 - QD2 LEU 86 poor 20 78 25 - 3.0-7.9 HA GLU 87 - QD2 LEU 86 poor 12 93 25 50 3.0-6.2 ~397=18, 3542/2.1=13...(7) HA ARG 17 - QD2 LEU 29 far 3 58 5 - 3.8-14.5 HA ALA 16 - QD2 LEU 29 far 0 84 0 - 5.6-14.9 HA PRO 34 - QD2 LEU 29 far 0 77 0 - 7.2-11.8 HA ASP 38 - QD2 LEU 29 far 0 60 0 - 7.7-11.6 Violated in 1 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (1.61, 0.83, 23.40 ppm; 3.40 A): 3 out of 13 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 36 85 65 66 3.3-6.1 5100=15, 3.7/5349=14...(14) HG3 ARG 84 - QD2 LEU 86 far 8 81 10 - 3.0-10.0 HG2 ARG 84 - QD2 LEU 86 far 0 81 0 - 4.3-10.3 HG2 ARG 17 - QD2 LEU 29 far 0 86 0 - 5.7-15.4 HG2 ARG 27 - QD2 LEU 29 far 0 72 0 - 5.8-7.8 HG3 ARG 27 - QD2 LEU 29 far 0 70 0 - 5.8-7.4 HG3 ARG 17 - QD2 LEU 29 far 0 86 0 - 6.1-15.5 HD3 LYS 32 - QD2 LEU 29 far 0 87 0 - 7.8-10.8 HB3 LEU 62 - QD2 LEU 86 far 0 68 0 - 7.9-34.4 HD2 LYS 32 - QD2 LEU 29 far 0 86 0 - 8.5-10.5 HG2 ARG 71 - QD2 LEU 29 far 0 86 0 - 9.5-14.3 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 8 assignments used, quality = 1.00: * HB3 LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.1-3.2 3.1=93, 3537/2.1=47...(21) HB3 LEU 29 + QD2 LEU 29 OK 72 72 100 100 2.1-2.7 3.1=92, 1494/2.1=63...(23) HG3 ARG 23 - QD2 LEU 29 far 0 62 0 - 7.4-10.0 HG LEU 64 - QD2 LEU 29 far 0 60 0 - 7.7-9.6 HB3 LEU 62 - QD2 LEU 86 far 0 71 0 - 7.9-34.4 HG2 LYS 39 - QD2 LEU 29 far 0 75 0 - 8.6-13.0 HG LEU 62 - QD2 LEU 86 far 0 100 0 - 8.6-36.0 HD3 LYS 39 - QD2 LEU 29 far 0 68 0 - 9.2-13.6 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 13 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 2.1-2.7 3.1=98, 1494/2.1=63...(22) HG2 ARG 26 - QD2 LEU 29 poor 15 60 50 49 3.3-6.1 3.7/5349=11, 3.0/5375=9...(11) HG3 ARG 84 - QD2 LEU 86 far 5 100 5 - 3.0-10.0 HG2 ARG 84 - QD2 LEU 86 far 0 100 0 - 4.3-10.3 HG2 ARG 17 - QD2 LEU 29 far 0 66 0 - 5.7-15.4 HG3 ARG 17 - QD2 LEU 29 far 0 64 0 - 6.1-15.5 HD3 LYS 32 - QD2 LEU 29 far 0 77 0 - 7.8-10.8 HB3 LEU 62 - QD2 LEU 86 far 0 97 0 - 7.9-34.4 HD2 LYS 32 - QD2 LEU 29 far 0 80 0 - 8.5-10.5 HD3 LYS 39 - QD2 LEU 29 far 0 74 0 - 9.2-13.6 HG2 ARG 71 - QD2 LEU 29 far 0 64 0 - 9.5-14.3 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 5 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 1.9-2.1 2.1=100 QG1 VAL 90 - QD2 LEU 86 far 0 96 0 - 4.7-12.8 QD1 LEU 62 - QD2 LEU 86 far 0 93 0 - 5.8-30.9 QG2 VAL 90 - QD2 LEU 86 far 0 97 0 - 6.3-12.7 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 4 assignments used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 91 - HA GLU 87 far 0 98 0 - 6.7-15.4 HB VAL 90 - HA GLU 87 far 0 95 0 - 8.5-10.6 HG2 ARG 66 - HA GLU 87 far 0 81 0 - 9.5-40.1 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 HB2 GLN 91 - HA GLU 87 far 0 97 0 - 6.9-15.6 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 2.2-4.2 4.0=100 HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-4.2 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 2.4-4.2 4.0=100 HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.2-4.2 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 4 assignments used, quality = 1.00: * H GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.2-3.9 4.0=100 H ALA 20 + HB3 GLU 19 OK 48 48 100 100 2.0-4.2 4.6=100 H GLY 18 - HB3 GLU 19 poor 10 68 35 41 3.9-7.3 3567/1.8=12, 4822/3.0=11...(8) H GLU 87 - HB3 GLN 91 far 0 91 0 - 5.7-16.8 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (4.32, 2.03, 30.25 ppm; 3.91 A): 2 out of 6 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 OK 26 93 60 46 4.1-6.6 395/4.0=25, 3568/1.8=10...(7) HA GLU 87 - HB3 GLN 91 far 0 91 0 - 6.7-15.4 HA ALA 16 - HB3 GLU 19 far 0 87 0 - 7.6-13.1 HA LEU 86 - HB3 GLN 91 far 0 80 0 - 7.9-18.7 HA PRO 34 - HB3 GLU 19 far 0 89 0 - 9.4-23.7 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 10 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 GLU 87 - HB3 GLN 91 far 0 91 0 - 6.2-16.2 HB2 GLN 91 - HB2 GLU 87 far 0 97 0 - 6.6-16.4 HB3 ARG 26 - HB3 GLU 19 far 0 53 0 - 7.7-15.2 HB VAL 41 - HB3 GLU 19 far 0 64 0 - 8.2-22.0 HB2 ARG 26 - HB3 GLU 19 far 0 50 0 - 8.4-14.8 HG12 ILE 40 - HB3 GLU 19 far 0 89 0 - 8.9-20.2 HB2 MET 31 - HB3 GLU 19 far 0 50 0 - 9.1-20.2 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 6 assignments used, quality = 1.00: HG3 GLU 87 + HB2 GLU 87 OK 81 100 100 81 2.3-3.0 3.0=73, 1.8/3575=11...(10) * HG2 GLU 87 + HB2 GLU 87 OK 81 100 100 81 2.3-3.0 3.0=73, 1.8/3575=11...(10) HG3 GLU 19 + HB3 GLU 19 OK 64 76 100 84 2.4-3.0 3.0=71, 1210/3.0=11...(13) HG2 GLU 19 + HB3 GLU 19 OK 64 76 100 84 2.3-3.0 3.0=71, 1210/3.0=11...(13) HG2 GLU 87 - HB3 GLN 91 far 0 91 0 - 8.2-17.6 HG3 GLU 87 - HB3 GLN 91 far 0 91 0 - 8.4-17.2 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 6 assignments used, quality = 0.99: * HG3 GLU 87 + HB2 GLU 87 OK 79 100 100 79 2.3-3.0 3.0=71, 1.8/3575=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 79 100 100 79 2.3-3.0 3.0=71, 1.8/3575=11...(10) HG3 GLU 19 + HB3 GLU 19 OK 64 77 100 83 2.4-3.0 3.0=68, 1210/3.0=12...(13) HG2 GLU 19 + HB3 GLU 19 OK 64 77 100 83 2.3-3.0 3.0=68, 1210/3.0=12...(13) HG2 GLU 87 - HB3 GLN 91 far 0 91 0 - 8.2-17.6 HG3 GLU 87 - HB3 GLN 91 far 0 91 0 - 8.4-17.2 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (8.42, 1.91, 30.25 ppm; 4.55 A): 3 out of 8 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.5-3.6 4.0=100 H ALA 20 + HB2 GLU 19 OK 50 50 100 100 2.0-4.5 4.6=97, 4.6/493=53...(13) H GLY 18 + HB2 GLU 19 OK 24 70 50 68 3.9-6.9 4.6/493=53, 4822/3.0=10...(8) H GLU 87 - HB2 GLN 91 far 0 89 0 - 6.2-16.5 H GLY 18 - HB2 ARG 26 far 0 33 0 - 6.7-17.8 H ALA 20 - HB3 ARG 26 far 0 23 0 - 6.7-15.1 H GLY 18 - HB3 ARG 26 far 0 34 0 - 7.3-18.6 H ALA 20 - HB2 ARG 26 far 0 22 0 - 7.6-14.0 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 7 assignments used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 86 - HB3 GLU 87 poor 15 93 25 63 4.0-6.3 3.6/868=50, 3562/1.8=14...(6) HA GLU 87 - HB2 GLN 91 far 0 89 0 - 6.9-15.6 HA ALA 16 - HB2 GLU 19 far 0 90 0 - 8.0-11.9 HA LEU 86 - HB2 GLN 91 far 0 78 0 - 8.2-18.3 HA ALA 16 - HB3 ARG 26 far 0 47 0 - 9.4-20.7 HA PRO 34 - HB2 GLU 19 far 0 92 0 - 9.6-22.9 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 17 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 HB2 GLU 25 - HB2 GLU 19 far 0 66 0 - 3.7-10.5 HB2 GLU 25 - HB3 ARG 26 far 0 32 0 - 3.9-6.8 HB3 GLU 25 - HB2 GLU 19 far 0 64 0 - 4.4-10.3 HB2 GLU 25 - HB2 ARG 26 far 0 30 0 - 4.8-6.5 HB VAL 90 - HB2 GLN 91 far 0 80 0 - 4.9-7.1 HB3 GLU 25 - HB3 ARG 26 far 0 30 0 - 5.0-7.3 HB3 GLU 25 - HB2 ARG 26 far 0 29 0 - 5.1-6.6 HB3 GLN 91 - HB3 GLU 87 far 0 98 0 - 6.2-16.2 HB2 GLU 87 - HB2 GLN 91 far 0 89 0 - 6.6-16.4 HB VAL 90 - HB3 GLU 87 far 0 95 0 - 7.5-11.9 HB3 GLU 19 - HB3 ARG 26 far 0 46 0 - 7.7-15.2 HG2 ARG 66 - HB3 GLU 87 far 0 81 0 - 8.0-41.0 HB3 PRO 56 - HB2 GLN 91 far 0 89 0 - 8.0-64.1 HB3 GLU 19 - HB2 ARG 26 far 0 44 0 - 8.4-14.8 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 8 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 2.4-3.0 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 2.5-3.0 3.0=100 HG3 GLU 87 - HB2 GLN 91 far 0 88 0 - 8.9-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 89 0 - 9.0-17.1 HG3 GLU 19 - HB3 ARG 26 far 0 39 0 - 9.5-15.0 HG3 GLU 50 - HB3 GLU 87 far 0 99 0 - 9.7-51.0 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 8 assignments used, quality = 1.00: * HG3 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.4-3.0 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 2.5-3.0 3.0=100 HG3 GLU 87 - HB2 GLN 91 far 0 89 0 - 8.9-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 88 0 - 9.0-17.1 HG3 GLU 19 - HB3 ARG 26 far 0 40 0 - 9.5-15.0 HG3 GLU 50 - HB3 GLU 87 far 0 98 0 - 9.7-51.0 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 6 out of 21 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 81 96 100 84 2.3-2.5 3.0=66, 1.8/2196=26...(7) HB3 GLU 50 + HG3 GLU 50 OK 80 96 100 84 2.6-3.0 3.0=66, 1.8/2196=27...(6) HB2 GLU 87 + HG3 GLU 87 OK 77 100 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) * HB2 GLU 87 + HG2 GLU 87 OK 77 100 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) HB3 GLU 19 + HG3 GLU 19 OK 72 88 100 82 2.4-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 19 + HG2 GLU 19 OK 72 88 100 82 2.3-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 4.9-11.3 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 87 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 94 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 98 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 95 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 98 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 98 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 98 0 - 8.6-52.8 HB3 MET 11 - HG3 GLU 50 far 0 68 0 - 9.2-46.8 HB2 GLU 50 - HG2 GLU 87 far 0 98 0 - 9.4-50.8 HG2 ARG 66 - HG2 GLU 87 far 0 81 0 - 9.8-41.4 HB2 GLU 50 - HG3 GLU 87 far 0 98 0 - 9.9-51.9 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 15 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 2.4-3.0 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 2.5-3.0 3.0=100 HB VAL 41 - HG3 GLU 19 far 0 65 0 - 8.8-23.7 HB VAL 41 - HG2 GLU 19 far 0 65 0 - 8.9-23.3 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 8.9-16.5 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.0-17.1 HG12 ILE 40 - HG3 GLU 19 far 0 90 0 - 9.4-21.2 HB3 PRO 14 - HG2 GLU 19 far 0 67 0 - 9.5-20.0 HB3 ARG 26 - HG3 GLU 19 far 0 53 0 - 9.5-15.0 HB3 GLU 87 - HG3 GLU 50 far 0 99 0 - 9.7-51.0 HB2 MET 11 - HG3 GLU 50 far 0 72 0 - 9.7-46.3 HB3 PRO 14 - HG3 GLU 19 far 0 67 0 - 9.8-19.6 HG12 ILE 40 - HG2 GLU 19 far 0 90 0 - 9.8-21.3 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): 5 out of 7 assignments used, quality = 1.00: * H GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.1-5.0 4.8=100 H GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.1-5.2 4.8=100 H ALA 20 + HG3 GLU 19 OK 48 50 100 97 2.3-5.5 29/3.0=49, 3.6/1210=39...(12) H ALA 20 + HG2 GLU 19 OK 48 50 100 96 2.1-4.9 29/3.0=49, 3.6/1211=39...(11) H GLY 18 + HG2 GLU 19 OK 21 71 55 53 3.7-8.0 4.6/495=29, 3567/3.0=11...(6) H GLY 18 - HG3 GLU 19 poor 18 71 50 52 3.7-8.2 4.6/495=29, 3567/3.0=11...(6) H GLU 87 - HG3 GLU 50 far 0 98 0 - 9.1-50.9 Violated in 0 structures by 0.00 A. Peak 3581 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 6 out of 21 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 80 95 100 84 2.3-2.5 3.0=66, 1.8/2196=26...(7) HB3 GLU 50 + HG3 GLU 50 OK 79 95 100 84 2.6-3.0 3.0=66, 1.8/2196=26...(6) * HB2 GLU 87 + HG3 GLU 87 OK 77 100 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 77 100 100 77 2.3-3.0 3.0=66, 3566/1.8=17...(8) HB3 GLU 19 + HG3 GLU 19 OK 73 89 100 82 2.4-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 19 + HG2 GLU 19 OK 73 89 100 82 2.3-3.0 3.0=64, 1222/1.8=18...(11) HB3 GLU 25 - HG3 GLU 19 far 0 64 0 - 4.9-11.3 HB2 GLU 25 - HG3 GLU 19 far 0 66 0 - 5.2-11.5 HB2 GLU 25 - HG2 GLU 19 far 0 66 0 - 5.9-11.6 HB3 GLU 25 - HG2 GLU 19 far 0 64 0 - 6.3-11.3 HG2 PRO 44 - HG3 GLU 50 far 0 86 0 - 7.0-8.2 HB VAL 90 - HG3 GLU 87 far 0 95 0 - 7.3-12.3 HB3 GLN 91 - HG2 GLU 87 far 0 98 0 - 8.2-17.6 HB VAL 90 - HG2 GLU 87 far 0 94 0 - 8.2-12.7 HB3 GLU 50 - HG2 GLU 87 far 0 98 0 - 8.3-51.9 HB3 GLN 91 - HG3 GLU 87 far 0 98 0 - 8.4-17.2 HB3 GLU 50 - HG3 GLU 87 far 0 98 0 - 8.6-52.8 HB3 MET 11 - HG3 GLU 50 far 0 67 0 - 9.2-46.8 HB2 GLU 50 - HG2 GLU 87 far 0 98 0 - 9.4-50.8 HG2 ARG 66 - HG2 GLU 87 far 0 81 0 - 9.8-41.4 HB2 GLU 50 - HG3 GLU 87 far 0 98 0 - 9.9-51.9 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 15 assignments used, quality = 1.00: * HB3 GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.4-3.0 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 2.5-3.0 3.0=100 HB VAL 41 - HG3 GLU 19 far 0 66 0 - 8.8-23.7 HB VAL 41 - HG2 GLU 19 far 0 66 0 - 8.9-23.3 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 8.9-16.5 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.0-17.1 HG12 ILE 40 - HG3 GLU 19 far 0 91 0 - 9.4-21.2 HB3 PRO 14 - HG2 GLU 19 far 0 69 0 - 9.5-20.0 HB3 ARG 26 - HG3 GLU 19 far 0 55 0 - 9.5-15.0 HB3 GLU 87 - HG3 GLU 50 far 0 98 0 - 9.7-51.0 HB2 MET 11 - HG3 GLU 50 far 0 72 0 - 9.7-46.3 HB3 PRO 14 - HG3 GLU 19 far 0 69 0 - 9.8-19.6 HG12 ILE 40 - HG2 GLU 19 far 0 91 0 - 9.8-21.3 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 2.4-3.0 3.0=100 HA GLN 91 - HA THR 88 far 0 93 0 - 5.9-11.1 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 37 100 50 75 3.4-6.0 4.5/408=51, 2.1/5904=35...(5) 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 2.6-3.9 3.9=100 H LYS 85 - HB THR 88 far 0 68 0 - 8.7-13.9 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 2 assignments used, quality = 0.95: * HA THR 88 + HB THR 88 OK 95 100 100 95 2.4-3.0 3.0=93, 408/409=29 HA LEU 86 - HB THR 88 far 0 78 0 - 5.3-9.2 Violated in 2 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 10 100 10 - 4.4-7.2 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 - 4.1-7.6 HA SER 60 - QG2 THR 88 far 0 100 0 - 7.9-40.0 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 - 4.6-10.5 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 2 assignments used, quality = 1.00: * H ILE 89 + HA ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 57 - HA ILE 89 far 0 78 0 - 9.2-54.7 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 - 8.1-13.2 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 2.2-2.5 3.2=100 QD2 LEU 86 - HA ILE 89 far 5 98 5 - 3.8-10.9 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 47 100 55 85 3.8-5.7 ~409=45, 879/3.0=39...(5) 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 2.8-4.2 4.0=100 HG3 LYS 85 - HA ILE 89 far 0 93 0 - 9.0-16.0 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 4 78 5 - 3.8-10.9 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 2 assignments used, quality = 1.00: * H ILE 89 + HB ILE 89 OK 100 100 100 100 2.5-3.7 4.0=100 H LEU 57 - HB ILE 89 far 0 78 0 - 7.6-55.7 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 3 assignments used, quality = 1.00: * HA ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 53 - HB ILE 89 far 0 99 0 - 4.9-58.1 HA ARG 84 - HB ILE 89 far 0 92 0 - 9.6-19.2 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 - 5.9-12.1 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 2 assignments used, quality = 1.00: * HG13 ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-2.6 2.9=100 HB3 LEU 57 - HB ILE 89 far 0 60 0 - 9.3-52.5 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 2.2-3.2 3.2=100 QD2 LEU 86 - HB ILE 89 far 0 78 0 - 5.9-12.1 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 3 assignments used, quality = 1.00: * HA ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.2-2.5 3.2=100 HA ALA 53 - QG2 ILE 89 far 5 99 5 - 4.6-46.9 HA ARG 84 - QG2 ILE 89 far 0 92 0 - 8.2-15.6 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 - 8.2-12.9 HB3 ARG 84 - QG2 ILE 89 far 0 81 0 - 9.2-17.4 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 2.1-3.2 3.2=100 QG2 THR 88 - QG2 ILE 89 poor 20 100 20 - 3.3-6.4 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 3 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 - 7.5-14.4 HB3 LEU 57 - QG2 ILE 89 far 0 60 0 - 7.9-45.5 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 1.9-2.3 3635=100, ~3635=8, 5268/4.0=4 QD2 LEU 86 - QG2 ILE 89 far 0 78 0 - 4.7-10.2 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 3 assignments used, quality = 1.00: * H ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.0-4.2 4.5=100 H LEU 57 - HG12 ILE 89 far 0 78 0 - 9.1-54.9 H ARG 84 - HG12 ILE 89 far 0 68 0 - 9.8-21.2 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 3 assignments used, quality = 1.00: * HA ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.6-3.8 4.0=100 HA ALA 53 - HG12 ILE 89 far 0 99 0 - 7.3-57.3 HA ARG 84 - HG12 ILE 89 far 0 92 0 - 7.4-19.4 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 3 assignments used, quality = 1.00: * HB ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 85 - HG12 ILE 89 far 0 81 0 - 7.6-15.8 HB3 ARG 84 - HG12 ILE 89 far 0 81 0 - 8.9-19.5 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 2.1-3.2 3.2=100 QD2 LEU 86 - HG12 ILE 89 far 5 98 5 - 4.6-12.5 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 2 assignments used, quality = 1.00: * HG13 ILE 89 + HG12 ILE 89 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 85 - HG12 ILE 89 far 0 93 0 - 7.8-18.3 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 4 78 5 - 4.6-12.5 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 6 assignments used, quality = 1.00: * H ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.5-4.0 4.5=100 H ARG 27 - HG12 ILE 33 far 0 97 0 - 7.1-7.9 H LEU 57 - HG13 ILE 89 far 0 78 0 - 8.7-55.9 H GLU 25 - HG12 ILE 33 far 0 58 0 - 9.0-10.6 H ARG 84 - HG13 ILE 89 far 0 68 0 - 9.5-21.4 H LEU 57 - HG12 ILE 33 far 0 74 0 - 9.5-10.4 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 4 assignments used, quality = 1.00: * HA ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.8-4.2 4.0=100 HA LEU 29 + HG12 ILE 33 OK 75 94 100 80 4.6-5.4 5179/574=63, 5526/88=25...(4) HA ALA 53 - HG13 ILE 89 far 0 99 0 - 7.0-58.3 HA ARG 84 - HG13 ILE 89 far 0 92 0 - 7.3-19.4 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 5 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 - 6.1-7.8 HB2 LYS 85 - HG13 ILE 89 far 0 81 0 - 8.0-16.4 HB2 ARG 17 - HG12 ILE 33 far 0 86 0 - 8.1-22.9 HB3 ARG 84 - HG13 ILE 89 far 0 81 0 - 8.5-19.4 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 2.5-3.3 6122/2.1=72, 5029=51...(20) QD2 LEU 86 - HG13 ILE 89 far 5 98 5 - 4.4-12.1 QD2 LEU 29 - HG12 ILE 33 far 0 97 0 - 5.3-7.7 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 - 3.8-6.9 QG2 THR 37 - HG12 ILE 33 far 0 56 0 - 5.1-8.1 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 4 78 5 - 4.4-12.1 QG2 ILE 68 - HG12 ILE 33 far 0 98 0 - 6.6-8.6 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 3 assignments used, quality = 1.00: * HA ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.0-4.2 4.2=100 HA ARG 84 - QD1 ILE 89 far 0 92 0 - 5.7-17.1 HA ALA 53 - QD1 ILE 89 far 0 99 0 - 7.1-49.5 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 3 assignments used, quality = 1.00: * HB ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.2-3.2 3.2=100 HB3 ARG 84 - QD1 ILE 89 far 0 81 0 - 7.1-16.1 HB2 LYS 85 - QD1 ILE 89 far 0 81 0 - 7.7-12.9 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 1.9-2.3 3617=100, ~3617=8, 4.0/5268=4 QD2 LEU 86 - QD1 ILE 89 far 0 98 0 - 5.2-10.7 Violated in 0 structures by 0.00 A. Peak 3636 from cnoeabs.peaks (1.14, 0.81, 12.46 ppm; 3.81 A): 2 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 OK 27 100 45 60 2.1-6.2 3.2/5904=33, 879/4.9=18...(5) 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 - 6.0-14.5 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 2 assignments used, quality = 1.00: * H VAL 90 + HA VAL 90 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 86 - HA VAL 90 far 0 100 0 - 9.9-15.4 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 4 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 74 78 100 95 4.4-5.7 3.6/419=94, ~3662=10, ~5923=5 HB2 GLU 87 - HA VAL 90 far 0 95 0 - 6.8-12.0 HB3 PRO 56 - HA VAL 90 far 0 95 0 - 8.8-60.6 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 2.3-3.2 3.2=100 QG2 VAL 90 + HA VAL 90 OK 100 100 100 100 2.1-2.4 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 96 0 - 7.0-12.1 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 2.1-2.4 3.2=100 QG1 VAL 90 + HA VAL 90 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 97 0 - 7.0-12.1 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 5 assignments used, quality = 1.00: * H VAL 90 + HB VAL 90 OK 100 100 100 100 2.7-3.6 3.9=100 H ALA 12 + HB3 MET 11 OK 35 35 100 100 2.0-4.0 4.1=100 H LYS 13 - HB3 MET 11 far 3 63 5 - 2.8-7.7 H ASN 80 - HB VAL 76 far 0 54 0 - 6.3-12.1 H LEU 86 - HB VAL 90 far 0 100 0 - 8.5-15.7 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 3 68 5 - 6.4-15.3 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 - 5.3-12.5 QD1 LEU 29 - HB3 MET 11 far 0 47 0 - 9.3-24.5 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 - 5.3-12.5 QD1 LEU 29 - HB3 MET 11 far 0 49 0 - 9.3-24.5 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (8.27, 0.90, 20.53 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.0-4.0 4.0=100 H VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.6-4.0 4.0=100 H ASN 80 - QG2 VAL 76 far 9 60 15 - 3.6-10.3 H ASN 80 - QG1 VAL 76 far 0 63 0 - 5.3-11.6 H LEU 86 - QG1 VAL 90 far 0 100 0 - 7.9-14.4 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.6-13.7 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 2.3-3.2 3.2=100 HA VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.4 3.2=100 HA ARG 71 - QG1 VAL 76 far 4 78 5 - 3.6-11.4 HA ARG 71 - QG2 VAL 76 far 0 74 0 - 5.9-12.6 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 20 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 91 - QG2 VAL 90 far 12 78 15 - 3.5-7.1 HB3 GLN 91 - QG1 VAL 90 far 8 78 10 - 3.7-6.1 HB3 GLN 79 - QG1 VAL 76 far 3 50 5 - 3.6-10.9 HB3 GLN 79 - QG2 VAL 76 far 2 47 5 - 4.0-10.6 HD3 ARG 69 - QG2 VAL 76 far 0 67 0 - 5.3-14.7 HB2 GLU 87 - QG2 VAL 90 far 0 94 0 - 5.3-11.4 HD3 ARG 69 - QG1 VAL 76 far 0 71 0 - 5.4-13.8 HD2 ARG 69 - QG1 VAL 76 far 0 71 0 - 5.7-13.0 HD2 ARG 69 - QG2 VAL 76 far 0 67 0 - 5.9-14.7 HB2 GLU 87 - QG1 VAL 90 far 0 95 0 - 7.1-11.5 HB3 PRO 56 - QG1 VAL 90 far 0 95 0 - 7.4-51.3 HB3 PRO 56 - QG2 VAL 90 far 0 94 0 - 8.7-51.0 HG2 ARG 66 - QG2 VAL 76 far 0 71 0 - 9.0-18.4 HB3 GLU 50 - QG2 VAL 90 far 0 78 0 - 9.1-51.3 HG2 PRO 44 - QG2 VAL 76 far 0 38 0 - 9.4-20.6 HG2 PRO 56 - QG1 VAL 90 far 0 85 0 - 9.7-51.5 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): 2 out of 6 assignments used, quality = 1.00: H VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.0-4.0 4.0=100 * H VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.6-4.0 4.0=100 H ASN 80 - QG2 VAL 76 far 9 58 15 - 3.6-10.3 H ASN 80 - QG1 VAL 76 far 0 61 0 - 5.3-11.6 H LEU 86 - QG1 VAL 90 far 0 100 0 - 7.9-14.4 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.6-13.7 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 2.1-2.4 3.2=100 HA VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.3-3.2 3.2=100 HA ARG 71 - QG1 VAL 76 far 4 76 5 - 3.6-11.4 HA ARG 71 - QG2 VAL 76 far 0 72 0 - 5.9-12.6 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 20 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 91 - QG2 VAL 90 far 12 78 15 - 3.5-7.1 HB3 GLN 91 - QG1 VAL 90 far 8 78 10 - 3.7-6.1 HB3 GLN 79 - QG1 VAL 76 far 2 48 5 - 3.6-10.9 HB3 GLN 79 - QG2 VAL 76 far 2 45 5 - 4.0-10.6 HD3 ARG 69 - QG2 VAL 76 far 0 65 0 - 5.3-14.7 HB2 GLU 87 - QG2 VAL 90 far 0 95 0 - 5.3-11.4 HD3 ARG 69 - QG1 VAL 76 far 0 68 0 - 5.4-13.8 HD2 ARG 69 - QG1 VAL 76 far 0 68 0 - 5.7-13.0 HD2 ARG 69 - QG2 VAL 76 far 0 65 0 - 5.9-14.7 HB2 GLU 87 - QG1 VAL 90 far 0 94 0 - 7.1-11.5 HB3 PRO 56 - QG1 VAL 90 far 0 94 0 - 7.4-51.3 HB3 PRO 56 - QG2 VAL 90 far 0 95 0 - 8.7-51.0 HG2 ARG 66 - QG2 VAL 76 far 0 69 0 - 9.0-18.4 HB3 GLU 50 - QG2 VAL 90 far 0 78 0 - 9.1-51.3 HG2 PRO 44 - QG2 VAL 76 far 0 36 0 - 9.4-20.6 HG2 PRO 56 - QG1 VAL 90 far 0 85 0 - 9.7-51.5 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 2.8-2.9 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 2 assignments used, quality = 1.00: * HB2 GLN 91 + HA GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 - HA GLN 91 far 0 97 0 - 6.7-14.9 Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (2.04, 4.13, 57.16 ppm; 4.44 A): 2 out of 5 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 OK 26 78 50 67 4.6-6.1 ~419=39, ~4044=38, ~3641=12 HB3 PRO 56 - HA GLN 91 far 5 98 5 - 5.2-64.8 HB2 GLU 87 - HA GLN 91 far 0 98 0 - 6.2-15.6 HG2 PRO 56 - HA GLN 91 far 0 100 0 - 8.2-65.1 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 2.2-3.6 3.6=100 H GLN 91 - HB3 GLU 87 far 0 89 0 - 7.2-13.9 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 9 assignments used, quality = 1.00: * HA GLN 91 + HB2 GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 29 - HB2 GLU 19 far 1 29 5 - 4.6-17.1 HB THR 88 - HB2 GLN 91 far 0 93 0 - 5.2-11.8 HB THR 88 - HB3 GLU 87 far 0 78 0 - 5.5-7.5 HA GLN 91 - HB3 GLU 87 far 0 89 0 - 6.7-14.9 HA ALA 30 - HB2 GLU 19 far 0 54 0 - 7.6-19.4 HA LEU 29 - HB3 PRO 34 far 0 39 0 - 8.5-11.0 HA ARG 23 - HB2 GLU 19 far 0 52 0 - 9.3-15.4 HA ARG 27 - HB2 GLU 19 far 0 41 0 - 9.5-17.1 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 13 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 HB2 GLU 25 - HB2 GLU 19 far 0 47 0 - 3.7-10.5 HG2 PRO 56 - HB3 PRO 34 far 0 70 0 - 4.0-6.0 HB3 GLU 25 - HB2 GLU 19 far 0 46 0 - 4.4-10.3 HB VAL 90 - HB2 GLN 91 far 0 78 0 - 4.9-7.1 HB3 GLN 91 - HB3 GLU 87 far 0 89 0 - 6.2-16.2 HB2 GLU 87 - HB2 GLN 91 far 0 98 0 - 6.6-16.4 HB3 PRO 56 - HB3 PRO 34 far 0 67 0 - 6.8-8.4 HB VAL 90 - HB3 GLU 87 far 0 63 0 - 7.5-11.9 HB3 PRO 56 - HB2 GLN 91 far 0 98 0 - 8.0-64.1 HB3 MET 31 - HB3 PRO 34 far 0 34 0 - 8.9-10.7 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 8 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 4 80 5 - 5.1-7.8 HA LEU 29 - HB3 GLU 19 far 2 34 5 - 5.2-17.8 HA GLN 91 - HB2 GLU 87 far 0 91 0 - 6.2-15.6 HB THR 88 - HB3 GLN 91 far 0 93 0 - 6.2-12.9 HA ALA 30 - HB3 GLU 19 far 0 62 0 - 8.4-19.5 HA ARG 23 - HB3 GLU 19 far 0 60 0 - 9.3-14.0 HA ARG 27 - HB3 GLU 19 far 0 48 0 - 9.6-17.2 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 9 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 GLU 87 - HB3 GLN 91 far 0 97 0 - 6.2-16.2 HB2 GLN 91 - HB2 GLU 87 far 0 91 0 - 6.6-16.4 HB3 ARG 26 - HB3 GLU 19 far 0 51 0 - 7.7-15.2 HB2 ARG 26 - HB3 GLU 19 far 0 49 0 - 8.4-14.8 HG12 ILE 40 - HB3 GLU 19 far 0 59 0 - 8.9-20.2 HB2 ARG 66 - HB2 GLU 87 far 0 67 0 - 9.8-40.6 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 2.1-3.5 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 2.1-3.0 8=100, 471/3464=2 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 2.2-3.7 3.6=100 H ASN 80 - QB ALA 16 far 0 61 0 - 6.7-42.9 H LYS 13 - QB ALA 16 far 0 65 0 - 7.5-10.4 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 3 assignments used, quality = 1.00: * H THR 15 + HA PRO 14 OK 100 100 100 100 2.2-2.6 3.6=100 H GLN 79 - HA PRO 14 far 0 96 0 - 6.5-53.5 H ALA 77 - HA PRO 14 far 0 78 0 - 9.5-46.5 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 2.1-3.6 3.6=100 H ARG 17 - HA THR 15 far 11 76 15 - 3.8-6.6 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 2 assignments used, quality = 1.00: * H ALA 16 + QG2 THR 15 OK 100 100 100 100 1.9-4.1 4.2=100 H ARG 17 - QG2 THR 15 lone 2 76 100 3 2.0-7.1 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 3 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 2.3-2.9 2.9=100 H GLY 18 - HA ALA 16 far 4 73 5 - 4.2-6.6 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 14 assignments used, quality = 1.00: * H ARG 17 + QB ALA 16 OK 100 100 100 100 2.1-3.7 3.6=100 H ALA 16 + QB ALA 16 OK 76 76 100 100 2.1-2.9 2.9=100 H GLY 21 + QB ALA 20 OK 51 51 100 100 2.0-3.0 3.6=100 H GLY 18 - QB ALA 16 poor 15 73 20 - 3.5-6.3 H GLY 18 - QB ALA 77 far 2 39 5 - 4.2-31.1 H GLY 18 - QB ALA 20 far 2 33 5 - 4.2-8.2 H ARG 17 - QB ALA 20 far 0 55 0 - 5.1-11.4 H GLY 21 - QB ALA 77 far 0 59 0 - 5.2-24.7 H ALA 16 - QB ALA 20 far 0 35 0 - 6.1-14.3 H GLY 21 - QB ALA 16 far 0 98 0 - 6.5-14.1 H ARG 17 - QB ALA 77 far 0 63 0 - 6.6-32.8 H ALA 16 - QB ALA 77 far 0 41 0 - 7.5-36.0 H ALA 16 - QB ALA 12 far 0 42 0 - 8.0-11.2 H VAL 65 - QB ALA 77 far 0 61 0 - 9.5-19.8 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 6 assignments used, quality = 1.00: * H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.2-3.5 3.6=100 H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.1-3.6 3.6=100 H ASP 24 - HA3 GLY 21 far 6 58 10 - 4.0-8.9 H ASP 24 - HA2 GLY 21 far 6 56 10 - 3.5-8.8 H GLU 19 - HA2 GLY 21 far 0 65 0 - 6.4-9.2 H GLU 19 - HA3 GLY 21 far 0 67 0 - 6.7-9.2 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 6 assignments used, quality = 1.00: * H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.1-3.6 3.6=100 H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.2-3.5 3.6=100 H ASP 24 - HA3 GLY 21 far 6 60 10 - 4.0-8.9 H ASP 24 - HA2 GLY 21 far 6 58 10 - 3.5-8.8 H GLU 19 - HA2 GLY 21 far 0 67 0 - 6.4-9.2 H GLU 19 - HA3 GLY 21 far 0 70 0 - 6.7-9.2 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 ALA 20 - HA ARG 17 far 4 80 5 - 4.7-10.1 H GLU 87 - HA LYS 85 far 4 26 15 - 3.3-6.7 H GLU 87 - HA LYS 83 far 0 50 0 - 9.0-13.3 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 4 assignments used, quality = 1.00: * H ALA 20 + HB2 GLU 19 OK 100 100 100 100 2.0-4.5 4.6=100 H GLU 87 + HB3 GLU 87 OK 50 50 100 100 2.5-3.6 4.0=100 H GLU 87 - HB2 GLN 91 far 0 26 0 - 6.2-16.5 H ALA 20 - HB3 ARG 26 far 0 59 0 - 6.7-15.1 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 3 assignments used, quality = 1.00: * H ALA 20 + HB3 GLU 19 OK 100 100 100 100 2.0-4.2 4.6=100 H GLU 87 + HB2 GLU 87 OK 48 48 100 100 2.2-3.9 4.0=100 H GLU 87 - HB3 GLN 91 far 2 30 5 - 5.7-16.8 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 7 assignments used, quality = 1.00: * H ALA 20 + HG3 GLU 19 OK 100 100 100 100 2.3-5.5 29/3.0=88, 31=50...(12) H ALA 20 + HG2 GLU 19 OK 100 100 100 100 2.1-4.9 29/3.0=88, 30=50...(11) H GLU 87 + HG3 GLU 87 OK 50 50 100 100 2.1-5.0 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 poor 12 62 20 - 4.8-9.1 H GLU 87 - HG3 GLU 50 far 0 37 0 - 9.1-50.9 H ILE 68 - HG2 GLU 25 far 0 52 0 - 9.2-12.5 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 6 assignments used, quality = 1.00: * H GLY 21 + HA ALA 20 OK 100 100 100 100 2.2-3.6 3.6=100 H GLY 18 - HA ALA 77 far 2 40 5 - 4.3-37.3 H GLY 18 - HA ALA 20 far 0 92 0 - 6.0-8.7 H ARG 17 - HA ALA 77 far 0 46 0 - 6.9-39.5 H ARG 17 - HA ALA 20 far 0 98 0 - 7.4-12.1 H GLY 21 - HA ALA 77 far 0 49 0 - 8.0-30.4 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 13 assignments used, quality = 1.00: * H GLY 21 + QB ALA 20 OK 100 100 100 100 2.0-3.0 3.6=100 H ARG 17 + QB ALA 16 OK 51 51 100 100 2.1-3.7 3.6=100 H GLY 18 - QB ALA 16 poor 11 45 25 - 3.5-6.3 H GLY 21 - QB ALA 77 far 5 100 5 - 5.2-24.7 H ARG 17 - QB ALA 20 far 5 98 5 - 5.1-11.4 H ARG 17 - QB ALA 78 far 5 92 5 - 4.7-35.7 H GLY 18 - QB ALA 20 far 5 92 5 - 4.2-8.2 H GLY 18 - QB ALA 77 far 5 91 5 - 4.2-31.1 H GLY 18 - QB ALA 78 far 4 85 5 - 4.1-33.6 H GLY 21 - QB ALA 16 far 0 55 0 - 6.5-14.1 H ARG 17 - QB ALA 77 far 0 98 0 - 6.6-32.8 H GLY 21 - QB ALA 78 far 0 96 0 - 8.8-27.8 H VAL 65 - QB ALA 77 far 0 100 0 - 9.5-19.8 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 20 assignments used, quality = 1.00: * H SER 22 + HA2 GLY 21 OK 100 100 100 100 2.1-3.5 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 15 97 15 - 4.6-7.6 H GLU 25 - HA2 GLY 21 far 5 97 5 - 4.8-7.4 H ALA 77 - HA2 GLY 18 far 0 54 0 - 5.3-35.6 H ALA 77 - HA3 GLY 18 far 0 56 0 - 6.1-36.1 H ALA 28 - HA2 GLY 18 far 0 65 0 - 6.4-18.0 H GLN 79 - HA3 GLY 18 far 0 66 0 - 6.5-43.0 H ALA 28 - HA3 GLY 18 far 0 67 0 - 6.7-17.7 H GLN 79 - HA2 GLY 18 far 0 64 0 - 7.0-42.6 H SER 22 - HA3 GLY 18 far 0 67 0 - 7.0-13.5 H THR 15 - HA2 GLY 18 far 0 62 0 - 7.1-12.9 H ALA 77 - HA3 GLY 21 far 0 92 0 - 7.5-29.5 H THR 15 - HA3 GLY 18 far 0 65 0 - 7.6-12.4 H GLU 25 - HA2 GLY 18 far 0 60 0 - 7.6-14.9 H GLU 25 - HA3 GLY 18 far 0 62 0 - 7.8-14.8 H ALA 28 - HA3 GLY 21 far 0 100 0 - 7.9-11.4 H SER 22 - HA2 GLY 18 far 0 65 0 - 8.1-12.8 H ALA 28 - HA2 GLY 21 far 0 100 0 - 8.5-11.6 H ALA 77 - HA2 GLY 21 far 0 92 0 - 9.0-29.2 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 20 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 2.1-3.5 3.5=100 H GLU 25 - HA3 GLY 21 far 15 97 15 - 4.6-7.6 H GLU 25 - HA2 GLY 21 far 5 97 5 - 4.8-7.4 H ALA 77 - HA2 GLY 18 far 0 56 0 - 5.3-35.6 H ALA 77 - HA3 GLY 18 far 0 58 0 - 6.1-36.1 H ALA 28 - HA2 GLY 18 far 0 67 0 - 6.4-18.0 H GLN 79 - HA3 GLY 18 far 0 68 0 - 6.5-43.0 H ALA 28 - HA3 GLY 18 far 0 69 0 - 6.7-17.7 H GLN 79 - HA2 GLY 18 far 0 66 0 - 7.0-42.6 H SER 22 - HA3 GLY 18 far 0 70 0 - 7.0-13.5 H THR 15 - HA2 GLY 18 far 0 65 0 - 7.1-12.9 H ALA 77 - HA3 GLY 21 far 0 92 0 - 7.5-29.5 H THR 15 - HA3 GLY 18 far 0 67 0 - 7.6-12.4 H GLU 25 - HA2 GLY 18 far 0 62 0 - 7.6-14.9 H GLU 25 - HA3 GLY 18 far 0 65 0 - 7.8-14.8 H ALA 28 - HA3 GLY 21 far 0 100 0 - 7.9-11.4 H SER 22 - HA2 GLY 18 far 0 67 0 - 8.1-12.8 H ALA 28 - HA2 GLY 21 far 0 100 0 - 8.5-11.6 H ALA 77 - HA2 GLY 21 far 0 92 0 - 9.0-29.2 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 2.4-3.5 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 2.1-3.7 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 5 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 - 6.9-8.3 H GLU 19 - HA ARG 23 far 0 93 0 - 8.8-14.7 H ALA 16 - HA ARG 27 far 0 61 0 - 8.8-23.9 H GLU 19 - HA ARG 27 far 0 64 0 - 9.6-17.9 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.50 A): 3 out of 8 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 2.2-4.2 4.2=100 H ASP 24 + HB2 ARG 27 OK 24 83 40 74 4.5-6.8 3.0/4157=37, ~4157=13...(10) H ASP 24 - HB3 ARG 71 far 12 78 15 - 3.3-9.7 H ASP 24 - HB2 ARG 71 far 8 79 10 - 4.2-9.8 H ASP 24 - HB3 ARG 27 far 0 82 0 - 5.8-8.2 H GLU 19 - HB3 ARG 27 far 0 72 0 - 9.3-17.1 H GLU 19 - HB2 ARG 27 far 0 72 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.50 A): 3 out of 8 assignments used, quality = 1.00: * H ASP 24 + HB3 ARG 23 OK 100 100 100 100 2.2-4.2 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 OK 25 83 40 74 4.5-6.8 3.0/4157=38, ~4157=13...(10) H ASP 24 - HB3 ARG 71 far 12 79 15 - 3.3-9.7 H ASP 24 - HB2 ARG 71 far 8 79 10 - 4.2-9.8 H ASP 24 - HB3 ARG 27 far 0 83 0 - 5.8-8.2 H GLU 19 - HB3 ARG 27 far 0 72 0 - 9.3-17.1 H GLU 19 - HB2 ARG 27 far 0 73 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 3739 from cnoeabs.peaks (8.20, 4.49, 56.18 ppm; 3.76 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 25 + HA ASP 24 OK 100 100 100 100 3.4-3.6 3.6=100 H ARG 27 + HA ASP 24 OK 69 76 100 91 3.2-3.7 5383=53, 5380/4169=30...(12) H ALA 28 + HA ASP 24 OK 23 96 30 81 4.2-5.7 6057=40, 4.6/5383=33...(10) H SER 22 - HA ASP 24 far 0 97 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (8.20, 2.56, 40.55 ppm; 4.73 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 25 + HB2 ASP 24 OK 100 100 100 100 2.9-3.9 4.5=100 H ARG 27 + HB2 ASP 24 OK 58 76 95 80 4.5-5.8 5383/3.0=56...(8) H ALA 28 + HB2 ASP 24 OK 34 96 40 89 4.0-6.3 6057/3.0=60...(8) H SER 22 - HB2 ASP 24 far 0 97 0 - 6.0-8.0 H ALA 77 - HB2 ASP 24 far 0 71 0 - 9.8-21.5 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (8.20, 2.59, 40.55 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 25 + HB3 ASP 24 OK 100 100 100 100 2.4-3.9 4.5=100 H ARG 27 + HB3 ASP 24 OK 39 76 70 74 5.4-5.9 5383/3.0=58, 4.1/5506=14...(7) H SER 22 - HB3 ASP 24 lone 8 97 40 19 4.6-7.6 903/518=15, 5107/4835=3 H ALA 28 - HB3 ASP 24 far 5 96 5 - 5.4-7.2 H ALA 77 - HB3 ASP 24 far 0 71 0 - 8.6-21.5 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 8 assignments used, quality = 1.00: * H ARG 26 + HA GLU 25 OK 98 100 100 98 3.4-3.6 3.6=84, 904/2.9=45...(9) H ARG 26 + HA ARG 26 OK 79 79 100 100 2.8-2.9 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 14 70 20 - 3.5-8.0 H ARG 26 - HA ARG 27 far 0 56 0 - 5.1-5.3 H ALA 78 - HA ARG 71 far 0 78 0 - 6.5-17.6 H ARG 26 - HA ARG 71 far 0 93 0 - 9.4-15.9 H ARG 71 - HA GLU 25 far 0 71 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 3 out of 4 assignments used, quality = 1.00: * H ARG 26 + HB2 GLU 25 OK 99 100 100 99 2.1-4.0 4.7=58, 58/3.0=47...(12) H ARG 26 + HB3 GLU 25 OK 98 100 100 98 2.6-4.0 4.7=58, 58/3.0=47...(12) H LEU 57 + HB3 PRO 56 OK 40 40 100 100 3.9-4.7 4.0=94, 218/2.3=72...(7) H LYS 85 - HB3 GLU 50 far 0 44 0 - 10.0-45.6 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 3 out of 4 assignments used, quality = 1.00: H ARG 26 + HB2 GLU 25 OK 99 100 100 99 2.1-4.0 4.7=58, 58/3.0=47...(12) * H ARG 26 + HB3 GLU 25 OK 98 100 100 98 2.6-4.0 4.7=58, 58/3.0=47...(12) H LEU 57 + HB3 PRO 56 OK 39 39 100 100 3.9-4.7 4.0=94, 218/2.3=72...(7) H LYS 85 - HB3 GLU 50 far 0 43 0 - 10.0-45.6 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 5 assignments used, quality = 1.00: * H ARG 26 + HG3 GLU 25 OK 100 100 100 100 2.2-5.3 58/1.8=96, 3.6/1333=85...(7) H THR 88 - HG3 GLU 59 far 4 77 5 - 5.8-45.1 H ALA 78 - HG3 GLU 25 far 0 89 0 - 8.4-29.9 H LEU 57 - HG3 GLU 59 far 0 57 0 - 9.5-11.6 H ARG 71 - HG3 GLU 25 far 0 71 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (8.18, 4.07, 58.59 ppm; 4.06 A): 3 out of 7 assignments used, quality = 1.00: * H ARG 27 + HA ARG 26 OK 100 100 100 100 3.4-3.6 3.6=100 H ARG 27 + HA GLU 25 OK 74 79 100 93 3.7-4.9 5380/3.6=67, 61=40...(8) H GLU 25 + HA GLU 25 OK 53 53 100 100 2.8-2.8 2.9=100 H ASN 74 - HA ARG 71 poor 14 56 25 - 3.5-8.0 H GLU 25 - HA ARG 26 far 0 76 0 - 5.1-5.5 H GLU 25 - HA ARG 71 far 0 63 0 - 7.8-13.5 H ARG 27 - HA ARG 71 far 0 90 0 - 10.0-14.5 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 17 assignments used, quality = 1.00: H ARG 27 + HB3 ARG 26 OK 93 100 100 93 3.1-4.1 5380/3.9=48, 4.6=47...(9) * H ARG 27 + HB2 ARG 26 OK 90 100 100 90 2.3-4.1 5380/3.9=48, 4.6=47...(9) H ARG 27 + HB3 ARG 27 OK 55 56 100 98 2.9-3.6 4.1=69, 535/1.8=34...(20) H ARG 27 + HB2 ARG 27 OK 53 54 100 98 2.1-2.7 4.1=69, 535/1.8=34...(19) H ILE 89 - HB3 GLU 87 far 5 45 10 - 2.5-7.5 H GLU 25 - HB2 ARG 27 far 3 34 10 - 4.4-6.0 H GLU 25 - HB2 ARG 26 far 0 76 0 - 4.8-6.4 H GLU 25 - HB3 ARG 26 far 0 76 0 - 5.2-6.5 H ASN 74 - HB2 ARG 71 far 0 28 0 - 5.4-9.5 H GLU 25 - HB3 ARG 71 far 0 34 0 - 5.4-11.2 H ASN 74 - HB3 ARG 71 far 0 30 0 - 5.5-9.7 H GLU 25 - HB3 ARG 27 far 0 36 0 - 5.6-7.6 H GLU 25 - HB2 ARG 71 far 0 32 0 - 5.6-10.8 H ARG 84 - HB2 ARG 66 far 0 79 0 - 6.8-29.9 H ARG 84 - HB3 GLU 87 far 0 31 0 - 7.4-14.5 H ARG 27 - HB3 ARG 71 far 0 54 0 - 7.8-12.3 H ARG 27 - HB2 ARG 71 far 0 51 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (8.21, 4.12, 58.29 ppm; 3.46 A): 4 out of 9 assignments used, quality = 1.00: * H ALA 28 + HA ARG 27 OK 98 100 100 98 3.4-3.5 3.6=91, 71/3.0=27...(11) 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 47 56 100 84 3.1-3.7 2.9/4181=35, 69=33...(12) H GLU 25 + HA ARG 23 OK 31 67 75 61 3.6-4.9 50/3.6=33, 904/5345=30...(6) H SER 22 - HA GLU 25 far 0 56 0 - 4.7-7.5 H SER 22 - HA ARG 23 far 0 74 0 - 4.7-5.8 H GLU 25 - HA ARG 27 far 0 96 0 - 6.5-7.4 H ALA 28 - HA ARG 23 far 0 74 0 - 6.6-8.0 H SER 22 - HA ARG 27 far 0 100 0 - 8.5-11.6 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 34 assignments used, quality = 1.00: H ALA 28 + HB3 ARG 27 OK 96 100 100 96 2.9-4.1 4.3=59, 70/1.8=39...(15) * H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.5-3.8 4.3=59, 71/1.8=39...(13) H GLU 25 - HB2 ARG 27 far 10 96 10 - 4.4-6.0 H ALA 77 - HB2 ARG 71 far 5 94 5 - 4.5-17.2 H SER 22 - HB2 ARG 23 far 4 83 5 - 4.0-7.7 H GLU 25 - HB3 ARG 23 far 4 76 5 - 4.5-6.2 H SER 22 - HB3 ARG 23 far 0 83 0 - 4.5-7.6 H GLU 25 - HB2 ARG 23 far 0 75 0 - 4.7-6.0 H SER 22 - HB3 ARG 71 far 0 100 0 - 4.7-14.5 H ALA 28 - HB2 ARG 26 far 0 54 0 - 4.7-5.4 H GLU 25 - HB2 ARG 26 far 0 48 0 - 4.8-6.4 H SER 22 - HB2 ARG 26 far 0 54 0 - 4.8-9.3 H ALA 28 - HB3 ARG 26 far 0 52 0 - 5.1-5.9 H SER 22 - HB3 ARG 26 far 0 52 0 - 5.1-10.1 H GLU 25 - HB3 ARG 26 far 0 46 0 - 5.2-6.5 H ALA 77 - HB3 ARG 71 far 0 94 0 - 5.3-16.9 H GLU 25 - HB3 ARG 71 far 0 95 0 - 5.4-11.2 H GLU 25 - HB3 ARG 27 far 0 96 0 - 5.6-7.6 H GLU 25 - HB2 ARG 71 far 0 95 0 - 5.6-10.8 H SER 22 - HB2 ARG 71 far 0 100 0 - 6.0-14.3 H ALA 77 - HB2 ARG 66 far 0 51 0 - 6.2-18.4 H ARG 84 - HB2 ARG 66 far 0 50 0 - 6.8-29.9 H ALA 28 - HB2 ARG 23 far 0 83 0 - 7.3-9.8 H THR 15 - HB3 PRO 34 far 0 43 0 - 7.4-25.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.5-9.7 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.6-9.9 H ALA 28 - HB2 ARG 71 far 0 100 0 - 8.2-12.8 H ALA 28 - HB3 ARG 71 far 0 100 0 - 8.5-12.8 H GLN 79 - HB2 ARG 66 far 0 58 0 - 8.8-24.5 H SER 22 - HB3 ARG 27 far 0 100 0 - 9.2-11.6 H GLN 79 - HB3 ARG 71 far 0 100 0 - 9.2-24.2 H GLN 79 - HB2 ARG 71 far 0 100 0 - 9.3-24.4 H ALA 77 - HB2 ARG 23 far 0 74 0 - 9.3-25.6 H ALA 77 - HB3 ARG 23 far 0 74 0 - 9.5-25.8 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 34 assignments used, quality = 1.00: * H ALA 28 + HB3 ARG 27 OK 96 100 100 96 2.9-4.1 4.3=59, 70/1.8=39...(15) H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.5-3.8 4.3=59, 71/1.8=39...(13) H GLU 25 - HB2 ARG 27 far 10 96 10 - 4.4-6.0 H ALA 77 - HB2 ARG 71 far 5 94 5 - 4.5-17.2 H SER 22 - HB2 ARG 23 far 4 82 5 - 4.0-7.7 H GLU 25 - HB3 ARG 23 far 4 75 5 - 4.5-6.2 H SER 22 - HB3 ARG 23 far 0 83 0 - 4.5-7.6 H GLU 25 - HB2 ARG 23 far 0 74 0 - 4.7-6.0 H SER 22 - HB3 ARG 71 far 0 100 0 - 4.7-14.5 H ALA 28 - HB2 ARG 26 far 0 56 0 - 4.7-5.4 H GLU 25 - HB2 ARG 26 far 0 50 0 - 4.8-6.4 H SER 22 - HB2 ARG 26 far 0 56 0 - 4.8-9.3 H ALA 28 - HB3 ARG 26 far 0 54 0 - 5.1-5.9 H SER 22 - HB3 ARG 26 far 0 54 0 - 5.1-10.1 H GLU 25 - HB3 ARG 26 far 0 48 0 - 5.2-6.5 H ALA 77 - HB3 ARG 71 far 0 94 0 - 5.3-16.9 H GLU 25 - HB3 ARG 71 far 0 95 0 - 5.4-11.2 H GLU 25 - HB3 ARG 27 far 0 96 0 - 5.6-7.6 H GLU 25 - HB2 ARG 71 far 0 95 0 - 5.6-10.8 H SER 22 - HB2 ARG 71 far 0 100 0 - 6.0-14.3 H ALA 77 - HB2 ARG 66 far 0 53 0 - 6.2-18.4 H ARG 84 - HB2 ARG 66 far 0 52 0 - 6.8-29.9 H ALA 28 - HB2 ARG 23 far 0 82 0 - 7.3-9.8 H THR 15 - HB3 PRO 34 far 0 45 0 - 7.4-25.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.5-9.7 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.6-9.9 H ALA 28 - HB2 ARG 71 far 0 100 0 - 8.2-12.8 H ALA 28 - HB3 ARG 71 far 0 100 0 - 8.5-12.8 H GLN 79 - HB2 ARG 66 far 0 60 0 - 8.8-24.5 H SER 22 - HB3 ARG 27 far 0 100 0 - 9.2-11.6 H GLN 79 - HB3 ARG 71 far 0 100 0 - 9.2-24.2 H GLN 79 - HB2 ARG 71 far 0 100 0 - 9.3-24.4 H ALA 77 - HB2 ARG 23 far 0 73 0 - 9.3-25.6 H ALA 77 - HB3 ARG 23 far 0 74 0 - 9.5-25.8 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (8.21, 1.63, 27.31 ppm; 4.40 A): 3 out of 15 assignments used, quality = 0.99: H ALA 28 + HG3 ARG 27 OK 92 100 95 97 3.9-5.3 73=46, 69/3.8=42...(11) * H ALA 28 + HG2 ARG 27 OK 83 100 85 97 4.1-5.4 72=46, 69/3.8=42...(12) H GLU 25 + HG2 ARG 26 OK 40 82 60 83 4.5-6.2 904/529=48, 4833/3.0=39...(5) H SER 22 - HG2 ARG 26 poor 18 89 20 - 3.2-8.2 H GLU 25 - HG2 ARG 27 far 10 96 10 - 4.6-7.9 H GLU 25 - HG3 ARG 27 far 10 96 10 - 4.3-8.1 H GLN 79 - HG3 ARG 70 far 4 73 5 - 3.6-19.7 H THR 15 - HG3 ARG 17 far 0 79 0 - 5.4-10.1 H ALA 28 - HG2 ARG 26 far 0 89 0 - 5.9-6.9 H ALA 77 - HG3 ARG 70 far 0 64 0 - 5.9-14.1 H THR 15 - HG2 ARG 17 far 0 78 0 - 6.3-10.8 H SER 22 - HG3 ARG 27 far 0 100 0 - 7.6-12.5 H SER 22 - HG2 ARG 27 far 0 100 0 - 7.7-11.7 H SER 22 - HG3 ARG 70 far 0 73 0 - 9.4-19.4 H GLU 25 - HG3 ARG 70 far 0 66 0 - 9.4-16.4 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (7.95, 3.96, 54.22 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 29 + HA ALA 28 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 32 + HA ALA 28 OK 48 97 55 90 3.9-5.4 89/4182=39, 4.7/4176=37...(8) H ASP 67 - HA ALA 28 far 0 81 0 - 9.0-10.1 H ALA 63 - HA ALA 28 far 0 68 0 - 9.8-10.9 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 5 assignments used, quality = 1.00: * H LEU 29 + QB ALA 28 OK 100 100 100 100 2.4-2.8 78=100, 76/2.9=55...(10) H LYS 32 - QB ALA 28 far 0 97 0 - 4.6-5.6 H ASP 67 - QB ALA 28 far 0 81 0 - 7.9-9.2 H ARG 70 - QB ALA 28 far 0 100 0 - 9.3-10.8 H ALA 63 - QB ALA 28 far 0 68 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (7.98, 4.16, 56.71 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 30 + HA LEU 29 OK 100 100 100 100 3.5-3.6 3.6=92, 908/3.0=71...(13) H LYS 73 + HA LYS 73 OK 81 81 100 100 2.8-2.9 3.0=100 H VAL 76 - HA LYS 73 far 3 64 5 - 4.0-9.9 H GLY 72 - HA LYS 73 far 0 88 0 - 4.9-5.4 H ARG 69 - HA LYS 73 far 0 91 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (7.98, 1.72, 41.88 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + HB2 LEU 29 OK 100 100 100 100 2.6-3.7 81=96, 908/546=76...(15) Violated in 5 structures by 0.03 A. Peak 3765 from cnoeabs.peaks (7.98, 1.58, 41.88 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 30 + HB3 LEU 29 OK 100 100 100 100 3.9-4.0 82=85, 3764/1.8=70...(16) H ALA 63 + HB3 LEU 62 OK 98 98 100 100 2.5-3.4 257=96, 3907/1.8=74...(13) H ALA 63 - HB3 LEU 86 far 0 76 0 - 8.2-38.8 H ARG 69 - HB3 LEU 62 far 0 99 0 - 9.5-10.7 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 1.9-2.9 83=100, 908/548=90...(15) 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 4 assignments used, quality = 1.00: * H ALA 30 + QD1 LEU 29 OK 100 100 100 100 2.9-3.9 84=89, 83/2.1=86...(16) H ALA 63 + QD1 LEU 62 OK 98 98 100 100 4.6-4.8 260=93, 3907/3.1=80...(13) H ALA 63 - QD1 LEU 86 far 0 97 0 - 7.7-34.1 H ARG 69 - QD1 LEU 62 far 0 99 0 - 9.6-10.7 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 2 assignments used, quality = 1.00: * H ALA 30 + QD2 LEU 29 OK 100 100 100 100 3.6-4.0 83/2.1=91, 908/550=85...(22) H ALA 63 - QD2 LEU 86 far 0 86 0 - 9.7-33.8 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 3.3-3.5 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 2.7-3.3 3.6=100 H GLN 61 - QB ALA 30 far 0 71 0 - 8.7-11.0 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 3.2-3.4 3.6=100 H LEU 29 - HA MET 31 far 0 97 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (7.94, 1.94, 32.66 ppm; 4.85 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 32 + HB2 MET 31 OK 100 100 100 100 3.1-3.9 4.7=100 H LEU 29 + HB2 MET 31 OK 83 97 95 90 4.7-6.5 3.6/4176=61, 5525/556=58...(6) H ASP 67 - HB2 MET 31 far 0 97 0 - 9.6-10.6 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 5 assignments used, quality = 1.00: * H LYS 32 + HB3 MET 31 OK 100 100 100 100 3.3-4.2 4.7=77, 90/3.0=75...(10) H VAL 76 + HB VAL 76 OK 48 48 100 100 2.6-3.5 4.0=100 H LEU 29 - HB3 MET 31 far 5 97 5 - 4.8-7.1 H ARG 70 - HB VAL 76 far 0 58 0 - 7.4-15.6 H ASP 67 - HB3 MET 31 far 0 97 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (7.94, 2.63, 32.57 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 32 + HG2 MET 31 OK 100 100 100 100 4.5-5.5 4.9=98, 90/1543=78...(11) H LEU 29 - HG2 MET 31 poor 19 97 20 - 5.4-6.9 H ASP 67 - HG2 MET 31 far 0 97 0 - 8.8-10.9 Violated in 8 structures by 0.11 A. Peak 3775 from cnoeabs.peaks (7.94, 2.52, 32.57 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 32 + HG3 MET 31 OK 100 100 100 100 4.2-5.6 4.9=100 H LEU 29 + HG3 MET 31 OK 22 97 25 92 5.1-6.7 5525/559=53...(7) H ASP 67 - HG3 MET 31 far 0 97 0 - 8.4-10.7 Violated in 15 structures by 0.12 A. Peak 3776 from cnoeabs.peaks (7.91, 3.98, 56.13 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.83: * H ILE 33 + HA LYS 32 OK 83 100 100 83 2.2-3.1 3.6=66, 99/1558=28...(7) Violated in 2 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 3.8-4.7 4.3=100 H ILE 33 + HB3 LYS 32 OK 100 100 100 100 4.0-4.5 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.7-7.6 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 3.8-4.7 4.3=100 * H ILE 33 + HB3 LYS 32 OK 100 100 100 100 4.0-4.5 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (7.91, 1.28, 24.60 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + HG2 LYS 32 OK 100 100 100 100 4.0-4.7 99=100, 3776/1558=75...(5) Violated in 13 structures by 0.12 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 2.9-3.0 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 5.1-5.4 109/1.8=100, 110/2.3=99...(11) 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 2.3-2.5 112=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 2.3-3.0 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 3.3-3.7 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 4.2-4.7 115=100, 112/3.8=88...(5) H THR 37 + HG3 PRO 36 OK 100 100 100 100 4.8-5.4 115/1.8=97, 112/3.8=88...(4) 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 4.2-4.7 115=100, 112/3.8=88...(5) * H THR 37 + HG3 PRO 36 OK 100 100 100 100 4.8-5.4 115/1.8=97, 112/3.8=88...(4) 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 3.9-4.1 121=100, 119/3.8=58...(5) 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 1.8-3.6 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 3.4-3.6 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 2.5-4.0 4.7=100 H LYS 39 + HB3 ASP 38 OK 100 100 100 100 2.2-4.1 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 2.2-4.1 4.7=100 H LYS 39 + HB2 ASP 38 OK 100 100 100 100 2.5-4.0 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 3 assignments used, quality = 1.00: * H ILE 40 + HA LYS 39 OK 100 100 100 100 3.4-3.5 3.6=100 HE ARG 54 - HA LYS 39 far 0 78 0 - 8.7-15.4 H ASP 47 - HA LYS 39 far 0 71 0 - 9.4-10.8 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 2.9-3.9 4.4=100 HE ARG 54 - HB2 LYS 39 far 0 78 0 - 8.0-14.4 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 5 assignments used, quality = 1.00: * H ILE 40 + HB3 LYS 39 OK 100 100 100 100 3.5-4.2 4.4=100 HE ARG 54 - HB3 LYS 39 far 0 78 0 - 6.9-13.7 H ASP 47 - HB3 LYS 39 far 0 71 0 - 9.5-11.7 H ALA 53 - HB3 LYS 39 far 0 76 0 - 9.8-14.0 H ILE 40 - HB3 LYS 73 far 0 100 0 - 9.9-12.8 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 - 6.2-7.0 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 2.1-2.9 139=100, 915/603=63...(14) HD21 ASN 42 - HB ILE 40 far 0 100 0 - 5.4-6.7 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 3.1-3.9 4.4=98, 139/2.1=88...(13) HD21 ASN 42 - QG2 ILE 40 far 0 100 0 - 6.0-7.0 HD21 ASN 74 - QG2 ILE 40 far 0 92 0 - 8.4-13.2 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 3.7-4.9 139/2.9=95, 915/605=94...(13) HD21 ASN 42 - HG12 ILE 40 far 0 100 0 - 6.6-8.4 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 3.4-3.6 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 2.3-3.1 146=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 3.6-3.9 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 3.4-3.9 4.1=100 Violated in 0 structures by 0.00 A. Peak 3824 from cnoeabs.peaks (7.52, 4.68, 53.88 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.92: * H LEU 43 + HA ASN 42 OK 92 100 100 92 3.3-3.6 3.6=73, 149/3.0=49...(5) Violated in 20 structures by 0.19 A. Peak 3825 from cnoeabs.peaks (7.52, 2.76, 39.67 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 43 + HB2 ASN 42 OK 100 100 100 100 2.3-3.4 4.4=100 H LEU 43 + HB3 ASN 42 OK 100 100 100 100 2.9-4.1 4.4=100 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 2 assignments used, quality = 1.00: * H LEU 43 + HB3 ASN 42 OK 100 100 100 100 2.9-4.1 4.4=100 H LEU 43 + HB2 ASN 42 OK 100 100 100 100 2.3-3.4 4.4=100 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 2.4-2.6 155=100, 156/2.3=47...(8) H ASN 49 - HA PRO 44 far 0 68 0 - 6.7-7.2 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 - 7.5-8.1 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 2.2-2.6 4.2=100 H ASN 49 - HB3 PRO 44 far 0 68 0 - 6.1-6.7 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 3.4-3.5 3.5=100 H PHE 48 + HA VAL 45 OK 100 100 100 100 3.5-4.3 4451=96, 641/4455=51...(10) Violated in 0 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (8.77, 2.06, 31.70 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + HB VAL 45 OK 100 100 100 100 3.6-3.7 166/2.1=86, 4.4=65...(9) H PHE 48 - HB VAL 45 far 0 100 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (8.77, 1.07, 22.09 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 46 + QG2 VAL 45 OK 100 100 100 100 4.2-4.3 165=100, 166/2.1=94...(11) H PHE 48 + QG2 VAL 45 OK 49 100 50 98 4.9-5.6 4451/3.2=61, 644/4421=47...(10) 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 2.3-2.4 166=100, 3835/2.1=50...(13) H PHE 48 - QG1 VAL 45 far 0 100 0 - 4.7-5.4 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 3.5-3.6 3.6=100 HE ARG 54 - HA ASP 46 far 0 100 0 - 7.2-13.4 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 2.7-3.3 169=100, 170/1.8=99...(6) HE ARG 54 - HB2 ASP 46 far 0 100 0 - 6.8-13.8 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 2.6-3.1 170=100, 169/1.8=95...(6) HE ARG 54 - HB3 ASP 46 far 0 100 0 - 8.2-14.4 Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (8.77, 4.39, 56.46 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HA ASP 47 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 46 + HA ASP 47 OK 94 100 100 94 5.1-5.2 919/3.0=85, 3843/3.0=28...(6) Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (8.77, 2.67, 40.94 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB2 ASP 47 OK 100 100 100 100 2.3-3.9 4.3=100 H ASP 46 + HB2 ASP 47 OK 71 100 75 95 4.4-6.1 919/637=82, 3843/1.8=36...(5) 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 2.3-3.8 4.3=100 H ASP 46 + HB3 ASP 47 OK 97 100 100 97 4.5-5.5 919/638=89, 3842/1.8=35...(5) 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 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 3845 from cnoeabs.peaks (8.65, 3.13, 38.68 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 49 + HB2 PHE 48 OK 100 100 100 100 2.4-3.8 177=100, 180/2.5=68...(12) H VAL 45 + HB2 PHE 48 OK 39 68 60 96 4.6-5.3 3.0/4455=60, ~4866=39...(10) 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 2.2-4.0 4.3=100 H VAL 45 - HB3 PHE 48 poor 17 68 25 - 4.7-6.1 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 3.5-3.6 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 2.4-3.8 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 2.9-4.1 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 94 100 100 94 3.9-4.6 209/4962=70, 926/4549=69...(5) Violated in 0 structures by 0.00 A. Peak 3852 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB2 GLU 50 OK 99 100 100 99 2.7-3.2 4.7=60, 923/3.9=55...(14) H LEU 51 + HB3 GLU 50 OK 99 100 100 99 3.4-3.9 4.7=60, 923/3.9=55...(12) H ARG 54 + HB3 GLU 50 OK 56 100 75 75 4.2-5.0 209/5699=43, 3851/3.0=25...(6) H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.4-6.1 H LEU 43 - HB2 GLU 50 far 0 97 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: H LEU 51 + HB2 GLU 50 OK 99 100 100 99 2.7-3.2 4.7=60, 923/3.9=55...(14) * H LEU 51 + HB3 GLU 50 OK 99 100 100 99 3.4-3.9 4.7=60, 923/3.9=55...(12) H ARG 54 + HB3 GLU 50 OK 56 100 75 75 4.2-5.0 209/5699=43, 3851/3.0=25...(6) H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.4-6.1 H LEU 43 - HB2 GLU 50 far 0 97 0 - 9.6-11.3 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 4 assignments used, quality = 1.00: * H LEU 51 + HG3 GLU 50 OK 100 100 100 100 4.5-4.9 192=100, 923/656=80...(8) H ARG 54 - HG3 GLU 50 far 0 100 0 - 6.2-7.5 H ARG 54 - HG3 GLU 87 far 0 98 0 - 8.6-52.3 H ARG 54 - HG2 GLU 87 far 0 99 0 - 9.0-50.6 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 3.5-3.5 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 2.6-4.2 196/1.8=86, 924/2216=62...(9) H LEU 52 + HB2 LEU 52 OK 61 61 100 100 3.6-3.6 3.9=99, 667/1.8=89...(11) H LEU 64 - HB2 LEU 52 far 0 56 0 - 8.2-10.1 HE21 GLN 61 - HB2 LEU 52 far 0 30 0 - 9.4-11.6 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 2.5-3.5 196=100, 924/660=65...(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 3.4-4.5 4.6=100 HE21 GLN 61 - QD2 LEU 51 far 0 60 0 - 7.8-10.0 H LEU 64 - QD2 LEU 51 far 0 97 0 - 8.6-9.9 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 4.0-5.0 4.6=100 HE21 GLN 61 - QD1 LEU 51 far 0 60 0 - 7.6-11.5 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 - 9.8-10.7 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 3.6-4.0 203/1.8=92, 4.6=80...(10) H ALA 53 - HB2 LEU 51 far 3 61 5 - 4.9-6.1 H ILE 40 - HB2 LEU 51 far 0 39 0 - 7.3-8.5 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 2.6-2.9 203=100, 3863/1.8=77...(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 3.9-4.4 204=100, 200/668=95...(12) H ILE 40 - HG LEU 52 far 0 76 0 - 8.9-10.2 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 4.2-4.6 205=92, 203/3.1=77...(10) H ILE 40 - QD1 LEU 52 far 0 76 0 - 8.7-9.7 Violated in 7 structures by 0.01 A. Peak 3867 from cnoeabs.peaks (7.22, 0.51, 22.90 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + QD2 LEU 52 OK 100 100 100 100 4.5-4.8 206=96, 3.6/2287=81...(10) H ILE 40 - QD2 LEU 52 far 0 76 0 - 7.0-7.8 Violated in 17 structures by 0.06 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 3.3-3.6 3.6=100 H LEU 51 - HA ALA 53 far 0 100 0 - 6.9-7.2 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 4 assignments used, quality = 1.00: * H ARG 54 + QB ALA 53 OK 100 100 100 100 2.4-3.3 3.6=100 HD21 ASN 80 - QB ALA 78 poor 10 49 20 - 3.7-9.1 H LEU 51 - QB ALA 53 far 0 100 0 - 4.9-5.4 H LEU 43 - QB ALA 78 far 0 55 0 - 8.5-21.7 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 3.4-3.5 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 4 assignments used, quality = 1.00: * H TYR 55 + HB2 ARG 54 OK 100 100 100 100 2.6-3.3 213/1.8=90, 4.6=88...(9) H TYR 55 - HB2 PRO 34 far 0 51 0 - 5.8-8.4 H ASN 42 - HB3 ARG 17 far 0 25 0 - 9.2-23.8 H MET 31 - HB3 ARG 17 far 0 38 0 - 9.5-22.9 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 3.3-4.0 213=100, 3871/1.8=78...(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 2 assignments used, quality = 1.00: * H LEU 57 + HA PRO 56 OK 100 100 100 100 2.2-3.3 218=100, 219/2.3=29...(8) H ILE 89 - HA PRO 56 far 0 78 0 - 9.6-55.4 Violated in 18 structures by 0.22 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 4.0-4.3 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 3.9-4.7 4.0=100 H ARG 26 + HB2 GLU 25 OK 40 40 100 99 2.1-4.0 4.7=80, 58/3.0=48...(11) H ARG 26 + HB3 GLU 25 OK 39 39 100 99 2.6-4.0 4.7=80, 58/3.0=48...(11) H ARG 27 - HB3 GLU 25 poor 19 29 65 - 4.7-6.2 H ARG 27 - HB2 GLU 25 poor 18 30 80 73 4.4-5.6 5380/4.7=36, 61/3.0=19...(8) 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 3.6-4.3 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 2.4-3.3 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 3.3-3.6 230=100, 3.6/2457=70...(14) 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 2.4-2.6 233=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 2.8-3.8 235=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 + HB3 GLU 59 OK 100 100 100 100 3.0-4.1 4.6=100 * H SER 60 + HB2 GLU 59 OK 100 100 100 100 3.1-4.1 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 + HB3 GLU 59 OK 100 100 100 100 3.0-4.1 4.6=100 H SER 60 + HB2 GLU 59 OK 100 100 100 100 3.1-4.1 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 - 9.9-11.8 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 2.2-3.4 4.4=100 H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.4-4.0 4.4=100 H MET 31 - HB2 SER 60 far 0 71 0 - 7.9-11.1 H MET 31 - HB3 SER 60 far 0 71 0 - 8.4-11.2 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 2.2-3.4 4.4=100 * H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.4-4.0 4.4=100 H MET 31 - HB2 SER 60 far 0 71 0 - 7.9-11.1 H MET 31 - HB3 SER 60 far 0 71 0 - 8.4-11.2 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 2.3-2.6 248=100, 249/1.8=92...(11) 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 3.2-3.8 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 3.8-4.7 250=100, 248/3.0=99...(9) 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 3 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 - 8.2-9.1 H ARG 70 - HA LEU 62 far 0 71 0 - 9.4-11.4 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 3.1-3.4 256=92, 258/1.8=69...(14) Violated in 1 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (7.98, 1.59, 41.88 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 63 + HB3 LEU 62 OK 100 100 100 100 2.5-3.4 257=81, 3907/1.8=67...(13) H ALA 30 + HB3 LEU 29 OK 97 98 100 100 3.9-4.0 82=69, 3764/1.8=61...(16) H LEU 29 + HB3 LEU 29 OK 64 65 100 99 2.9-3.6 547=67, 546/1.8=55...(13) H ALA 63 - HB3 LEU 86 far 0 60 0 - 8.2-38.8 H ARG 69 - HB3 LEU 62 far 0 100 0 - 9.5-10.7 H ALA 63 - HB2 LEU 86 far 0 58 0 - 9.8-39.4 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (7.98, 1.57, 26.98 ppm; 4.73 A): 1 out of 13 assignments used, quality = 1.00: * H ALA 63 + HG LEU 62 OK 100 100 100 100 4.8-5.0 3907/3.0=87, 258/3.0=86...(13) H ALA 63 - HG LEU 64 far 7 66 10 - 5.1-7.1 H ARG 69 - HG LEU 64 far 0 64 0 - 6.3-7.5 H LEU 29 - HG LEU 64 far 0 37 0 - 7.5-8.5 H ARG 70 - HG LEU 64 far 0 39 0 - 7.9-9.6 H VAL 76 - HG3 ARG 23 far 0 33 0 - 7.9-25.9 H ALA 30 - HG LEU 64 far 0 64 0 - 8.4-9.4 H GLY 72 - HG LEU 64 far 0 57 0 - 8.9-11.8 H GLY 72 - HG3 ARG 23 far 0 38 0 - 9.0-14.9 H ARG 69 - HG LEU 62 far 0 100 0 - 9.2-10.5 H LEU 29 - HG3 ARG 23 far 0 24 0 - 9.2-12.0 H ALA 30 - HG3 ARG 23 far 0 43 0 - 9.4-13.3 H ARG 70 - HG3 ARG 23 far 0 25 0 - 9.7-18.0 Violated in 20 structures by 0.21 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 3.7-4.9 259=99, 3907/3.1=88...(13) H ARG 69 - QD2 LEU 62 far 0 100 0 - 7.3-9.5 H ARG 70 - QD2 LEU 62 far 0 71 0 - 7.8-10.6 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 5 assignments used, quality = 1.00: * H ALA 63 + QD1 LEU 62 OK 100 100 100 100 4.6-4.8 3907/3.1=67, 258/3.1=65...(13) H ALA 30 + QD1 LEU 29 OK 98 98 100 100 2.9-3.9 83/2.1=71, 908/549=65...(16) H LEU 29 + QD1 LEU 29 OK 66 66 100 100 3.5-4.1 3.0/1481=69, 549=68...(12) H ALA 63 - QD1 LEU 86 far 0 90 0 - 7.7-34.1 H ARG 69 - QD1 LEU 62 far 0 100 0 - 9.6-10.7 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 2.0-2.8 263=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 2.7-3.6 266=100, 3916/1.8=69...(14) 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 4.0-4.3 266/1.8=95, 4.4=95...(14) Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (8.38, 1.54, 27.08 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 65 + HG LEU 64 OK 100 100 100 100 2.4-3.7 268=100, 266/3.0=90...(12) H VAL 65 + HG LEU 62 OK 50 66 95 81 5.1-5.9 4674/4.3=58...(6) H GLY 21 - HG3 ARG 23 far 0 87 0 - 6.5-10.8 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 5 assignments used, quality = 1.00: * H VAL 65 + QD2 LEU 64 OK 100 100 100 100 3.3-4.2 269=100, 268/2.1=99...(14) H ALA 16 - QD2 LEU 64 far 0 60 0 - 8.5-20.8 H ARG 17 - QD2 LEU 64 far 0 99 0 - 9.0-20.1 H GLY 21 - QD2 LEU 64 far 0 100 0 - 9.5-13.8 H GLY 18 - QD2 LEU 64 far 0 87 0 - 9.8-18.3 Violated in 0 structures by 0.00 A. Peak 3919 from cnoeabs.peaks (8.38, 0.95, 23.35 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 65 + QD1 LEU 64 OK 100 100 100 100 3.6-4.7 269/2.1=85, 268/2.1=85...(14) H GLY 21 - QD1 LEU 64 far 0 100 0 - 8.8-12.7 Violated in 4 structures by 0.01 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 3.5-3.6 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 2.0-3.5 273=100, 271/736=69...(12) 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 2.4-3.9 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 3.3-4.3 4.1=100 Violated in 1 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 3.5-3.6 3.6=100 H ARG 70 + HA ARG 66 OK 48 78 65 95 4.0-5.8 940/5379=59, 4.3/5047=50...(9) Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (7.93, 1.88, 29.95 ppm; 4.42 A): 2 out of 27 assignments used, quality = 1.00: * H ASP 67 + HB2 ARG 66 OK 100 100 100 100 3.6-4.1 4.6=87, 937/741=72...(11) H LEU 29 + HB3 ARG 26 OK 27 79 50 70 5.1-5.9 4184/3.0=40, 908/4194=26...(5) H ARG 70 - HB2 ARG 71 poor 18 36 80 61 4.5-6.4 303/4.0=50, 771/2.8=18...(4) H LEU 29 - HB2 ARG 27 poor 16 40 40 - 5.0-5.9 H LEU 29 - HB3 ARG 27 poor 13 42 30 - 5.0-6.0 H ARG 70 - HB2 ARG 66 poor 9 78 35 33 4.6-6.7 3924/3.0=21, 4792/5294=14 H ARG 70 - HB3 ARG 71 poor 8 38 20 - 4.7-6.5 H LEU 29 - HB2 ARG 26 far 4 79 5 - 5.3-6.0 H VAL 76 - HB2 ARG 71 far 0 26 0 - 5.7-15.0 H VAL 76 - HB3 ARG 71 far 0 27 0 - 5.9-15.1 H ASP 67 - HB2 ARG 71 far 0 55 0 - 6.4-8.6 H ASP 67 - HB3 ARG 71 far 0 57 0 - 6.4-9.5 H LYS 32 - HB3 ARG 27 far 0 56 0 - 6.8-8.0 H ASP 67 - HB3 ARG 27 far 0 61 0 - 7.1-9.7 H ILE 33 - HB3 ARG 27 far 0 36 0 - 7.2-8.6 H LYS 32 - HB2 ARG 27 far 0 54 0 - 7.3-8.8 H ASP 67 - HB2 ARG 27 far 0 58 0 - 7.4-9.7 H ILE 33 - HB2 ARG 27 far 0 34 0 - 7.5-9.5 H LYS 32 - HB3 ARG 26 far 0 96 0 - 7.9-10.0 H VAL 76 - HB2 ARG 23 far 0 29 0 - 8.2-23.5 H LYS 32 - HB2 ARG 26 far 0 96 0 - 8.3-10.4 H ARG 70 - HB3 ARG 23 far 0 42 0 - 8.6-16.5 H LEU 29 - HB2 ARG 23 far 0 42 0 - 9.0-11.2 H VAL 76 - HB3 ARG 23 far 0 31 0 - 9.4-23.6 H ILE 33 - HB3 ARG 26 far 0 69 0 - 9.5-11.6 H LEU 29 - HB3 ARG 23 far 0 44 0 - 9.6-10.9 H VAL 76 - HB2 ARG 66 far 0 60 0 - 9.8-18.2 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 98 100 100 98 2.4-4.2 937/742=51, 279=44...(16) H ARG 70 + HB3 ARG 70 OK 62 64 100 98 2.2-3.6 4.1=64, 770/2.9=37...(18) H ARG 70 + HB2 ARG 70 OK 62 64 100 98 2.6-3.6 4.1=64, 770/2.9=37...(18) H VAL 76 - HB2 ARG 70 far 2 48 5 - 4.0-13.0 H ASP 67 - HB3 ARG 70 far 0 89 0 - 4.5-8.2 H VAL 76 - HB3 ARG 70 far 0 48 0 - 5.0-13.7 H ARG 70 - HB3 ARG 66 far 0 78 0 - 5.4-7.6 H ASP 67 - HB2 ARG 70 far 0 89 0 - 5.5-8.3 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 4 assignments used, quality = 1.00: * H ASP 67 + HG2 ARG 66 OK 100 100 100 100 2.2-4.5 280=100, 937/743=92...(13) H ARG 70 - HG2 ARG 66 far 12 78 15 - 5.3-8.8 H VAL 76 - HB3 GLN 79 far 0 48 0 - 7.2-12.7 H ARG 70 - HB3 GLN 79 far 0 64 0 - 7.6-24.8 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 2.5-3.7 286=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 2.1-3.8 287=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 3.4-3.5 3.6=100 H GLY 72 + HA ILE 68 OK 97 99 100 98 3.5-5.0 5845=67, 5397/5389=53...(12) H LYS 73 - HA ILE 68 far 0 93 0 - 6.0-6.9 H VAL 76 - HA ILE 68 far 0 76 0 - 9.9-16.1 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 2.7-3.1 290=100, 291/2.1=77...(12) H GLY 72 - HB ILE 68 far 0 99 0 - 5.5-6.3 H LYS 73 - HB ILE 68 far 0 93 0 - 7.3-8.1 H ALA 63 - HB ILE 68 far 0 100 0 - 9.1-9.6 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 3.3-3.8 291=100, 290/2.1=87...(18) H GLY 72 + QG2 ILE 68 OK 93 99 100 95 3.5-4.6 5056=48, 5845/3.2=45...(14) H LYS 73 - QG2 ILE 68 far 0 93 0 - 5.1-5.9 H ALA 30 - QG2 ILE 68 far 0 100 0 - 8.2-10.2 H ALA 63 - QG2 ILE 68 far 0 100 0 - 9.5-10.0 H VAL 76 - QG2 ILE 68 far 0 76 0 - 9.7-14.5 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=85...(12) H GLY 72 - QD1 ILE 68 far 0 99 0 - 6.4-7.2 H ALA 30 - QD1 ILE 68 far 0 100 0 - 6.6-8.1 H ALA 63 - QD1 ILE 68 far 0 100 0 - 6.9-7.7 H LYS 73 - QD1 ILE 68 far 0 93 0 - 8.0-8.7 Violated in 2 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 - 6.4-7.1 H VAL 76 - HA ARG 69 far 0 99 0 - 8.5-14.2 Violated in 0 structures by 0.00 A. Peak 3941 from cnoeabs.peaks (7.95, 1.80, 29.46 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 70 + HB2 ARG 69 OK 100 100 100 100 2.6-3.7 297=100, 940/760=79...(14) H ASP 67 + HB2 ARG 69 OK 31 78 65 60 4.5-5.7 3.6/5047=52, 4741/4303=7...(4) H VAL 76 - HB2 ARG 69 far 0 99 0 - 7.9-13.9 H ALA 63 - HB2 ARG 69 far 0 71 0 - 9.9-10.6 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 3 assignments used, quality = 1.00: * H ARG 70 + HB3 ARG 69 OK 100 100 100 100 2.2-4.3 4.3=100 H ASP 67 - HB3 ARG 69 far 0 78 0 - 5.6-7.0 H VAL 76 - HB3 ARG 69 far 0 99 0 - 8.4-14.6 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 2.5-4.7 5829=83, 297/3.0=71...(13) H LEU 29 - HG13 ILE 33 far 0 63 0 - 5.2-6.2 H LYS 32 - HG13 ILE 33 far 0 56 0 - 5.3-5.6 H ASP 67 - HG2 ARG 69 far 0 78 0 - 5.8-8.4 H VAL 76 - HG2 ARG 69 far 0 99 0 - 5.9-14.3 H ALA 63 - HG13 ILE 33 far 0 37 0 - 8.4-9.7 H ASP 67 - HG13 ILE 33 far 0 42 0 - 8.4-9.0 Violated in 11 structures by 0.16 A. Peak 3944 from cnoeabs.peaks (7.95, 1.38, 27.02 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HG3 ARG 69 OK 100 100 100 100 2.5-4.9 3943/1.8=93, 297/3.0=87...(17) H ASP 67 - HG3 ARG 69 far 4 78 5 - 5.5-8.1 H VAL 76 - HG3 ARG 69 far 0 99 0 - 6.5-13.3 Violated in 6 structures by 0.02 A. Peak 3948 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.7-3.8 4.4=64, 307/2.9=54...(17) * H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.2-4.3 4.4=64, 307/2.9=54...(17) H LYS 75 - HB2 ARG 70 far 5 92 5 - 4.4-10.1 H LYS 75 - HB3 ARG 70 far 0 92 0 - 5.1-10.4 H ARG 71 - HB3 ARG 66 far 0 89 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.7-3.8 4.4=64, 307/2.9=54...(17) H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.2-4.3 4.4=64, 307/2.9=54...(17) H LYS 75 - HB2 ARG 70 far 5 92 5 - 4.4-10.1 H LYS 75 - HB3 ARG 70 far 0 92 0 - 5.1-10.4 H ARG 71 - HB3 ARG 66 far 0 89 0 - 7.1-9.5 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 8 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 66 87 80 95 3.4-5.0 81/5348=44, 908/4184=39...(11) H LYS 73 - HA ARG 71 poor 16 99 35 45 4.2-5.2 5987/4.7=33, 942/2.9=12...(4) H ALA 30 - HA GLU 25 far 0 90 0 - 6.2-7.2 H ARG 69 - HA ARG 71 far 0 99 0 - 6.5-7.0 H GLY 72 - HA GLU 25 far 0 93 0 - 8.0-12.0 H ARG 69 - HA GLU 25 far 0 90 0 - 8.9-11.8 H LYS 73 - HA GLU 25 far 0 91 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 6 out of 28 assignments used, quality = 1.00: * H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.2-4.2 4.4=99, 5841/2.8=64...(12) H GLY 72 + HB3 ARG 71 OK 100 100 100 100 3.0-4.2 4.4=99, 5841/2.8=64...(11) H ARG 69 + HB2 ARG 71 OK 42 99 60 72 4.7-7.0 5825/4.0=51, 3.6/5392=25...(7) H ALA 30 + HB3 ARG 26 OK 26 46 75 76 4.0-5.9 4194/1.8=30, 5387/3.0=30...(8) H LYS 73 + HB2 ARG 71 OK 25 99 50 50 4.7-6.3 4.5/313=26, 942/4.0=12...(6) H ALA 30 + HB3 ARG 27 OK 23 98 25 92 5.0-6.2 5538/4.3=43, 5387/3.0=43...(8) H ALA 30 - HB2 ARG 26 poor 17 49 45 76 4.4-6.4 4194/1.8=36, 5387/3.0=30...(7) H ARG 69 - HB2 ARG 66 poor 10 52 20 - 5.1-5.8 H ALA 30 - HB2 ARG 27 far 0 99 0 - 5.4-6.2 H LYS 73 - HB3 ARG 71 far 0 99 0 - 5.5-6.2 H ARG 69 - HB3 ARG 71 far 0 99 0 - 5.5-7.4 H ALA 63 - HB2 ARG 66 far 0 48 0 - 6.8-7.6 H GLY 72 - HB3 ARG 23 far 0 79 0 - 7.7-14.6 H GLY 72 - HB2 ARG 23 far 0 79 0 - 8.0-14.3 H ARG 69 - HB2 ARG 27 far 0 99 0 - 8.1-10.8 H ARG 69 - HB3 ARG 27 far 0 98 0 - 8.4-11.4 H GLY 72 - HB2 ARG 66 far 0 55 0 - 8.5-10.5 H ALA 63 - HB3 ARG 27 far 0 94 0 - 8.5-10.7 H ALA 30 - HB2 ARG 23 far 0 75 0 - 8.6-11.7 H ALA 30 - HB2 ARG 17 far 0 49 0 - 8.8-21.5 H LYS 73 - HB2 ARG 66 far 0 53 0 - 9.2-11.6 H GLY 72 - HB3 ARG 27 far 0 100 0 - 9.2-13.2 H GLY 72 - HB2 ARG 27 far 0 100 0 - 9.4-12.5 H ARG 69 - HB3 ARG 23 far 0 76 0 - 9.6-16.4 H ALA 30 - HB3 ARG 23 far 0 76 0 - 9.6-11.3 H LYS 73 - HB3 ARG 23 far 0 77 0 - 9.8-16.9 H ALA 63 - HB2 ARG 27 far 0 94 0 - 9.8-11.9 H LYS 73 - HB2 ARG 23 far 0 77 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 6 out of 28 assignments used, quality = 1.00: H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.2-4.2 4.4=99, 5841/2.8=64...(12) * H GLY 72 + HB3 ARG 71 OK 100 100 100 100 3.0-4.2 4.4=99, 5841/2.8=64...(11) H ARG 69 + HB2 ARG 71 OK 42 99 60 72 4.7-7.0 5825/4.0=51, 3.6/5392=25...(7) H ALA 30 + HB3 ARG 26 OK 28 49 75 77 4.0-5.9 4194/1.8=30, 5387/3.0=30...(8) H LYS 73 + HB2 ARG 71 OK 25 99 50 50 4.7-6.3 4.5/314=26, 942/4.0=12...(6) H ALA 30 + HB3 ARG 27 OK 23 99 25 92 5.0-6.2 5538/4.3=43, 5387/3.0=43...(8) H ALA 30 - HB2 ARG 26 poor 17 51 45 76 4.4-6.4 4194/1.8=36, 5387/3.0=30...(7) H ARG 69 - HB2 ARG 66 poor 11 54 20 - 5.1-5.8 H ALA 30 - HB2 ARG 27 far 0 98 0 - 5.4-6.2 H LYS 73 - HB3 ARG 71 far 0 99 0 - 5.5-6.2 H ARG 69 - HB3 ARG 71 far 0 99 0 - 5.5-7.4 H ALA 63 - HB2 ARG 66 far 0 50 0 - 6.8-7.6 H GLY 72 - HB3 ARG 23 far 0 79 0 - 7.7-14.6 H GLY 72 - HB2 ARG 23 far 0 78 0 - 8.0-14.3 H ARG 69 - HB2 ARG 27 far 0 98 0 - 8.1-10.8 H ARG 69 - HB3 ARG 27 far 0 99 0 - 8.4-11.4 H GLY 72 - HB2 ARG 66 far 0 57 0 - 8.5-10.5 H ALA 63 - HB3 ARG 27 far 0 94 0 - 8.5-10.7 H ALA 30 - HB2 ARG 23 far 0 74 0 - 8.6-11.7 H ALA 30 - HB2 ARG 17 far 0 48 0 - 8.8-21.5 H LYS 73 - HB2 ARG 66 far 0 55 0 - 9.2-11.6 H GLY 72 - HB3 ARG 27 far 0 100 0 - 9.2-13.2 H GLY 72 - HB2 ARG 27 far 0 100 0 - 9.4-12.5 H ARG 69 - HB3 ARG 23 far 0 75 0 - 9.6-16.4 H ALA 30 - HB3 ARG 23 far 0 75 0 - 9.6-11.3 H LYS 73 - HB3 ARG 23 far 0 77 0 - 9.8-16.9 H ALA 63 - HB2 ARG 27 far 0 94 0 - 9.8-11.9 H LYS 73 - HB2 ARG 23 far 0 76 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (7.99, 1.62, 28.82 ppm; 4.50 A): 4 out of 11 assignments used, quality = 1.00: * H GLY 72 + HG2 ARG 71 OK 100 100 100 100 2.1-5.2 5841/1.8=79, 5.0=74...(14) H LYS 73 + HD2 LYS 73 OK 87 96 90 100 3.2-5.9 788/3.5=77, 787/3.5=77...(20) H ARG 69 + HG2 ARG 71 OK 35 99 45 79 4.2-6.6 5825/5.0=42, 3.6/5045=28...(8) H LYS 73 + HD3 LYS 73 OK 34 96 35 100 2.8-5.8 788/3.5=77, 787/3.5=77...(19) H LYS 73 - HG2 ARG 71 poor 20 99 20 - 4.4-7.4 H GLY 72 - HD3 LYS 73 far 5 98 5 - 4.9-8.6 H GLY 72 - HD2 LYS 73 far 0 98 0 - 5.6-8.2 H ARG 69 - HD2 LYS 73 far 0 95 0 - 7.1-10.9 H ALA 30 - HD3 LYS 32 far 0 97 0 - 7.1-9.4 H ARG 69 - HD3 LYS 73 far 0 95 0 - 7.3-10.3 H ALA 30 - HD2 LYS 32 far 0 95 0 - 7.6-9.2 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 LYS 73 + HA2 GLY 72 OK 100 100 100 100 2.7-3.6 3.6=97, 3962/1.8=36...(8) H GLY 72 + HA2 GLY 72 OK 99 99 100 100 2.3-2.9 3.0=100 H ARG 69 - HA2 GLY 72 far 0 93 0 - 5.2-7.2 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 2.8-3.6 3.6=96, 3961/1.8=36...(6) H ARG 69 - HA3 GLY 72 far 0 93 0 - 5.4-8.3 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 7 assignments used, quality = 0.99: * H ASN 74 + HA LYS 73 OK 99 99 100 100 2.1-3.6 3.6=100 H ARG 27 - HA LEU 29 far 0 41 0 - 6.8-7.2 H ALA 78 - HA LYS 73 far 0 99 0 - 7.1-15.0 H ARG 26 - HA LEU 29 far 0 50 0 - 7.4-7.9 H THR 88 - HA ARG 84 far 0 75 0 - 9.2-13.1 H ALA 78 - HA ARG 82 far 0 53 0 - 9.4-15.5 H ILE 89 - HA ARG 84 far 0 75 0 - 9.7-16.2 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 6 assignments used, quality = 1.00: * H ASN 74 + HB2 LYS 73 OK 100 100 100 100 3.0-4.7 4.3=100 H ASN 74 + HB2 LYS 75 OK 44 77 70 82 4.3-7.3 4.6/803=56, 3965/1.8=25...(6) H ALA 78 - HB2 LYS 73 far 5 100 5 - 5.6-15.4 H THR 88 - HB2 LYS 85 far 3 56 5 - 3.6-9.2 H ALA 78 - HB2 LYS 75 far 0 76 0 - 6.0-10.1 H ILE 89 - HB2 LYS 85 far 0 56 0 - 8.2-12.7 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 9 assignments used, quality = 1.00: * H ASN 74 + HB3 LYS 73 OK 100 100 100 100 2.1-4.1 4.3=100 H ASN 74 + HB3 LYS 75 OK 50 93 70 77 3.7-7.4 4.6/804=34, 3.0/6053=28...(6) H ALA 78 - HB3 LYS 73 far 15 100 15 - 4.4-14.1 H THR 88 - HB2 LYS 85 far 2 46 5 - 3.6-9.2 H ALA 78 - HB3 LYS 75 far 0 92 0 - 6.9-10.6 H ILE 89 - HB2 LYS 85 far 0 46 0 - 8.2-12.7 H ALA 78 - HB2 LYS 13 far 0 94 0 - 9.1-52.0 H THR 88 - HB2 LYS 83 far 0 74 0 - 9.2-17.2 H ALA 78 - HB2 LYS 83 far 0 96 0 - 9.8-20.0 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 2.1-3.5 3.6=100 H ARG 71 - HA ASN 74 far 0 92 0 - 5.1-8.4 H LYS 85 - HA ASN 80 far 0 91 0 - 8.8-15.7 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.09, 2.81, 38.52 ppm; 4.99 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 75 + HB2 ASN 74 OK 100 100 100 100 2.1-4.7 4.6=100 H LYS 75 + HB3 ASN 74 OK 57 57 100 100 1.9-4.6 4.6=100 H ARG 71 - HB2 ASN 74 far 14 92 15 - 4.8-9.9 H ARG 71 - HB3 ASN 74 far 0 48 0 - 6.3-10.2 Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (8.09, 2.78, 38.52 ppm; 5.14 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 75 + HB3 ASN 74 OK 100 100 100 100 1.9-4.6 4.6=100 H LYS 75 + HB2 ASN 74 OK 57 57 100 100 2.1-4.7 4.6=100 H ARG 71 - HB2 ASN 74 far 7 48 15 - 4.8-9.9 H ARG 71 - HB3 ASN 74 far 0 92 0 - 6.3-10.2 H LYS 85 - HB3 ASN 80 far 0 59 0 - 7.4-17.8 H LYS 75 - HB3 ASN 80 far 0 69 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 3975 from cnoeabs.peaks (7.96, 4.24, 56.87 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 76 + HA LYS 75 OK 100 100 100 100 2.2-3.4 339=100, 340/3.0=49...(12) H ARG 70 - HA LYS 75 far 0 99 0 - 7.2-12.6 H ARG 69 - HA LYS 75 far 0 76 0 - 9.4-14.2 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 9 assignments used, quality = 1.00: * H VAL 76 + HB2 LYS 75 OK 100 100 100 100 2.1-3.8 340=100, 339/3.0=80...(12) H ARG 70 - HB2 LYS 73 far 0 74 0 - 5.1-7.1 H VAL 76 - HB2 LYS 73 far 0 77 0 - 5.3-10.5 H ARG 69 - HB2 LYS 73 far 0 51 0 - 6.1-8.0 H ARG 70 - HB2 LYS 75 far 0 99 0 - 8.0-12.8 H ASP 67 - HB2 LYS 73 far 0 39 0 - 9.7-11.8 H ARG 69 - HB2 LYS 39 far 0 60 0 - 9.8-11.8 H ARG 69 - HB2 LYS 75 far 0 76 0 - 9.9-14.3 H LEU 29 - HB2 LYS 39 far 0 84 0 - 9.9-13.6 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 10 assignments used, quality = 1.00: * H VAL 76 + HB3 LYS 75 OK 100 100 100 100 1.9-4.4 341=88, 340/1.8=82...(13) H VAL 76 - HB3 LYS 73 poor 16 93 30 59 3.6-9.7 5431/3.0=45, 341=12...(5) H ARG 70 - HB3 LYS 73 far 0 90 0 - 5.5-7.1 H LYS 32 - HB2 LYS 13 far 0 72 0 - 5.7-24.0 H ARG 69 - HB3 LYS 73 far 0 65 0 - 6.8-9.4 H ARG 70 - HB3 LYS 75 far 0 99 0 - 7.2-12.7 H ALA 30 - HB2 LYS 13 far 0 63 0 - 8.6-25.1 H ARG 69 - HB3 LYS 75 far 0 76 0 - 9.0-14.2 H ARG 69 - HB3 LYS 39 far 0 66 0 - 9.3-12.1 H LEU 29 - HB2 LYS 13 far 0 88 0 - 9.6-24.9 Violated in 6 structures by 0.08 A. Peak 3984 from cnoeabs.peaks (8.23, 3.97, 62.83 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 77 + HA VAL 76 OK 100 100 100 100 2.1-3.4 349=100, 350/3.0=49...(12) H GLN 79 - HA VAL 76 far 0 97 0 - 4.4-8.7 H THR 15 - HA VAL 76 far 0 78 0 - 9.2-44.2 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 3.0-4.0 4.4=100 H GLN 79 - HB VAL 76 far 5 97 5 - 5.3-9.8 H ALA 28 - HB3 MET 31 far 3 57 5 - 5.0-7.1 H THR 15 - HB VAL 76 far 0 78 0 - 7.8-44.3 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 6 assignments used, quality = 1.00: * H ALA 77 + QG1 VAL 76 OK 100 100 100 100 3.0-4.4 4.3=100 H ALA 77 + QG2 VAL 76 OK 100 100 100 100 1.9-4.4 4.3=100 H GLN 79 + QG2 VAL 76 OK 33 97 40 84 3.2-9.4 3.6/5430=57, 4.6/5861=26...(7) H GLN 79 - QG1 VAL 76 far 15 97 15 - 5.0-8.9 H THR 15 - QG2 VAL 76 far 0 77 0 - 6.4-38.6 H THR 15 - QG1 VAL 76 far 0 78 0 - 8.3-36.8 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 6 assignments used, quality = 1.00: * H ALA 77 + QG2 VAL 76 OK 100 100 100 100 1.9-4.4 4.3=100 H ALA 77 + QG1 VAL 76 OK 100 100 100 100 3.0-4.4 4.3=100 H GLN 79 + QG2 VAL 76 OK 33 97 40 85 3.2-9.4 3.6/5430=57, 4.6/5861=26...(7) H GLN 79 - QG1 VAL 76 far 15 97 15 - 5.0-8.9 H THR 15 - QG2 VAL 76 far 0 78 0 - 6.4-38.6 H THR 15 - QG1 VAL 76 far 0 77 0 - 8.3-36.8 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 6 assignments used, quality = 1.00: * H ALA 78 + HA ALA 77 OK 100 100 100 100 2.1-3.5 3.6=100 H ALA 78 + HA ALA 78 OK 54 54 100 100 2.3-2.9 2.9=100 H ASN 74 - HA ALA 77 far 0 100 0 - 4.6-12.1 H ARG 26 - HA ALA 20 far 0 40 0 - 4.7-11.7 H ASN 74 - HA ALA 78 far 0 54 0 - 7.0-14.0 H ALA 78 - HA ALA 20 far 0 51 0 - 7.2-33.1 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 11 assignments used, quality = 1.00: * H ALA 78 + QB ALA 77 OK 100 100 100 100 2.1-3.7 3.6=100 H ALA 78 + QB ALA 78 OK 92 92 100 100 2.0-2.9 2.9=100 H ARG 26 - QB ALA 20 far 13 88 15 - 3.3-9.8 H ASN 74 - QB ALA 77 far 10 100 10 - 1.9-10.5 H ALA 78 - QB ALA 20 far 5 100 5 - 4.5-28.2 H ASN 74 - QB ALA 78 far 0 91 0 - 5.5-12.9 H ALA 78 - QB ALA 16 far 0 63 0 - 6.4-36.5 H ARG 26 - QB ALA 16 far 0 50 0 - 7.3-16.1 H ASN 74 - QB ALA 20 far 0 100 0 - 7.6-20.5 H ARG 26 - QB ALA 77 far 0 89 0 - 9.5-23.3 H LEU 57 - QB ALA 16 far 0 63 0 - 9.8-24.7 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 7 assignments used, quality = 1.00: * H GLN 79 + HA ALA 78 OK 100 100 100 100 2.2-3.6 3.6=100 H ALA 77 + HA ALA 77 OK 53 53 100 100 2.3-2.9 3.0=100 H ALA 77 - HA ALA 78 far 15 98 15 - 4.6-5.9 H GLN 79 - HA ALA 77 poor 14 57 25 - 3.1-6.9 H THR 15 - HA ALA 78 far 0 95 0 - 4.9-48.9 H THR 15 - HA ALA 77 far 0 49 0 - 6.5-45.7 H SER 22 - HA ALA 77 far 0 55 0 - 8.9-28.5 Violated in 0 structures by 0.00 A. Peak 3992 from cnoeabs.peaks (8.04, 4.18, 56.27 ppm; 4.20 A): 2 out of 6 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 OK 24 76 65 49 3.2-6.3 5882=22, 4.5/4675=16...(4) H TYR 81 - HA ARG 82 poor 18 100 25 71 4.6-6.4 ~5474=32, 3.9/5886=20...(6) H ARG 82 - HA GLN 79 far 4 76 5 - 3.2-9.0 H ARG 82 - HA ARG 84 far 0 81 0 - 6.7-9.1 H TYR 81 - HA ARG 84 far 0 81 0 - 8.4-11.7 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 10 assignments used, quality = 1.00: * H ARG 84 + HA LYS 83 OK 100 100 100 100 2.1-3.6 3.6=100 H ARG 84 + HA LYS 85 OK 49 73 100 67 4.5-5.8 ~377=43, ~6062=22...(4) H SER 22 - HA GLU 19 far 4 84 5 - 4.8-10.4 H GLU 25 - HA GLU 19 far 0 92 0 - 7.6-12.5 H ALA 28 - HA GLU 19 far 0 82 0 - 8.2-14.7 H THR 15 - HA GLU 19 far 0 91 0 - 8.5-15.7 H GLN 79 - HA LYS 83 far 0 89 0 - 8.5-14.2 H ALA 77 - HA GLU 19 far 0 55 0 - 8.7-32.9 H ILE 89 - HA LYS 85 far 0 43 0 - 8.8-13.2 H ARG 27 - HA GLU 19 far 0 69 0 - 9.6-14.9 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 6 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 31 86 55 66 3.1-7.0 4.6/5431=34, 5849/3.8=14...(8) H LYS 85 - HA ARG 82 far 0 80 0 - 6.5-9.7 H ARG 71 - HA LYS 73 far 0 96 0 - 6.6-7.3 H ARG 26 - HA LEU 29 far 0 37 0 - 7.4-7.9 H THR 88 - HA ARG 84 far 0 68 0 - 9.2-13.1 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 4 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 - 7.5-9.9 H ASN 80 - HA LYS 83 far 0 57 0 - 7.7-12.1 H VAL 90 - HA LYS 85 far 0 100 0 - 9.9-16.4 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 2.1-3.5 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 - 6.6-8.9 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 5 assignments used, quality = 1.00: * H THR 88 + HB2 GLU 87 OK 100 100 100 100 2.1-4.6 4.6=100 H LYS 85 - HB2 GLU 87 far 10 68 15 - 5.8-10.2 H THR 88 - HB3 GLN 91 far 9 91 10 - 5.1-13.8 H ALA 78 - HB3 GLU 19 far 0 74 0 - 6.9-33.7 H ARG 26 - HB3 GLU 19 far 0 89 0 - 7.2-12.3 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 7 assignments used, quality = 1.00: * H THR 88 + HB3 GLU 87 OK 100 100 100 100 2.7-4.6 4.6=94, 402/3.0=84...(8) H ARG 26 + HB3 ARG 26 OK 48 48 100 100 2.4-3.6 3.9=100 H ARG 26 + HB2 ARG 26 OK 46 46 100 100 2.3-3.6 3.9=100 H THR 88 - HB2 GLN 91 far 4 89 5 - 5.0-13.5 H LYS 85 - HB3 GLU 87 far 0 68 0 - 5.6-10.4 H ALA 78 - HB2 GLU 19 far 0 76 0 - 6.6-34.5 H ARG 26 - HB2 GLU 19 far 0 92 0 - 7.4-12.9 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 1 assignment used, quality = 1.00: * H ILE 89 + HA THR 88 OK 100 100 100 100 2.1-3.1 3.5=100 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 2.3-4.5 3.9=100 H ARG 84 - QG2 THR 88 far 0 68 0 - 8.3-13.8 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 2.1-2.6 412=100, 3.9/5432=14 H LEU 86 - HA ILE 89 far 0 100 0 - 7.0-12.0 Violated in 0 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 2.0-3.8 4.4=100 H LEU 86 - QG2 ILE 89 far 0 100 0 - 7.8-11.5 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=9, ~3662=3 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 4 assignments used, quality = 1.00: * H GLN 91 + HB VAL 90 OK 100 100 100 100 3.9-4.5 4.4=100 H TYR 81 - HB VAL 76 far 0 54 0 - 7.3-13.8 H TYR 81 - HB3 MET 11 far 0 52 0 - 8.6-64.9 H ARG 82 - HB VAL 76 far 0 57 0 - 9.4-17.3 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 6 assignments used, quality = 1.00: * H GLN 91 + QG1 VAL 90 OK 100 100 100 100 2.0-4.0 4.1=100 H GLN 91 + QG2 VAL 90 OK 100 100 100 100 2.0-4.3 4.1=100 H TYR 81 - QG1 VAL 76 far 3 63 5 - 5.4-13.0 H TYR 81 - QG2 VAL 76 far 3 60 5 - 4.5-12.0 H ARG 82 - QG2 VAL 76 far 0 63 0 - 6.5-14.2 H ARG 82 - QG1 VAL 76 far 0 66 0 - 7.9-15.6 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 6 assignments used, quality = 1.00: * H GLN 91 + QG2 VAL 90 OK 100 100 100 100 2.0-4.3 4.1=100 H GLN 91 + QG1 VAL 90 OK 100 100 100 100 2.0-4.0 4.1=100 H TYR 81 - QG1 VAL 76 far 3 61 5 - 5.4-13.0 H TYR 81 - QG2 VAL 76 far 3 58 5 - 4.5-12.0 H ARG 82 - QG2 VAL 76 far 0 61 0 - 6.5-14.2 H ARG 82 - QG1 VAL 76 far 0 64 0 - 7.9-15.6 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 25 assignments used, quality = 1.00: QB ALA 20 + HA2 GLY 21 OK 93 93 100 100 3.6-4.4 4.8=100 QB ALA 20 + HA3 GLY 21 OK 93 93 100 100 3.7-4.5 4.8=100 QB ALA 20 - HA2 GLY 18 poor 17 56 30 - 3.6-7.4 QB ALA 20 - HA3 GLY 18 poor 12 58 20 - 4.4-7.4 QB ALA 28 - HA3 GLY 18 poor 8 40 20 - 4.3-13.9 QB ALA 28 - HA2 GLY 18 poor 8 39 20 - 4.1-14.1 QB ALA 77 - HA3 GLY 21 far 5 96 5 - 5.1-26.0 HG3 LYS 75 - HA2 GLY 21 far 3 68 5 - 5.2-29.5 HG3 LYS 75 - HA3 GLY 21 far 3 68 5 - 5.2-28.9 QB ALA 77 - HA3 GLY 18 far 3 60 5 - 2.6-31.5 QB ALA 77 - HA2 GLY 18 far 3 58 5 - 2.1-31.0 QB ALA 78 - HA3 GLY 18 far 2 42 5 - 2.6-34.1 QB ALA 78 - HA2 GLY 18 far 2 40 5 - 3.7-33.7 QB ALA 16 - HA3 GLY 18 lone 1 66 65 2 4.4-7.5 QB ALA 16 - HA2 GLY 18 lone 1 64 50 2 4.4-8.0 QB ALA 77 - HA2 GLY 21 far 0 96 0 - 6.2-25.0 HG2 LYS 75 - HA3 GLY 21 far 0 68 0 - 6.7-28.5 QB ALA 16 - HA2 GLY 21 far 0 100 0 - 6.7-15.0 QB ALA 28 - HA3 GLY 21 far 0 71 0 - 6.8-10.2 HG2 LYS 75 - HA2 GLY 21 far 0 68 0 - 6.8-29.0 QB ALA 28 - HA2 GLY 21 far 0 71 0 - 7.1-10.6 QB ALA 16 - HA3 GLY 21 far 0 100 0 - 7.4-14.7 QB ALA 78 - HA3 GLY 21 far 0 73 0 - 8.7-25.7 HG3 LYS 75 - HA2 GLY 18 far 0 37 0 - 9.2-34.2 QB ALA 78 - HA2 GLY 21 far 0 73 0 - 9.8-26.0 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (1.76, 3.95, 45.26 ppm; 5.16 A): 2 out of 23 assignments used, quality = 0.64: HB3 ARG 17 + HA2 GLY 18 OK 40 50 100 81 3.8-5.8 1.8/5496=41, ~5496=31...(7) HB3 ARG 17 + HA3 GLY 18 OK 40 52 100 77 4.0-6.0 1.8/5496=40, ~5496=32...(6) HG3 ARG 26 - HA2 GLY 21 poor 10 95 35 31 4.3-9.6 1.8/5495=10, 3.0/5286=7...(5) HG3 ARG 26 - HA3 GLY 21 poor 9 94 35 28 5.5-9.8 ~5495=7, 1.8/5495=7...(5) HB3 LYS 75 - HA3 GLY 21 far 3 68 5 - 5.7-27.1 HB ILE 33 - HA3 GLY 18 far 3 65 5 - 5.2-19.1 HB ILE 33 - HA2 GLY 18 far 3 62 5 - 5.9-19.5 HB3 LYS 75 - HA2 GLY 21 far 0 68 0 - 6.4-27.3 HG3 ARG 71 - HA3 GLY 21 far 0 97 0 - 6.6-19.8 HG3 ARG 26 - HA3 GLY 18 far 0 59 0 - 6.7-17.7 HG3 ARG 71 - HA2 GLY 21 far 0 97 0 - 7.1-18.4 HB3 LYS 75 - HA2 GLY 18 far 0 37 0 - 7.2-32.1 HB3 LYS 32 - HA3 GLY 18 far 0 60 0 - 7.7-24.7 HG3 ARG 26 - HA2 GLY 18 far 0 57 0 - 7.8-17.5 HB3 LYS 39 - HA2 GLY 18 far 0 45 0 - 7.9-19.1 HB3 LYS 32 - HA2 GLY 18 far 0 58 0 - 8.2-24.8 HB3 LYS 75 - HA3 GLY 18 far 0 38 0 - 8.4-32.8 HB3 LYS 39 - HA3 GLY 18 far 0 47 0 - 8.5-19.2 HB2 LYS 32 - HA3 GLY 18 far 0 60 0 - 8.5-25.0 HB3 ARG 17 - HA2 GLY 21 far 0 87 0 - 9.1-16.0 HB2 LYS 32 - HA2 GLY 18 far 0 58 0 - 9.2-25.1 HB2 PRO 34 - HA2 GLY 18 far 0 50 0 - 9.2-24.5 HB3 LYS 73 - HA3 GLY 21 far 0 90 0 - 9.4-22.5 Violated in 2 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (2.05, 3.95, 45.26 ppm; 4.68 A): 5 out of 17 assignments used, quality = 0.90: HB2 GLU 25 + HA2 GLY 21 OK 45 100 70 65 3.2-7.4 4152/3.5=30, 3.0/5284=25...(9) HB2 GLU 25 + HA3 GLY 21 OK 44 100 70 63 2.9-6.9 4152/3.5=30, 3.0/5284=23...(8) HB3 GLU 25 + HA2 GLY 21 OK 41 100 65 63 3.9-8.4 4152/3.5=27, 3.0/5284=25...(9) HB3 GLU 25 + HA3 GLY 21 OK 31 100 50 62 3.3-7.7 4152/3.5=27, 3.0/5284=23...(8) HB3 GLU 19 + HA2 GLY 18 OK 21 54 65 58 4.5-6.3 3.9/25=27, 3.0/4800=14...(9) HB3 GLU 19 - HA3 GLY 21 far 14 92 15 - 5.1-8.6 HB3 GLU 19 - HA3 GLY 18 poor 13 56 40 58 4.8-6.6 3.9/25=27, 3.0/4800=15...(9) HB3 GLU 25 - HA3 GLY 18 far 7 67 10 - 4.7-14.2 HB3 GLU 19 - HA2 GLY 21 far 5 92 5 - 5.0-8.6 HB3 GLU 25 - HA2 GLY 18 far 3 65 5 - 4.2-14.1 HB2 GLU 25 - HA2 GLY 18 far 3 65 5 - 4.9-14.6 HB2 GLU 25 - HA3 GLY 18 far 0 67 0 - 5.8-14.7 HB VAL 76 - HA2 GLY 18 far 0 61 0 - 6.7-35.4 HB3 MET 31 - HA3 GLY 18 far 0 54 0 - 7.9-23.7 HB VAL 76 - HA3 GLY 18 far 0 63 0 - 8.1-35.8 HB3 MET 31 - HA2 GLY 18 far 0 51 0 - 9.2-24.1 HB VAL 76 - HA3 GLY 21 far 0 98 0 - 9.9-30.0 Violated in 1 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (2.05, 4.45, 58.33 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.78: HB2 GLU 25 + HA SER 22 OK 78 100 80 98 2.3-7.3 3.0/5500=42, 4155/3.0=38...(14) HB3 GLU 25 - HA SER 22 poor 20 99 20 - 3.7-7.6 HB3 GLU 19 - HA SER 22 far 0 97 0 - 6.0-12.1 HB VAL 76 - HA TYR 81 far 0 95 0 - 7.9-15.2 HB VAL 45 - HA TYR 81 far 0 81 0 - 9.3-28.2 Violated in 10 structures by 0.53 A. Peak 4154 from cnoeabs.peaks (2.05, 4.01, 63.89 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 25 + HB2 SER 22 OK 89 100 90 99 2.4-6.8 4153/3.0=80, 4155/1.8=57...(7) HB3 GLU 25 + HB2 SER 22 OK 83 99 85 99 3.9-7.0 ~4153=59, 4.0/5085=56...(8) HB3 GLU 19 - HB2 SER 22 far 0 97 0 - 7.3-13.4 Violated in 1 structures by 0.01 A. Peak 4155 from cnoeabs.peaks (2.05, 3.89, 63.89 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.85: HB2 GLU 25 + HB3 SER 22 OK 73 100 75 98 2.9-8.0 4153/3.0=65, 3.0/5498=53...(8) HB3 GLU 25 + HB3 SER 22 OK 43 100 45 97 4.4-7.6 3.0/5498=53, ~4153=46...(8) HB3 GLU 19 - HB3 SER 22 far 0 90 0 - 5.7-12.3 Violated in 9 structures by 0.30 A. Peak 4157 from cnoeabs.peaks (1.86, 4.49, 56.18 ppm; 3.52 A): 3 out of 8 assignments used, quality = 0.94: HB2 ARG 27 + HA ASP 24 OK 81 100 100 82 2.3-4.2 4.1/5383=33, 4.3/6057=24...(14) HB3 ARG 23 + HA ASP 24 OK 49 97 75 67 3.8-5.7 45/3.0=25, ~44=16...(11) HB3 ARG 27 + HA ASP 24 OK 40 100 50 80 3.3-5.6 4.1/5383=33, 4.3/6057=24...(13) HB2 ARG 23 - HA ASP 24 far 14 97 15 - 4.1-5.6 HB3 ARG 71 - HA ASP 24 far 5 100 5 - 4.4-9.1 HB2 ARG 71 - HA ASP 24 far 5 100 5 - 4.3-8.8 HB2 ARG 26 - HA ASP 24 far 4 78 5 - 4.4-7.5 HB3 ARG 26 - HA ASP 24 far 0 76 0 - 6.1-7.4 Violated in 1 structures by 0.01 A. Peak 4160 from cnoeabs.peaks (0.80, 2.59, 40.55 ppm; 4.00 A): 2 out of 6 assignments used, quality = 0.60: QG2 ILE 68 + HB3 ASP 24 OK 44 99 50 90 2.5-6.2 ~4760=38, 4752=28...(9) QD1 LEU 43 + HB3 ASP 47 OK 29 29 100 100 2.7-4.7 2.1/4389=75, ~4907=54...(16) QD1 ILE 68 - HB3 ASP 24 far 8 83 10 - 3.9-6.9 QG1 VAL 41 - HB3 ASP 24 far 0 100 0 - 7.2-10.0 QG1 VAL 41 - HB3 ASP 47 far 0 59 0 - 8.8-10.4 QG2 ILE 68 - HB3 ASP 47 far 0 57 0 - 9.8-12.9 Violated in 3 structures by 0.02 A. Peak 4161 from cnoeabs.peaks (1.33, 4.09, 58.48 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: QB ALA 28 + HA GLU 25 OK 100 100 100 100 2.0-3.2 4181=100, 6128/4162=44...(13) QB ALA 28 - HA ARG 26 far 0 78 0 - 4.5-5.2 QB ALA 28 - HA ARG 27 far 0 55 0 - 5.0-5.0 QB ALA 16 - HA ARG 26 far 0 51 0 - 5.8-16.6 QB ALA 16 - HA ARG 27 far 0 34 0 - 7.7-19.6 QB ALA 16 - HA GLU 25 far 0 73 0 - 8.1-15.5 HG3 LYS 32 - HA ARG 27 far 0 54 0 - 8.9-9.8 HG3 LYS 32 - HA ARG 26 far 0 76 0 - 9.0-12.2 QB ALA 28 - HA ARG 71 far 0 92 0 - 9.4-12.4 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 1.9-3.8 5105=99, 6128/4181=59...(11) QG2 THR 37 - HA ARG 26 far 0 78 0 - 5.7-7.6 QG2 THR 15 - HA ARG 26 far 0 53 0 - 6.2-19.4 QG2 THR 37 - HA ARG 27 far 0 55 0 - 6.3-8.5 QG2 THR 37 - HA ARG 71 far 0 92 0 - 7.9-10.5 QG2 THR 15 - HA ARG 27 far 0 36 0 - 8.1-22.3 QG2 THR 15 - HA GLU 25 far 0 76 0 - 9.7-19.6 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 7 assignments used, quality = 0.98: QD2 LEU 29 + HA GLU 25 OK 86 100 90 95 3.3-5.8 4839/4181=48...(13) QD2 LEU 29 + HA ARG 26 OK 77 78 100 99 1.9-3.6 3.1/5348=58, 3.1/5394=38...(18) QD2 LEU 64 + HA ARG 27 OK 53 55 100 97 3.7-4.9 5028/3.0=42, 5015/3.6=40...(18) QD2 LEU 29 - HA ARG 27 poor 14 55 25 - 4.5-5.7 QD2 LEU 64 - HA GLU 25 far 0 100 0 - 5.7-7.3 QD2 LEU 64 - HA ARG 26 far 0 78 0 - 6.8-7.7 QD2 LEU 64 - HA ARG 71 far 0 92 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (1.16, 2.26, 36.07 ppm; 5.02 A): 1 out of 5 assignments used, quality = 0.88: QG2 THR 37 + HG2 GLU 25 OK 88 99 90 99 2.1-6.2 4162/1332=77...(9) QG2 THR 37 - HG3 GLU 19 poor 18 59 30 - 3.4-13.7 QG2 THR 37 - HG2 GLU 19 poor 18 59 30 - 4.4-13.6 QG2 THR 15 - HG3 GLU 19 far 0 32 0 - 8.1-15.7 QG2 THR 15 - HG2 GLU 19 far 0 32 0 - 8.6-15.9 Violated in 3 structures by 0.11 A. Peak 4165 from cnoeabs.peaks (0.86, 2.26, 36.07 ppm; 4.63 A): 1 out of 7 assignments used, quality = 0.62: QD2 LEU 29 + HG2 GLU 25 OK 62 85 80 92 2.5-7.4 4804/1.8=49...(10) QD2 LEU 29 - HG3 GLU 19 poor 12 46 25 - 4.3-11.6 QD1 LEU 29 - HG2 GLU 25 far 9 89 10 - 3.1-9.7 QD2 LEU 29 - HG2 GLU 19 far 7 46 15 - 4.3-12.1 QD1 LEU 29 - HG3 GLU 19 far 5 49 10 - 5.4-13.6 QD1 LEU 29 - HG2 GLU 19 far 2 49 5 - 5.3-14.0 QD2 LEU 64 - HG2 GLU 25 far 0 85 0 - 7.7-9.4 Violated in 17 structures by 0.83 A. Peak 4167 from cnoeabs.peaks (1.36, 2.05, 29.32 ppm; 4.64 A): 2 out of 15 assignments used, quality = 0.95: QB ALA 28 + HB2 GLU 25 OK 77 78 100 99 4.0-5.5 4181/3.0=66, 5512/3.0=45...(15) QB ALA 28 + HB3 GLU 25 OK 77 78 100 99 3.8-5.2 4181/3.0=66, 5512/3.0=45...(15) QB ALA 20 - HB2 GLU 25 poor 14 89 50 31 2.1-8.1 4.8/4151=10, 4.8/4151=10...(5) QB ALA 20 - HB3 GLU 25 poor 14 89 55 28 2.0-8.6 4.8/4151=9, 4.8/4151=7...(5) QB ALA 16 - HB3 GLU 25 far 0 100 0 - 6.5-13.8 QB ALA 77 - HB2 GLU 25 far 0 92 0 - 7.5-23.2 QB ALA 77 - HB3 GLU 25 far 0 92 0 - 7.6-23.0 QB ALA 16 - HB2 GLU 25 far 0 100 0 - 7.6-14.7 HB2 LEU 52 - HB3 GLU 50 far 0 46 0 - 8.2-8.7 HB2 LEU 52 - HB2 GLU 50 far 0 46 0 - 8.3-8.7 QB ALA 78 - HB3 GLU 25 far 0 65 0 - 8.4-25.4 HB2 LEU 52 - HB3 PRO 56 far 0 33 0 - 8.8-10.9 QB ALA 78 - HB2 GLU 25 far 0 65 0 - 8.9-26.3 QB ALA 12 - HB2 GLU 50 far 0 40 0 - 9.0-34.5 QB ALA 12 - HB3 GLU 50 far 0 40 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 4168 from cnoeabs.peaks (0.85, 2.05, 29.32 ppm; 5.13 A): 4 out of 13 assignments used, quality = 1.00: QD2 LEU 29 + HB2 GLU 25 OK 96 98 100 98 2.8-5.6 4165/3.0=72, 4804/3.0=48...(12) QD2 LEU 29 + HB3 GLU 25 OK 96 98 100 98 2.7-5.8 4165/3.0=72, 4804/3.0=48...(12) QD1 LEU 29 + HB2 GLU 25 OK 46 65 75 95 4.2-8.1 ~4165=52, ~4804=33...(10) QD1 LEU 29 + HB3 GLU 25 OK 46 65 75 95 3.4-8.2 ~4165=52, ~4804=33...(10) QD1 LEU 43 - HB2 GLU 50 poor 17 48 35 - 5.0-6.7 QD1 LEU 43 - HB3 GLU 50 far 5 48 10 - 5.7-7.6 QD1 LEU 62 - HB3 PRO 56 far 0 39 0 - 6.9-8.9 QD2 LEU 64 - HB3 GLU 25 far 0 98 0 - 7.5-9.3 QD2 LEU 64 - HB2 GLU 25 far 0 98 0 - 7.9-9.2 QG2 ILE 89 - HB3 PRO 56 far 0 50 0 - 8.0-50.2 QD1 LEU 62 - HB3 GLU 50 far 0 54 0 - 8.8-10.8 QD1 LEU 62 - HB2 GLU 50 far 0 54 0 - 9.1-11.0 QG2 ILE 89 - HB3 GLU 50 far 0 68 0 - 9.5-48.3 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 2.0-2.9 4228=94, 1.8/4175=79...(14) QG2 VAL 65 - HA ALA 28 far 10 100 10 - 5.0-6.3 QG1 VAL 65 - HA ALA 28 far 0 81 0 - 6.2-8.3 HG13 ILE 40 - HA ALA 28 far 0 83 0 - 7.3-9.1 QG2 THR 15 - HA ALA 28 far 0 83 0 - 8.4-20.6 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (0.83, 3.96, 54.22 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.98: QD2 LEU 64 + HA ALA 28 OK 98 98 100 100 2.0-3.0 5162/2.1=63, 4384=50...(21) QD2 LEU 29 + HA ALA 28 OK 21 98 25 86 4.2-6.2 4839/2.1=45, 550/3.6=43...(8) QG2 ILE 68 - HA ALA 28 far 0 65 0 - 4.9-7.0 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 3.2-4.0 5196/2.1=91, 2.1/4228=83...(17) QD2 LEU 57 - HA ALA 28 far 0 100 0 - 6.2-7.1 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 2.0-2.9 1.8/4228=80, 4230=67...(20) QB ALA 30 - HA ALA 28 far 0 89 0 - 5.3-5.6 QB ALA 63 - HA ALA 28 far 0 73 0 - 8.6-9.6 HB3 LEU 57 - HA ALA 28 far 0 99 0 - 9.5-10.4 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 2.3-4.6 1.8/5529=58, 4203=54...(14) HG13 ILE 68 - HA ALA 28 far 0 100 0 - 5.4-7.2 HB ILE 68 - HA ALA 28 far 0 71 0 - 6.2-7.9 HG12 ILE 40 - HA ALA 28 far 0 89 0 - 6.8-9.1 HB2 GLU 19 - HA ALA 28 far 0 96 0 - 7.4-17.3 Violated in 1 structures by 0.01 A. Peak 4177 from cnoeabs.peaks (0.83, 1.34, 17.80 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.99: QD2 LEU 64 + QB ALA 28 OK 97 97 100 99 2.9-4.2 5162=77, 4173/2.1=52...(16) QD2 LEU 29 + QB ALA 28 OK 71 97 75 97 2.2-4.7 4839=44, 550/78=44...(16) QG2 ILE 68 + QB ALA 28 OK 29 68 50 84 3.0-5.0 2.9/5302=52...(8) QD1 LEU 43 - QB ALA 28 far 0 100 0 - 8.0-9.4 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 3.7-4.6 5196=99, 3.2/4180=72...(17) QD2 LEU 57 - QB ALA 28 far 0 100 0 - 5.8-6.9 Violated in 7 structures by 0.06 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 2.5-4.2 2.1/4180=85, 3.2/5196=66...(16) Violated in 2 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (1.75, 1.34, 17.80 ppm; 3.50 A): 1 out of 11 assignments used, quality = 0.92: HB ILE 33 + QB ALA 28 OK 92 92 100 100 2.0-3.3 4219=70, 2.1/4179=51...(16) HG3 ARG 26 - QB ALA 28 far 0 100 0 - 5.9-7.1 HB3 ARG 17 - QB ALA 28 far 0 97 0 - 6.0-15.5 HB3 LYS 39 - QB ALA 28 far 0 60 0 - 6.8-9.9 HG3 ARG 71 - QB ALA 28 far 0 100 0 - 6.9-10.9 HB3 LYS 32 - QB ALA 28 far 0 83 0 - 7.0-8.1 HB2 LYS 32 - QB ALA 28 far 0 83 0 - 7.0-7.8 HB2 PRO 34 - QB ALA 28 far 0 68 0 - 7.8-9.0 HG2 PRO 34 - QB ALA 28 far 0 99 0 - 7.9-8.9 HB2 LEU 57 - QB ALA 28 far 0 95 0 - 9.8-11.0 HB2 LEU 43 - QB ALA 28 far 0 60 0 - 9.8-11.5 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 4 assignments used, quality = 1.00: HA GLU 25 + QB ALA 28 OK 100 100 100 100 2.0-3.2 4161=99, 4162/6128=43...(14) HA ARG 26 - QB ALA 28 far 0 83 0 - 4.5-5.2 HA ARG 27 - QB ALA 28 far 0 65 0 - 5.0-5.0 HA ARG 71 - QB ALA 28 far 0 95 0 - 9.4-12.4 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 3.4-4.1 556/4176=65, 5525/3.6=59...(15) H GLN 61 - HA ALA 28 far 0 78 0 - 9.0-10.6 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 4 assignments used, quality = 1.00: QB ALA 28 + HA LEU 29 OK 100 100 100 100 3.7-3.9 78/3.0=83, 4.9=71...(9) QB ALA 16 - HA LEU 29 far 11 76 15 - 2.5-16.9 HG3 LYS 32 - HA LEU 29 poor 10 99 25 42 4.2-7.7 565/4205=29, 5086/5526=17 QG2 THR 58 - HA LEU 29 far 0 73 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 4186 from cnoeabs.peaks (4.07, 1.58, 41.88 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.97: HA ALA 63 + HB3 LEU 62 OK 90 91 100 99 3.8-4.0 3.0/257=65, 4677/3.0=42...(14) HA ARG 26 + HB3 LEU 29 OK 69 99 70 100 4.6-5.3 5394=96, 5348/1.8=74...(12) HA GLU 25 - HB3 LEU 29 far 0 93 0 - 6.2-7.5 HA ALA 63 - HB3 LEU 86 far 0 69 0 - 8.1-37.3 HA VAL 90 - HB3 LEU 86 far 0 78 0 - 8.5-15.0 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 7 assignments used, quality = 0.99: HA GLU 59 + QD1 LEU 62 OK 96 98 100 99 2.9-3.3 4639=73, 5364/2.1=50...(9) HA ARG 26 + QD1 LEU 29 OK 64 89 80 90 2.0-4.8 5394/3.1=37, 5929/2.1=29...(16) HA GLU 59 - QD1 LEU 86 far 0 96 0 - 5.5-36.4 HA ALA 63 - QD1 LEU 62 far 0 96 0 - 5.7-6.2 HA VAL 90 - QD1 LEU 86 far 0 68 0 - 7.0-12.1 HA ALA 63 - QD1 LEU 86 far 0 93 0 - 8.0-32.8 HA PHE 48 - QD1 LEU 62 far 0 74 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (0.85, 4.13, 53.99 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 29 + HA ALA 30 OK 100 100 100 100 4.9-5.9 2.1/4842=89, 3768/3.0=79...(18) QD2 LEU 64 - HA ALA 30 far 0 100 0 - 6.5-7.2 Violated in 15 structures by 0.28 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 2 assignments used, quality = 1.00: HG12 ILE 33 + HB2 MET 31 OK 99 99 100 100 2.0-3.3 2.1/6120=70, 574/5181=49...(17) QB ALA 30 + HB2 MET 31 OK 99 99 100 100 4.3-5.3 3.6/556=76, 5305/3.0=63...(11) Violated in 0 structures by 0.00 A. Peak 4196 from cnoeabs.peaks (1.45, 2.07, 32.66 ppm; 4.88 A): 3 out of 4 assignments used, quality = 1.00: HG12 ILE 33 + HB3 MET 31 OK 100 100 100 100 2.4-4.7 ~6120=58, 2.1/4846=53...(15) QB ALA 30 + HB3 MET 31 OK 100 100 100 100 4.4-5.6 3.6/557=75, 5305/3.0=70...(9) HB3 LEU 43 + HB3 PRO 44 OK 41 43 95 100 5.3-5.9 4378/3.0=70...(21) HB3 LEU 57 - HB3 MET 31 far 0 78 0 - 6.9-9.6 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (1.44, 2.63, 32.57 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 30 + HG2 MET 31 OK 97 97 100 100 2.9-4.7 6116=83, 5305/1.8=70...(11) HG12 ILE 33 + HG2 MET 31 OK 83 98 85 100 3.9-5.7 2.1/4847=61, ~4848=45...(15) 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 1.9-3.5 5021=73, 4200/1.8=67...(22) QD2 LEU 29 - HG2 MET 31 far 0 99 0 - 6.8-7.9 QG2 ILE 68 - HG2 MET 31 far 0 63 0 - 7.9-10.0 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 2.8-4.9 5305=91, 6116/1.8=75...(11) HG12 ILE 33 + HG3 MET 31 OK 90 100 90 100 3.9-5.8 2.1/4848=62, ~4847=48...(15) HB3 LEU 57 - HG3 MET 31 far 0 78 0 - 8.9-11.4 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 1.8-3.3 4198/1.8=81, 6121/3.0=67...(22) QD2 LEU 29 - HG3 MET 31 far 0 100 0 - 6.4-7.7 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 5 assignments used, quality = 0.97: HA ALA 28 + HG2 MET 31 OK 95 100 95 100 3.1-5.5 4176/3.0=65...(12) HA GLN 61 + HG2 MET 31 OK 38 97 40 98 3.7-6.8 5079/3.3=72...(11) HA LYS 32 - HG2 MET 31 far 0 78 0 - 6.7-7.5 HA THR 37 - HG2 MET 31 far 0 85 0 - 9.1-11.7 HA3 GLY 18 - HG2 MET 31 far 0 68 0 - 9.9-23.0 Violated in 12 structures by 0.15 A. Peak 4202 from cnoeabs.peaks (3.96, 2.52, 32.57 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 28 + HG3 MET 31 OK 100 100 100 100 3.5-4.8 4176/3.0=69, 4201/1.8=59...(11) HA GLN 61 + HG3 MET 31 OK 79 99 80 99 3.7-6.7 5079/3.3=78...(14) HA LYS 32 - HG3 MET 31 far 0 87 0 - 6.4-7.6 HA THR 37 - HG3 MET 31 far 0 76 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (3.95, 1.94, 32.66 ppm; 4.37 A): 3 out of 6 assignments used, quality = 1.00: HA ALA 28 + HB2 MET 31 OK 100 100 100 100 2.3-4.6 4176=85, 5529/1.8=54...(14) HA LYS 32 + HB2 MET 31 OK 39 78 55 91 4.9-5.6 3.6/5181=43, ~90=35...(10) HA GLN 61 + HB2 MET 31 OK 32 97 35 95 4.2-6.1 5079/4.3=55...(9) HA THR 37 - HB2 MET 31 far 0 85 0 - 8.1-10.2 HA3 GLY 18 - HB2 MET 31 far 0 68 0 - 9.1-22.2 HA2 GLY 18 - HB2 MET 31 far 0 65 0 - 9.3-22.5 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 2.2-4.0 5763=93, 1.7/5762=86...(14) QE TYR 55 - HA ILE 33 far 0 100 0 - 6.9-8.1 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 2.5-2.7 4583=76, 2.2/4208=57...(25) HZ PHE 35 + QG2 ILE 33 OK 92 93 100 99 2.7-3.1 2.2/4583=60, 4596=48...(19) HZ PHE 48 - QG2 ILE 33 far 0 90 0 - 7.5-8.8 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 2.7-2.8 2.2/4583=71, 4.5/4248=62...(21) 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 1.9-2.2 4248=95, 110/4215=32...(14) Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (7.44, 0.71, 10.77 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.96: HE21 GLN 61 + QD1 ILE 33 OK 93 93 100 100 1.9-4.0 1.7/4213=66, 3.5/4224=59...(17) H LEU 64 + QD1 ILE 33 OK 40 71 60 94 4.6-5.3 4.4/6122=52, 4.6/5795=38...(10) H LEU 52 - QD1 ILE 33 far 0 92 0 - 8.3-9.5 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 3.8-4.7 5795=98, 269/6122=73...(9) H ARG 17 - QD1 ILE 33 far 0 100 0 - 8.1-20.3 H ALA 16 - QD1 ILE 33 far 0 81 0 - 8.4-20.8 H GLY 18 - QD1 ILE 33 far 0 68 0 - 9.0-18.8 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 3.6-4.0 4583/3.2=80, 2.2/5551=52...(23) HZ PHE 35 + QD1 ILE 33 OK 100 100 100 100 3.3-4.1 4596/3.2=63, 4593=50...(19) HZ PHE 48 - QD1 ILE 33 far 0 100 0 - 7.5-8.8 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 2.1-3.7 3.5/4224=69, 1.7/4210=61...(19) QE TYR 55 - QD1 ILE 33 far 0 100 0 - 6.9-7.5 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 3.3-3.9 4.1=92, 1.8/4215=84...(27) HA ILE 68 - QG2 ILE 33 far 0 63 0 - 8.0-9.2 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 1.9-2.7 4.1=70, 1.8/4214=64...(26) 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 1.9-2.1 4236=89, 1.8/4217=76...(13) 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 2.3-2.4 3.8=74, 1.8/4216=67...(15) HD3 PRO 36 - HA ILE 33 far 0 68 0 - 8.3-8.5 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 4 assignments used, quality = 0.98: QB ALA 28 + HB ILE 33 OK 98 98 100 100 2.0-3.3 4180=90, 4179/2.1=60...(16) HG3 LYS 32 - HB ILE 33 far 0 100 0 - 7.6-8.1 QG2 THR 58 - HB ILE 33 far 0 89 0 - 8.5-11.4 HB2 LEU 51 - HB ILE 33 far 0 99 0 - 9.9-12.3 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 = 1.00: QD1 ILE 40 + QG2 ILE 33 OK 96 99 100 98 2.6-3.9 4300=86, 4313/5597=25...(11) HG3 PRO 34 + QG2 ILE 33 OK 81 81 100 100 3.1-3.9 2.3/4215=65, 2.3/4214=58...(26) QD1 LEU 57 + QG2 ILE 33 OK 60 65 100 92 2.9-3.9 2.1/4612=51...(12) Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.00, 0.71, 10.77 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 57 + QD1 ILE 33 OK 93 98 100 95 2.9-4.1 4861=47, 4614/3.2=31...(16) QD1 ILE 40 + QD1 ILE 33 OK 44 68 95 67 3.6-4.9 4300/3.2=35...(8) Violated in 3 structures by 0.01 A. Peak 4222 from cnoeabs.peaks (1.69, 0.71, 10.77 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.66: HB3 GLN 61 + QD1 ILE 33 OK 66 68 100 96 2.0-3.1 3.0/4224=51, 1.8/4225=33...(16) HB3 LEU 64 - QD1 ILE 33 poor 19 96 20 - 4.3-5.3 HG LEU 29 - QD1 ILE 33 far 0 97 0 - 7.4-8.0 HG3 ARG 66 - QD1 ILE 33 far 0 97 0 - 7.4-8.7 HB3 LYS 13 - QD1 ILE 33 far 0 100 0 - 9.8-24.7 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 96 97 100 99 2.4-3.3 6121/6122=50, 6120=43...(16) HB2 LEU 64 + QD1 ILE 33 OK 67 68 100 98 3.0-4.4 3.1/6122=60, 1.8/5026=37...(20) HG LEU 57 - QD1 ILE 33 far 0 98 0 - 4.8-5.6 HG13 ILE 68 - QD1 ILE 33 far 0 78 0 - 5.4-7.4 HB3 ARG 66 - QD1 ILE 33 far 0 100 0 - 7.9-8.7 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 = 0.84: HG3 GLN 61 + QD1 ILE 33 OK 84 90 95 98 2.4-4.8 3.0/4222=61, 3.5/4213=40...(16) HB ILE 40 - QD1 ILE 33 far 0 78 0 - 7.0-8.6 HB2 PRO 36 - QD1 ILE 33 far 0 81 0 - 8.7-8.9 Violated in 4 structures by 0.11 A. Peak 4225 from cnoeabs.peaks (2.54, 0.71, 10.77 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLN 61 + QD1 ILE 33 OK 95 96 100 100 3.4-4.5 1.8/4222=86, 3.0/4224=63...(17) HG3 MET 31 + QD1 ILE 33 OK 79 93 85 99 3.5-5.1 1.8/4847=49...(18) HB2 ASP 24 - QD1 ILE 33 far 0 90 0 - 6.5-9.2 Violated in 2 structures by 0.01 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 3.3-3.8 1.8/4851=88...(17) HD3 PRO 36 - QD1 ILE 33 far 0 81 0 - 7.8-8.0 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 3.2-4.0 2.1/5196=60, 4228/2.1=50...(17) HA GLN 61 + QD1 ILE 33 OK 98 99 100 99 2.8-3.7 3.0/4222=51, 4.0/4224=36...(26) HA LYS 32 - QD1 ILE 33 far 0 83 0 - 4.8-5.6 HA THR 37 - QD1 ILE 33 far 0 81 0 - 6.0-6.5 HA3 GLY 18 - QD1 ILE 33 far 0 63 0 - 7.3-18.2 HA ARG 66 - QD1 ILE 33 far 0 83 0 - 7.4-8.7 HA2 GLY 18 - QD1 ILE 33 far 0 60 0 - 8.0-18.6 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 10 assignments used, quality = 0.96: HA ALA 28 + HG13 ILE 33 OK 96 96 100 100 2.0-2.9 4172=73, 4175/1.8=65...(14) HA2 GLY 72 - HG2 ARG 69 far 0 50 0 - 4.9-8.2 HA GLN 61 - HG13 ILE 33 far 0 85 0 - 5.1-6.5 HA THR 37 - HG13 ILE 33 far 0 97 0 - 5.5-6.0 HA3 GLY 18 - HG13 ILE 33 far 0 89 0 - 6.9-19.5 HA THR 37 - HG2 ARG 69 far 0 58 0 - 7.1-11.0 HA LEU 62 - HG13 ILE 33 far 0 78 0 - 7.1-8.3 HA2 GLY 18 - HG13 ILE 33 far 0 87 0 - 7.9-20.0 HA VAL 76 - HG2 ARG 69 far 0 42 0 - 8.2-16.5 HA LEU 62 - HG2 ARG 69 far 0 42 0 - 8.5-11.6 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 2.9-4.5 2.1/4219=87, 4228/3.0=68...(13) HA3 GLY 18 - HB ILE 33 far 5 99 5 - 5.2-19.1 HA THR 37 - HB ILE 33 far 0 100 0 - 5.7-6.3 HA2 GLY 18 - HB ILE 33 far 0 99 0 - 5.9-19.5 HA GLN 61 - HB ILE 33 far 0 60 0 - 7.0-8.1 HA LEU 62 - HB ILE 33 far 0 96 0 - 8.8-10.0 Violated in 1 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (3.95, 1.44, 27.27 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: HA ALA 28 + HG12 ILE 33 OK 99 99 100 100 2.0-2.9 4228/1.8=77, 4175=72...(20) HA LYS 32 + HG12 ILE 33 OK 28 65 55 78 4.0-5.1 3.6/574=60, 3.0/5541=24...(5) HA GLN 61 - HG12 ILE 33 far 5 92 5 - 4.8-6.5 HA3 GLY 18 - HG12 ILE 33 far 0 81 0 - 6.6-20.6 HA THR 37 - HG12 ILE 33 far 0 93 0 - 7.0-7.6 HA LEU 62 - HG12 ILE 33 far 0 68 0 - 7.6-9.1 HA2 GLY 18 - HG12 ILE 33 far 0 78 0 - 7.7-21.0 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 2.4-2.9 4851=83, 1682/4215=64...(15) QD2 LEU 57 + HD2 PRO 34 OK 99 99 100 100 1.9-2.3 4603=92, 4605/1.8=65...(16) 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 1.9-2.7 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 3.3-3.8 4851/1.8=68...(17) QD2 LEU 57 + HD3 PRO 34 OK 93 93 100 100 2.4-3.2 4605=72, 4603/1.8=69...(17) QD2 LEU 57 - HD3 PRO 36 far 0 38 0 - 7.7-8.5 QD1 ILE 33 - HD3 PRO 36 far 0 42 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 4234 from cnoeabs.peaks (0.30, 3.54, 50.48 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.96: QG2 ILE 33 + HD3 PRO 34 OK 95 95 100 100 3.3-3.9 4.1=100 QG2 ILE 33 + HD3 PRO 36 OK 27 39 100 68 4.9-5.2 4248/4.8=54...(3) 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 1.9-2.1 4216=100, 4217/1.8=81...(13) HD2 PRO 36 - HD2 PRO 34 far 0 90 0 - 8.1-8.3 HA LEU 51 - HD2 PRO 34 far 0 100 0 - 8.7-10.1 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 2.3-2.4 4217=67, 4216/1.8=51...(15) HD2 PRO 36 + HD3 PRO 36 OK 36 36 100 100 1.8-1.8 1.8=100 HA LEU 51 - HD3 PRO 36 far 0 44 0 - 8.2-10.2 HA ILE 33 - HD3 PRO 36 far 0 45 0 - 8.3-8.5 HD2 PRO 36 - HD3 PRO 34 far 0 90 0 - 9.0-9.1 HA LEU 51 - HD3 PRO 34 far 0 100 0 - 9.8-11.4 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 3.6-3.8 4243/1.8=85, 4649/2.3=80...(25) 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 1.9-2.0 4649/2.3=71, 4242/1.8=68...(25) 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 = 1.00: HZ PHE 35 + HG3 PRO 34 OK 94 95 100 99 4.4-4.5 3.8/4243=64, ~4687=52...(18) QE PHE 35 + HG3 PRO 34 OK 93 93 100 100 2.1-2.2 2.2/4243=84, 4687/2.3=72...(27) 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 3.4-3.5 2.2/4242=90, 4687/2.3=90...(32) HZ PHE 35 + HG2 PRO 34 OK 100 100 100 100 5.6-5.7 4534/4242=73, ~4687=64...(22) 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 2.2-3.9 4666/2.3=77, 5565/1.8=73...(28) 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 2.0-3.6 4666/1.8=78, 4246/2.3=67...(26) QD TYR 55 + HB2 ARG 54 OK 50 50 100 100 2.2-3.8 4634/1.8=92, ~4644=62...(21) QD TYR 55 - HB2 LYS 32 far 0 63 0 - 8.1-10.8 QD TYR 55 - HB3 LYS 32 far 0 63 0 - 8.3-10.1 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...(20) HD3 PRO 34 - HA PHE 35 far 0 90 0 - 6.8-6.9 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...(18) HA ILE 33 - HA PHE 35 far 0 78 0 - 6.6-6.7 HA LEU 51 - HA PHE 35 far 0 68 0 - 8.5-10.5 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 3.0-3.2 4874/1.8=80, 1.8/5577=73...(24) HD3 PRO 34 - HB3 PHE 35 far 0 81 0 - 6.5-6.6 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 4.1-4.2 5577=98, 4260/1.8=85...(23) HA LEU 51 - HB3 PHE 35 far 0 90 0 - 6.1-8.1 HA ILE 33 - HB3 PHE 35 far 0 96 0 - 6.5-6.8 Violated in 1 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 2.8-3.7 4318=99, 2.1/4320=79...(24) HG3 PRO 34 + QD PHE 35 OK 97 97 100 100 1.9-2.0 4243=99, 1.8/4242=88...(25) 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 3.4-3.5 5569=76, 4874/1.8=71...(20) Violated in 0 structures by 0.00 A. Peak 4261 from cnoeabs.peaks (1.56, 3.87, 50.78 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.98: HG2 LYS 39 + HD2 PRO 36 OK 83 92 90 100 4.1-5.7 5208/1.8=61, 2.9/5104=54...(24) HD3 LYS 39 + HD2 PRO 36 OK 72 85 85 100 3.6-7.2 3.5/5104=50, ~4870=42...(25) HD2 LYS 39 + HD2 PRO 36 OK 66 83 80 100 5.1-6.9 3.5/5104=50, ~4870=42...(24) HB3 LEU 29 - HD2 PRO 36 far 0 89 0 - 8.0-12.3 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 13 assignments used, quality = 1.00: HD2 LYS 39 + HD3 PRO 36 OK 97 97 100 100 3.4-5.2 3.0/5208=51, 3.0/5207=41...(26) HD3 LYS 39 + HD3 PRO 36 OK 93 98 95 100 1.9-5.6 3.0/5208=51, 3.0/5207=41...(27) HG2 LYS 39 + HD3 PRO 36 OK 71 71 100 100 2.5-4.0 ~4870=49, ~4894=49...(27) HB3 LEU 51 - HD3 PRO 36 far 0 68 0 - 8.1-9.6 HG LEU 62 - HD3 PRO 34 far 0 43 0 - 9.1-10.1 HD3 LYS 39 - HD3 PRO 34 far 0 42 0 - 9.1-13.0 HB3 LEU 29 - HD3 PRO 36 far 0 99 0 - 9.2-13.2 HD2 LYS 39 - HD3 PRO 34 far 0 42 0 - 9.4-13.0 HB3 LEU 29 - HD3 PRO 34 far 0 43 0 - 9.4-11.5 HG2 LYS 39 - HD3 PRO 34 far 0 26 0 - 9.4-10.5 HB3 ARG 54 - HD3 PRO 36 far 0 71 0 - 9.7-11.5 HB3 ARG 54 - HD3 PRO 34 far 0 26 0 - 9.7-11.4 HB3 LEU 51 - HD3 PRO 34 far 0 25 0 - 9.9-11.8 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...(18) 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...(19) HA PHE 35 - HD3 PRO 34 far 0 43 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (4.98, 2.10, 27.61 ppm; 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=82, 4252/2.3=81...(22) HA PHE 35 + HG2 PRO 36 OK 94 94 100 100 4.5-4.6 4264/2.3=82, 4252/2.3=81...(23) Violated in 12 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 3.0-3.6 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 3.9-4.3 4318/4313=68...(7) 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 4.3-4.7 2.2/4267=85...(8) HZ PHE 35 - HA THR 37 far 0 92 0 - 6.6-7.1 HD22 ASN 42 - HA THR 37 far 0 99 0 - 8.1-8.7 HZ PHE 48 - HA THR 37 far 0 89 0 - 8.7-9.6 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 3.3-4.3 3.6/586=94, 3.8/4274=79...(5) Violated in 0 structures by 0.00 A. Peak 4270 from cnoeabs.peaks (6.65, 1.17, 22.48 ppm; 4.81 A): 0 out of 1 assignment used, quality = 0.00: QD PHE 35 - QG2 THR 37 far 15 100 15 - 4.9-6.1 Violated in 20 structures by 1.08 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 3.0-4.1 4309=71, 3.2/4279=56...(21) HB2 PRO 36 - HA THR 37 far 5 99 5 - 4.5-4.7 HG2 PRO 36 - HA THR 37 far 0 73 0 - 5.3-5.5 HG3 PRO 36 - HA THR 37 far 0 78 0 - 6.7-6.8 Violated in 3 structures by 0.03 A. Peak 4272 from cnoeabs.peaks (1.90, 3.94, 64.91 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: HG12 ILE 40 + HA THR 37 OK 100 100 100 100 2.0-3.9 2.1/4279=86, 2.9/4271=70...(21) HB ILE 68 + HA THR 37 OK 49 100 50 99 4.6-5.3 5246/4279=48...(19) HG13 ILE 68 - HA THR 37 far 0 76 0 - 5.7-7.2 HB2 GLU 19 - HA THR 37 far 0 98 0 - 6.3-16.9 HB VAL 41 - HA THR 37 far 0 60 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 4273 from cnoeabs.peaks (1.90, 4.22, 68.34 ppm; 4.89 A): 3 out of 7 assignments used, quality = 1.00: HB ILE 68 + HB THR 37 OK 99 99 100 100 4.2-5.8 2.1/4763=91, ~4754=67...(17) HG12 ILE 40 + HB THR 37 OK 80 100 80 100 4.3-5.8 2.1/4282=86, 4277/2.1=81...(15) HG13 ILE 68 + HB THR 37 OK 41 83 50 100 4.6-6.2 3.2/4763=77, 1.8/4882=59...(14) HB2 GLU 19 - HB THR 37 far 10 99 10 - 5.5-14.9 HB VAL 41 - HB THR 37 far 0 68 0 - 6.2-8.7 HB2 ARG 26 - HB THR 37 far 0 73 0 - 8.0-10.9 HB3 ARG 26 - HB THR 37 far 0 76 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (2.09, 1.17, 22.48 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.80: HG2 PRO 36 + QG2 THR 37 OK 80 100 90 89 5.1-5.8 115/586=66, 3.8/4269=42...(4) HG3 PRO 36 - QG2 THR 37 far 0 100 0 - 5.7-6.4 HB3 MET 31 - QG2 THR 37 far 0 81 0 - 7.8-10.5 Violated in 20 structures by 0.72 A. Peak 4275 from cnoeabs.peaks (2.28, 1.17, 22.48 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.91: HG2 GLU 25 + QG2 THR 37 OK 72 81 90 100 2.1-6.2 4164=80, 1.8/5513=76...(9) HG3 GLU 25 + QG2 THR 37 OK 66 78 85 100 1.9-6.4 1.8/4164=81, 4.1/4162=72...(9) Violated in 2 structures by 0.04 A. Peak 4276 from cnoeabs.peaks (2.57, 1.17, 22.48 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.79: HB2 ASP 24 + QG2 THR 37 OK 59 85 80 87 2.5-6.6 1.8/4835=58...(9) HB3 ASP 24 + QG2 THR 37 OK 50 93 65 82 2.6-6.7 4835=57, 4160/4754=38...(6) Violated in 6 structures by 0.18 A. Peak 4277 from cnoeabs.peaks (1.90, 1.17, 22.48 ppm; 4.60 A): 1 out of 8 assignments used, quality = 0.50: HG12 ILE 40 + QG2 THR 37 OK 50 100 50 100 4.5-6.1 4837/6128=61...(19) HB ILE 68 - QG2 THR 37 far 15 100 15 - 5.1-6.2 HG13 ILE 68 - QG2 THR 37 far 11 76 15 - 4.8-6.9 HB VAL 41 - QG2 THR 37 far 3 60 5 - 5.2-7.4 HB2 GLU 19 - QG2 THR 37 lone 0 98 25 1 3.2-11.5 HB2 ARG 26 - QG2 THR 37 far 0 81 0 - 6.3-9.3 HB3 ARG 26 - QG2 THR 37 far 0 83 0 - 7.3-9.4 HB3 PRO 34 - QG2 THR 37 far 0 65 0 - 9.6-11.8 Violated in 17 structures by 0.79 A. Peak 4278 from cnoeabs.peaks (1.76, 1.17, 22.48 ppm; 5.07 A): 0 out of 11 assignments used, quality = 0.00: HB ILE 33 - QG2 THR 37 poor 20 100 20 - 4.2-7.0 HG3 ARG 71 - QG2 THR 37 far 0 93 0 - 6.3-10.4 HB3 LYS 39 - QG2 THR 37 far 0 89 0 - 6.4-7.8 HG3 ARG 26 - QG2 THR 37 far 0 89 0 - 6.4-8.5 HB3 ARG 17 - QG2 THR 37 far 0 78 0 - 6.7-14.1 HB3 LYS 32 - QG2 THR 37 far 0 99 0 - 9.1-12.3 HB3 LYS 75 - QG2 THR 37 far 0 78 0 - 9.1-16.7 HB2 LYS 32 - QG2 THR 37 far 0 99 0 - 9.3-12.0 HB2 PRO 34 - QG2 THR 37 far 0 93 0 - 9.3-11.3 HG2 PRO 34 - QG2 THR 37 far 0 99 0 - 9.4-11.7 HB3 LYS 73 - QG2 THR 37 far 0 96 0 - 9.8-12.3 Violated in 17 structures by 0.32 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 1.9-3.5 4313=68, 3.2/4271=46...(22) QD1 LEU 57 - HA THR 37 far 0 90 0 - 7.4-8.1 Violated in 1 structures by 0.01 A. Peak 4280 from cnoeabs.peaks (0.93, 3.94, 64.91 ppm; 3.98 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 40 + HA THR 37 OK 100 100 100 100 4.0-4.8 4310=89, 2.1/4271=78...(19) QG2 VAL 41 + HA THR 37 OK 65 98 70 94 4.3-5.9 4330/4308=37...(12) HG12 ILE 68 + HA THR 37 OK 24 100 25 96 4.6-6.5 4882/3.0=33, 2.1/4281=32...(14) QD1 LEU 64 - HA THR 37 far 3 60 5 - 4.5-7.6 QD2 LEU 43 - HA THR 37 far 0 85 0 - 8.6-9.1 Violated in 2 structures by 0.01 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 2.8-4.4 5247/4313=64...(20) QG2 ILE 68 + HA THR 37 OK 87 87 100 100 2.6-3.8 4754/3.2=61...(23) QG1 VAL 41 - HA THR 37 far 0 100 0 - 6.9-8.2 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 = 0.93: QD1 ILE 40 + HB THR 37 OK 93 98 95 100 3.0-5.3 4314=85, 4279/3.0=75...(20) QD1 LEU 57 - HB THR 37 far 0 68 0 - 8.4-9.6 Violated in 1 structures by 0.05 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 99 1.9-4.0 4763=70, 4754/2.1=63...(19) QD1 ILE 68 + HB THR 37 OK 90 92 100 98 2.8-3.8 2.9/4763=50...(18) QG1 VAL 41 - HB THR 37 far 0 100 0 - 6.1-9.1 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 = 0.91: QG2 ILE 68 + QG2 THR 37 OK 84 87 100 96 3.0-3.7 4754=61, 4763/2.1=41...(19) QD1 ILE 68 + QG2 THR 37 OK 43 97 45 97 2.8-4.9 2.9/4754=46...(19) QG1 VAL 41 - QG2 THR 37 far 0 100 0 - 5.5-7.5 Violated in 14 structures by 0.09 A. Peak 4285 from cnoeabs.peaks (0.30, 1.17, 22.48 ppm; 4.07 A): 0 out of 1 assignment used, quality = 0.00: QG2 ILE 33 - QG2 THR 37 far 14 97 15 - 4.1-6.2 Violated in 20 structures by 1.44 A. Peak 4286 from cnoeabs.peaks (6.94, 1.17, 22.48 ppm; 4.60 A): 0 out of 4 assignments used, quality = 0.00: QE PHE 35 - QG2 THR 37 far 5 100 5 - 5.2-6.8 HD22 ASN 42 - QG2 THR 37 far 0 100 0 - 5.8-8.5 HZ PHE 35 - QG2 THR 37 far 0 100 0 - 6.8-8.9 HZ PHE 48 - QG2 THR 37 far 0 99 0 - 9.5-10.6 Violated in 20 structures by 1.05 A. Peak 4287 from cnoeabs.peaks (7.62, 4.28, 56.69 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: HD21 ASN 42 + HA ASP 38 OK 99 100 100 99 3.1-4.0 1.7/4357=51, 4356=50...(14) H VAL 41 + HA ASP 38 OK 98 100 100 99 3.0-3.9 610/5355=62, 4.0/4890=46...(12) HD21 ASN 74 - HA ASP 38 far 0 95 0 - 9.4-15.7 Violated in 0 structures by 0.00 A. Peak 4288 from cnoeabs.peaks (7.62, 2.62, 40.03 ppm; 4.74 A): 4 out of 4 assignments used, quality = 1.00: HD21 ASN 42 + HB3 ASP 38 OK 99 100 100 99 3.4-5.4 4358=64, 4356/3.0=46...(10) HD21 ASN 42 + HB2 ASP 38 OK 94 100 95 99 3.2-5.7 4358/1.8=57, 4356/3.0=46...(10) H VAL 41 + HB3 ASP 38 OK 46 99 60 77 5.0-5.9 5632/4.7=45, 4287/3.0=38 H VAL 41 + HB2 ASP 38 OK 34 99 45 77 4.8-6.2 5632/4.7=45, 4287/3.0=38 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 + HB3 ASP 38 OK 99 100 100 99 2.9-5.3 4357/3.0=63, 1.7/4358=62...(8) HD22 ASN 42 + HB2 ASP 38 OK 99 100 100 99 2.9-5.5 4357/3.0=63, 4359/1.8=52...(8) QE PHE 35 - HB2 ASP 38 far 0 100 0 - 8.3-9.9 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): 6 out of 8 assignments used, quality = 1.00: HG2 PRO 36 + HB2 ASP 38 OK 86 99 100 87 3.5-5.9 2.3/5936=31, 4879/4.0=28...(8) HB2 PRO 36 + HB2 ASP 38 OK 68 76 100 90 2.9-5.0 4292/4.0=47, 4867/4.7=38...(7) HB2 PRO 36 + HB3 ASP 38 OK 68 76 100 89 3.0-4.9 4292/4.0=47, 4867/4.7=38...(7) HG2 PRO 36 + HB3 ASP 38 OK 60 99 70 87 4.2-6.2 2.3/5936=30, 4879/4.0=28...(8) HG3 PRO 36 + HB2 ASP 38 OK 51 99 60 86 4.2-6.4 2.3/5936=31, 4879/4.0=28...(8) HG3 PRO 36 + HB3 ASP 38 OK 26 99 30 86 4.8-6.7 2.3/5936=30, 4879/4.0=28...(8) HB ILE 40 - HB3 ASP 38 far 0 78 0 - 6.4-7.5 HB ILE 40 - HB2 ASP 38 far 0 78 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (0.81, 3.63, 64.52 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 43 + HA ILE 40 OK 93 93 100 99 2.8-4.1 2.1/5125=64, 4703=51...(13) QG2 ILE 68 + HA ILE 40 OK 69 99 70 100 4.3-5.7 4753/3.0=62, 5249/4.1=57...(18) QG1 VAL 41 - HA ILE 40 far 0 83 0 - 6.0-6.1 QD2 LEU 64 - HA ILE 40 far 0 60 0 - 7.9-9.9 QD2 LEU 29 - HA ILE 40 far 0 60 0 - 10.0-14.1 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 1.9-3.1 4753=72, 5249/3.2=63...(27) QD1 ILE 68 + HB ILE 40 OK 72 76 95 99 3.8-5.0 2.9/4753=48, 5247/3.2=47...(23) QG1 VAL 41 - HB ILE 40 far 0 99 0 - 5.0-5.2 QD1 LEU 43 - HB ILE 40 far 0 68 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (0.80, 0.93, 18.83 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + QG2 ILE 40 OK 99 100 100 99 2.0-3.2 5249/1942=45...(32) QD1 ILE 68 + QG2 ILE 40 OK 67 73 95 96 3.0-4.1 2781=34, 5247/3.0=32...(25) QD1 LEU 43 - QG2 ILE 40 far 0 71 0 - 4.2-5.3 QG1 VAL 41 - QG2 ILE 40 far 0 98 0 - 4.5-5.1 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 1.9-3.3 5249=92, 2.9/5247=49...(30) QD1 ILE 68 + QD1 ILE 40 OK 80 81 100 99 1.8-3.0 5247=68, 2.9/5249=51...(25) QD1 LEU 43 - QD1 ILE 40 far 0 63 0 - 4.6-6.0 QG1 VAL 41 - QD1 ILE 40 far 0 99 0 - 6.1-6.6 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 2.6-3.9 4220=40, 5376/5247=33...(11) Violated in 1 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 2.7-4.5 5173/1942=53...(18) Violated in 1 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (1.41, 0.93, 18.83 ppm; 3.65 A): 1 out of 6 assignments used, quality = 0.86: HB3 ARG 69 + QG2 ILE 40 OK 86 89 100 97 1.9-4.3 1.8/4303=63, 4.0/4326=40...(15) HG3 LYS 39 - QG2 ILE 40 far 15 99 15 - 4.3-7.6 HB3 LEU 43 - QG2 ILE 40 far 0 68 0 - 5.3-6.5 QB ALA 78 - QG2 ILE 40 far 0 73 0 - 7.0-16.8 HG3 LYS 73 - QG2 ILE 40 far 0 73 0 - 7.2-9.5 QB ALA 53 - QG2 ILE 40 far 0 85 0 - 8.7-10.1 Violated in 9 structures by 0.18 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 2.4-4.2 1.8/4302=85, 760/4326=56...(16) HB2 LYS 73 - QG2 ILE 40 far 0 95 0 - 5.1-8.0 HB3 LYS 39 - QG2 ILE 40 far 0 65 0 - 5.3-6.8 HB3 LYS 75 - QG2 ILE 40 far 0 78 0 - 9.0-13.7 Violated in 5 structures by 0.03 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 3.8-4.8 3.0/5033=93, 2.1/5035=58...(17) 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 4.9-5.8 2.6/4318=90, ~4322=57...(13) HB3 ASP 67 - QD1 ILE 40 far 13 85 15 - 5.8-7.7 HB3 PHE 48 - QD1 ILE 40 far 8 76 10 - 5.2-8.1 Violated in 3 structures by 0.04 A. Peak 4306 from cnoeabs.peaks (1.79, 1.03, 14.28 ppm; 4.89 A): 2 out of 10 assignments used, quality = 0.90: HB2 ARG 69 + QD1 ILE 40 OK 73 99 75 99 3.9-6.3 4303/1942=67, ~4302=61...(15) HB ILE 33 + QD1 ILE 40 OK 62 68 95 96 4.5-6.1 2.1/4300=94, 3.2/4221=18...(5) HB3 LYS 39 - QD1 ILE 40 far 14 96 15 - 4.5-6.7 HB2 LYS 73 - QD1 ILE 40 far 0 63 0 - 7.7-9.8 HB2 LEU 57 - QD1 ILE 40 far 0 63 0 - 7.8-8.4 HB2 PRO 34 - QD1 ILE 40 far 0 92 0 - 8.1-8.8 HB2 ARG 54 - QD1 ILE 40 far 0 60 0 - 8.7-10.5 HB3 LYS 73 - QD1 ILE 40 far 0 89 0 - 8.8-11.2 HB2 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.0-10.8 HB3 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.5-11.5 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 4 assignments used, quality = 1.00: HA THR 37 + HB ILE 40 OK 100 100 100 100 3.0-4.1 4271=99, 4310/2.1=69...(21) HA ALA 28 - HB ILE 40 far 0 71 0 - 7.8-9.5 HA3 GLY 21 - HB ILE 40 far 0 87 0 - 8.8-17.1 HA LEU 62 - HB ILE 40 far 0 98 0 - 9.4-10.5 Violated in 1 structures by 0.00 A. Peak 4310 from cnoeabs.peaks (3.93, 0.93, 18.83 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.99: HA THR 37 + QG2 ILE 40 OK 99 99 100 100 4.0-4.8 4271/2.1=82, 4279/3.0=73...(19) HA LEU 62 - QG2 ILE 40 far 0 100 0 - 6.4-7.1 HA ALA 28 - QG2 ILE 40 far 0 60 0 - 7.1-8.3 HA3 GLY 21 - QG2 ILE 40 far 0 78 0 - 8.7-16.0 HA2 GLY 18 - QG2 ILE 40 far 0 100 0 - 10.0-17.8 Violated in 11 structures by 0.16 A. Peak 4311 from cnoeabs.peaks (3.94, 1.90, 28.19 ppm; 4.80 A): 1 out of 7 assignments used, quality = 1.00: HA THR 37 + HG12 ILE 40 OK 100 100 100 100 2.0-3.9 4279/2.1=98, 4271/2.9=86...(21) HA ALA 28 - HG12 ILE 40 far 0 83 0 - 6.8-9.1 HA2 GLY 72 - HG12 ILE 40 far 0 71 0 - 7.2-9.8 HA LEU 62 - HG12 ILE 40 far 0 93 0 - 8.1-10.2 HA2 GLY 18 - HG12 ILE 40 far 0 97 0 - 8.2-19.1 HA3 GLY 18 - HG12 ILE 40 far 0 98 0 - 8.8-19.8 HA GLN 61 - HG12 ILE 40 far 0 65 0 - 9.3-11.2 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 10 assignments used, quality = 0.98: HA THR 37 + QD1 ILE 40 OK 98 98 100 100 1.9-3.5 4279=83, 4271/3.2=51...(22) HA ALA 28 - QD1 ILE 40 far 5 95 5 - 4.4-6.2 HA LEU 62 - QD1 ILE 40 far 0 81 0 - 5.6-6.8 HA2 GLY 72 - QD1 ILE 40 far 0 87 0 - 5.8-7.9 HA GLN 61 - QD1 ILE 40 far 0 83 0 - 6.6-7.5 HA3 GLY 18 - QD1 ILE 40 far 0 90 0 - 7.3-15.7 HA2 GLY 18 - QD1 ILE 40 far 0 89 0 - 7.7-16.8 HA3 GLY 21 - QD1 ILE 40 far 0 99 0 - 8.2-14.1 HA GLU 50 - QD1 ILE 40 far 0 85 0 - 9.5-11.3 HA2 GLY 21 - QD1 ILE 40 far 0 99 0 - 9.6-15.0 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 3 assignments used, quality = 1.00: HB THR 37 + QD1 ILE 40 OK 100 100 100 100 3.0-5.3 4282=98, 3.0/4313=81...(20) HA LYS 39 - QD1 ILE 40 far 0 65 0 - 5.7-6.5 HA GLN 79 - QD1 ILE 40 far 0 68 0 - 9.2-25.4 Violated in 1 structures by 0.03 A. Peak 4315 from cnoeabs.peaks (4.22, 2.12, 38.15 ppm; 5.45 A): 2 out of 3 assignments used, quality = 1.00: HB THR 37 + HB ILE 40 OK 100 100 100 100 4.2-5.8 3.0/4271=94, 4282/3.2=83...(17) HA LYS 39 + HB ILE 40 OK 69 71 100 97 5.7-6.0 3.6/603=93, 5212/2.1=30...(4) HA GLN 79 - HB ILE 40 far 0 63 0 - 9.8-28.4 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 2.3-4.1 4611=100, 4323/1942=73...(22) 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 1.9-2.4 2.2/4318=56, 4577=45...(29) HZ PHE 35 + QD1 ILE 40 OK 99 100 100 99 3.5-4.1 4588/2.1=50...(23) HZ PHE 48 - QD1 ILE 40 far 5 100 5 - 4.1-5.8 HD22 ASN 42 - QD1 ILE 40 far 0 97 0 - 8.0-8.9 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 2.8-3.7 4562/2.1=57, 4322/2.1=55...(24) 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 2.1-3.9 2.2/4320=59, ~4588=49...(21) HZ PHE 35 + HG13 ILE 40 OK 40 100 40 99 4.2-6.3 4588/1.8=73...(14) HZ PHE 48 - HG13 ILE 40 far 0 100 0 - 5.7-8.1 HD22 ASN 42 - HG13 ILE 40 far 0 98 0 - 7.7-10.2 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 2.7-3.7 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): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG12 ILE 40 OK 100 100 100 100 2.0-4.1 2.2/4588=72, 2.2/4322=66...(22) HZ PHE 35 + HG12 ILE 40 OK 65 100 65 100 4.3-6.2 4588=98, 4534/4322=51...(15) HZ PHE 48 - HG12 ILE 40 far 0 100 0 - 6.2-8.2 HD22 ASN 42 - HG12 ILE 40 far 0 97 0 - 7.9-9.8 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 2.6-5.0 4318/2.1=81, 4657/605=70...(20) Violated in 1 structures by 0.01 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 1.9-2.5 2.2/4617=70, 4612=66...(27) 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 3.4-4.2 4617=95, 2.2/4323=70...(23) QE PHE 35 + QG2 ILE 40 OK 92 92 100 100 3.2-4.7 4578=43, 5121/3.2=43...(28) HZ PHE 35 - QG2 ILE 40 far 14 93 15 - 4.6-6.1 HD22 ASN 42 - QG2 ILE 40 far 0 78 0 - 7.1-8.4 Violated in 1 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (7.07, 3.63, 64.52 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 48 + HA ILE 40 OK 99 99 100 100 2.5-3.3 2.2/5120=73, 4621=55...(17) QD TYR 81 - HA ILE 40 far 0 100 0 - 8.8-25.4 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 2.4-3.6 292=68, 760/4303=51...(19) H ARG 70 - QG2 ILE 40 far 11 73 15 - 4.3-5.5 H GLY 72 - QG2 ILE 40 far 0 93 0 - 4.9-6.6 H LYS 73 - QG2 ILE 40 far 0 83 0 - 5.1-7.0 H ALA 63 - QG2 ILE 40 far 0 100 0 - 8.2-9.1 H LEU 29 - QG2 ILE 40 far 0 71 0 - 9.2-10.9 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 = 1.00: H GLY 72 + QG1 VAL 41 OK 100 100 100 100 3.0-4.9 5055/2.1=75, 3.0/4338=68...(17) H LYS 73 + QG1 VAL 41 OK 97 97 100 100 2.0-3.8 5264=92, 5263/2.1=66...(21) H ARG 69 - QG1 VAL 41 far 0 100 0 - 5.6-6.6 H VAL 76 - QG1 VAL 41 far 0 68 0 - 6.3-10.5 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (7.98, 0.94, 22.13 ppm; 4.20 A): 4 out of 5 assignments used, quality = 1.00: H ARG 69 + QG2 VAL 41 OK 99 100 100 99 3.8-5.1 2.9/5130=72, 291/1982=30...(17) H GLY 72 + QG2 VAL 41 OK 98 98 100 100 2.1-3.9 5055=98, 3.0/4335=66...(21) H LYS 73 + QG2 VAL 41 OK 92 92 100 100 2.7-4.3 5263=78, 3.0/5402=64...(19) H ARG 70 + QG2 VAL 41 OK 25 60 45 91 4.2-5.8 3.6/5130=63, 4.3/4347=23...(10) H VAL 76 - QG2 VAL 41 far 0 78 0 - 7.5-12.4 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 4.8-4.9 4367/2.1=90, 1.7/4363=89...(12) HZ PHE 48 - QG2 VAL 41 far 5 100 5 - 5.7-8.2 QE PHE 35 - QG2 VAL 41 far 0 100 0 - 6.7-7.5 HZ PHE 35 - QG2 VAL 41 far 0 100 0 - 8.6-9.4 Violated in 0 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 3.4-4.6 915/4.0=70, 3.9/4349=53...(13) 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 4.2-4.4 4367=85, 1.7/4364=84...(14) HD22 ASN 74 - QG1 VAL 41 far 8 76 10 - 5.4-9.2 HZ PHE 48 - QG1 VAL 41 far 0 78 0 - 7.0-9.3 QE PHE 35 - QG1 VAL 41 far 0 85 0 - 8.7-9.4 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 2.9-4.2 5355=97, 4337/2.1=79...(10) HA LYS 39 - HB VAL 41 far 0 87 0 - 5.6-6.3 HA ALA 20 - HB VAL 41 far 0 99 0 - 7.9-19.9 HA GLU 19 - HB VAL 41 far 0 97 0 - 8.2-22.6 HA LYS 75 - HB VAL 41 far 0 73 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (4.26, 0.80, 21.38 ppm; 4.65 A): 1 out of 6 assignments used, quality = 0.89: HA ASP 38 + QG1 VAL 41 OK 89 89 100 100 4.4-5.5 4337/2.1=89, 4333/2.1=81...(9) HA LYS 39 - QG1 VAL 41 far 0 96 0 - 6.4-7.0 HA LYS 75 - QG1 VAL 41 far 0 87 0 - 6.6-9.2 HA ALA 77 - QG1 VAL 41 far 0 60 0 - 7.7-14.2 HA ALA 20 - QG1 VAL 41 far 0 100 0 - 7.8-17.7 HA GLU 19 - QG1 VAL 41 far 0 100 0 - 8.4-20.3 Violated in 18 structures by 0.42 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 1.9-4.1 4794=89, 1.8/4796=65...(15) Violated in 1 structures by 0.01 A. Peak 4336 from cnoeabs.peaks (3.96, 0.94, 22.13 ppm; 3.93 A): 2 out of 7 assignments used, quality = 1.00: HA2 GLY 72 + QG2 VAL 41 OK 100 100 100 100 1.9-3.0 4796=76, 1.8/4335=75...(19) HA THR 37 + QG2 VAL 41 OK 45 76 65 90 4.3-5.9 3.6/5598=34...(12) HA3 GLY 21 - QG2 VAL 41 far 0 99 0 - 5.7-13.3 HA VAL 76 - QG2 VAL 41 far 0 98 0 - 5.8-13.6 HA ARG 66 - QG2 VAL 41 far 0 87 0 - 6.6-7.8 HA2 GLY 21 - QG2 VAL 41 far 0 99 0 - 7.0-13.8 HA ALA 28 - QG2 VAL 41 far 0 100 0 - 8.3-10.0 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 6 assignments used, quality = 0.90: HA ASP 38 + QG2 VAL 41 OK 90 90 100 99 2.5-4.2 4890=80, 5355/2.1=67...(11) HA LYS 39 - QG2 VAL 41 far 0 95 0 - 5.5-6.4 HA ALA 20 - QG2 VAL 41 far 0 100 0 - 7.0-15.6 HA GLU 19 - QG2 VAL 41 far 0 99 0 - 7.6-18.1 HA LYS 75 - QG2 VAL 41 far 0 85 0 - 7.6-10.6 HA LEU 64 - QG2 VAL 41 far 0 100 0 - 8.7-9.8 Violated in 2 structures by 0.02 A. Peak 4338 from cnoeabs.peaks (3.73, 0.80, 21.38 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.98: HA3 GLY 72 + QG1 VAL 41 OK 98 98 100 100 2.8-4.7 1.8/4339=72, 4795=71...(14) Violated in 3 structures by 0.04 A. Peak 4339 from cnoeabs.peaks (3.95, 0.80, 21.38 ppm; 4.07 A): 1 out of 7 assignments used, quality = 0.98: HA2 GLY 72 + QG1 VAL 41 OK 98 98 100 100 1.9-3.7 1.8/4338=79, 4796/2.1=65...(17) HA VAL 76 - QG1 VAL 41 far 5 93 5 - 4.8-11.8 HA3 GLY 21 - QG1 VAL 41 far 0 100 0 - 6.9-14.9 HA THR 37 - QG1 VAL 41 far 0 87 0 - 6.9-8.2 HA ARG 66 - QG1 VAL 41 far 0 76 0 - 7.9-8.9 HA2 GLY 21 - QG1 VAL 41 far 0 100 0 - 8.0-15.5 HA3 GLY 18 - QG1 VAL 41 far 0 71 0 - 9.6-21.3 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 = 1.00: HA ASN 42 + QG1 VAL 41 OK 100 100 100 100 3.7-4.0 3.0/147=75, 3.0/4351=55...(11) Violated in 0 structures by 0.00 A. Peak 4341 from cnoeabs.peaks (1.38, 3.58, 65.23 ppm; 3.93 A): 2 out of 8 assignments used, quality = 0.86: HG3 ARG 69 + HA VAL 41 OK 69 100 70 99 2.3-7.0 5253=66, 1.8/4342=55...(19) HB3 ARG 69 + HA VAL 41 OK 55 93 60 99 3.6-5.6 3.0/5253=49, 3.0/4342=46...(22) HG3 LYS 73 - HA VAL 41 far 0 99 0 - 5.0-7.5 HG3 LYS 39 - HA VAL 41 far 0 73 0 - 6.8-9.1 QB ALA 77 - HA VAL 41 far 0 100 0 - 6.9-16.7 QB ALA 78 - HA VAL 41 far 0 99 0 - 7.3-18.7 QB ALA 20 - HA VAL 41 far 0 100 0 - 7.5-19.2 HG3 LYS 75 - HA VAL 41 far 0 98 0 - 9.1-13.9 Violated in 8 structures by 0.13 A. Peak 4342 from cnoeabs.peaks (1.22, 3.58, 65.23 ppm; 4.69 A): 1 out of 6 assignments used, quality = 0.49: HG2 ARG 69 + HA VAL 41 OK 49 76 65 100 2.5-6.5 1.8/5253=83, 5254=72...(18) HG13 ILE 40 - HA VAL 41 far 0 93 0 - 6.0-6.6 QG1 VAL 65 - HA VAL 41 far 0 92 0 - 6.1-8.0 QG2 VAL 65 - HA VAL 41 far 0 100 0 - 7.9-9.4 QG2 THR 15 - HA VAL 41 far 0 68 0 - 9.3-25.4 HG LEU 52 - HA VAL 41 far 0 78 0 - 9.5-11.0 Violated in 9 structures by 0.57 A. Peak 4343 from cnoeabs.peaks (2.03, 3.58, 65.23 ppm; 4.88 A): 2 out of 5 assignments used, quality = 0.90: HD2 ARG 69 + HA VAL 41 OK 80 100 80 100 2.0-7.2 3.0/5253=72, 3.0/4342=69...(15) HD3 ARG 69 + HA VAL 41 OK 50 100 50 100 3.0-7.7 3.0/5253=72, 3.0/4342=69...(15) HB VAL 76 - HA VAL 41 far 0 93 0 - 8.3-16.3 HG2 PRO 44 - HA VAL 41 far 0 89 0 - 8.8-9.6 HG2 ARG 66 - HA VAL 41 far 0 83 0 - 9.9-12.3 Violated in 6 structures by 0.26 A. Peak 4344 from cnoeabs.peaks (1.39, 0.80, 21.38 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.98: HG3 LYS 73 + QG1 VAL 41 OK 94 100 95 99 3.1-4.9 1.8/4904=67, 5258=53...(14) HG3 ARG 69 + QG1 VAL 41 OK 64 92 70 99 3.5-7.1 1.8/4903=63, 5253/3.2=44...(21) HB3 ARG 69 - QG1 VAL 41 poor 20 100 20 - 4.7-5.8 QB ALA 20 - QG1 VAL 41 far 0 93 0 - 4.9-15.5 QB ALA 77 - QG1 VAL 41 far 0 90 0 - 5.1-12.7 QB ALA 78 - QG1 VAL 41 far 0 100 0 - 6.2-14.3 HG3 LYS 75 - QG1 VAL 41 far 0 100 0 - 6.5-10.7 HG2 LYS 75 - QG1 VAL 41 far 0 100 0 - 6.9-11.2 HG3 LYS 39 - QG1 VAL 41 far 0 95 0 - 7.6-8.9 Violated in 3 structures by 0.05 A. Peak 4345 from cnoeabs.peaks (1.63, 0.80, 21.38 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.98: HD2 LYS 73 + QG1 VAL 41 OK 86 87 100 99 2.4-5.2 2.9/4904=66, 3.5/4346=56...(15) HD3 LYS 73 + QG1 VAL 41 OK 82 87 95 99 2.0-5.5 2.9/4904=66, 3.5/4346=56...(15) HG2 ARG 71 - QG1 VAL 41 far 10 98 10 - 5.3-8.8 HG3 ARG 70 - QG1 VAL 41 far 0 90 0 - 6.0-8.9 HG2 ARG 17 - QG1 VAL 41 far 0 97 0 - 8.6-21.1 HB3 LEU 51 - QG1 VAL 41 far 0 60 0 - 9.7-10.4 HG3 ARG 17 - QG1 VAL 41 far 0 98 0 - 9.9-22.1 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (1.78, 0.80, 21.38 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 73 + QG1 VAL 41 OK 99 99 100 100 2.7-5.2 3.0/5403=68, 2.9/4904=66...(17) HB2 ARG 69 - QG1 VAL 41 far 0 89 0 - 5.3-6.5 HB3 LYS 75 - QG1 VAL 41 far 0 100 0 - 5.7-10.6 HB3 LYS 39 - QG1 VAL 41 far 0 100 0 - 8.1-8.5 Violated in 7 structures by 0.08 A. Peak 4347 from cnoeabs.peaks (1.38, 0.94, 22.13 ppm; 4.26 A): 2 out of 10 assignments used, quality = 0.98: HG3 ARG 69 + QG2 VAL 41 OK 85 100 85 100 3.0-6.0 3.9/5130=60, 5253/3.2=56...(24) HB3 ARG 69 + QG2 VAL 41 OK 84 89 95 100 3.9-5.2 3.0/5130=73, 4774=41...(21) QB ALA 20 - QG2 VAL 41 far 5 100 5 - 4.6-13.9 HG3 LYS 73 - QG2 VAL 41 far 0 97 0 - 5.2-6.5 HG3 LYS 39 - QG2 VAL 41 far 0 65 0 - 5.6-8.2 QB ALA 77 - QG2 VAL 41 far 0 100 0 - 6.1-13.6 HG3 LYS 75 - QG2 VAL 41 far 0 96 0 - 7.5-11.8 QB ALA 78 - QG2 VAL 41 far 0 97 0 - 7.5-15.4 HG2 LYS 75 - QG2 VAL 41 far 0 96 0 - 8.3-12.4 QB ALA 16 - QG2 VAL 41 far 0 87 0 - 9.4-18.3 Violated in 2 structures by 0.02 A. Peak 4348 from cnoeabs.peaks (1.79, 0.94, 22.13 ppm; 5.15 A): 3 out of 6 assignments used, quality = 1.00: HB2 ARG 69 + QG2 VAL 41 OK 99 99 100 100 4.0-5.8 3.0/5130=91, ~4903=55...(20) HB3 LYS 73 + QG2 VAL 41 OK 78 87 90 100 3.9-6.2 4346/2.1=86, 3.0/5402=84...(17) HB2 LYS 73 + QG2 VAL 41 OK 65 65 100 100 3.8-4.8 3.0/5402=84, ~4346=70...(22) HB3 LYS 39 - QG2 VAL 41 far 0 95 0 - 6.4-7.6 HB3 LYS 75 - QG2 VAL 41 far 0 99 0 - 7.2-11.6 HB ILE 33 - QG2 VAL 41 far 0 65 0 - 9.2-10.9 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 = 0.63: HB ILE 40 + QG2 VAL 41 OK 63 63 100 100 2.6-2.9 4350/2.1=75, 3.9/4330=59...(15) HB2 PRO 36 - QG2 VAL 41 far 0 60 0 - 6.2-8.1 HG2 PRO 36 - QG2 VAL 41 far 0 100 0 - 6.7-8.4 HG3 PRO 36 - QG2 VAL 41 far 0 100 0 - 7.9-9.7 HB3 PRO 44 - QG2 VAL 41 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4350 from cnoeabs.peaks (2.10, 0.80, 21.38 ppm; 4.97 A): 1 out of 5 assignments used, quality = 0.62: HB ILE 40 + QG1 VAL 41 OK 62 63 100 98 5.0-5.2 4349/2.1=78, ~5210=53...(9) HB3 PRO 44 - QG1 VAL 41 far 0 100 0 - 8.2-9.2 HB2 PRO 36 - QG1 VAL 41 far 0 60 0 - 8.5-9.5 HG2 PRO 36 - QG1 VAL 41 far 0 100 0 - 8.8-9.5 HG3 PRO 36 - QG1 VAL 41 far 0 100 0 - 9.9-10.8 Violated in 20 structures by 0.17 A. Peak 4351 from cnoeabs.peaks (2.77, 0.80, 21.38 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.93: HB2 ASN 42 + QG1 VAL 41 OK 93 93 100 100 5.4-5.5 3.0/4340=75, 4.1/147=70...(11) HB3 ASN 42 - QG1 VAL 41 poor 19 96 20 - 5.8-5.9 HB3 ASN 74 - QG1 VAL 41 far 0 97 0 - 6.5-8.5 Violated in 20 structures by 0.49 A. Peak 4355 from cnoeabs.peaks (4.26, 2.76, 39.67 ppm; 4.52 A): 3 out of 10 assignments used, quality = 1.00: HA LYS 39 + HB3 ASN 42 OK 94 99 100 95 3.3-4.6 5790/4.1=50, 4371/4.4=48...(7) HA LYS 39 + HB2 ASN 42 OK 94 99 100 95 1.9-3.2 5790/4.1=50, 4371/4.4=48...(7) HA ASP 38 + HB2 ASN 42 OK 67 76 100 89 4.1-5.0 4357/3.5=43...(7) HA ASP 38 - HB3 ASN 42 far 0 76 0 - 5.6-6.5 HA ALA 20 - HB2 ASN 42 far 0 100 0 - 7.9-21.7 HA THR 15 - HB2 ASN 42 far 0 97 0 - 8.1-27.5 HA THR 15 - HB3 ASN 42 far 0 97 0 - 8.2-28.9 HA GLU 19 - HB2 ASN 42 far 0 100 0 - 8.2-23.6 HA GLU 19 - HB3 ASN 42 far 0 100 0 - 9.0-25.0 HA ALA 20 - HB3 ASN 42 far 0 100 0 - 9.2-23.1 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 4 assignments used, quality = 0.93: HB VAL 41 + HB3 ASN 42 OK 73 73 100 100 5.5-5.9 ~4351=70, 4906/3.5=69...(9) HB VAL 41 + HB2 ASN 42 OK 73 73 100 100 4.4-5.0 2.1/4351=85, 4906/3.5=69...(9) HB2 GLN 79 - HB2 ASN 42 far 5 94 5 - 6.2-29.8 HB2 GLN 79 - HB3 ASN 42 far 0 95 0 - 6.8-29.3 Violated in 0 structures by 0.00 A. Peak 4361 from cnoeabs.peaks (0.93, 2.76, 39.67 ppm; 4.98 A): 3 out of 10 assignments used, quality = 1.00: QG2 VAL 41 + HB2 ASN 42 OK 99 99 100 100 5.2-5.7 2.1/4351=74, 148/4.1=70...(10) QD2 LEU 43 + HB3 ASN 42 OK 54 89 100 61 3.5-5.0 625/4.4=60 QD2 LEU 43 + HB2 ASN 42 OK 54 88 100 61 3.8-5.0 625/4.4=60 QG2 VAL 41 - HB3 ASN 42 far 0 99 0 - 6.3-6.7 QG2 ILE 40 - HB2 ASN 42 far 0 100 0 - 6.4-7.0 QG2 ILE 40 - HB3 ASN 42 far 0 100 0 - 7.6-8.1 QG2 VAL 76 - HB3 ASN 42 far 0 99 0 - 8.0-18.4 QG2 VAL 76 - HB2 ASN 42 far 0 99 0 - 8.1-18.1 QG1 VAL 76 - HB3 ASN 42 far 0 99 0 - 9.9-17.0 QG1 VAL 76 - HB2 ASN 42 far 0 99 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (0.79, 2.76, 39.67 ppm; 5.06 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 41 + HB3 ASN 42 OK 100 100 100 100 5.8-5.9 4351/1.8=83, 4340/3.0=77...(9) QG1 VAL 41 + HB2 ASN 42 OK 100 100 100 100 5.4-5.5 4351=95, 4340/3.0=77...(10) QG2 ILE 68 - HB2 ASN 42 far 0 88 0 - 6.6-8.2 QG2 ILE 68 - HB3 ASN 42 far 0 89 0 - 7.9-9.5 QD1 ILE 68 - HB2 ASN 42 far 0 96 0 - 8.5-10.1 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 3.8-4.9 4458=100, 4459/1.8=90...(16) H ASP 46 - HB2 LEU 43 far 0 99 0 - 7.2-7.7 Violated in 2 structures by 0.01 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 2.8-3.6 4459=99, 4458/1.8=86...(17) H ASP 46 - HB3 LEU 43 far 0 100 0 - 6.0-6.2 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 2 assignments used, quality = 1.00: QD PHE 48 + QD1 LEU 43 OK 100 100 100 100 3.3-4.3 4624=92, 3.7/4468=58...(18) QD TYR 81 - QD1 LEU 43 far 0 97 0 - 6.6-23.2 Violated in 1 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 2.2-2.4 4398=96, 1.8/4374=74...(13) HA PHE 48 - HA LEU 43 far 0 93 0 - 5.5-6.6 HD2 PRO 44 - HA LYS 13 far 0 91 0 - 7.8-37.5 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 5 assignments used, quality = 0.87: HD3 PRO 44 + HA LEU 43 OK 87 89 100 98 2.1-2.3 1.8/4373=64, 3.8=57...(12) HA ILE 40 - HA LEU 43 far 0 85 0 - 5.8-6.6 HD3 PRO 44 - HA LYS 13 far 0 77 0 - 8.2-38.5 HA ARG 69 - HA LEU 43 far 0 76 0 - 9.1-10.0 HA ILE 40 - HA LYS 13 far 0 73 0 - 9.6-32.6 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 4.0-4.9 4.8=100 HA ILE 40 + HB2 LEU 43 OK 73 73 100 99 2.9-3.9 4372/621=60, 5123=60...(8) HA ARG 69 - HB2 LEU 43 far 0 63 0 - 7.0-8.0 HA VAL 65 - HB2 LEU 43 far 0 68 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (4.05, 1.72, 42.41 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.99: HD2 PRO 44 + HB2 LEU 43 OK 95 95 100 100 3.7-5.0 4.8=85, 4373/3.0=83...(23) HA PHE 48 + HB2 LEU 43 OK 78 78 100 100 3.3-4.3 3.0/4458=63, 3.0/4475=62...(23) 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 2.2-4.1 4.8=86, 4373/3.0=86...(23) HA PHE 48 + HB3 LEU 43 OK 97 97 100 100 3.1-4.1 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 2.5-3.8 4403=93, 4374/3.0=82...(22) 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 2.5-4.7 4382/1.8=88, 1.8/4472=83...(21) HB2 ASN 49 - HB3 LEU 43 far 0 60 0 - 7.4-8.3 HB2 PHE 35 - HB3 LEU 43 far 0 90 0 - 8.6-9.4 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 2.0-4.3 4389/3.1=79, 1.8/4442=78...(18) HB2 ASP 38 - HB3 LEU 43 far 0 76 0 - 8.5-11.2 HB3 ASP 38 - HB3 LEU 43 far 0 73 0 - 9.4-11.2 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 = 0.90: HB3 ASP 47 + HB2 LEU 43 OK 90 100 90 100 3.7-6.1 4380/1.8=85, 4389/3.1=81...(17) HB2 ASP 38 - HB2 LEU 43 far 0 57 0 - 7.2-9.6 Violated in 4 structures by 0.17 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 2.8-5.4 4475=85, 1.8/4471=72...(20) HB2 PHE 35 - HB2 LEU 43 far 0 97 0 - 7.6-8.4 Violated in 4 structures by 0.05 A. Peak 4384 from cnoeabs.peaks (3.96, 0.84, 25.67 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: HA ALA 28 + QD2 LEU 64 OK 100 100 100 100 2.0-3.0 4173=70, 2.1/5162=59...(20) HA GLN 61 + QD2 LEU 64 OK 97 98 100 99 1.9-3.8 5079/5074=44...(18) HA THR 37 - QD2 LEU 64 far 0 83 0 - 5.4-7.5 HA LYS 32 - QD2 LEU 64 far 0 81 0 - 5.7-7.1 HA ARG 66 - QD2 LEU 64 far 0 81 0 - 7.1-8.2 HA3 GLY 18 - QD2 LEU 64 far 0 65 0 - 8.1-17.7 HA2 GLY 18 - QD2 LEU 64 far 0 63 0 - 8.8-18.2 HA2 GLY 72 - QD2 LEU 64 far 0 99 0 - 9.4-12.4 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 = 0.99: HD2 PRO 44 + QD2 LEU 43 OK 99 99 100 100 1.9-3.5 1.8/4388=71, 4401=68...(19) HA PHE 48 - QD2 LEU 43 far 15 100 15 - 4.1-5.2 HA ARG 54 - QD2 LEU 43 far 0 78 0 - 9.8-10.8 Violated in 1 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 2.0-3.3 1.8/4387=72...(17) HA ILE 40 - QD2 LEU 43 far 0 65 0 - 5.3-6.0 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 2.0-3.7 1.8/4907=75, 4448=62...(19) HB2 ASP 38 - QD2 LEU 43 far 0 83 0 - 6.0-9.3 HB3 ASP 38 - QD2 LEU 43 far 0 81 0 - 7.1-9.3 Violated in 1 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (4.24, 1.99, 26.77 ppm; 4.44 A): 1 out of 15 assignments used, quality = 0.91: HA LYS 39 + HG LEU 43 OK 91 92 100 99 2.1-3.6 5357/2.1=76, 4371/623=65...(8) HA THR 15 - HG2 PRO 14 poor 17 57 80 38 4.5-5.5 3.0/5906=24, ~5906=18 HA LYS 39 - HG2 PRO 14 far 3 52 5 - 3.2-29.0 HA LYS 39 - HG3 PRO 14 far 3 52 5 - 3.5-30.4 HA ALA 78 - HG2 PRO 14 far 2 31 5 - 3.3-52.8 HA ALA 78 - HG3 PRO 14 far 2 31 5 - 4.3-53.8 HA THR 15 - HG3 PRO 14 far 0 57 0 - 6.0-6.8 HA ALA 12 - HG3 PRO 14 far 0 40 0 - 6.5-9.2 HA ALA 77 - HG2 PRO 14 far 0 62 0 - 6.9-49.8 HA ALA 12 - HG2 PRO 14 far 0 40 0 - 7.2-8.9 HA ALA 77 - HG3 PRO 14 far 0 62 0 - 7.3-50.8 HA ALA 12 - HG LEU 43 far 0 76 0 - 8.3-37.3 HA THR 15 - HG LEU 43 far 0 97 0 - 9.3-28.3 HA GLU 19 - HG2 PRO 14 far 0 42 0 - 9.6-18.4 HB THR 37 - HG LEU 43 far 0 96 0 - 9.7-10.9 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 4.3-4.6 4431/1.8=96, 6063/2.3=85...(10) H ILE 40 - HB3 PRO 36 far 0 46 0 - 6.3-7.2 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 2 assignments used, quality = 0.99: H ASP 47 + HB3 PRO 44 OK 99 99 100 100 2.9-3.4 4431=99, 6063/2.3=81...(15) HE ARG 54 - HB3 PRO 44 far 0 100 0 - 9.4-15.6 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 1.9-2.1 4431/2.3=90, 6064/1.8=90...(16) HE ARG 54 - HG2 PRO 44 far 0 95 0 - 7.5-13.5 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 3.5-3.8 6064=100, 6063/1.8=98...(9) HE ARG 54 - HG3 PRO 44 far 0 100 0 - 8.9-14.6 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 2 assignments used, quality = 0.97: HB3 ASP 47 + HD2 PRO 44 OK 97 97 100 100 1.9-4.2 4397/1.8=87...(15) HB2 ASP 38 - HD2 PRO 44 far 0 83 0 - 9.6-12.5 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 2 assignments used, quality = 1.00: HB3 ASP 47 + HD3 PRO 44 OK 100 100 100 100 2.0-4.1 4437=77, 1.8/4435=74...(14) HB2 ASP 38 - HD3 PRO 44 far 0 65 0 - 9.5-12.5 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 2.2-2.4 4373=100, 4374/1.8=76...(12) HA LYS 13 - HD2 PRO 44 far 0 99 0 - 7.8-37.5 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 2.1-2.3 3.8=89, 4373/1.8=82...(11) HA LYS 13 - HD3 PRO 44 far 0 99 0 - 8.2-38.5 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 2 assignments used, quality = 1.00: HB3 LEU 43 + HD2 PRO 44 OK 100 100 100 100 2.2-4.1 4.8=100 HG2 LYS 13 - HD2 PRO 44 far 0 87 0 - 9.0-37.0 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 3 assignments used, quality = 0.97: QD2 LEU 43 + HD2 PRO 44 OK 97 97 100 100 1.9-3.5 4387=95, 4388/1.8=81...(19) QG2 ILE 40 - HD2 PRO 44 far 0 100 0 - 7.3-8.5 QG2 VAL 41 - HD2 PRO 44 far 0 100 0 - 8.5-9.0 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 3 assignments used, quality = 0.99: QD1 LEU 43 + HD2 PRO 44 OK 99 99 100 100 3.7-5.4 2.1/4387=98, ~4388=84...(19) QG1 VAL 41 - HD2 PRO 44 far 0 65 0 - 7.0-8.6 QG2 ILE 68 - HD2 PRO 44 far 0 93 0 - 9.8-11.2 Violated in 3 structures by 0.02 A. Peak 4403 from cnoeabs.peaks (1.44, 3.67, 50.94 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 43 + HD3 PRO 44 OK 100 100 100 100 2.5-3.8 4378=99, 3.0/4399=83...(22) HG2 LYS 13 - HD3 PRO 44 far 0 96 0 - 9.6-38.0 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 5 assignments used, quality = 0.89: QD2 LEU 43 + HD3 PRO 44 OK 89 89 100 100 2.0-3.3 4388=87, 4401/1.8=85...(17) QG2 ILE 40 - HD3 PRO 44 far 0 100 0 - 7.5-8.9 QG2 VAL 41 - HD3 PRO 44 far 0 99 0 - 8.7-9.2 QG2 VAL 76 - HD3 PRO 44 far 0 99 0 - 9.6-20.0 QG1 VAL 76 - HD3 PRO 44 far 0 99 0 - 9.7-18.5 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 1 assignment used, quality = 1.00: QD1 LEU 43 + HD3 PRO 44 OK 100 100 100 100 4.1-5.2 2.1/4388=97, ~4387=79...(17) Violated in 16 structures by 0.05 A. Peak 4406 from cnoeabs.peaks (2.88, 3.69, 66.64 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 48 + HA VAL 45 OK 100 100 100 100 2.4-4.5 4866=91, 1.8/4407=82...(17) HB2 ASN 49 + HA VAL 45 OK 67 93 75 96 4.5-5.3 4.0/4487=39, ~4425=21...(14) Violated in 4 structures by 0.01 A. Peak 4407 from cnoeabs.peaks (3.11, 3.69, 66.64 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.92: HB2 PHE 48 + HA VAL 45 OK 92 92 100 100 2.4-3.8 4455=69, 1.8/4866=64...(16) Violated in 1 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 3.8-5.1 3.5/4422=79, 3.5/4420=78...(13) HB3 PHE 48 + QG2 VAL 45 OK 95 95 100 100 3.7-5.6 2.5/4421=87, 1.8/4409=83...(15) 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 4 assignments used, quality = 1.00: HB2 PHE 48 + QG2 VAL 45 OK 100 100 100 100 3.8-5.0 2.5/4421=85, 4455/3.2=77...(17) HD2 ARG 84 - QG2 VAL 45 far 0 78 0 - 8.2-31.2 HD2 ARG 82 - QG2 VAL 45 far 0 76 0 - 8.4-25.9 HD3 ARG 84 - QG2 VAL 45 far 0 73 0 - 8.8-29.9 Violated in 2 structures by 0.01 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 3.3-4.5 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): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 49 + QG1 VAL 45 OK 100 100 100 100 5.0-5.8 3.5/4425=78, 3.5/4423=78...(11) HB2 ASP 46 + QG1 VAL 45 OK 90 90 100 100 3.1-4.5 3.0/4433=86, 4.0/166=82...(8) HB2 ASN 80 - QG1 VAL 45 far 8 83 10 - 3.7-23.4 HB2 ASP 47 - QG1 VAL 45 far 0 89 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (2.89, 0.99, 19.47 ppm; 5.47 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 49 + QG1 VAL 45 OK 99 99 100 100 3.9-4.7 3.5/4425=87, 3.5/4423=87...(13) HB3 PHE 48 + QG1 VAL 45 OK 74 99 75 100 4.6-6.5 4866/3.2=86, 2.5/5656=77...(15) 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...(10) 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 = 1.00: HA PRO 44 + HB VAL 45 OK 100 100 100 100 4.4-4.5 155/2098=84, 5650/2.1=77...(8) 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 4.7-4.7 4433/2.1=92, 3.0/165=77...(17) HA ASP 67 - QG2 VAL 45 far 0 85 0 - 9.3-10.9 Violated in 16 structures by 0.01 A. Peak 4417 from cnoeabs.peaks (4.49, 0.99, 19.47 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 46 + QG1 VAL 45 OK 100 100 100 100 2.9-3.0 4433=100, 3.0/166=74...(17) HA TYR 81 - QG1 VAL 45 far 0 60 0 - 6.3-24.7 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 2 assignments used, quality = 1.00: QD PHE 48 + HA VAL 45 OK 100 100 100 100 3.0-3.9 2.5/4407=82, 2.5/4866=75...(15) QD TYR 81 - HA VAL 45 far 0 90 0 - 9.0-24.3 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 2.0-3.9 4499=99, 1.7/4422=77...(11) Violated in 1 structures by 0.00 A. Peak 4421 from cnoeabs.peaks (7.07, 1.07, 22.09 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 48 + QG2 VAL 45 OK 100 100 100 100 3.1-4.1 4418/3.2=55, 2.5/4409=54...(15) QD TYR 81 - QG2 VAL 45 far 0 97 0 - 5.6-19.2 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 2 assignments used, quality = 0.81: HD21 ASN 49 + QG2 VAL 45 OK 81 96 85 100 2.5-5.3 1.7/4499=74, 4497=73...(11) HE22 GLN 79 - QG2 VAL 45 far 5 98 5 - 4.7-24.4 Violated in 3 structures by 0.21 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 2.5-3.3 4500=94, 1.7/4425=76...(11) 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 2 assignments used, quality = 0.99: H ASP 47 + QG1 VAL 45 OK 99 99 100 100 4.3-4.6 919/166=89, 3.6/4433=76...(14) HE ARG 54 - QG1 VAL 45 far 0 100 0 - 8.8-13.9 Violated in 0 structures by 0.00 A. Peak 4425 from cnoeabs.peaks (6.86, 0.99, 19.47 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: HD21 ASN 49 + QG1 VAL 45 OK 99 99 100 100 2.6-4.1 4498=88, 1.7/4423=75...(11) HE22 GLN 79 - QG1 VAL 45 far 0 100 0 - 5.3-26.8 Violated in 3 structures by 0.02 A. Peak 4430 from cnoeabs.peaks (2.08, 2.55, 39.53 ppm; 5.84 A): 3 out of 3 assignments used, quality = 1.00: HB VAL 45 + HB3 ASP 46 OK 96 96 100 100 5.3-6.7 3835/634=91, 2.1/4445=88...(6) HB3 PRO 44 + HB3 ASP 46 OK 94 95 100 99 3.0-4.4 4431/170=94, 4440/1.8=45...(6) HG2 PRO 44 + HB3 ASP 46 OK 48 57 100 84 3.3-3.9 4394/170=40, 4440/1.8=35...(6) 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 2.9-3.0 4417=94, 166/3.0=72...(17) QD1 LEU 64 - HA ASP 67 far 0 48 0 - 5.5-6.8 QD1 LEU 57 - HA ASP 67 far 0 82 0 - 9.7-10.5 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 2.0-4.1 5645=97, 1.8/4435=92...(17) HA PHE 48 + HB2 ASP 47 OK 96 96 100 100 3.9-5.6 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 2.0-4.9 5644=97, 4397/1.8=81...(16) HA VAL 45 - HB2 ASP 47 far 0 65 0 - 5.9-7.4 Violated in 5 structures by 0.08 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 1.9-4.2 1.8/4397=96, 4396=95...(15) HA PHE 48 + HB3 ASP 47 OK 89 89 100 100 3.8-5.6 3.0/174=91, ~173=67...(8) HA ARG 26 - HB3 ASP 24 far 0 38 0 - 7.5-8.7 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 2.0-4.1 4397=100, 5644/1.8=85...(14) HA VAL 45 - HB3 ASP 47 poor 16 78 20 - 5.6-6.8 Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (2.04, 4.39, 56.46 ppm; 3.44 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLU 50 + HA ASP 47 OK 95 100 100 95 2.4-3.2 4510=52, 3.9/4506=35...(11) HG2 PRO 44 + HA ASP 47 OK 93 99 95 99 3.9-4.3 6063/3.0=46, ~6064=27...(22) HB3 GLU 50 + HA ASP 47 OK 36 100 40 91 3.8-4.7 1.8/4510=42, 3.9/4506=35...(10) HB VAL 45 - HA ASP 47 far 0 73 0 - 8.3-8.6 HD2 ARG 69 - HA ASP 47 far 0 97 0 - 8.7-12.9 HD3 ARG 69 - HA ASP 47 far 0 97 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (2.07, 2.70, 39.53 ppm; 5.74 A): 2 out of 5 assignments used, quality = 0.91: HB3 PRO 44 + HB2 ASP 46 OK 78 83 100 94 3.3-4.7 4431/169=83, 5131/633=36...(5) HG2 PRO 44 + HB2 ASP 46 OK 61 76 100 80 3.4-4.3 4394/169=50, 164/633=26...(6) HB VAL 45 - HB2 ASP 46 far 15 100 15 - 5.2-6.9 HB3 GLU 50 - HB2 ASP 46 poor 14 57 25 - 6.1-8.7 HB2 GLU 50 - HB2 ASP 46 lone 7 57 90 13 4.8-7.1 5673/4.6=11 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 6 assignments used, quality = 1.00: HG2 PRO 44 + HB2 ASP 47 OK 99 99 100 100 1.9-3.5 2.3/4435=84, 5134/1.8=77...(14) HB2 GLU 50 + HB2 ASP 47 OK 91 95 100 96 4.9-5.7 4510/3.0=55, ~4511=40...(9) HB3 GLU 50 - HB2 ASP 47 far 0 95 0 - 6.2-7.2 HB VAL 45 - HB2 ASP 47 far 0 96 0 - 7.5-9.1 HD2 ARG 69 - HB2 ASP 47 far 0 76 0 - 8.0-13.4 HD3 ARG 69 - HB2 ASP 47 far 0 76 0 - 9.1-13.7 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 2.2-4.5 4912=97, 4380/1.8=79...(19) HG3 LYS 39 - HB2 ASP 47 far 0 60 0 - 6.5-10.7 HG2 LYS 13 - HB2 ASP 47 far 0 97 0 - 8.0-37.1 HG3 LYS 13 - HB2 ASP 47 far 0 76 0 - 9.4-37.6 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 7 assignments used, quality = 0.92: HB3 LEU 43 + HB3 ASP 47 OK 92 92 100 100 2.0-4.3 4380=91, 3.1/4389=86...(18) HG3 LYS 39 - HB3 ASP 47 far 0 87 0 - 6.2-9.1 HB3 ARG 69 - HB3 ASP 24 far 0 31 0 - 8.6-12.6 QB ALA 30 - HB3 ASP 24 far 0 38 0 - 9.0-10.0 HG12 ILE 33 - HB3 ASP 24 far 0 40 0 - 9.1-11.6 HG2 LYS 13 - HB3 ASP 47 far 0 100 0 - 9.3-36.8 HB3 ARG 69 - HB3 ASP 47 far 0 63 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 4444 from cnoeabs.peaks (2.06, 2.59, 40.94 ppm; 4.84 A): 3 out of 9 assignments used, quality = 0.99: HG2 PRO 44 + HB3 ASP 47 OK 97 97 100 100 2.0-3.6 2.3/4397=82, 5134=78...(14) HB2 GLU 50 + HB3 ASP 47 OK 51 89 60 95 4.7-6.0 4510/3.0=49, ~4511=37...(9) HB2 GLU 25 + HB3 ASP 24 OK 22 59 50 75 4.9-6.5 4.0/53=69, 3.0/5524=13...(4) HB3 GLU 25 - HB3 ASP 24 far 9 59 15 - 5.0-7.3 HB3 GLU 50 - HB3 ASP 47 far 0 89 0 - 6.1-7.6 HD2 ARG 69 - HB3 ASP 47 far 0 65 0 - 7.1-12.6 HB VAL 45 - HB3 ASP 47 far 0 99 0 - 7.2-8.3 HD3 ARG 69 - HB3 ASP 47 far 0 65 0 - 7.4-13.3 HB3 GLU 19 - HB3 ASP 24 far 0 44 0 - 8.9-16.1 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 3.3-4.5 166/634=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 2.2-3.3 4907=97, 4389/1.8=84...(20) QG2 ILE 40 - HB2 ASP 47 far 0 97 0 - 7.3-9.0 QG2 VAL 41 - HB2 ASP 47 far 0 99 0 - 9.1-11.0 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 2 assignments used, quality = 1.00: QD1 LEU 43 + HB2 ASP 47 OK 100 100 100 100 3.0-4.9 4914=99, 2.1/4907=89...(18) QG1 VAL 41 - HB2 ASP 47 far 0 57 0 - 8.9-10.5 Violated in 5 structures by 0.05 A. Peak 4448 from cnoeabs.peaks (0.94, 2.59, 40.94 ppm; 3.95 A): 2 out of 9 assignments used, quality = 0.99: QD2 LEU 43 + HB3 ASP 47 OK 99 99 100 100 2.0-3.7 4389=95, 4907/1.8=83...(19) HG12 ILE 68 + HB3 ASP 24 OK 21 48 50 87 2.7-6.1 ~4760=46, ~5976=29...(9) QD1 LEU 64 - HB3 ASP 24 far 2 46 5 - 4.4-6.7 QG2 VAL 41 - HB3 ASP 24 far 0 60 0 - 5.4-8.1 QG2 ILE 40 - HB3 ASP 24 far 0 57 0 - 6.5-9.8 QG2 ILE 40 - HB3 ASP 47 far 0 99 0 - 6.9-9.3 QG1 VAL 76 - HB3 ASP 24 far 0 48 0 - 8.2-17.4 QG2 VAL 76 - HB3 ASP 24 far 0 48 0 - 8.9-18.9 QG2 VAL 41 - HB3 ASP 47 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 4449 from cnoeabs.peaks (0.82, 2.59, 40.94 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 43 + HB3 ASP 47 OK 100 100 100 100 2.7-4.7 2.1/4389=81, 4914/1.8=71...(17) QG2 ILE 68 + HB3 ASP 24 OK 28 47 65 90 2.5-6.2 ~4760=42, 4752=28...(9) QD2 LEU 64 - HB3 ASP 24 far 0 44 0 - 6.1-9.1 QD2 LEU 29 - HB3 ASP 24 far 0 44 0 - 7.1-8.6 QG1 VAL 41 - HB3 ASP 24 far 0 27 0 - 7.2-10.0 QG1 VAL 41 - HB3 ASP 47 far 0 57 0 - 8.8-10.4 QG2 ILE 68 - HB3 ASP 47 far 0 89 0 - 9.8-12.9 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 3 assignments used, quality = 0.95: QD2 LEU 43 + HA ASP 47 OK 95 95 100 100 4.3-5.1 4907/3.0=84, 4389/3.0=83...(19) QG2 ILE 40 - HA ASP 47 far 0 100 0 - 8.2-9.6 QD2 LEU 62 - HA ASP 47 far 0 100 0 - 9.8-11.6 Violated in 1 structures by 0.01 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 3.1-3.6 4525=99, 660/4523=69...(11) H LEU 43 - HA PHE 48 far 0 99 0 - 5.7-6.4 H ARG 54 - HA PHE 48 far 0 100 0 - 7.2-7.8 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 2 assignments used, quality = 0.85: H GLU 50 + HA ASP 47 OK 85 85 100 100 3.3-3.9 4506=85, 6130/3.0=49...(9) H TYR 55 - HA ASP 47 far 0 87 0 - 9.0-10.6 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 2.4-3.8 4407=90, 4866/1.8=75...(16) HD3 PRO 44 - HB2 PHE 48 far 0 73 0 - 5.2-7.2 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 3.3-4.3 3.1/4468=85, 1.8/4465=82...(23) HG3 ARG 66 - HA PHE 48 far 0 81 0 - 8.1-12.3 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 2.0-3.1 4523=97, 1.8/4466=68...(16) HD2 LYS 39 - HA PHE 48 far 0 100 0 - 5.4-8.6 HD3 LYS 39 - HA PHE 48 far 0 99 0 - 5.9-9.4 HG3 ARG 54 - HA PHE 48 far 0 96 0 - 7.2-9.6 HD2 LYS 73 - HA PHE 48 far 0 78 0 - 8.2-14.5 HG LEU 62 - HA PHE 48 far 0 78 0 - 8.4-9.8 HD3 LYS 73 - HA PHE 48 far 0 78 0 - 8.9-14.6 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 3.1-4.1 3.1/4468=84, 1.8/4463=78...(23) HG3 LYS 39 - HA PHE 48 poor 12 60 20 - 5.7-8.3 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 4 assignments used, quality = 1.00: HB2 LEU 51 + HA PHE 48 OK 100 100 100 100 2.9-3.7 1.8/4523=90, 4524=82...(11) HG2 ARG 54 - HA PHE 48 far 0 97 0 - 6.6-9.3 HB2 LEU 52 - HA PHE 48 far 0 85 0 - 7.0-7.8 QB ALA 12 - HA PHE 48 far 0 90 0 - 8.6-32.0 Violated in 0 structures by 0.00 A. Peak 4467 from cnoeabs.peaks (0.94, 4.03, 60.97 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + HA PHE 48 OK 100 100 100 100 4.1-5.2 2.1/4468=87, 4460/3.0=63...(25) QG2 ILE 40 + HA PHE 48 OK 79 94 90 93 4.2-5.7 5128/3.7=48...(9) QD2 LEU 62 - HA PHE 48 far 0 94 0 - 7.3-8.6 QG2 VAL 41 - HA PHE 48 far 0 99 0 - 7.4-8.3 Violated in 6 structures by 0.01 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 2.7-3.6 5295=55, 4370/3.7=41...(26) QG2 ILE 68 - HA PHE 48 far 0 76 0 - 7.8-9.3 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 3.8-5.0 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 2.3-3.7 4521=92, 2.1/4522=75...(15) 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 3.1-5.0 4475/1.8=91, 1.8/4472=81...(21) HG3 ARG 66 - HB2 PHE 48 far 0 81 0 - 8.1-12.0 HG2 ARG 70 - HB2 PHE 48 far 0 99 0 - 8.9-14.5 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 3.1-4.8 1.8/4471=81, 4379/1.8=79...(22) HG3 LYS 39 - HB2 PHE 48 far 0 60 0 - 6.6-10.7 Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (1.05, 3.13, 38.68 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.87: QG2 VAL 45 + HB2 PHE 48 OK 83 83 100 100 3.8-5.0 3.2/4455=99, ~4866=83...(17) QD1 ILE 40 + HB2 PHE 48 OK 26 73 35 100 6.3-8.3 ~5128=73, ~5618=72...(9) 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 2.8-5.4 4382=72, 4471/1.8=65...(20) HB2 LEU 43 - HB2 PHE 35 far 0 55 0 - 7.6-8.4 HB3 ARG 17 - HB2 PHE 35 far 0 37 0 - 7.9-22.5 HG3 ARG 66 - HB3 PHE 48 far 0 68 0 - 8.3-11.9 HB3 ARG 17 - HB3 PHE 35 far 0 41 0 - 8.3-24.1 HB2 LEU 43 - HB3 PHE 35 far 0 60 0 - 8.7-9.7 HG2 ARG 70 - HB3 PHE 48 far 0 94 0 - 9.1-14.1 Violated in 5 structures by 0.11 A. Peak 4476 from cnoeabs.peaks (1.42, 2.88, 38.68 ppm; 4.79 A): 3 out of 11 assignments used, quality = 0.97: HB3 LEU 43 + HB3 PHE 48 OK 93 93 100 100 2.5-4.7 1.8/4475=83, 4472/1.8=66...(21) HG3 LYS 39 + HB2 PHE 35 OK 38 41 100 94 3.7-4.6 ~5939=48, 5207/4874=35...(12) HG3 LYS 39 + HB3 PHE 35 OK 23 45 55 93 5.0-6.0 ~5939=48, ~5940=33...(13) HB3 ARG 69 - HB3 PHE 48 poor 12 60 20 - 4.8-6.9 HG3 LYS 39 - HB3 PHE 48 far 0 85 0 - 5.8-9.5 HG12 ILE 33 - HB2 PHE 35 far 0 38 0 - 8.3-8.5 HG12 ILE 33 - HB3 PHE 35 far 0 42 0 - 8.4-8.6 HB3 LEU 43 - HB2 PHE 35 far 0 47 0 - 8.6-9.4 HB3 LEU 43 - HB3 PHE 35 far 0 52 0 - 9.3-10.4 HG2 LYS 13 - HB2 PHE 35 far 0 55 0 - 9.5-28.1 HG2 LYS 13 - HB3 PHE 35 far 0 61 0 - 9.5-27.0 Violated in 0 structures by 0.00 A. Peak 4477 from cnoeabs.peaks (1.02, 2.88, 38.68 ppm; 6.34 A): 7 out of 8 assignments used, quality = 0.99: QD1 ILE 40 + HB3 PHE 48 OK 69 99 70 100 5.2-8.1 5619/2.5=94, 4316/4.4=80...(10) QD1 ILE 40 + HB3 PHE 35 OK 58 58 100 100 5.9-6.7 4318/2.6=98, 4305/1.8=96...(12) QD1 ILE 40 + HB2 PHE 35 OK 53 53 100 100 4.9-5.8 4318/2.6=98, ~4322=75...(12) HG3 PRO 34 + HB3 PHE 35 OK 42 42 100 100 4.3-4.4 ~4242=82, ~4649=80...(13) HG3 PRO 34 + HB2 PHE 35 OK 38 38 100 100 5.5-5.6 ~4242=82, ~4649=80...(14) QD1 LEU 57 + HB3 PHE 35 OK 31 33 100 96 5.6-6.2 ~5742=73, 4577/4.5=46...(5) QD1 LEU 57 + HB2 PHE 35 OK 28 29 100 96 6.0-6.7 ~5742=73, 4577/4.5=46...(5) QD1 LEU 57 - HB3 PHE 48 far 0 65 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (0.84, 2.88, 38.68 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.97: QD1 LEU 43 + HB3 PHE 48 OK 96 96 100 100 3.3-5.4 4370/2.5=82, 4468/3.0=81...(20) QD1 LEU 43 + HB2 PHE 35 OK 25 49 100 51 4.7-5.5 4520/4516=33...(5) QD1 LEU 43 - HB3 PHE 35 poor 9 54 40 40 5.3-6.2 4520/4865=19, 4913=16...(5) QD2 LEU 64 - HB2 PHE 35 far 0 55 0 - 8.1-9.1 QD2 LEU 29 - HB2 PHE 35 far 0 55 0 - 8.2-12.7 QD2 LEU 64 - HB3 PHE 35 far 0 60 0 - 8.5-9.4 QD2 LEU 29 - HB3 PHE 35 far 0 60 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 4483 from cnoeabs.peaks (1.47, 4.14, 55.66 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.98: HB3 LEU 52 + HA ASN 49 OK 98 100 100 98 3.6-4.4 3.1/4486=58, 3.0/4485=52...(8) HB3 LEU 57 - HA ASN 49 far 0 100 0 - 9.4-10.7 Violated in 17 structures by 0.28 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 - 5.1-5.7 HB2 LEU 51 - HA ASN 49 far 0 97 0 - 5.5-6.8 HG2 ARG 54 - HA ASN 49 far 0 68 0 - 7.5-9.8 Violated in 20 structures by 0.94 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 2.9-3.5 2.1/4486=81, 3.0/4483=67...(10) QG2 VAL 65 - HA ASN 49 far 0 89 0 - 7.2-8.2 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 99 100 100 2.0-3.3 4546=84, 2.1/4485=58...(9) 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 = 1.00: HA ASP 46 + HB2 ASN 49 OK 100 100 100 100 2.7-4.4 5360/1.8=77...(9) Violated in 3 structures by 0.02 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 2.8-3.9 2.2/4493=83, 4603/3.0=78...(12) 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 = 0.60: QE PHE 48 + HA ASN 49 OK 60 60 100 99 3.9-4.6 2.2/4492=70, ~180=57...(10) 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 3.6-4.1 4542=99, 667/4483=64...(8) 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 4 assignments used, quality = 0.99: H LEU 51 + HA ASN 49 OK 99 100 100 99 4.1-4.7 923/3.6=83, 924/4542=76...(5) H ARG 54 - HA ASN 49 far 0 100 0 - 6.8-7.5 HD21 ASN 80 - HA ASN 49 far 0 95 0 - 9.4-31.1 H LEU 43 - HA ASN 49 far 0 96 0 - 10.0-10.7 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 2 assignments used, quality = 1.00: QB ALA 53 + HA GLU 50 OK 100 100 100 100 2.4-3.4 4962=98, 673/4549=55...(10) QB ALA 77 - HA GLU 50 far 0 90 0 - 9.7-26.3 Violated in 0 structures by 0.00 A. Peak 4503 from cnoeabs.peaks (0.71, 3.96, 59.12 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 33 + HA GLN 61 OK 97 97 100 100 2.8-3.7 4222/3.0=66, 4227=49...(26) QD2 LEU 57 + HA GLN 61 OK 91 96 95 100 4.1-5.0 4985/3.0=55, 4602/3.0=50...(24) QD2 LEU 57 - HA GLU 50 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 4504 from cnoeabs.peaks (0.85, 3.96, 59.12 ppm; 4.90 A): 1 out of 7 assignments used, quality = 0.95: QD2 LEU 64 + HA GLN 61 OK 95 95 100 100 1.9-3.8 3.1/4695=73, 2.1/4505=68...(18) QD1 LEU 62 - HA GLN 61 poor 17 70 25 - 5.7-6.8 QD1 LEU 43 - HA GLU 50 far 0 78 0 - 6.7-8.3 QD1 LEU 62 - HA GLU 50 far 0 76 0 - 7.0-9.2 QG2 ILE 89 - HA GLU 50 far 0 97 0 - 8.3-47.2 QD2 LEU 86 - HA GLU 50 far 0 85 0 - 8.5-42.2 QD2 LEU 29 - HA GLN 61 far 0 95 0 - 9.4-11.7 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 4.3-5.5 2.1/4504=85, 3.1/4695=81...(15) QD2 LEU 62 - HA GLU 50 far 0 96 0 - 6.4-8.6 QD2 LEU 62 - HA GLN 61 far 0 90 0 - 6.7-7.1 QD2 LEU 43 - HA GLU 50 far 0 100 0 - 7.8-9.4 QG2 ILE 40 - HA GLN 61 far 0 90 0 - 8.1-8.9 HG12 ILE 68 - HA GLN 61 far 0 74 0 - 8.5-9.8 QG2 ILE 40 - HA GLU 50 far 0 96 0 - 8.9-10.6 Violated in 10 structures by 0.06 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 3.0-3.4 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): 2 out of 4 assignments used, quality = 0.97: HA ASP 47 + HB2 GLU 50 OK 94 98 100 95 2.4-3.2 4439=41, 4506/3.9=41...(12) HA ASP 47 + HB3 GLU 50 OK 49 98 55 91 3.8-4.7 4506/3.9=41, 4511/3.0=35...(10) HA MET 11 - HB2 GLU 50 far 0 83 0 - 7.8-44.5 HA MET 11 - HB3 GLU 50 far 0 83 0 - 8.6-44.2 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 = 0.74: HA ASP 47 + HG2 GLU 50 OK 74 100 75 99 3.5-6.0 4506/655=68, 4934=53...(9) Violated in 13 structures by 0.49 A. Peak 4512 from cnoeabs.peaks (4.40, 2.21, 36.01 ppm; 5.82 A): 1 out of 2 assignments used, quality = 0.93: HA ASP 47 + HG3 GLU 50 OK 93 93 100 100 3.4-4.9 4506/656=87, 4511/1.8=78...(8) HA MET 11 - HG3 GLU 50 far 0 71 0 - 9.5-46.3 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 2.0-4.7 3.6/5220=59, 3.6/5219=56...(17) HD3 ARG 54 + HA LEU 51 OK 98 98 100 100 2.0-5.1 3.6/5220=59, 3.6/5219=56...(17) Violated in 0 structures by 0.00 A. Peak 4515 from cnoeabs.peaks (1.78, 0.19, 24.73 ppm; 4.49 A): 2 out of 8 assignments used, quality = 0.85: HB3 LYS 39 + QD2 LEU 51 OK 75 100 75 100 2.0-6.0 5205=80, 1.8/5204=68...(13) HB2 ARG 54 + QD2 LEU 51 OK 40 90 45 99 5.0-5.8 4517/2.1=63, 4568/4.0=49...(10) HB2 LEU 57 - QD2 LEU 51 far 0 92 0 - 5.5-7.8 HB2 ARG 69 - QD2 LEU 51 far 0 81 0 - 5.9-8.1 HB2 PRO 34 - QD2 LEU 51 far 0 100 0 - 6.0-8.6 HG2 PRO 34 - QD2 LEU 51 far 0 78 0 - 6.2-7.8 HB ILE 33 - QD2 LEU 51 far 0 95 0 - 6.6-8.1 HB2 LYS 13 - QD2 LEU 51 far 0 99 0 - 8.8-26.3 Violated in 14 structures by 0.14 A. Peak 4516 from cnoeabs.peaks (2.87, 0.19, 24.73 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.95: HB2 PHE 35 + QD2 LEU 51 OK 81 81 100 100 3.1-4.5 2.6/4568=76, 1.8/4865=67...(15) HB3 PHE 48 + QD2 LEU 51 OK 74 99 75 100 3.6-5.9 2.5/4527=67, 3.0/4470=61...(17) HB2 ASN 49 - QD2 LEU 51 far 0 73 0 - 7.1-8.0 HB2 ASP 67 - QD2 LEU 51 far 0 73 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 4517 from cnoeabs.peaks (1.77, 0.62, 23.89 ppm; 4.21 A): 2 out of 10 assignments used, quality = 0.98: HB2 ARG 54 + QD1 LEU 51 OK 97 98 100 99 2.7-4.1 4568/2245=55...(11) HB3 LYS 39 + QD1 LEU 51 OK 24 99 25 98 2.5-6.2 5205/2.1=57, ~5204=43...(11) HB2 PRO 34 - QD1 LEU 51 far 5 100 5 - 5.0-7.7 HG2 PRO 34 - QD1 LEU 51 far 0 92 0 - 5.2-7.4 HB2 LEU 57 - QD1 LEU 51 far 0 99 0 - 5.6-9.0 HB ILE 33 - QD1 LEU 51 far 0 99 0 - 7.3-8.8 HB2 LYS 13 - QD1 LEU 51 far 0 92 0 - 7.9-25.9 HB2 ARG 69 - QD1 LEU 51 far 0 63 0 - 8.4-10.3 HB2 LEU 62 - QD1 LEU 51 far 0 63 0 - 8.7-11.5 HB2 LYS 32 - QD1 LEU 51 far 0 100 0 - 9.9-13.1 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 3.6-4.3 2.6/4534=66, 1.8/5353=54...(16) HB3 PHE 35 + QD1 LEU 51 OK 57 57 100 100 3.6-4.2 2.6/4534=66, 1.8/5574=54...(17) HB3 PHE 48 - QD1 LEU 51 far 0 100 0 - 5.5-7.5 HB2 ASN 49 - QD1 LEU 51 far 0 89 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (3.02, 0.62, 23.89 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.73: HD3 ARG 54 + QD1 LEU 51 OK 56 92 65 94 3.6-5.5 4573=38, 3.6/4517=36...(11) HD2 ARG 54 + QD1 LEU 51 OK 39 93 45 92 3.4-5.5 3.6/4517=36, 1.8/4573=33...(11) Violated in 14 structures by 0.11 A. Peak 4520 from cnoeabs.peaks (0.83, 0.19, 24.73 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 43 + QD2 LEU 51 OK 100 100 100 100 1.9-3.0 4917=95, 2.1/4916=48...(21) QG2 ILE 68 - QD2 LEU 51 far 0 68 0 - 5.5-6.7 QD2 LEU 64 - QD2 LEU 51 far 0 97 0 - 6.8-8.1 QD2 LEU 29 - QD2 LEU 51 far 0 97 0 - 8.9-12.8 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 2.3-3.7 4470=99, 4522/2.1=78...(15) HD2 PRO 44 - QD2 LEU 51 far 0 92 0 - 5.8-8.0 HA ARG 54 - QD2 LEU 51 far 0 92 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (4.02, 0.62, 23.89 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + QD1 LEU 51 OK 100 100 100 100 3.8-5.0 4523/3.1=73, 4470/2.1=73...(12) HA ARG 54 - QD1 LEU 51 far 9 90 10 - 5.3-6.6 HD2 PRO 44 - QD1 LEU 51 far 0 93 0 - 6.0-8.8 Violated in 6 structures by 0.06 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 2.0-3.1 4464=80, 4466/1.8=60...(16) HD2 PRO 44 - HB3 LEU 51 far 0 97 0 - 6.9-9.3 HA ARG 54 - HB3 LEU 51 far 0 83 0 - 7.5-8.1 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 2.9-3.7 4466=85, 4464/1.8=73...(11) HD2 PRO 44 - HB2 LEU 51 far 0 65 0 - 6.3-10.1 HA ARG 54 - HB2 LEU 51 far 0 100 0 - 7.0-7.9 HA PHE 48 - HB2 LEU 52 far 0 47 0 - 7.0-7.8 HA ARG 54 - HB2 LEU 52 far 0 60 0 - 7.8-8.4 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 2 assignments used, quality = 1.00: QD PHE 48 + QD2 LEU 51 OK 100 100 100 100 2.4-3.4 4625=98, 4370/4917=61...(17) QD TYR 81 - QD2 LEU 51 far 0 95 0 - 8.3-22.4 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 2.8-4.4 2.2/4584=76...(17) QE PHE 35 + QD2 LEU 51 OK 99 99 100 100 2.7-3.7 4584=96, 2.2/4568=78...(19) HZ PHE 48 - QD2 LEU 51 far 15 100 15 - 5.1-6.3 HD22 ASN 42 - QD2 LEU 51 far 0 95 0 - 8.3-10.3 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 3 assignments used, quality = 0.99: QE TYR 55 + QD2 LEU 51 OK 99 99 100 100 3.4-4.7 4648=100, 4647/2.1=99...(19) QE TYR 81 - QD2 LEU 51 far 0 78 0 - 6.8-23.0 HE22 GLN 61 - QD2 LEU 51 far 0 78 0 - 7.9-10.6 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 2.7-3.7 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 2.0-4.3 2.2/4533=88, 4637=62...(26) Violated in 1 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (6.94, 0.62, 23.89 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 51 OK 100 100 100 100 3.0-4.8 4580=87, 4584/2.1=79...(25) HZ PHE 35 + QD1 LEU 51 OK 74 99 75 100 3.7-5.8 2.2/4580=64...(18) HZ PHE 48 - QD1 LEU 51 far 0 99 0 - 7.2-8.4 HD22 ASN 42 - QD1 LEU 51 far 0 100 0 - 9.3-11.6 Violated in 4 structures by 0.05 A. Peak 4533 from cnoeabs.peaks (6.81, 0.62, 23.89 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.99: QE TYR 55 + QD1 LEU 51 OK 99 99 100 100 1.9-2.9 5727=86, 4646/2.1=56...(20) QE TYR 81 - QD1 LEU 51 far 0 78 0 - 6.9-25.2 HE22 GLN 61 - QD1 LEU 51 far 0 78 0 - 7.6-10.9 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 3.1-4.2 4568/2.1=75, 4564/2.1=66...(24) Violated in 5 structures by 0.03 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 4.0-5.1 4570=92, 4581/2287=71...(10) HZ PHE 35 + HA LEU 52 OK 96 100 100 96 4.2-5.0 2.2/4570=69...(9) HZ PHE 48 - HA LEU 52 far 0 100 0 - 6.4-7.8 Violated in 7 structures by 0.03 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 3.8-4.5 5361/2.1=92, 4959/2.1=91...(12) 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 2.2-3.5 4614=75, 2.2/4619=72...(20) 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 2.6-3.5 4619=100, 2.2/4538=64...(13) HZ PHE 35 - QD1 LEU 52 far 0 100 0 - 5.3-6.9 QE PHE 35 - QD1 LEU 52 far 0 100 0 - 5.7-6.9 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 2.6-3.4 4538/2.1=69, 4613=65...(17) Violated in 0 structures by 0.00 A. Peak 4541 from cnoeabs.peaks (6.96, 0.51, 22.90 ppm; 3.29 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QD2 LEU 52 OK 97 99 100 98 2.5-3.8 4595/2.1=57, 2.2/4540=49...(11) HZ PHE 35 + QD2 LEU 52 OK 88 97 95 95 2.9-4.2 2.2/4581=53, 4594=45...(11) QE PHE 35 + QD2 LEU 52 OK 51 97 55 95 3.4-4.6 4581=66, 4570/2287=31...(13) Violated in 0 structures by 0.00 A. Peak 4543 from cnoeabs.peaks (4.13, 1.33, 40.92 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.82: HA ALA 53 + HB2 LEU 52 OK 60 60 100 100 4.4-4.7 3.0/3863=66, ~203=53...(12) HA ASN 49 + HB2 LEU 52 OK 55 100 55 100 5.1-5.7 4483/1.8=91, 4486/3.1=74...(6) HA ASN 49 - HB2 LEU 51 far 0 60 0 - 5.5-6.8 HA ALA 53 - HB2 LEU 51 far 0 30 0 - 7.5-8.5 Violated in 4 structures by 0.01 A. Peak 4544 from cnoeabs.peaks (4.14, 1.47, 40.92 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 49 + HB3 LEU 52 OK 100 100 100 100 3.6-4.4 4483=100, 4486/3.1=68...(8) HA ALA 53 + HB3 LEU 52 OK 73 73 100 99 4.1-4.5 3.0/203=74, ~3863=41...(12) HA ILE 89 - HB3 LEU 52 far 0 57 0 - 8.8-52.4 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 2.9-3.5 4485=100, 4486/2.1=96...(10) HA ALA 53 - HG LEU 52 far 0 71 0 - 6.2-6.6 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 3 assignments used, quality = 1.00: HA ASN 49 + QD1 LEU 52 OK 100 100 100 100 2.0-3.3 4486=99, 4485/2.1=64...(9) HA ALA 53 - QD1 LEU 52 far 0 78 0 - 5.7-5.8 HA ILE 89 - QD1 LEU 52 far 0 63 0 - 9.4-41.7 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 2.6-4.1 2593/5237=68...(14) HA LEU 51 - QD2 LEU 52 poor 16 65 25 - 4.8-5.7 HA THR 37 - QD2 LEU 52 far 0 90 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 4548 from cnoeabs.peaks (4.13, 0.51, 22.90 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 49 + QD2 LEU 52 OK 100 100 100 100 4.2-4.9 4486/2.1=91, 4485/2.1=82...(8) HA ALA 53 - QD2 LEU 52 far 0 63 0 - 5.6-6.0 Violated in 4 structures by 0.03 A. Peak 4550 from cnoeabs.peaks (0.89, 3.81, 57.23 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 51 + HA LEU 52 OK 100 100 100 100 3.1-4.8 197/3.0=69, 4655/4631=51...(17) QD1 LEU 62 + HA LEU 52 OK 91 93 100 97 3.4-5.1 2.1/5957=66, ~5004=48...(8) QD1 LEU 86 - HA LEU 52 far 0 100 0 - 8.3-40.3 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 1.9-3.0 4607=72, 4554/2287=65...(15) 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 4 assignments used, quality = 0.60: QD1 LEU 57 + HG LEU 52 OK 60 60 100 100 3.9-4.9 4554/2.1=89, ~5751=48...(13) QD2 LEU 43 - HG LEU 52 far 0 78 0 - 7.7-8.9 QG1 VAL 45 - HG LEU 52 far 0 85 0 - 8.2-8.8 QD1 LEU 64 - HG LEU 52 far 0 96 0 - 9.0-11.5 Violated in 5 structures by 0.04 A. Peak 4553 from cnoeabs.peaks (0.93, 0.44, 24.59 ppm; 4.03 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 62 + QD1 LEU 52 OK 100 100 100 100 1.8-2.5 4680=100, 5237/2.1=77...(20) QG2 ILE 40 - QD1 LEU 52 far 10 100 10 - 4.8-6.0 QD1 LEU 64 - QD1 LEU 52 far 0 71 0 - 7.5-9.2 QG2 VAL 41 - QD1 LEU 52 far 0 100 0 - 7.6-8.9 QD2 LEU 43 - QD1 LEU 52 far 0 92 0 - 7.7-8.9 QG2 VAL 76 - QD1 LEU 52 far 0 98 0 - 8.7-16.0 QG1 VAL 76 - QD1 LEU 52 far 0 98 0 - 8.9-14.9 HG12 ILE 68 - QD1 LEU 52 far 0 98 0 - 9.5-10.5 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 1.8-3.0 4613=58, 4551/2287=38...(17) QD1 LEU 64 - QD2 LEU 52 far 0 76 0 - 5.9-7.9 QG1 VAL 45 - QD2 LEU 52 far 0 99 0 - 7.9-8.7 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 3.9-5.6 2.1/4554=99, 2.1/5751=75...(17) HB3 ARG 66 + QD2 LEU 52 OK 74 87 90 95 3.9-6.1 3.0/5695=70, ~4956=46...(7) HB2 LEU 64 - QD2 LEU 52 far 0 96 0 - 6.4-8.1 HG LEU 43 - QD2 LEU 52 far 0 60 0 - 7.8-8.9 HB3 ARG 70 - QD2 LEU 52 far 0 100 0 - 8.1-11.2 HB2 ARG 70 - QD2 LEU 52 far 0 100 0 - 8.3-11.5 HB2 MET 31 - QD2 LEU 52 far 0 73 0 - 8.9-10.4 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 3.6-4.5 4582=99, 210/3.6=88...(5) 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 2 assignments used, quality = 0.84: QD TYR 55 + HB2 ARG 54 OK 76 76 100 100 2.2-3.8 4563/1.8=71, ~4644=66...(21) QD TYR 55 + HB2 PRO 34 OK 32 32 100 100 2.0-3.6 4666/1.8=60, ~4667=56...(27) 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 2 assignments used, quality = 0.94: QE TYR 55 + HB2 ARG 54 OK 90 90 100 100 2.8-3.7 4644/1.8=87, ~4634=64...(20) QE TYR 55 + HB2 PRO 34 OK 41 41 100 100 2.0-4.7 4667/1.8=74, 4664/2.3=69...(18) 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 2.5-3.5 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 - 7.4-10.8 H ASP 47 - HD3 ARG 54 far 0 89 0 - 7.8-10.8 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 = 0.95: QE TYR 55 + HD3 ARG 54 OK 89 99 90 100 3.6-5.3 4644/3.6=62, 4969/3.0=45...(15) QE TYR 55 + HD2 ARG 54 OK 50 99 50 100 3.3-5.9 4644/3.6=62, 4969/3.0=45...(15) Violated in 1 structures by 0.00 A. Peak 4566 from cnoeabs.peaks (6.80, 1.58, 27.15 ppm; 6.06 A): 1 out of 5 assignments used, quality = 0.97: QE TYR 55 + HG3 ARG 54 OK 97 97 100 100 5.1-6.0 4644/3.0=97, 4969/1.8=96...(19) QE TYR 81 - HG2 ARG 84 far 10 66 15 - 5.6-14.2 QE TYR 81 - HG3 ARG 84 far 7 66 10 - 5.9-14.7 HE22 GLN 61 - HG LEU 62 far 0 53 0 - 7.9-10.0 QE TYR 55 - HG LEU 62 far 0 84 0 - 9.1-10.1 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 6 assignments used, quality = 0.99: HA LEU 51 + HB2 ARG 54 OK 99 99 100 100 2.0-2.7 5219=99, 5220/1.8=88...(16) HA ILE 33 - HB2 PRO 34 far 8 51 15 - 4.8-5.5 HD2 PRO 36 - HB3 ARG 17 far 4 41 10 - 4.6-20.7 HD2 PRO 36 - HB2 PRO 34 far 0 42 0 - 7.2-8.3 HA LEU 51 - HB2 PRO 34 far 0 50 0 - 7.4-10.7 HA ILE 33 - HB3 ARG 17 far 0 49 0 - 9.6-25.0 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 3.3-4.3 5220=96, 5219/1.8=87...(15) 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 2.0-4.9 5220/3.0=79, 5219/3.0=76...(15) Violated in 1 structures by 0.01 A. Peak 4571 from cnoeabs.peaks (3.90, 3.03, 43.51 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 51 + HD2 ARG 54 OK 99 100 100 99 2.0-4.7 5220/3.6=55, 5219/3.6=52...(17) HA LEU 51 + HD3 ARG 54 OK 95 100 95 100 2.0-5.1 5220/3.6=55, 5219/3.6=52...(17) Violated in 0 structures by 0.00 A. Peak 4572 from cnoeabs.peaks (3.89, 1.58, 27.15 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: HA LEU 51 + HG3 ARG 54 OK 100 100 100 100 3.2-4.8 5220/3.0=64, 5219/3.0=61...(16) HA LEU 62 + HG LEU 62 OK 49 49 100 100 2.1-2.2 4.3=89, 2569/2.1=51...(29) HA LEU 51 - HG LEU 62 far 0 90 0 - 8.2-9.7 HA ILE 33 - HG LEU 62 far 0 88 0 - 8.8-10.2 HA LEU 62 - HG LEU 86 far 0 35 0 - 9.9-42.8 Violated in 0 structures by 0.00 A. Peak 4573 from cnoeabs.peaks (0.61, 3.03, 43.51 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.75: QD1 LEU 51 + HD3 ARG 54 OK 54 87 65 96 3.6-5.5 4519=47, 5145/3.6=38...(11) QD1 LEU 51 + HD2 ARG 54 OK 45 87 55 95 3.4-5.5 4519/1.8=41, 5145/3.6=38...(11) Violated in 5 structures by 0.01 A. Peak 4574 from cnoeabs.peaks (7.69, 3.70, 50.06 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: H TYR 55 + HD2 PRO 56 OK 100 100 100 100 4.8-4.8 4580=100, 687/4.6=63...(9) H TYR 55 + HD3 PRO 56 OK 100 100 100 100 4.7-5.1 4.8=95, 4580/1.8=92...(10) H GLN 61 - HD2 PRO 56 far 0 97 0 - 9.7-11.1 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 99 100 100 99 2.5-3.8 4.6=68, 4555/3.8=57...(11) QD TYR 55 + HD3 PRO 56 OK 99 100 100 99 3.7-4.3 4.6=68, 4555/3.8=57...(11) 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 = 1.00: HD2 PRO 56 + HA TYR 55 OK 94 99 100 95 2.2-2.5 3.8=51, 4580/3.0=32...(14) HD3 PRO 56 + HA TYR 55 OK 94 99 100 95 2.3-2.3 3.8=51, 1.8/4977=31...(15) Violated in 0 structures by 0.00 A. Peak 4578 from cnoeabs.peaks (3.70, 2.80, 40.22 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB2 TYR 55 OK 99 99 100 100 3.5-3.7 4.8=74, 4580/684=63...(16) HD3 PRO 56 + HB2 TYR 55 OK 99 99 100 100 4.6-4.7 4.8=74, 4.8/684=51...(16) Violated in 0 structures by 0.00 A. Peak 4579 from cnoeabs.peaks (3.71, 2.94, 40.22 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB3 TYR 55 OK 94 95 100 100 1.9-2.4 4.8=66, 4580/685=53...(16) HD3 PRO 56 + HB3 TYR 55 OK 94 95 100 100 3.4-3.8 4.8=66, 4.8/685=45...(16) 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 2.0-3.1 2.1/4587=73, 2.1/4586=69...(19) 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 LEU 57 + HB2 TYR 55 OK 100 100 100 100 3.5-5.5 3.0/4584=75, 3.1/4587=72...(17) HB2 ARG 54 + HB2 TYR 55 OK 100 100 100 100 4.5-4.9 3871/684=73, ~4634=70...(11) HG2 PRO 34 + HB2 TYR 55 OK 98 98 100 100 2.5-4.8 4859=90, 4246/2.5=77...(20) HB2 PRO 34 + HB2 TYR 55 OK 82 97 85 100 3.3-6.4 2.3/4859=70, ~4666=61...(16) HB2 LEU 62 - HB2 TYR 55 far 0 78 0 - 7.7-10.0 HB ILE 33 - HB2 TYR 55 far 0 100 0 - 8.0-9.6 HB3 LYS 39 - HB2 TYR 55 far 0 93 0 - 8.2-11.7 HB2 LYS 32 - HB2 TYR 55 far 0 100 0 - 9.2-12.8 HB3 LYS 32 - HB2 TYR 55 far 0 100 0 - 10.0-12.2 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 2.2-3.5 5149/1.8=84, 2.1/4584=80...(20) QD1 ILE 40 - HB2 TYR 55 far 0 68 0 - 7.3-8.4 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 2.7-4.0 5152=86, 4636/2.5=81...(20) QD1 ILE 33 - HB2 TYR 55 far 0 100 0 - 6.1-7.1 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 - 8.9-12.3 Violated in 20 structures by 4.94 A. Peak 4589 from cnoeabs.peaks (1.76, 2.94, 40.22 ppm; 4.69 A): 3 out of 9 assignments used, quality = 1.00: HG2 PRO 34 + HB3 TYR 55 OK 100 100 100 100 2.2-3.4 4246/2.5=71, 4859/1.8=69...(20) HB2 LEU 57 + HB3 TYR 55 OK 95 100 95 100 4.0-6.8 3.1/4590=66, 3.1/5149=65...(19) HB2 PRO 34 + HB3 TYR 55 OK 89 89 100 100 2.4-4.8 ~4666=54, 2.3/4863=49...(17) HB2 ARG 54 - HB3 TYR 55 far 10 100 10 - 5.5-6.1 HB2 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.2-11.6 HB ILE 33 - HB3 TYR 55 far 0 99 0 - 8.3-9.2 HB2 LEU 62 - HB3 TYR 55 far 0 90 0 - 8.5-11.3 HB3 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.7-10.9 HB3 LYS 39 - HB3 TYR 55 far 0 83 0 - 8.9-12.5 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 3.0-4.1 4604=86, 4636/2.5=75...(23) QD1 ILE 33 - HB3 TYR 55 far 0 97 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 4593 from cnoeabs.peaks (1.76, 7.34, 134.10 ppm; 5.16 A): 4 out of 9 assignments used, quality = 1.00: HG2 PRO 34 + QD TYR 55 OK 100 100 100 100 2.2-3.9 4246=100, 2.3/4666=87...(28) HB2 ARG 54 + QD TYR 55 OK 99 99 100 100 2.2-3.8 1.8/4634=100...(21) HB2 LEU 57 + QD TYR 55 OK 94 99 95 100 5.4-6.6 3.1/4636=84, ~4584=49...(18) HB2 PRO 34 + QD TYR 55 OK 81 81 100 100 2.0-3.6 1.8/4666=93, 2.3/4246=84...(28) HB3 LYS 39 - QD TYR 55 far 0 73 0 - 6.7-9.8 HB ILE 33 - QD TYR 55 far 0 97 0 - 7.4-8.4 HB2 LYS 32 - QD TYR 55 far 0 92 0 - 8.1-10.8 HB3 LYS 32 - QD TYR 55 far 0 92 0 - 8.3-10.1 HB2 LEU 62 - QD TYR 55 far 0 96 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 4595 from cnoeabs.peaks (2.80, 3.70, 50.06 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: HB2 TYR 55 + HD2 PRO 56 OK 100 100 100 100 3.5-3.7 4.8=71, 684/4580=62...(16) HB2 TYR 55 + HD3 PRO 56 OK 100 100 100 100 4.6-4.7 4.8=71, 684/4.8=50...(16) Violated in 0 structures by 0.00 A. Peak 4596 from cnoeabs.peaks (2.94, 3.70, 50.06 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: HB3 TYR 55 + HD2 PRO 56 OK 100 100 100 100 1.9-2.4 4.8=54, 685/4580=49...(16) HB3 TYR 55 + HD3 PRO 56 OK 99 100 100 99 3.4-3.8 4.8=54, 685/4.8=39...(16) HB3 PHE 35 - HD2 PRO 56 far 0 65 0 - 6.9-8.7 HB3 PHE 35 - HD3 PRO 56 far 0 65 0 - 8.2-10.0 HE3 LYS 32 - HD2 PRO 56 far 0 89 0 - 9.1-14.0 HE2 LYS 32 - HD2 PRO 56 far 0 90 0 - 9.4-14.6 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 5 assignments used, quality = 0.80: QD1 LEU 62 + HB2 LEU 57 OK 62 63 100 100 2.0-3.8 2.1/4982=84, ~4599=52...(12) QD2 LEU 62 + HB2 LEU 57 OK 47 63 75 100 4.3-5.6 2.1/4982=84, 4599/1.8=62...(11) HG LEU 51 - HB2 LEU 57 far 0 97 0 - 6.0-8.5 QD1 LEU 86 - HB2 LEU 57 far 0 93 0 - 7.6-39.8 QG2 ILE 40 - HB2 LEU 57 far 0 63 0 - 8.2-9.9 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 4 assignments used, quality = 0.94: QD2 LEU 62 + HB3 LEU 57 OK 94 95 100 100 4.6-5.5 2.1/4983=64, ~4982=64...(16) HG LEU 51 - HB3 LEU 57 far 0 71 0 - 6.8-8.8 QD1 LEU 86 - HB3 LEU 57 far 0 60 0 - 7.9-38.5 QG2 ILE 40 - HB3 LEU 57 far 0 95 0 - 8.0-9.5 Violated in 17 structures by 0.41 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 3.6-4.8 4601/1.8=78, 4602/3.1=60...(17) 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 2.0-3.1 4661=96, 4600/1.8=71...(19) HG3 MET 31 - HB3 LEU 57 far 0 99 0 - 8.9-11.4 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 2.1-2.8 1.8/4985=86, 4625/230=60...(21) HG3 MET 31 - QD2 LEU 57 far 0 100 0 - 6.7-8.5 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 1.9-2.3 1.8/4605=69, 4231=49...(16) 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 4 assignments used, quality = 0.99: HB3 TYR 55 + QD2 LEU 57 OK 99 99 100 100 3.0-4.1 4590=91, 2.5/4636=81...(23) HE3 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.8-10.2 HE2 LYS 39 - QD2 LEU 57 far 0 57 0 - 6.1-11.8 HE2 LYS 32 - QD2 LEU 57 far 0 99 0 - 6.8-10.5 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 2.4-3.2 1.8/4603=84...(17) HD3 PRO 36 - QD2 LEU 57 far 0 71 0 - 7.7-8.5 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 2.7-3.7 3.2/4612=66...(15) HA LEU 51 - QD2 LEU 57 far 0 100 0 - 7.0-8.1 HD2 PRO 36 - QD2 LEU 57 far 0 89 0 - 8.4-9.1 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 1 assignment used, quality = 1.00: HA LEU 52 + QD1 LEU 57 OK 100 100 100 100 1.9-3.0 4551=98, 2287/4554=69...(15) 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 2 assignments used, quality = 1.00: HA LEU 62 + QD1 LEU 57 OK 100 100 100 100 3.0-4.0 6069=100, 4547/4554=45...(19) HA THR 37 - QD1 LEU 57 far 0 96 0 - 7.4-8.1 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 4.6-5.7 3.0/4601=86, 3.6/4619=67...(18) HA LEU 62 + HB3 LEU 57 OK 81 81 100 100 3.3-4.2 4981/1.8=86, 6069/3.1=75...(15) HA ALA 28 - HB3 LEU 57 far 0 95 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4611 from cnoeabs.peaks (1.22, 0.71, 23.03 ppm; 4.20 A): 3 out of 7 assignments used, quality = 1.00: QG2 VAL 65 + QD2 LEU 57 OK 98 99 100 100 2.7-3.6 4725=49, 4727/4612=47...(24) QG1 VAL 65 + QD2 LEU 57 OK 90 96 95 99 3.9-5.2 4729=47, 2.1/4725=44...(20) HG13 ILE 33 + QD2 LEU 57 OK 78 100 80 98 4.6-5.2 3.2/4612=56, 3.9/4606=45...(17) HG13 ILE 40 - QD2 LEU 57 far 0 97 0 - 6.4-8.0 HG LEU 52 - QD2 LEU 57 far 0 71 0 - 6.4-7.5 QG2 THR 15 - QD2 LEU 57 far 0 60 0 - 8.8-19.8 HG2 ARG 69 - QD2 LEU 57 far 0 83 0 - 9.2-13.0 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 2.3-3.4 4215/4603=57...(21) 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 1.8-3.0 4554=81, 2287/4551=47...(17) 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 2.9-3.9 4612/2.1=92...(12) Violated in 0 structures by 0.00 A. Peak 4615 from cnoeabs.peaks (6.83, 0.71, 23.03 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 61 + QD2 LEU 57 OK 100 100 100 100 2.3-4.5 1.7/4988=75, 4.6/4985=59...(19) QE TYR 55 + QD2 LEU 57 OK 90 90 100 100 5.3-5.8 2.2/4636=90, 4.4/4587=54...(14) 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 1.9-2.9 4688/2.1=60, 4579=49...(27) HZ PHE 35 + QD2 LEU 57 OK 100 100 100 100 2.0-3.6 4591/2.1=76, 2.2/4579=40...(24) HZ PHE 48 - QD2 LEU 57 far 0 100 0 - 7.6-9.5 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: HZ PHE 35 + QD1 LEU 57 OK 100 100 100 100 1.9-2.3 4591=97, 2.2/4577=34...(23) QE PHE 35 + QD1 LEU 57 OK 100 100 100 100 1.9-2.5 2.2/4591=66, 4688/2.1=53...(24) HZ PHE 48 - QD1 LEU 57 far 0 100 0 - 5.6-7.3 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 4.3-4.9 4619/1.8=79...(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 2.9-3.4 4618/1.8=84, 248/4661=73...(19) 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 3.8-4.8 4658=99, 4648/2478=71...(13) H TYR 55 - QG2 THR 58 far 0 93 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 4626 from cnoeabs.peaks (2.09, 1.31, 21.61 ppm; 4.71 A): 1 out of 5 assignments used, quality = 0.82: HB2 GLU 59 + QG2 THR 58 OK 82 100 85 96 4.2-6.7 4.0/235=65, 4628/2473=60...(7) HB3 GLU 59 - QG2 THR 58 far 15 100 15 - 4.9-6.1 HB2 PRO 56 - QG2 THR 58 lone 1 100 95 1 4.1-6.0 HB3 MET 31 - QG2 THR 58 far 0 81 0 - 5.8-9.9 HG3 PRO 56 - QG2 THR 58 far 0 100 0 - 6.1-7.0 Violated in 17 structures by 0.38 A. Peak 4627 from cnoeabs.peaks (2.54, 1.31, 21.61 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.97: HB2 GLN 61 + QG2 THR 58 OK 97 97 100 100 3.9-5.3 4625/2478=76...(10) HG3 MET 31 - QG2 THR 58 far 0 96 0 - 7.7-11.5 Violated in 15 structures by 0.28 A. Peak 4628 from cnoeabs.peaks (2.10, 4.43, 60.59 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.73: HB2 GLU 59 + HA THR 58 OK 73 95 85 91 4.5-5.9 4.0/233=67, 4626/2473=48 HB3 GLU 59 - HA THR 58 far 14 95 15 - 4.6-5.9 HB2 PRO 56 - HA THR 58 far 0 90 0 - 5.9-7.8 HG3 PRO 56 - HA THR 58 far 0 93 0 - 8.4-8.8 Violated in 20 structures by 0.37 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 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 4633 from cnoeabs.peaks (3.84, 1.31, 21.61 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.98: HB2 SER 60 + QG2 THR 58 OK 87 100 100 87 4.3-6.1 4.4/4658=64, 3.8/4643=58 HB3 SER 60 + QG2 THR 58 OK 81 100 95 86 4.9-6.3 4.4/4658=64, 3.8/4643=58 Violated in 0 structures by 0.00 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 = 0.69: H GLN 61 + HA THR 58 OK 69 71 100 98 4.4-4.9 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 3 assignments used, quality = 1.00: HB2 LEU 62 + HA GLU 59 OK 100 100 100 100 2.6-3.0 4678=100, 1.8/4638=71...(7) HB2 LEU 57 - HA GLU 59 far 0 76 0 - 6.5-6.9 HB2 ARG 84 - HA GLU 59 far 0 89 0 - 9.8-39.6 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (1.58, 4.04, 60.18 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 62 + HA GLU 59 OK 99 100 100 99 3.0-4.0 1.8/4678=77, 5366=59...(7) HG LEU 62 - HA GLU 59 far 0 87 0 - 5.1-5.5 HG LEU 86 - HA GLU 59 far 0 93 0 - 6.4-42.8 HB3 LEU 86 - HA GLU 59 far 0 81 0 - 6.4-41.4 Violated in 7 structures by 0.04 A. Peak 4639 from cnoeabs.peaks (0.87, 4.04, 60.18 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 62 + HA GLU 59 OK 100 100 100 100 2.9-3.3 5365=87, 2.1/5364=62...(9) QD1 LEU 86 - HA GLU 59 far 0 89 0 - 5.5-36.4 QD2 LEU 64 - HA GLU 59 far 0 65 0 - 7.5-9.1 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 8 assignments used, quality = 0.93: QD1 LEU 62 + HG2 GLU 59 OK 93 100 95 98 3.8-6.5 5365/4.2=87, 4640/703=62...(5) QG1 VAL 90 - HG2 GLU 59 far 0 60 0 - 7.7-43.8 QD1 LEU 86 - HG2 GLU 59 far 0 89 0 - 7.7-36.3 QG2 VAL 90 - HG2 GLU 59 far 0 63 0 - 8.0-44.0 HG LEU 51 - HG2 GLU 50 far 0 44 0 - 8.9-9.3 QD2 LEU 64 - HG2 GLU 59 far 0 65 0 - 8.9-11.8 QG2 VAL 90 - HG2 GLU 50 far 0 32 0 - 8.9-51.9 QD1 LEU 62 - HG2 GLU 50 far 0 62 0 - 9.1-11.1 Violated in 3 structures by 0.11 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=97, 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 6 assignments used, quality = 0.98: QE MET 31 + HB3 SER 60 OK 87 100 100 87 2.0-4.6 5078=51, 5078/1.8=43...(6) QE MET 31 + HB2 SER 60 OK 86 100 100 87 2.0-4.6 5078/1.8=49, 5078=45...(5) HB2 LEU 64 - HB3 SER 60 far 0 95 0 - 5.5-8.0 HB2 LEU 64 - HB2 SER 60 far 0 95 0 - 5.7-7.7 HG2 ARG 66 - HB2 SER 60 far 0 68 0 - 9.7-11.8 HG2 ARG 66 - HB3 SER 60 far 0 68 0 - 9.9-11.5 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 2.0-4.0 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 1.9-2.8 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 3.5-4.3 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: HG13 ILE 33 + HA GLN 61 OK 99 99 100 100 5.1-6.5 ~4222=83, 2.1/4227=49...(14) QG1 VAL 65 + HA GLN 61 OK 99 99 100 100 6.0-6.7 4723/4.7=84, 4.0/5758=77...(11) QG2 VAL 65 + HA GLN 61 OK 95 95 100 100 3.7-5.2 4722/4.7=84...(14) QG1 VAL 65 - HA GLU 50 far 0 95 0 - 8.2-9.0 QG2 VAL 65 - HA GLU 50 far 0 89 0 - 9.0-9.8 HG13 ILE 40 - HA GLN 61 far 0 99 0 - 9.5-11.3 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 2.0-3.1 4601=93, 228/4625=65...(19) HG12 ILE 33 - HB2 GLN 61 far 0 90 0 - 5.9-7.6 QB ALA 63 - HB2 GLN 61 far 0 68 0 - 5.9-6.3 HB3 LEU 52 - HB2 GLN 61 far 0 95 0 - 8.4-9.5 QB ALA 30 - HB2 GLN 61 far 0 92 0 - 9.2-11.1 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: QD1 ILE 33 + HB2 GLN 61 OK 99 99 100 100 3.4-4.5 4222/1.8=89, 4224/3.0=67...(18) QD2 LEU 57 + HB2 GLN 61 OK 97 97 100 100 2.1-2.8 4602=77, 4985/1.8=74...(21) 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 99 2.0-3.1 4222=68, 4224/3.0=59...(17) QD2 LEU 57 + HB3 GLN 61 OK 97 97 100 100 1.9-2.9 4985=76, 4602/1.8=57...(22) 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 2.4-5.5 5230=96, 4627/3.0=79...(9) HG3 LYS 32 - HG2 GLN 61 poor 13 63 20 - 5.2-10.2 HG2 LYS 32 - HG2 GLN 61 far 9 89 10 - 5.7-10.2 Violated in 1 structures by 0.00 A. Peak 4665 from cnoeabs.peaks (0.70, 2.60, 34.98 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG2 GLN 61 OK 99 99 100 100 3.7-4.9 4224/1.8=92, 4222/3.0=79...(17) QD2 LEU 57 + HG2 GLN 61 OK 97 97 100 100 2.3-4.3 4985/3.0=68, 4602/3.0=62...(20) 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 2.4-4.8 4224=86, 4222/3.0=72...(16) QD2 LEU 57 + HG3 GLN 61 OK 90 90 100 100 2.1-4.4 4985/3.0=59, 4602/3.0=54...(19) 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 3.1-3.8 736/4998=67...(11) 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 97 100 100 3.6-4.4 273/4998=74, 4.1/4722=71...(6) Violated in 0 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (4.06, 3.92, 57.93 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 63 + HA LEU 62 OK 99 100 100 99 4.7-4.9 5796/4674=38, ~933=33...(15) HA GLU 59 - HA LEU 62 far 0 93 0 - 5.3-5.7 Violated in 20 structures by 0.62 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 2.6-3.0 4637=100, 4638/1.8=71...(7) HA ALA 63 - HB2 LEU 62 far 0 87 0 - 4.9-5.4 Violated in 0 structures by 0.00 A. Peak 4679 from cnoeabs.peaks (4.04, 0.93, 24.73 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 59 + QD2 LEU 62 OK 100 100 100 100 4.2-4.8 5364=99, 4639/2.1=90...(8) HA ALA 63 + QD2 LEU 62 OK 83 83 100 100 3.5-5.1 3.0/3910=58...(21) HA PHE 48 - QD2 LEU 62 far 0 95 0 - 7.3-8.6 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 1.8-2.5 4553=82, 2.1/5237=69...(20) Violated in 0 structures by 0.00 A. Peak 4681 from cnoeabs.peaks (0.83, 1.49, 17.50 ppm; 4.90 A): 1 out of 5 assignments used, quality = 0.93: QD2 LEU 64 + QB ALA 63 OK 93 95 100 98 4.8-5.4 732/263=70, 269/5785=45...(9) QD1 ILE 89 - QB ALA 63 far 0 81 0 - 6.4-33.7 QG2 ILE 68 - QB ALA 63 far 0 76 0 - 8.2-8.7 QG2 ILE 89 - QB ALA 63 far 0 97 0 - 8.4-34.7 QD2 LEU 86 - QB ALA 63 far 0 100 0 - 8.7-27.1 Violated in 19 structures by 0.36 A. Peak 4682 from cnoeabs.peaks (0.93, 1.49, 17.50 ppm; 6.10 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 62 + QB ALA 63 OK 100 100 100 100 4.3-5.4 3910/726=93, 722/5787=77...(20) QD1 LEU 64 + QB ALA 63 OK 65 65 100 100 5.0-5.6 2.1/4681=97, 4.4/263=92...(9) QG2 ILE 40 - QB ALA 63 far 0 100 0 - 7.5-8.6 HG12 ILE 68 - QB ALA 63 far 0 99 0 - 8.4-9.1 QG2 VAL 76 - QB ALA 63 far 0 99 0 - 9.7-18.1 QG2 VAL 41 - QB ALA 63 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4683 from cnoeabs.peaks (1.70, 4.06, 55.02 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.99: HG3 ARG 66 + HA ALA 63 OK 99 99 100 100 2.0-5.0 1.8/5370=84, 2.8/4684=82...(11) HB3 LEU 64 - HA ALA 63 far 0 99 0 - 6.0-6.5 HB2 ARG 84 - HA ALA 63 far 0 76 0 - 7.4-33.9 HG2 ARG 70 - HA ALA 63 far 0 100 0 - 8.5-12.5 Violated in 3 structures by 0.02 A. Peak 4684 from cnoeabs.peaks (1.93, 4.06, 55.02 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.88: HB3 ARG 66 + HA ALA 63 OK 88 93 95 99 2.9-5.1 1.8/5369=65, 5372=51...(10) HB3 GLU 87 - HA ALA 63 far 0 83 0 - 5.7-42.9 HG13 ILE 68 - HA ALA 63 far 0 100 0 - 7.9-8.5 HB3 ARG 70 - HA ALA 63 far 0 65 0 - 8.1-12.0 HB2 ARG 70 - HA ALA 63 far 0 65 0 - 8.7-12.4 HB2 MET 31 - HA ALA 63 far 0 99 0 - 9.9-11.3 Violated in 2 structures by 0.06 A. Peak 4686 from cnoeabs.peaks (3.17, 4.06, 55.02 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.92: HD3 ARG 66 + HA ALA 63 OK 75 89 85 100 2.4-5.6 3.4/4684=66, 3.0/5370=61...(11) HD2 ARG 66 + HA ALA 63 OK 68 85 80 100 2.7-5.8 3.4/4684=66, 3.0/5370=61...(11) HD2 ARG 84 - HA ALA 63 far 0 76 0 - 7.9-34.0 HD3 ARG 27 - HA ALA 63 far 0 100 0 - 8.4-13.9 HD3 ARG 84 - HA ALA 63 far 0 81 0 - 8.5-34.1 HD2 ARG 27 - HA ALA 63 far 0 100 0 - 8.6-12.6 Violated in 3 structures by 0.03 A. Peak 4688 from cnoeabs.peaks (3.82, 1.49, 17.50 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.99: HB3 SER 60 + QB ALA 63 OK 88 89 100 100 4.8-5.4 3.0/4995=92, ~4690=47...(7) HB2 SER 60 + QB ALA 63 OK 88 89 100 100 4.9-5.7 3.0/4995=92, ~4690=47...(7) HA LEU 52 - QB ALA 63 far 0 85 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 4689 from cnoeabs.peaks (4.28, 1.49, 17.50 ppm; 3.39 A): 2 out of 4 assignments used, quality = 1.00: HA SER 60 + QB ALA 63 OK 100 100 100 100 3.2-3.4 4995=100, 4690/726=47...(7) HA LEU 64 + QB ALA 63 OK 76 81 100 95 3.7-3.9 3.0/263=54, 4.9=33...(12) HA THR 88 - QB ALA 63 far 0 100 0 - 8.5-38.4 HA LEU 86 - QB ALA 63 far 0 81 0 - 9.2-34.2 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 3.5-4.3 5036=70, 4.0/4684=61...(13) 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 5 assignments used, quality = 1.00: H ASP 67 + HA LEU 64 OK 100 100 100 100 3.3-3.8 4737=100, 749/4738=61...(11) H ARG 70 - HA LEU 64 far 0 85 0 - 8.0-8.5 H ILE 33 - HA LEU 64 far 0 63 0 - 9.4-10.8 H LEU 29 - HA LEU 64 far 0 87 0 - 9.7-11.2 H LYS 32 - HA LEU 64 far 0 99 0 - 9.9-11.3 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 2.6-3.3 4696/1.8=70...(18) HA ALA 28 - HB2 LEU 64 far 0 100 0 - 5.3-6.4 HA ARG 66 - HB2 LEU 64 far 0 92 0 - 7.8-8.5 HA THR 37 - HB2 LEU 64 far 0 68 0 - 8.2-10.4 HA LYS 32 - HB2 LEU 64 far 0 92 0 - 9.2-10.8 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 3.9-4.7 4695/1.8=84, 4687/730=68...(12) HA ALA 28 - HB3 LEU 64 far 0 100 0 - 5.6-7.0 HA ARG 66 - HB3 LEU 64 far 0 81 0 - 8.3-8.7 HA THR 37 - HB3 LEU 64 far 0 83 0 - 8.3-10.4 HA LYS 32 - HB3 LEU 64 far 0 81 0 - 9.6-11.1 Violated in 1 structures by 0.00 A. Peak 4700 from cnoeabs.peaks (1.22, 1.97, 41.01 ppm; 4.86 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 65 + HB2 LEU 64 OK 97 97 100 100 3.2-5.5 2669/266=83, 5965/3.1=79...(17) HG13 ILE 33 + HB2 LEU 64 OK 85 100 85 100 4.4-6.3 4853/3.1=77, ~6122=56...(12) QG1 VAL 65 + HB2 LEU 64 OK 68 97 70 100 5.4-6.5 2664/266=78, ~5965=52...(18) HG13 ILE 40 - HB2 LEU 64 far 0 98 0 - 8.2-10.8 HG2 ARG 69 - HB2 LEU 64 far 0 87 0 - 9.6-13.0 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 = 0.98: HA ILE 40 + QD1 LEU 43 OK 95 96 100 99 2.8-4.1 5125/2.1=60, 4372/624=51...(13) HD3 PRO 44 + QD1 LEU 43 OK 70 73 95 100 4.1-5.2 4388/2.1=73, ~4387=61...(17) HD3 PRO 14 - QD1 LEU 43 far 3 63 5 - 4.0-26.4 HA ARG 69 - QD1 LEU 43 far 0 90 0 - 7.4-8.5 HA VAL 65 - QD1 LEU 43 far 0 93 0 - 8.0-8.8 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 2.5-3.2 3.2/4761=50...(19) HG13 ILE 68 + HA VAL 65 OK 69 71 100 98 3.2-4.2 2.1/4761=64, 4.5/4747=34...(17) HG12 ILE 40 - HA VAL 65 far 5 99 5 - 3.7-6.1 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): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 40 + HA VAL 65 OK 100 100 100 100 2.9-3.9 1942/5033=59...(26) HG12 ILE 68 + HA VAL 65 OK 84 95 90 99 4.3-5.3 2.1/4761=74, 1.8/5044=50...(15) QD1 LEU 64 + HA VAL 65 OK 68 81 85 100 2.9-5.1 2.1/5032=47, 3919/3.0=39...(24) QG2 VAL 41 - HA VAL 65 far 0 100 0 - 5.9-7.0 QD2 LEU 62 - HA VAL 65 far 0 100 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. Peak 4706 from cnoeabs.peaks (0.79, 3.63, 67.03 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 68 + HA VAL 65 OK 98 98 100 100 1.9-2.7 4761=81, 5247/5033=39...(18) QG2 ILE 68 + HA VAL 65 OK 84 85 100 99 3.9-4.5 2.9/4761=51, 2.1/4704=38...(19) QG1 VAL 41 - HA VAL 65 far 0 99 0 - 8.2-9.2 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 3.1-4.3 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; 4.45 A): 2 out of 5 assignments used, quality = 0.91: QG2 ILE 40 + HB VAL 65 OK 70 71 100 99 3.8-5.3 5034/2.1=55, 3.0/4304=42...(18) QD2 LEU 62 + HB VAL 65 OK 69 71 100 98 3.6-5.0 4.0/4998=61, ~5006=55...(11) HG LEU 51 - HB VAL 65 far 0 95 0 - 5.9-8.5 HG12 ILE 68 - HB VAL 65 far 0 90 0 - 7.2-8.2 QD1 LEU 86 - HB VAL 65 far 0 89 0 - 9.2-35.3 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 99 4.0-5.0 939/4747=68, 5797/3.2=55...(10) H ARG 70 - HA VAL 65 far 0 89 0 - 6.3-7.4 H ALA 63 - HA VAL 65 far 0 99 0 - 6.7-6.9 H GLY 72 - HA VAL 65 far 0 81 0 - 8.0-9.3 H LEU 29 - HA VAL 65 far 0 87 0 - 9.4-10.6 H LYS 73 - HA VAL 65 far 0 65 0 - 9.7-10.7 H LYS 32 - HA VAL 65 far 0 60 0 - 10.0-11.2 Violated in 3 structures by 0.03 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 3.2-5.8 ~4718=67, ~4716=50...(10) HZ PHE 35 + HB VAL 65 OK 97 98 100 99 4.0-4.9 4591/4707=58...(10) QE PHE 35 + HB VAL 65 OK 97 97 100 100 4.8-5.3 4581/4955=52, ~5031=50...(15) Violated in 0 structures by 0.00 A. Peak 4714 from cnoeabs.peaks (7.94, 1.21, 23.08 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.93: H ASP 67 + QG2 VAL 65 OK 93 93 100 100 4.8-5.8 937/4.1=75, 3.6/5244=72...(17) H ARG 70 - QG2 VAL 65 far 0 99 0 - 7.3-8.4 H LYS 32 - QG2 VAL 65 far 0 100 0 - 7.5-8.7 H LEU 29 - QG2 VAL 65 far 0 99 0 - 7.9-9.2 Violated in 3 structures by 0.04 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 3.5-5.2 4697=73, 4.6/2669=68...(10) H LYS 39 - QG2 VAL 65 far 0 100 0 - 7.0-9.4 Violated in 1 structures by 0.01 A. Peak 4716 from cnoeabs.peaks (7.14, 1.21, 23.08 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.89: QE PHE 48 + QG2 VAL 65 OK 89 89 100 100 3.2-4.9 4540/4726=73...(19) 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 2.3-3.5 4576=43, 4581/4726=39...(26) HZ PHE 35 + QG2 VAL 65 OK 94 100 100 94 1.9-2.5 4590=39, 2.2/4576=32...(18) HZ PHE 48 - QG2 VAL 65 far 5 100 5 - 4.2-5.7 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 1.9-2.5 4540/4728=41...(21) 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 4 assignments used, quality = 1.00: HZ PHE 48 + QG1 VAL 65 OK 94 100 100 94 2.0-3.8 2.2/4718=50, 4615=30...(15) QE PHE 35 + QG1 VAL 65 OK 89 99 95 95 2.0-4.3 4581/4728=32...(23) HZ PHE 35 + QG1 VAL 65 OK 89 99 100 90 2.1-4.0 4590/2.1=28, 4590=28...(16) HD22 ASN 42 - QG1 VAL 65 far 0 92 0 - 9.7-11.9 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 2.3-3.4 4998=98, 4722/2.1=76...(11) HA THR 37 - HB VAL 65 far 0 100 0 - 7.7-8.7 HA ALA 28 - HB VAL 65 far 0 71 0 - 8.0-9.5 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 4 assignments used, quality = 0.97: HA LEU 62 + QG2 VAL 65 OK 97 98 100 99 1.9-3.7 4998/2.1=59, 4999=49...(16) HA THR 37 - QG2 VAL 65 far 0 100 0 - 4.5-6.7 HA ALA 28 - QG2 VAL 65 far 0 71 0 - 5.0-6.3 HA3 GLY 18 - QG2 VAL 65 far 0 100 0 - 10.0-18.2 Violated in 1 structures by 0.01 A. Peak 4723 from cnoeabs.peaks (3.93, 1.23, 22.65 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.96: HA LEU 62 + QG1 VAL 65 OK 96 97 100 99 2.7-4.4 4721/2.1=70, 4999=43...(14) HA THR 37 - QG1 VAL 65 far 5 100 5 - 4.7-6.8 HA ALA 28 - QG1 VAL 65 far 0 73 0 - 6.2-8.3 HA2 GLY 72 - QG1 VAL 65 far 0 60 0 - 7.8-9.5 Violated in 17 structures by 0.25 A. Peak 4724 from cnoeabs.peaks (0.96, 1.21, 23.08 ppm; 3.65 A): 3 out of 5 assignments used, quality = 0.94: QD1 LEU 64 + QG2 VAL 65 OK 68 100 70 97 2.9-5.2 2.1/5965=64...(18) QG2 ILE 40 + QG2 VAL 65 OK 61 65 100 94 2.9-4.4 1941/2.1=23, ~4304=19...(24) QD2 LEU 62 + QG2 VAL 65 OK 50 65 80 96 4.0-5.1 2.1/5006=60, 4.0/4722=44...(15) QG2 VAL 41 - QG2 VAL 65 far 0 78 0 - 6.2-7.7 QD2 LEU 43 - QG2 VAL 65 far 0 96 0 - 8.3-9.4 Violated in 2 structures by 0.01 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: QD1 ILE 33 + QG2 VAL 65 OK 96 100 100 96 1.9-3.1 1682/4727=47, 1684=46...(19) QD2 LEU 57 + QG2 VAL 65 OK 95 100 100 96 2.7-3.6 4612/4727=30...(23) 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 2.4-3.1 2.1/5315=44, 2290=39...(20) 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 2.8-3.7 1663=35, 1682/1684=31...(13) Violated in 1 structures by 0.01 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...(18) Violated in 0 structures by 0.00 A. Peak 4729 from cnoeabs.peaks (0.72, 1.23, 22.65 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 33 + QG1 VAL 65 OK 82 97 90 94 3.8-5.4 1684/2.1=41...(16) QD2 LEU 57 + QG1 VAL 65 OK 82 99 85 97 3.9-5.2 5751/4728=35, ~4707=33...(20) Violated in 5 structures by 0.06 A. Peak 4730 from cnoeabs.peaks (1.97, 1.23, 22.65 ppm; 4.87 A): 3 out of 7 assignments used, quality = 0.93: HB2 LEU 64 + QG1 VAL 65 OK 75 100 75 100 5.4-6.5 266/2664=80, ~5965=52...(18) HB3 ARG 66 + QG1 VAL 65 OK 57 65 90 97 3.4-5.9 742/4.1=49, ~5244=48...(10) HG LEU 57 + QG1 VAL 65 OK 32 93 35 99 5.4-6.7 ~4707=54, 2.1/4729=47...(11) QE MET 31 - QG1 VAL 65 far 0 81 0 - 6.5-7.9 HB3 ARG 70 - QG1 VAL 65 far 0 93 0 - 6.7-9.8 HG LEU 43 - QG1 VAL 65 far 0 83 0 - 6.8-9.5 HB2 ARG 70 - QG1 VAL 65 far 0 93 0 - 7.8-9.9 Violated in 1 structures by 0.00 A. Peak 4731 from cnoeabs.peaks (1.75, 1.21, 23.08 ppm; 5.60 A): 4 out of 11 assignments used, quality = 1.00: HB2 LEU 62 + QG2 VAL 65 OK 100 100 100 100 4.3-5.9 3.0/4722=98, 3.1/5006=91...(16) HB2 LEU 57 + QG2 VAL 65 OK 90 90 100 100 4.4-5.6 4981/4722=66, ~4707=58...(18) HB ILE 33 + QG2 VAL 65 OK 87 87 100 100 5.0-6.0 2.1/4727=100...(9) HG2 PRO 34 + QG2 VAL 65 OK 44 98 60 75 5.9-6.7 4862/1649=23...(8) HB2 PRO 34 - QG2 VAL 65 far 0 60 0 - 7.2-8.2 HB2 LYS 32 - QG2 VAL 65 far 0 76 0 - 7.3-9.6 HB2 LEU 43 - QG2 VAL 65 far 0 68 0 - 7.4-9.1 HB2 ARG 54 - QG2 VAL 65 far 0 92 0 - 7.7-8.9 HG3 ARG 71 - QG2 VAL 65 far 0 100 0 - 8.0-10.0 HB3 LYS 32 - QG2 VAL 65 far 0 76 0 - 8.4-10.0 HB2 ARG 84 - QG2 VAL 65 far 0 73 0 - 9.7-30.2 Violated in 0 structures by 0.00 A. Peak 4733 from cnoeabs.peaks (1.40, 3.98, 60.19 ppm; 4.53 A): 2 out of 5 assignments used, quality = 1.00: HB3 ARG 69 + HA ARG 66 OK 100 100 100 100 3.6-4.8 4766=92, 1.8/5047=84...(11) HG3 ARG 69 + HA ARG 66 OK 50 85 60 99 3.1-6.4 3.0/5047=68, 3.0/4766=62...(11) QB ALA 77 - HA ARG 66 far 0 83 0 - 5.5-17.4 QB ALA 78 - HA ARG 66 far 0 99 0 - 6.7-18.8 HG2 LYS 83 - HA ARG 66 far 0 65 0 - 9.5-33.3 Violated in 0 structures by 0.00 A. Peak 4734 from cnoeabs.peaks (1.21, 3.98, 60.19 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 65 + HA ARG 66 OK 85 100 85 100 4.8-5.3 5244=76, ~273=46...(15) QG1 VAL 65 + HA ARG 66 OK 85 85 100 100 2.8-4.2 2.1/5244=59, ~273=46...(19) HG2 ARG 69 + HA ARG 66 OK 35 65 55 98 3.3-6.3 3.0/5047=64, 3.0/4766=58...(11) HG LEU 52 - HA ARG 66 far 0 87 0 - 6.0-8.2 HG13 ILE 40 - HA ARG 66 far 0 87 0 - 6.5-9.4 HG13 ILE 33 - HA ARG 66 far 0 99 0 - 9.6-10.5 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 2.0-3.6 4605=100, 2.2/6072=65...(14) QE PHE 35 - HA ARG 66 far 0 99 0 - 7.2-8.2 HZ PHE 35 - HA ARG 66 far 0 99 0 - 7.7-8.6 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 3 assignments used, quality = 0.99: HA LEU 64 + HB2 ASP 67 OK 99 99 100 100 2.3-3.6 5288=86, 5287/1.8=73...(6) HA ALA 77 - HB2 ASP 67 far 0 81 0 - 8.8-20.8 HA SER 60 - HB2 ASP 67 far 0 73 0 - 8.8-10.6 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 3 assignments used, quality = 1.00: HA LEU 64 + HB3 ASP 67 OK 100 100 100 100 2.8-3.9 5288/1.8=85, 5287=73...(6) HA ALA 77 - HB3 ASP 67 far 0 68 0 - 8.1-20.6 HA SER 60 - HB3 ASP 67 far 0 85 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 4742 from cnoeabs.peaks (1.95, 4.48, 57.73 ppm; 3.46 A): 3 out of 7 assignments used, quality = 0.91: HB3 ARG 66 + HA ASP 67 OK 62 99 70 90 4.1-5.7 279/3.0=27, 5051=25...(15) HB3 ARG 70 + HA ASP 67 OK 57 100 65 89 2.1-5.6 2.9/5049=37, 4.1/4792=33...(9) HB2 ARG 70 + HA ASP 67 OK 44 100 50 89 2.8-5.7 2.9/5049=37, 4.1/4792=33...(9) HG13 ILE 68 - HA ASP 67 far 0 68 0 - 5.1-5.6 HB2 GLN 79 - HA ASP 46 far 0 74 0 - 7.4-30.9 HB2 LEU 64 - HA ASP 67 far 0 78 0 - 7.7-8.5 HB2 GLN 79 - HA ASP 67 far 0 89 0 - 8.9-26.3 Violated in 10 structures by 0.05 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 91 95 100 96 3.3-4.9 2770/286=68, 5975/1.8=55...(6) HB3 ARG 66 + HB2 ASP 67 OK 84 100 90 94 4.0-6.0 4.6/749=68, 742/5811=55...(6) HB3 ARG 70 - HB2 ASP 67 poor 17 87 20 - 4.8-8.1 HB2 ARG 70 - HB2 ASP 67 far 4 87 5 - 5.6-8.2 HB2 MET 31 - HB2 ASP 67 far 0 100 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 4744 from cnoeabs.peaks (0.96, 2.90, 41.70 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 64 + HB2 ASP 67 OK 98 100 100 99 3.2-5.2 5020/1.8=83...(5) QG2 ILE 40 - HB2 ASP 67 far 0 57 0 - 6.3-7.5 QD2 LEU 62 - HB2 ASP 67 far 0 57 0 - 6.8-9.1 QG2 VAL 41 - HB2 ASP 67 far 0 71 0 - 7.4-9.2 Violated in 9 structures by 0.17 A. Peak 4745 from cnoeabs.peaks (1.92, 2.84, 41.70 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.99: HG13 ILE 68 + HB3 ASP 67 OK 97 100 100 97 3.0-5.1 2770/287=69, 5975=44...(6) HB3 ARG 66 + HB3 ASP 67 OK 57 89 70 91 4.1-7.0 4.6/750=63, 4.0/5813=44...(6) HB ILE 68 + HB3 ASP 67 OK 51 63 90 91 4.6-6.3 3.9/287=69, 2.9/5975=39...(5) HG12 ILE 40 - HB3 ASP 67 far 0 83 0 - 7.2-11.2 HB2 MET 31 - HB3 ASP 67 far 0 97 0 - 9.2-10.7 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 7 assignments used, quality = 0.95: QD1 LEU 64 + HB3 ASP 67 OK 86 87 100 99 2.8-4.6 5020=85, 2648/4739=59...(7) HG12 ILE 68 + HB3 ASP 67 OK 67 90 90 82 4.5-6.7 4.5/287=54, 1.8/5975=37...(4) QG2 ILE 40 - HB3 ASP 67 far 0 99 0 - 5.9-7.6 QG2 VAL 41 - HB3 ASP 67 far 0 100 0 - 7.0-8.7 QD2 LEU 62 - HB3 ASP 67 far 0 99 0 - 7.3-10.0 QG1 VAL 76 - HB3 ASP 67 far 0 90 0 - 7.8-15.8 QG2 VAL 76 - HB3 ASP 67 far 0 90 0 - 9.3-17.5 Violated in 2 structures by 0.00 A. Peak 4748 from cnoeabs.peaks (1.79, 3.51, 65.41 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.36: HB2 ARG 69 + HA ILE 68 OK 36 97 40 92 5.4-5.6 760/3.6=74, ~5821=20...(8) HB3 LYS 73 - HA ILE 68 far 0 93 0 - 8.2-9.7 HB3 LYS 75 - HA ILE 68 far 0 100 0 - 9.6-15.4 HB ILE 33 - HA ILE 68 far 0 76 0 - 10.0-11.5 Violated in 20 structures by 0.91 A. Peak 4749 from cnoeabs.peaks (1.21, 1.90, 38.07 ppm; 4.70 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 65 + HB ILE 68 OK 99 100 100 99 3.9-5.0 3.2/4704=47, ~5964=44...(18) QG1 VAL 65 + HB ILE 68 OK 76 76 100 100 3.1-4.5 5964/2.1=49, 3.2/4704=47...(20) HG13 ILE 40 + HB ILE 68 OK 74 78 95 100 4.2-5.8 2.1/5246=79, ~5249=67...(21) HG13 ILE 33 - HB ILE 68 far 0 97 0 - 6.0-7.7 HG LEU 52 - HB ILE 68 far 0 93 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 4750 from cnoeabs.peaks (3.64, 1.90, 38.07 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 65 + HB ILE 68 OK 100 100 100 100 2.5-3.2 4704=59, 4761/3.2=54...(20) HA ARG 69 + HB ILE 68 OK 97 99 100 98 4.3-4.6 2.9/290=71, ~291=37...(13) HA ILE 40 - HB ILE 68 far 0 100 0 - 5.2-6.9 Violated in 0 structures by 0.00 A. Peak 4751 from cnoeabs.peaks (3.63, 0.81, 17.06 ppm; 3.87 A): 3 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=63, 4767=48...(20) HA VAL 65 + QG2 ILE 68 OK 100 100 100 100 3.9-4.5 4761/2.9=59...(20) HA ILE 40 + QG2 ILE 68 OK 30 100 30 99 4.3-5.7 3.0/4753=52, 4.1/5249=48...(18) 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 3 assignments used, quality = 0.97: HB3 ASP 24 + QG2 ILE 68 OK 85 96 90 99 2.5-6.2 4160=57, ~4760=55...(10) HB2 ASP 24 + QG2 ILE 68 OK 79 81 100 98 1.9-5.1 1.8/4160=56, 4760/2.9=55...(9) HB3 ASP 47 - QG2 ILE 68 far 0 93 0 - 9.8-12.9 Violated in 1 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 1.9-3.1 3.2/5249=70, 2.1/4298=55...(27) HB2 PRO 36 - QG2 ILE 68 far 0 85 0 - 6.4-7.3 HG2 PRO 36 - QG2 ILE 68 far 0 96 0 - 7.0-8.1 HG3 PRO 36 - QG2 ILE 68 far 0 97 0 - 8.2-9.3 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 = 0.98: QG2 THR 37 + QG2 ILE 68 OK 98 100 100 99 3.0-3.7 2.1/4763=61, 4284=57...(19) HG LEU 52 - QG2 ILE 68 far 0 83 0 - 8.3-9.7 QG2 THR 15 - QG2 ILE 68 far 0 90 0 - 8.6-19.9 Violated in 0 structures by 0.00 A. Peak 4755 from cnoeabs.peaks (1.36, 0.81, 17.06 ppm; 5.12 A): 3 out of 10 assignments used, quality = 0.94: QB ALA 28 + QG2 ILE 68 OK 64 65 100 98 3.0-5.0 5302/2.9=59, ~5928=56...(12) HB3 ARG 69 + QG2 ILE 68 OK 60 60 100 99 4.4-5.8 4.0/291=78, ~4748=53...(11) HG3 ARG 69 + QG2 ILE 68 OK 56 97 60 97 4.3-6.5 4.7/291=68, ~4748=41...(10) QB ALA 20 - QG2 ILE 68 far 10 96 10 - 5.6-12.2 QB ALA 77 - QG2 ILE 68 far 0 97 0 - 6.7-14.9 HG3 LYS 73 - QG2 ILE 68 far 0 78 0 - 7.7-9.2 HG3 LYS 75 - QG2 ILE 68 far 0 73 0 - 8.1-14.3 QB ALA 78 - QG2 ILE 68 far 0 78 0 - 8.2-17.2 HG2 LYS 75 - QG2 ILE 68 far 0 73 0 - 8.7-14.1 QB ALA 16 - QG2 ILE 68 far 0 99 0 - 9.0-17.2 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 2.1-4.4 4760/2.1=94, 5976/1.8=69...(10) HB3 ASP 24 + HG12 ILE 68 OK 73 73 100 99 2.7-6.1 ~4760=76, 1.8/5508=60...(9) 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 = 0.80: QG2 VAL 65 + QD1 ILE 68 OK 61 68 100 90 2.7-3.9 3.2/4761=48, ~5044=21...(17) QG2 THR 37 + QD1 ILE 68 OK 49 92 55 98 2.8-4.9 4754/2.9=48...(19) HG LEU 52 - QD1 ILE 68 far 0 98 0 - 7.9-9.2 QG2 THR 15 - QD1 ILE 68 far 0 100 0 - 9.7-19.1 Violated in 1 structures by 0.00 A. Peak 4758 from cnoeabs.peaks (1.34, 0.78, 13.95 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 28 + QD1 ILE 68 OK 100 100 100 100 2.1-3.5 5302=99, 2.1/5928=37...(12) HB2 LEU 52 - QD1 ILE 68 far 0 100 0 - 8.3-9.8 HB2 LEU 51 - QD1 ILE 68 far 0 87 0 - 8.3-10.8 QB ALA 16 - QD1 ILE 68 far 0 83 0 - 8.5-16.2 QG2 THR 58 - QD1 ILE 68 far 0 65 0 - 9.1-10.7 HG3 LYS 32 - QD1 ILE 68 far 0 97 0 - 9.5-11.3 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 1.9-3.6 5242=89, 3.0/5252=49...(12) HG2 LYS 39 - QD1 ILE 68 far 0 100 0 - 6.2-8.7 HG3 ARG 23 - QD1 ILE 68 far 0 99 0 - 6.9-12.0 HG LEU 62 - QD1 ILE 68 far 0 89 0 - 7.4-8.7 Violated in 1 structures by 0.00 A. Peak 4760 from cnoeabs.peaks (2.56, 0.78, 13.95 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.62: HB2 ASP 24 + QD1 ILE 68 OK 62 100 65 96 2.8-5.5 5508/2.1=45, 5507=37...(17) HB2 GLN 61 - QD1 ILE 68 far 0 57 0 - 6.9-7.9 Violated in 15 structures by 0.56 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 99 1.9-2.7 4706=52, 5033/5247=45...(18) HA ILE 40 - QD1 ILE 68 far 0 98 0 - 5.4-7.0 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 2.6-3.8 3.2/4754=69...(23) HA2 GLY 72 + QG2 ILE 68 OK 70 81 100 87 3.3-5.0 3.0/5056=33, 4797=32...(10) HA ALA 28 - QG2 ILE 68 far 9 90 10 - 4.9-7.0 HA3 GLY 21 - QG2 ILE 68 far 5 98 5 - 5.1-12.2 HA2 GLY 21 - QG2 ILE 68 far 0 97 0 - 6.4-12.4 HA3 GLY 18 - QG2 ILE 68 far 0 95 0 - 8.1-16.4 HA LEU 62 - QG2 ILE 68 far 0 87 0 - 8.2-8.9 HA VAL 76 - QG2 ILE 68 far 0 68 0 - 8.5-15.5 HA GLN 61 - QG2 ILE 68 far 0 76 0 - 8.5-9.4 HA2 GLY 18 - QG2 ILE 68 far 0 93 0 - 8.9-15.6 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 5 assignments used, quality = 1.00: HB THR 37 + QG2 ILE 68 OK 100 100 100 100 1.9-4.0 2.1/4754=78...(20) HA LYS 39 - QG2 ILE 68 far 0 63 0 - 6.5-7.7 HA GLN 79 - QG2 ILE 68 far 0 71 0 - 8.6-23.2 HA LYS 75 - QG2 ILE 68 far 0 78 0 - 8.6-12.7 HA ALA 77 - QG2 ILE 68 far 0 97 0 - 9.2-17.8 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 11 assignments used, quality = 1.00: HA ALA 28 + QD1 ILE 68 OK 99 100 100 100 2.7-4.3 2.1/4758=95, 5928=65...(9) HA THR 37 + QD1 ILE 68 OK 87 87 100 100 2.8-4.4 4313/5247=75, 4281=45...(20) HA GLN 61 - QD1 ILE 68 poor 19 97 20 - 5.3-6.5 HA ARG 66 - QD1 ILE 68 poor 19 76 25 - 5.4-6.5 HA LEU 62 - QD1 ILE 68 far 0 57 0 - 5.9-7.1 HA2 GLY 72 - QD1 ILE 68 far 0 98 0 - 6.4-8.3 HA3 GLY 18 - QD1 ILE 68 far 0 71 0 - 7.4-15.4 HA LYS 32 - QD1 ILE 68 far 0 76 0 - 7.7-9.7 HA3 GLY 21 - QD1 ILE 68 far 0 100 0 - 7.8-12.8 HA2 GLY 18 - QD1 ILE 68 far 0 68 0 - 8.4-15.4 HA2 GLY 21 - QD1 ILE 68 far 0 100 0 - 9.1-12.5 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 5 assignments used, quality = 0.98: HB THR 37 + QD1 ILE 68 OK 89 89 100 100 2.8-3.8 4763/2.9=58, ~4754=54...(19) HA LEU 64 + QD1 ILE 68 OK 83 83 100 100 4.0-4.4 3.0/5252=81, 6071=79...(6) HA ALA 20 - QD1 ILE 68 far 0 81 0 - 7.8-13.4 HA LYS 39 - QD1 ILE 68 far 0 97 0 - 7.9-9.3 HA GLU 19 - QD1 ILE 68 far 0 89 0 - 8.6-15.2 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 3 assignments used, quality = 0.99: HA ARG 66 + HB3 ARG 69 OK 99 100 100 100 3.6-4.8 5047/1.8=87, 4733=66...(11) HA2 GLY 72 - HB3 ARG 69 far 0 98 0 - 5.8-7.4 HA VAL 76 - HB3 ARG 69 far 0 100 0 - 7.3-16.6 Violated in 2 structures by 0.01 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 3.3-3.7 291/2.9=64, 4751=43...(20) QG1 VAL 41 + HA ARG 69 OK 99 99 100 99 3.4-4.3 2.1/5130=75, 4903/3.9=41...(22) QD1 ILE 68 - HA ARG 69 far 0 81 0 - 5.8-6.0 QD1 LEU 43 - HA ARG 69 far 0 63 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 4768 from cnoeabs.peaks (2.04, 3.63, 59.20 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.99: HD2 ARG 69 + HA ARG 69 OK 94 95 100 100 2.0-4.7 4.6=80, 3.0/2789=41...(25) HD3 ARG 69 + HA ARG 69 OK 89 95 95 100 3.1-5.2 4.6=80, 3.0/2789=41...(25) HB VAL 76 - HA ARG 69 far 0 100 0 - 8.0-16.8 HB VAL 45 - HA ARG 69 far 0 78 0 - 9.5-10.6 Violated in 1 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 84 87 100 96 2.2-4.0 4302/3.0=44, 4326/2.9=41...(18) QG2 VAL 41 + HA ARG 69 OK 74 76 100 97 2.0-3.2 5130=65, 2.1/4767=28...(23) HG12 ILE 68 - HA ARG 69 far 0 98 0 - 6.4-6.7 QG2 VAL 76 - HA ARG 69 far 0 98 0 - 7.1-14.6 QG1 VAL 76 - HA ARG 69 far 0 98 0 - 7.4-12.4 QD2 LEU 62 - HA ARG 69 far 0 87 0 - 8.7-11.0 HG LEU 51 - HA ARG 69 far 0 83 0 - 9.8-11.7 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 = 1.00: QG2 ILE 40 + HB2 ARG 69 OK 99 99 100 100 2.4-4.2 4303=98, 4302/1.8=90...(16) QG2 VAL 41 + HB2 ARG 69 OK 91 96 95 100 4.0-5.8 5130/3.0=70, ~4903=38...(20) QG1 VAL 76 - HB2 ARG 69 far 0 100 0 - 6.3-13.6 QD2 LEU 62 - HB2 ARG 69 far 0 99 0 - 6.7-9.1 HG12 ILE 68 - HB2 ARG 69 far 0 100 0 - 6.8-7.5 QG2 VAL 76 - HB2 ARG 69 far 0 100 0 - 8.3-14.8 QD2 LEU 43 - HB2 ARG 69 far 0 78 0 - 8.9-10.8 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 1.9-4.3 4302=88, 4303/1.8=83...(16) QG2 VAL 41 + HB3 ARG 69 OK 96 97 100 100 3.9-5.2 5130/3.0=71, 4347=43...(21) QG1 VAL 76 - HB3 ARG 69 far 0 100 0 - 7.0-13.1 QG2 VAL 76 - HB3 ARG 69 far 0 100 0 - 7.0-15.3 QD2 LEU 62 - HB3 ARG 69 far 0 99 0 - 7.2-10.2 HG12 ILE 68 - HB3 ARG 69 far 0 100 0 - 7.6-8.5 QD2 LEU 43 - HB3 ARG 69 far 0 81 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 4776 from cnoeabs.peaks (3.96, 1.24, 27.02 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.71: HA ALA 28 + HG13 ILE 33 OK 60 60 100 100 2.0-2.9 4175/1.8=71, 4174/2.1=60...(14) HA ARG 66 + HG2 ARG 69 OK 28 97 30 96 3.3-6.3 5047/3.0=57, 4766/3.0=51...(11) HA2 GLY 72 - HG2 ARG 69 far 5 100 5 - 4.9-8.2 HA GLN 61 - HG13 ILE 33 far 0 63 0 - 5.1-6.5 HA THR 37 - HG13 ILE 33 far 0 29 0 - 5.5-6.0 HA LYS 32 - HG13 ILE 33 far 0 57 0 - 5.7-6.6 HA THR 37 - HG2 ARG 69 far 0 57 0 - 7.1-11.0 HA VAL 76 - HG2 ARG 69 far 0 100 0 - 8.2-16.5 HA ARG 66 - HG13 ILE 33 far 0 57 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 4777 from cnoeabs.peaks (3.98, 1.38, 27.02 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.99: HA ARG 66 + HG3 ARG 69 OK 95 100 95 100 3.1-6.4 5047/3.0=82, 4766/3.0=76...(11) HA ARG 70 + HG3 ARG 69 OK 63 78 80 100 3.2-6.3 2.9/3944=76, ~3943=64...(16) HA2 GLY 72 + HG3 ARG 69 OK 26 89 35 83 5.4-7.7 4796/4347=30...(8) HA VAL 76 - HG3 ARG 69 far 0 96 0 - 9.0-15.8 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 8 assignments used, quality = 0.98: QG2 ILE 40 + HG3 ARG 69 OK 87 92 95 100 1.9-5.4 4302/3.0=71, 4303/3.0=64...(17) QG2 VAL 41 + HG3 ARG 69 OK 83 97 85 100 3.0-6.0 5130/3.9=62, 3.2/5253=60...(24) QG1 VAL 76 - HG3 ARG 69 far 0 73 0 - 5.3-12.8 QG2 VAL 76 - HG3 ARG 69 far 0 73 0 - 6.8-13.7 QD2 LEU 43 - HG3 ARG 69 far 0 100 0 - 7.3-11.2 QD2 LEU 62 - HG3 ARG 69 far 0 92 0 - 7.6-10.4 HG12 ILE 68 - HG3 ARG 69 far 0 73 0 - 7.7-9.7 QD1 LEU 64 - HG3 ARG 69 far 0 97 0 - 8.4-10.6 Violated in 1 structures by 0.01 A. Peak 4779 from cnoeabs.peaks (0.95, 1.24, 27.02 ppm; 4.54 A): 3 out of 13 assignments used, quality = 0.98: QG2 VAL 41 + HG2 ARG 69 OK 82 97 85 100 3.3-6.2 2.1/4903=67, 5130/3.9=64...(19) QG2 ILE 40 + HG2 ARG 69 OK 72 90 80 100 1.9-5.7 4302/3.0=72, 4303/3.0=66...(18) QD1 LEU 64 + HG13 ILE 33 OK 59 59 100 99 2.9-5.1 ~6122=66, ~5029=45...(14) QG1 VAL 76 - HG2 ARG 69 far 4 71 5 - 4.5-11.7 HG12 ILE 68 - HG13 ILE 33 far 0 37 0 - 5.6-7.6 QG2 ILE 40 - HG13 ILE 33 far 0 51 0 - 6.2-7.7 QG2 VAL 76 - HG2 ARG 69 far 0 71 0 - 6.4-14.2 HG12 ILE 68 - HG2 ARG 69 far 0 71 0 - 7.5-9.7 QD1 LEU 64 - HG2 ARG 69 far 0 98 0 - 7.7-10.6 QD2 LEU 62 - HG2 ARG 69 far 0 90 0 - 7.7-10.3 QD2 LEU 43 - HG2 ARG 69 far 0 100 0 - 7.8-11.3 QG2 VAL 41 - HG13 ILE 33 far 0 57 0 - 8.6-10.2 QD2 LEU 62 - HG13 ILE 33 far 0 51 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 4780 from cnoeabs.peaks (0.93, 2.03, 42.48 ppm; 4.52 A): 4 out of 16 assignments used, quality = 0.99: QG2 ILE 40 + HD2 ARG 69 OK 93 100 95 99 2.1-5.5 4302/3.9=65, 4303/3.9=60...(13) QG2 ILE 40 + HD3 ARG 69 OK 83 100 85 98 2.5-6.6 4302/3.9=65, 4303/3.9=60...(14) QG2 VAL 41 + HD2 ARG 69 OK 29 97 30 99 2.6-6.7 5130/4.6=53, ~4903=42...(17) QG2 VAL 41 + HD3 ARG 69 OK 24 97 25 99 4.0-7.1 5130/4.6=53, ~4903=42...(17) QG2 VAL 76 - HD3 ARG 69 far 5 100 5 - 5.3-14.7 QG1 VAL 76 - HD3 ARG 69 far 5 100 5 - 5.4-13.8 QG1 VAL 76 - HD2 ARG 69 far 0 100 0 - 5.7-13.0 QG2 VAL 76 - HD2 ARG 69 far 0 100 0 - 5.9-14.7 QD2 LEU 62 - HD3 ARG 69 far 0 100 0 - 6.5-9.7 QD2 LEU 62 - HD2 ARG 69 far 0 100 0 - 6.5-9.8 QD2 LEU 43 - HD2 ARG 69 far 0 83 0 - 6.9-10.9 QD2 LEU 43 - HD3 ARG 69 far 0 83 0 - 6.9-11.3 HG12 ILE 68 - HD2 ARG 69 far 0 100 0 - 7.5-10.4 QD1 LEU 64 - HD3 ARG 69 far 0 57 0 - 8.3-11.4 HG12 ILE 68 - HD3 ARG 69 far 0 100 0 - 8.5-10.9 QD1 LEU 64 - HD2 ARG 69 far 0 57 0 - 8.9-11.3 Violated in 1 structures by 0.02 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 2.7-6.0 5981/1.8=74, 5979/3.0=61...(17) Violated in 4 structures by 0.04 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 = 1.00: QE PHE 48 + HD2 ARG 69 OK 97 99 100 99 2.5-5.0 5981/3.0=43, 2.2/5823=37...(18) QE PHE 48 + HD3 ARG 69 OK 97 99 100 99 2.5-4.9 5981/3.0=43, 2.2/4790=35...(17) 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 = 1.00: QE PHE 48 + HD2 ARG 69 OK 99 100 100 99 2.5-5.0 5981/3.0=43, 4784/3.0=38...(18) QE PHE 48 + HD3 ARG 69 OK 98 100 100 99 2.5-4.9 5981/3.0=43, 4784/3.0=38...(17) Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (6.96, 2.03, 42.48 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.99: HZ PHE 48 + HD2 ARG 69 OK 90 96 95 100 3.0-5.9 5978/3.9=44, 2.2/4789=40...(18) HZ PHE 48 + HD3 ARG 69 OK 90 96 95 100 3.0-5.8 5978/3.9=44, 2.2/4789=40...(18) QE PHE 35 - HD2 ARG 69 far 0 92 0 - 7.0-10.0 QE PHE 35 - HD3 ARG 69 far 0 92 0 - 7.7-11.3 HD22 ASN 42 - HD2 ARG 69 far 0 78 0 - 7.9-13.2 HZ PHE 35 - HD2 ARG 69 far 0 93 0 - 8.4-11.4 HD22 ASN 42 - HD3 ARG 69 far 0 78 0 - 8.8-13.5 HZ PHE 35 - HD3 ARG 69 far 0 93 0 - 9.1-12.4 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 1.9-4.1 4335=99, 2.1/4338=73...(15) QG2 ILE 40 - HA3 GLY 72 far 0 100 0 - 5.6-8.2 HG12 ILE 68 - HA3 GLY 72 far 0 97 0 - 6.5-9.1 QG1 VAL 76 - HA3 GLY 72 far 0 97 0 - 6.9-12.1 QG2 VAL 76 - HA3 GLY 72 far 0 97 0 - 7.1-13.0 QD1 LEU 64 - HA3 GLY 72 far 0 73 0 - 8.0-11.3 Violated in 1 structures by 0.00 A. Peak 4795 from cnoeabs.peaks (0.80, 3.74, 46.02 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 41 + HA3 GLY 72 OK 100 100 100 100 2.8-4.7 4338=98, 4339/1.8=73...(14) QG2 ILE 68 + HA3 GLY 72 OK 34 96 45 80 3.6-5.8 4797/1.8=32, 5056/3.0=28...(7) QD1 ILE 68 - HA3 GLY 72 far 0 90 0 - 6.7-9.0 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 1.9-3.0 4335/1.8=84, 2.1/4339=76...(19) QG2 ILE 40 - HA2 GLY 72 far 10 100 10 - 5.0-6.9 HG12 ILE 68 - HA2 GLY 72 far 0 99 0 - 6.3-8.6 QG1 VAL 76 - HA2 GLY 72 far 0 99 0 - 6.6-12.1 QG2 VAL 76 - HA2 GLY 72 far 0 99 0 - 6.8-13.2 QD1 LEU 64 - HA2 GLY 72 far 0 63 0 - 7.8-11.0 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 1.9-3.7 4339=96, 4338/1.8=78...(18) QG2 ILE 68 + HA2 GLY 72 OK 75 93 95 84 3.3-5.0 5056/3.0=29, 4762=25...(10) QD1 ILE 68 - HA2 GLY 72 far 0 93 0 - 6.4-8.3 Violated in 0 structures by 0.00 A. Peak 4799 from cnoeabs.peaks (1.91, 3.74, 46.02 ppm; 5.49 A): 1 out of 5 assignments used, quality = 0.86: HB VAL 41 + HA3 GLY 72 OK 86 90 95 100 4.3-6.4 2.1/4794=98, 2.1/4338=97...(12) HB ILE 68 - HA3 GLY 72 far 4 89 5 - 5.9-8.7 HG13 ILE 68 - HA3 GLY 72 far 0 97 0 - 7.2-9.8 HG12 ILE 40 - HA3 GLY 72 far 0 98 0 - 7.3-11.4 HB2 GLU 19 - HA3 GLY 72 far 0 100 0 - 8.2-21.4 Violated in 9 structures by 0.15 A. Peak 4800 from cnoeabs.peaks (4.25, 3.95, 45.26 ppm; 4.06 A): 4 out of 24 assignments used, quality = 0.95: HA ALA 20 + HA3 GLY 21 OK 65 93 100 70 4.3-4.7 5494=31, 5494/1.8=30...(4) HA ALA 20 + HA2 GLY 21 OK 59 93 90 70 4.4-5.3 5494/1.8=31, 5494=30...(4) HA GLU 19 + HA3 GLY 18 OK 39 62 100 63 4.3-4.8 3.0/25=26, ~24=22...(8) HA GLU 19 + HA2 GLY 18 OK 37 60 95 65 4.3-5.2 3.0/25=26, ~25=22...(9) HA ALA 77 - HA3 GLY 18 far 3 58 5 - 3.8-38.0 HA ALA 77 - HA2 GLY 18 far 3 56 5 - 2.6-37.4 HA ALA 20 - HA3 GLY 18 far 0 58 0 - 5.4-7.7 HA ALA 20 - HA2 GLY 18 far 0 56 0 - 5.7-8.0 HA GLU 19 - HA2 GLY 21 far 0 97 0 - 5.8-8.5 HA GLU 19 - HA3 GLY 21 far 0 97 0 - 6.4-8.1 HB THR 37 - HA3 GLY 18 far 0 42 0 - 6.4-17.7 HB THR 37 - HA2 GLY 18 far 0 40 0 - 7.2-16.9 HB THR 37 - HA3 GLY 21 far 0 73 0 - 7.3-12.6 HA THR 15 - HA2 GLY 18 far 0 65 0 - 7.6-11.8 HA LYS 75 - HA3 GLY 21 far 0 100 0 - 7.8-27.6 HA THR 15 - HA3 GLY 18 far 0 67 0 - 7.8-11.5 HB THR 37 - HA2 GLY 21 far 0 73 0 - 8.2-12.5 HA ALA 77 - HA3 GLY 21 far 0 93 0 - 8.3-31.9 HA LYS 75 - HA2 GLY 21 far 0 100 0 - 8.4-27.3 HA LYS 39 - HA3 GLY 18 far 0 67 0 - 8.4-20.9 HA LYS 39 - HA2 GLY 18 far 0 64 0 - 8.8-20.7 HA LYS 75 - HA2 GLY 18 far 0 64 0 - 9.3-33.0 HA ALA 77 - HA2 GLY 21 far 0 93 0 - 9.5-30.7 HA LYS 39 - HA3 GLY 21 far 0 100 0 - 9.9-18.2 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 3 assignments used, quality = 1.00: HA LYS 13 + HD2 PRO 14 OK 100 100 100 100 2.3-2.7 4817=97, 4816/1.8=70...(9) HA LEU 43 - HD2 PRO 14 far 0 98 0 - 5.2-35.4 HA PRO 44 - HD2 PRO 14 far 0 68 0 - 9.4-38.7 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 1.9-2.4 4816=90, 4817/1.8=71...(8) HA LEU 43 - HD3 PRO 14 far 0 99 0 - 6.0-35.3 Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (0.86, 2.30, 36.07 ppm; 4.57 A): 2 out of 8 assignments used, quality = 0.85: QD2 LEU 29 + HG3 GLU 25 OK 73 95 80 97 3.1-7.3 4165/1.8=76...(10) QD1 LEU 62 + HG3 GLU 59 OK 45 62 80 89 4.0-6.5 5365/4.2=60, 4642/1.8=47...(5) QD1 LEU 29 - HG3 GLU 25 far 11 76 15 - 3.5-9.4 QD2 LEU 64 - HG3 GLU 25 far 0 95 0 - 7.4-10.3 QG2 ILE 89 - HG3 GLU 59 far 0 64 0 - 7.7-42.8 QD2 LEU 64 - HG3 GLU 59 far 0 68 0 - 9.2-11.4 QD2 LEU 86 - HG3 GLU 59 far 0 47 0 - 9.3-35.9 QD1 LEU 43 - HG3 GLU 25 far 0 63 0 - 9.8-15.4 Violated in 1 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 92 100 100 2.0-4.8 3.1/5394=66, 3.1/5348=65...(16) QD2 LEU 29 + HA ARG 26 OK 80 81 100 100 1.9-3.6 3.1/5394=66, 3.1/5348=65...(18) QD2 LEU 29 + HA GLU 25 OK 48 57 90 94 3.3-5.8 4165/4.1=44...(13) QD1 LEU 29 - HA GLU 25 far 3 67 5 - 4.7-7.8 QD2 LEU 64 - HA GLU 25 far 0 57 0 - 5.7-7.3 QD2 LEU 64 - HA ARG 26 far 0 81 0 - 6.8-7.7 QD2 LEU 64 - HA ARG 71 far 0 67 0 - 9.7-12.3 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 98 2.6-3.0 5388=94, 5519/3.0=26...(8) HG12 ILE 33 - HA ARG 27 far 0 100 0 - 6.1-7.3 HG12 ILE 33 - HA GLU 25 far 0 56 0 - 6.5-8.4 QB ALA 30 - HA ARG 23 far 0 74 0 - 6.6-9.7 QB ALA 30 - HA GLU 25 far 0 55 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (1.79, 3.79, 50.51 ppm; 4.66 A): 1 out of 7 assignments used, quality = 1.00: HB2 LYS 13 + HD2 PRO 14 OK 100 100 100 100 2.0-4.9 4.8=93, 4820/1.8=93...(9) HB3 LYS 39 - HD2 PRO 14 far 5 99 5 - 4.7-30.1 HB3 LYS 32 - HD2 PRO 14 far 4 89 5 - 3.5-24.9 HB2 LYS 32 - HD2 PRO 14 far 4 89 5 - 5.2-26.4 HB ILE 33 - HD2 PRO 14 far 0 78 0 - 7.7-24.8 HB2 PRO 34 - HD2 PRO 14 far 0 97 0 - 7.9-26.1 HB3 ARG 82 - HD2 PRO 14 far 0 71 0 - 8.5-60.6 Violated in 5 structures by 0.06 A. Peak 4816 from cnoeabs.peaks (3.63, 4.54, 54.13 ppm; 3.10 A): 1 out of 5 assignments used, quality = 0.95: HD3 PRO 14 + HA LYS 13 OK 95 98 100 97 1.9-2.4 4802=74, 1.8/4817=70...(8) HA ILE 40 - HA LEU 43 far 0 90 0 - 5.8-6.6 HD3 PRO 14 - HA LEU 43 far 0 88 0 - 6.0-35.3 HA ARG 69 - HA LEU 43 far 0 92 0 - 9.1-10.0 HA ILE 40 - HA LYS 13 far 0 99 0 - 9.6-32.6 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 = 0.96: HD2 PRO 14 + HA LYS 13 OK 96 97 100 98 2.3-2.7 4801=88, 1.8/4816=66...(9) HD2 PRO 14 - HA LEU 43 far 0 87 0 - 5.2-35.4 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (3.62, 1.79, 32.38 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: HD3 PRO 14 + HB2 LYS 13 OK 100 100 100 100 3.4-4.0 4820=100, 4802/3.0=84...(9) HA ILE 40 + HB3 LYS 39 OK 72 82 90 98 4.1-5.6 3.0/130=70, ~129=53...(11) HA ARG 69 - HB3 LYS 73 poor 13 83 25 61 4.5-7.8 4767/4346=25...(6) HD3 PRO 14 - HB3 LYS 39 far 5 99 5 - 3.6-29.6 HA ARG 69 - HB3 LYS 75 far 0 79 0 - 7.5-12.4 HA VAL 65 - HB3 LYS 39 far 0 86 0 - 7.8-11.5 HA ARG 69 - HB3 LYS 39 far 0 89 0 - 8.5-10.8 HA ILE 40 - HB3 LYS 73 far 0 76 0 - 9.1-12.6 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 3.8-4.7 4.8=100 Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (1.79, 3.62, 50.51 ppm; 3.95 A): 1 out of 7 assignments used, quality = 0.99: HB2 LYS 13 + HD3 PRO 14 OK 99 100 100 99 3.4-4.0 3.0/4816=72, 4.8=56...(9) HB3 LYS 39 - HD3 PRO 14 far 5 97 5 - 3.6-29.6 HB3 LYS 32 - HD3 PRO 14 far 4 83 5 - 3.1-25.0 HB2 LYS 32 - HD3 PRO 14 far 4 83 5 - 4.7-25.9 HB2 PRO 34 - HD3 PRO 14 far 0 93 0 - 6.9-25.2 HB ILE 33 - HD3 PRO 14 far 0 71 0 - 8.0-24.1 HB3 ARG 82 - HD3 PRO 14 far 0 63 0 - 9.3-60.8 Violated in 3 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (1.67, 3.62, 50.51 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.97: HB3 LYS 13 + HD3 PRO 14 OK 92 92 100 100 3.8-4.7 4.8=100 HD3 LYS 13 + HD3 PRO 14 OK 42 100 45 93 3.0-6.7 3.5/4820=73, 5.4/4816=54...(5) HD2 LYS 13 + HD3 PRO 14 OK 28 100 30 93 3.9-7.0 3.5/4820=73, 5.4/4816=54...(5) 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 10 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 2.4-3.0 3.0=100 H GLY 21 + HA3 GLY 21 OK 56 56 100 100 2.6-3.0 2.9=100 H GLY 21 + HA2 GLY 21 OK 54 54 100 100 2.3-2.9 2.9=100 H ARG 17 - HA3 GLY 18 lone 10 73 85 16 4.6-5.7 4.0/5496=9, 4.0/4150=7 H ARG 17 - HA2 GLY 18 lone 7 73 60 16 4.5-6.1 4.0/5496=9, 4.0/4150=7 H GLY 21 - HA3 GLY 18 far 0 92 0 - 7.0-10.0 H GLY 18 - HA2 GLY 21 far 0 65 0 - 7.0-12.6 H GLY 21 - HA2 GLY 18 far 0 92 0 - 7.0-10.3 H GLY 18 - HA3 GLY 21 far 0 67 0 - 8.3-12.0 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 = 0.70: QG2 THR 37 + HB3 ASP 24 OK 70 93 85 89 2.6-6.7 4276/1.8=48, 4276=40...(7) Violated in 8 structures by 0.31 A. Peak 4836 from cnoeabs.peaks (1.77, 3.96, 54.22 ppm; 4.83 A): 1 out of 9 assignments used, quality = 1.00: HB ILE 33 + HA ALA 28 OK 100 100 100 100 2.9-4.5 4219/2.1=93, 4229=78...(14) HB2 LYS 32 - HA ALA 28 far 0 100 0 - 6.8-7.7 HG3 ARG 26 - HA ALA 28 far 0 73 0 - 7.1-9.4 HB3 LYS 32 - HA ALA 28 far 0 100 0 - 7.2-8.5 HG3 ARG 71 - HA ALA 28 far 0 81 0 - 8.6-13.0 HB3 ARG 17 - HA ALA 28 far 0 60 0 - 8.9-20.9 HG2 PRO 34 - HA ALA 28 far 0 95 0 - 9.2-9.9 HB3 LYS 39 - HA ALA 28 far 0 97 0 - 9.4-13.6 HB2 PRO 34 - HA ALA 28 far 0 99 0 - 9.6-10.8 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 poor 14 96 25 57 4.8-7.1 4277/6128=53...(3) HB ILE 68 - QB ALA 28 far 10 100 10 - 4.6-6.5 HB2 GLU 19 - QB ALA 28 far 9 89 10 - 4.6-12.6 HB2 ARG 26 - QB ALA 28 far 0 95 0 - 5.8-6.4 HB3 ARG 26 - QB ALA 28 far 0 96 0 - 6.0-6.8 HB3 PRO 34 - QB ALA 28 far 0 85 0 - 7.8-9.0 HB3 PRO 14 - QB ALA 28 far 0 99 0 - 9.7-19.8 Violated in 16 structures by 0.31 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 4.4-4.9 4182/2.1=96, 5525/78=92...(13) H ASN 42 - QB ALA 28 far 0 99 0 - 8.7-10.2 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 4 assignments used, quality = 1.00: QB ALA 28 + QD2 LEU 29 OK 100 100 100 100 2.2-4.7 78/550=72, 6128/4840=61...(17) QB ALA 16 - QD2 LEU 29 far 12 78 15 - 3.7-13.5 HG3 LYS 32 - QD2 LEU 29 far 0 98 0 - 6.7-9.4 HB2 LEU 52 - QD2 LEU 86 far 0 87 0 - 9.0-38.2 Violated in 5 structures by 0.01 A. Peak 4840 from cnoeabs.peaks (1.16, 0.84, 23.57 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.59: QG2 THR 37 + QD2 LEU 29 OK 59 99 70 85 3.3-6.6 6128/4839=56...(8) HG12 ILE 89 - QD2 LEU 86 far 3 64 5 - 4.6-12.5 QG2 THR 15 - QD2 LEU 29 far 3 63 5 - 5.2-15.4 QG2 THR 88 - QD2 LEU 86 lone 1 72 45 2 2.5-7.4 Violated in 17 structures by 0.66 A. Peak 4842 from cnoeabs.peaks (1.68, 4.13, 53.99 ppm; 4.70 A): 1 out of 5 assignments used, quality = 0.99: HG LEU 29 + HA ALA 30 OK 99 99 100 100 3.6-5.3 83/3.0=78, 2.1/4188=61...(17) HB3 LYS 13 - HA ALA 30 far 0 100 0 - 7.2-26.4 HB3 LEU 64 - HA ALA 30 far 0 92 0 - 9.4-10.8 HB3 GLN 61 - HA ALA 30 far 0 76 0 - 9.7-12.3 HD3 LYS 13 - HA ALA 30 far 0 89 0 - 9.8-26.3 Violated in 5 structures by 0.06 A. Peak 4843 from cnoeabs.peaks (1.74, 1.45, 18.15 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.73: HB2 LEU 29 + QB ALA 30 OK 73 73 100 100 3.9-5.0 4.6/553=59, ~82=50...(24) HG3 ARG 26 - QB ALA 30 far 5 99 5 - 4.5-7.5 HB ILE 33 - QB ALA 30 far 0 63 0 - 6.7-8.7 HB3 ARG 17 - QB ALA 30 far 0 100 0 - 7.3-18.9 Violated in 11 structures by 0.15 A. Peak 4845 from cnoeabs.peaks (0.84, 2.07, 32.66 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 64 + HB3 MET 31 OK 100 100 100 100 2.3-3.0 6121/1.8=93, 4198/3.0=72...(16) QD2 LEU 29 - HB3 MET 31 far 0 100 0 - 6.0-8.3 QD1 LEU 43 - HB3 PRO 44 far 0 42 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (0.71, 2.07, 32.66 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HB3 MET 31 OK 100 100 100 100 2.2-3.5 6120/1.8=80...(15) QD2 LEU 57 + HB3 MET 31 OK 45 100 65 69 5.0-6.5 4988/5910=40...(4) 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 4.0-5.3 6122/4198=81...(14) QD2 LEU 57 - HG2 MET 31 far 0 100 0 - 6.8-8.2 Violated in 3 structures by 0.02 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 3.5-5.1 4847/1.8=82...(18) QD2 LEU 57 - HG3 MET 31 far 0 100 0 - 6.7-8.5 Violated in 1 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 4.0-4.5 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 4.9-5.1 4.8=100 HD3 PRO 36 - HB ILE 33 far 0 63 0 - 6.7-7.2 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 2.4-2.9 4215/1682=71...(15) 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 4.1-4.3 2.3/4217=98, 2.3/4216=97...(14) QD1 ILE 40 - HA ILE 33 poor 20 100 20 - 5.6-7.2 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 1.9-3.2 6122/2.1=82, 5029/1.8=47...(17) QG1 VAL 41 - HG2 ARG 69 poor 14 31 45 - 3.5-6.3 QG2 ILE 68 - HG2 ARG 69 poor 10 51 20 - 4.4-6.7 QG2 ILE 68 - HG13 ILE 33 far 0 90 0 - 5.3-7.2 QD2 LEU 29 - HG13 ILE 33 far 0 83 0 - 5.5-8.2 QD1 LEU 43 - HG2 ARG 69 far 0 62 0 - 6.3-10.1 QD2 LEU 64 - HG2 ARG 69 far 0 46 0 - 8.5-11.3 QD1 LEU 43 - HG13 ILE 33 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (3.94, 0.31, 17.04 ppm; 4.19 A): 2 out of 7 assignments used, quality = 0.99: HA THR 37 + QG2 ILE 33 OK 91 100 100 91 4.1-4.7 4313/4300=58, 5597=44...(6) HA ALA 28 + QG2 ILE 33 OK 85 85 100 100 3.6-4.9 2.1/5195=70, 4229/2.1=65...(11) HA GLN 61 - QG2 ILE 33 far 0 68 0 - 5.4-6.1 HA LEU 62 - QG2 ILE 33 far 0 92 0 - 5.9-6.9 HA3 GLY 18 - QG2 ILE 33 far 0 97 0 - 6.1-16.5 HA2 GLY 18 - QG2 ILE 33 far 0 97 0 - 6.3-17.0 HA2 GLY 72 - QG2 ILE 33 far 0 73 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 4857 from cnoeabs.peaks (6.84, 3.54, 50.48 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.99: HE22 GLN 61 + HD3 PRO 34 OK 97 97 100 100 1.9-4.2 4655=97, 5763/4217=80...(13) QE TYR 55 + HD3 PRO 34 OK 65 68 95 100 5.7-7.1 ~4246=69, ~5565=66...(17) QE TYR 55 - HD3 PRO 36 poor 17 25 95 74 5.3-6.8 6080/4.8=55...(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 2.7-4.9 4655/1.8=96...(11) QE TYR 55 + HD2 PRO 34 OK 68 68 100 100 5.3-6.4 ~4246=73, ~5565=70...(17) 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 2.5-4.8 2.5/4246=80, 1.8/4863=62...(21) Violated in 0 structures by 0.00 A. Peak 4860 from cnoeabs.peaks (0.69, 1.76, 26.58 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 33 + HG2 PRO 34 OK 82 87 95 99 4.7-5.2 4851/2.3=62, 4226/2.3=54...(17) QD2 LEU 57 + HG2 PRO 34 OK 78 78 100 100 2.0-3.0 4603/2.3=58, 4605/2.3=53...(19) 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 92 100 100 92 2.9-4.1 4221=49, 3.2/4614=24...(16) 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 3 assignments used, quality = 0.92: HA ILE 33 + HG2 PRO 34 OK 92 92 100 100 4.3-4.3 4217/2.3=89, 4216/2.3=88...(17) HA LEU 51 - HG2 PRO 34 far 0 97 0 - 8.0-9.7 HA LEU 62 - HG2 PRO 34 far 0 83 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 4863 from cnoeabs.peaks (2.94, 1.76, 26.58 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 55 + HG2 PRO 34 OK 100 100 100 100 2.2-3.4 1.8/4859=79, 2.5/4246=79...(20) HB3 PHE 35 + HG2 PRO 34 OK 33 60 55 100 5.9-6.0 2.6/4242=78, ~4243=61...(18) HE2 LYS 32 - HG2 PRO 34 far 0 93 0 - 7.3-12.0 HE3 LYS 32 - HG2 PRO 34 far 0 92 0 - 7.6-11.5 Violated in 0 structures by 0.00 A. Peak 4864 from cnoeabs.peaks (6.83, 1.78, 30.55 ppm; 4.40 A): 4 out of 7 assignments used, quality = 0.99: QE TYR 55 + HB2 PRO 34 OK 90 90 100 100 2.0-4.7 4667/1.8=67, 4664/2.3=63...(18) HE22 GLN 61 + HB2 LYS 32 OK 53 65 90 91 2.3-5.5 1.7/4667=30, 4670=28...(12) HE22 GLN 61 + HB3 LYS 32 OK 47 65 80 91 3.7-6.9 4670/1.8=30, 4671/2.9=26...(11) QE TYR 55 + HB2 ARG 54 OK 41 41 100 100 2.8-3.7 4644/1.8=81, ~4634=60...(20) HE22 GLN 61 - HB2 PRO 34 far 0 100 0 - 5.7-8.1 QE TYR 55 - HB3 LYS 32 far 0 53 0 - 9.5-11.4 QE TYR 55 - HB2 LYS 32 far 0 53 0 - 9.5-11.7 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 3.5-5.1 4530/2.6=80, 2.1/5353=79...(16) Violated in 3 structures by 0.01 A. Peak 4866 from cnoeabs.peaks (3.69, 2.88, 38.68 ppm; 4.17 A): 1 out of 6 assignments used, quality = 1.00: HA VAL 45 + HB3 PHE 48 OK 100 100 100 100 2.4-4.5 4407/1.8=86, 4418/2.5=62...(17) HD3 PRO 44 - HB3 PHE 48 far 4 76 5 - 5.0-7.1 HD2 PRO 56 - HB3 PHE 35 far 0 61 0 - 6.9-8.7 HD3 PRO 56 - HB3 PHE 35 far 0 61 0 - 8.2-10.0 HD2 PRO 56 - HB2 PHE 35 far 0 55 0 - 8.4-10.2 HD3 PRO 56 - HB2 PHE 35 far 0 55 0 - 9.8-11.6 Violated in 5 structures by 0.06 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 2.8-3.5 4881/1.8=75, 4.0/4877=66...(14) 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 2.5-3.1 4867/2.3=69, 4881/2.3=63...(16) H LYS 39 + HG3 PRO 36 OK 91 92 100 99 4.0-4.5 4867/2.3=69, 4881/2.3=63...(13) Violated in 0 structures by 0.00 A. Peak 4869 from cnoeabs.peaks (1.56, 2.10, 27.61 ppm; 3.99 A): 6 out of 9 assignments used, quality = 1.00: HG2 LYS 39 + HG2 PRO 36 OK 95 95 100 100 2.5-4.1 1.8/4870=58, 5208/2.3=41...(31) HG2 LYS 39 + HG3 PRO 36 OK 76 96 80 100 4.1-5.7 ~4870=43, ~4894=43...(29) HD3 LYS 39 + HG3 PRO 36 OK 66 78 85 99 3.0-6.7 ~4870=33, ~4894=33...(29) HD3 LYS 39 + HG2 PRO 36 OK 66 78 85 100 2.0-5.1 3.0/4870=48, 3.0/5114=38...(29) HD2 LYS 39 + HG2 PRO 36 OK 64 76 85 99 3.0-5.2 3.0/4870=48, 3.0/5114=38...(28) HD2 LYS 39 + HG3 PRO 36 OK 45 76 60 99 4.2-6.7 ~4870=33, ~4894=33...(28) HB3 ARG 54 - HG3 PRO 56 far 0 67 0 - 8.5-9.2 HB3 LEU 29 - HG3 PRO 36 far 0 83 0 - 8.8-13.3 HB3 LEU 29 - HG2 PRO 36 far 0 83 0 - 9.4-13.4 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 9 assignments used, quality = 1.00: HG3 LYS 39 + HG2 PRO 36 OK 100 100 100 100 2.4-4.7 4894=98, 5207/2.3=49...(28) HG3 LYS 39 - HG3 PRO 36 far 15 100 15 - 3.6-6.1 QB ALA 20 - HG2 PRO 36 far 0 68 0 - 5.9-16.8 QB ALA 20 - HG3 PRO 36 far 0 68 0 - 5.9-16.6 QB ALA 53 - HG3 PRO 56 far 0 68 0 - 8.9-9.8 HG2 LYS 13 - HG2 PRO 36 far 0 83 0 - 9.2-28.6 HG2 LYS 13 - HG3 PRO 36 far 0 83 0 - 9.3-27.1 QB ALA 78 - HG3 PRO 36 far 0 90 0 - 9.6-26.7 QB ALA 78 - HG2 PRO 36 far 0 90 0 - 9.8-25.4 Violated in 1 structures by 0.00 A. Peak 4871 from cnoeabs.peaks (1.81, 2.10, 27.61 ppm; 4.41 A): 2 out of 9 assignments used, quality = 0.88: HB3 LYS 39 + HG2 PRO 36 OK 71 71 100 100 2.1-4.6 4877/2.3=67, 2.9/4870=59...(24) HB3 LYS 39 + HG3 PRO 36 OK 60 71 85 100 3.5-6.2 4877/2.3=67, ~4870=42...(23) HB2 PRO 34 - HG3 PRO 56 poor 8 39 20 - 4.6-7.4 HB2 LYS 13 - HG3 PRO 36 far 0 87 0 - 7.5-26.9 HB2 LYS 13 - HG2 PRO 36 far 0 87 0 - 7.9-27.6 HB2 PRO 34 - HG2 PRO 36 far 0 63 0 - 9.2-10.4 HB2 PRO 34 - HG3 PRO 36 far 0 63 0 - 9.4-10.5 HB2 LYS 83 - HG3 PRO 36 far 0 68 0 - 9.4-44.5 HB ILE 89 - HG3 PRO 56 far 0 61 0 - 9.8-59.8 Violated in 1 structures by 0.00 A. Peak 4872 from cnoeabs.peaks (2.87, 2.10, 27.61 ppm; 4.73 A): 2 out of 3 assignments used, quality = 0.97: HB2 PHE 35 + HG3 PRO 36 OK 83 83 100 100 4.6-4.7 4874/2.3=92, 4260/2.3=75...(24) HB2 PHE 35 + HG2 PRO 36 OK 83 83 100 100 3.7-3.8 4874/2.3=92, 4260/2.3=75...(25) HB3 PHE 48 - HG2 PRO 36 far 0 98 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 4873 from cnoeabs.peaks (2.96, 2.10, 27.61 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.99: HE2 LYS 39 + HG2 PRO 36 OK 91 96 95 99 3.1-5.5 5114=66, 3.6/4870=54...(18) HE3 LYS 39 + HG2 PRO 36 OK 79 94 85 99 4.1-5.5 1.8/5114=58, 3.6/4870=54...(18) HB3 TYR 55 + HG3 PRO 56 OK 40 41 100 96 4.3-4.6 ~5292=39, 3.0/5293=29...(11) HE2 LYS 39 - HG3 PRO 36 poor 19 97 20 - 3.3-6.3 HE3 LYS 39 - HG3 PRO 36 poor 19 95 20 - 4.6-6.9 HB3 TYR 81 - HG3 PRO 36 far 0 95 0 - 6.8-38.3 HB3 TYR 81 - HG2 PRO 36 far 0 94 0 - 7.1-36.6 HE3 LYS 32 - HG3 PRO 56 far 0 67 0 - 8.3-13.5 HE2 LYS 32 - HG3 PRO 56 far 0 65 0 - 8.4-14.2 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...(22) HB2 PHE 35 - HD3 PRO 34 far 0 36 0 - 7.5-7.5 Violated in 0 structures by 0.00 A. Peak 4875 from cnoeabs.peaks (1.56, 2.12, 32.41 ppm; 5.36 A): 3 out of 4 assignments used, quality = 0.99: HG2 LYS 39 + HB2 PRO 36 OK 96 96 100 100 4.0-6.1 2.9/4877=87, 1.8/4876=71...(25) HD3 LYS 39 + HB2 PRO 36 OK 67 78 85 100 3.9-6.9 3.5/4877=79, 3.0/4876=62...(24) HD2 LYS 39 + HB2 PRO 36 OK 57 76 75 100 5.1-7.4 3.5/4877=79, 3.0/4876=62...(23) HB3 LEU 29 - HB2 PRO 36 far 0 83 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 4876 from cnoeabs.peaks (1.40, 2.12, 32.41 ppm; 5.81 A): 1 out of 4 assignments used, quality = 0.94: HG3 LYS 39 + HB2 PRO 36 OK 94 99 95 100 4.5-6.8 4870/2.3=94, 2.9/4877=93...(22) QB ALA 20 - HB2 PRO 36 far 12 81 15 - 3.8-15.0 QB ALA 78 - HB2 PRO 36 far 0 97 0 - 8.2-25.5 QB ALA 77 - HB2 PRO 36 far 0 76 0 - 9.3-23.8 Violated in 13 structures by 0.21 A. Peak 4877 from cnoeabs.peaks (1.80, 2.12, 32.41 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.23: HB3 LYS 39 + HB2 PRO 36 OK 23 93 25 100 4.1-6.2 4.0/4867=41, 2.9/4876=38...(22) HB ILE 33 - HB2 PRO 36 far 0 63 0 - 7.3-7.8 HB2 LYS 13 - HB2 PRO 36 far 0 99 0 - 9.8-26.2 Violated in 18 structures by 1.02 A. Peak 4879 from cnoeabs.peaks (8.69, 2.09, 27.61 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: H ASP 38 + HG2 PRO 36 OK 99 99 100 100 3.6-4.8 4291/2.3=90, 6126/2.3=81...(9) H ASP 38 + HG3 PRO 36 OK 99 99 100 100 4.7-5.6 4291/2.3=90, 6126/2.3=81...(8) 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 4.1-4.5 4291=99, 6126/1.8=84...(7) 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 99 4.5-4.9 4867/1.8=79, 913/4291=75...(7) Violated in 0 structures by 0.00 A. Peak 4882 from cnoeabs.peaks (0.92, 4.22, 68.34 ppm; 4.48 A): 3 out of 3 assignments used, quality = 1.00: HG12 ILE 68 + HB THR 37 OK 99 100 100 99 3.0-5.1 3.2/4763=67, 2.1/4283=44...(15) QG2 VAL 41 + HB THR 37 OK 25 95 30 88 3.6-6.7 5598/121=45, 4885/2.1=40...(8) QG2 ILE 40 + HB THR 37 OK 25 99 25 100 4.9-6.2 4310/3.0=68, 3.0/4282=65...(16) Violated in 0 structures by 0.00 A. Peak 4884 from cnoeabs.peaks (2.11, 4.22, 68.34 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.98: HB ILE 40 + HB THR 37 OK 90 90 100 100 4.2-5.8 4271/3.0=82, 3.2/4282=73...(17) HB2 PRO 36 + HB THR 37 OK 74 89 90 93 5.1-6.1 6126/121=55, ~4274=54...(4) HG2 PRO 36 - HB THR 37 far 0 93 0 - 6.7-7.3 HG3 PRO 36 - HB THR 37 far 0 96 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 4885 from cnoeabs.peaks (0.92, 1.17, 22.48 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.79: HG12 ILE 68 + QG2 THR 37 OK 54 100 55 98 3.5-5.7 3.2/4754=64, 4882/2.1=42...(15) QG2 VAL 41 + QG2 THR 37 OK 54 87 90 69 3.6-5.4 5598/4.1=34...(5) QG2 ILE 40 - QG2 THR 37 far 0 95 0 - 5.4-6.1 QG2 VAL 76 - QG2 THR 37 far 0 100 0 - 7.7-16.6 QD2 LEU 43 - QG2 THR 37 far 0 63 0 - 8.3-9.5 QG1 VAL 76 - QG2 THR 37 far 0 100 0 - 8.8-15.3 HG LEU 51 - QG2 THR 37 far 0 71 0 - 8.9-11.1 QD2 LEU 62 - QG2 THR 37 far 0 95 0 - 10.0-12.2 Violated in 9 structures by 0.05 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 4.3-4.3 112/3.0=82, 4290/3.6=70...(4) 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 3.4-4.1 4357=72, 1.7/4356=65...(12) QE PHE 35 - HA ASP 38 far 0 99 0 - 8.0-8.7 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 2.5-4.2 4337=90, 2.1/5355=78...(11) QG2 ILE 40 - HA ASP 38 far 0 100 0 - 5.6-6.4 HG12 ILE 68 - HA ASP 38 far 0 99 0 - 6.8-9.2 QG2 VAL 76 - HA ASP 38 far 0 99 0 - 7.0-17.9 QD2 LEU 43 - HA ASP 38 far 0 89 0 - 7.0-8.6 QD1 LEU 64 - HA ASP 38 far 0 65 0 - 8.2-10.8 QG1 VAL 76 - HA ASP 38 far 0 99 0 - 8.7-16.6 Violated in 1 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 4.4-5.5 2.1/5355=92, 2.1/4890=88...(9) QG2 ILE 68 + HA ASP 38 OK 60 100 100 60 4.2-5.4 1982/4890=32...(4) QD1 ILE 68 - HA ASP 38 far 0 76 0 - 6.1-7.6 QD1 LEU 43 - HA ASP 38 far 0 68 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (2.09, 1.55, 25.35 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: HG2 PRO 36 + HG2 LYS 39 OK 100 100 100 100 2.5-4.1 4870/1.8=73, 2.3/5208=56...(32) HG3 PRO 36 + HG2 LYS 39 OK 90 100 90 100 4.1-5.7 2.3/5208=56, ~4870=54...(30) 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 2.4-4.7 4870=100, 2.3/4876=49...(28) HG3 PRO 36 - HG3 LYS 39 far 15 100 15 - 3.6-6.1 HB3 PRO 44 - HG3 LYS 39 far 0 100 0 - 9.9-12.7 Violated in 1 structures by 0.00 A. Peak 4895 from cnoeabs.peaks (2.11, 1.85, 32.41 ppm; 4.58 A): 3 out of 4 assignments used, quality = 1.00: HG3 PRO 36 + HB2 LYS 39 OK 96 96 100 100 3.3-4.5 ~4877=55, 2.3/5104=55...(22) HG2 PRO 36 + HB2 LYS 39 OK 93 93 100 100 1.9-2.9 4870/2.9=61, ~4877=55...(24) HB2 PRO 36 + HB2 LYS 39 OK 89 89 100 100 3.4-4.5 4877/1.8=75, 3.0/5104=50...(20) HB ILE 40 - HB2 LYS 39 far 0 90 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 4896 from cnoeabs.peaks (0.94, 1.40, 25.35 ppm; 4.79 A): 2 out of 5 assignments used, quality = 0.96: QD2 LEU 43 + HG3 LYS 39 OK 90 100 90 100 3.1-6.1 2.1/5206=76, 5116/3.6=64...(14) QG2 ILE 40 + HG3 LYS 39 OK 65 95 85 81 4.3-7.6 4.0/6077=42...(8) QG2 VAL 41 - HG3 LYS 39 far 5 99 5 - 5.6-8.2 HG12 ILE 68 - HG3 LYS 39 far 0 78 0 - 8.7-12.2 QD1 LEU 64 - HG3 LYS 39 far 0 96 0 - 9.1-12.7 Violated in 1 structures by 0.00 A. Peak 4897 from cnoeabs.peaks (3.94, 1.23, 28.19 ppm; 5.29 A): 1 out of 7 assignments used, quality = 1.00: HA THR 37 + HG13 ILE 40 OK 100 100 100 100 1.9-4.3 4279/2.1=100...(21) HA LEU 62 - HG13 ILE 40 far 0 93 0 - 7.2-10.1 HA ALA 28 - HG13 ILE 40 far 0 83 0 - 7.3-9.1 HA2 GLY 72 - HG13 ILE 40 far 0 71 0 - 7.9-9.7 HA2 GLY 18 - HG13 ILE 40 far 0 97 0 - 9.1-18.3 HA GLN 61 - HG13 ILE 40 far 0 65 0 - 9.5-11.3 HA3 GLY 18 - HG13 ILE 40 far 0 98 0 - 9.9-19.0 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 3.2-4.9 5249/2.1=99, 4753/2.9=84...(24) QD1 ILE 68 + HG13 ILE 40 OK 65 65 100 100 3.5-5.3 5247/2.1=65, ~5249=64...(20) QD1 LEU 43 + HG13 ILE 40 OK 62 78 100 79 4.3-5.3 4296/4.0=38, 4295/606=33...(5) QG1 VAL 41 - HG13 ILE 40 far 0 96 0 - 6.6-7.4 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 2 assignments used, quality = 0.99: H VAL 41 + QD1 ILE 40 OK 99 99 100 100 4.3-4.7 143=99, 139/3.2=90...(12) HD21 ASN 42 - QD1 ILE 40 far 0 99 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 4901 from cnoeabs.peaks (7.96, 1.03, 14.28 ppm; 5.71 A): 3 out of 7 assignments used, quality = 0.92: H ARG 69 + QD1 ILE 40 OK 73 73 100 100 3.7-5.0 4.1/5249=89...(14) H ASP 67 + QD1 ILE 40 OK 58 63 100 93 4.9-6.4 4.6/5622=56...(10) H ARG 70 + QD1 ILE 40 OK 23 99 25 94 5.9-7.2 5831/5249=57...(6) H LEU 29 - QD1 ILE 40 far 0 99 0 - 6.7-8.6 H ALA 63 - QD1 ILE 40 far 0 85 0 - 7.6-8.5 H LYS 32 - QD1 ILE 40 far 0 87 0 - 8.2-9.9 H ALA 30 - QD1 ILE 40 far 0 73 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 4903 from cnoeabs.peaks (1.26, 0.80, 21.38 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.52: HG2 ARG 69 + QG1 VAL 41 OK 52 87 60 99 3.5-6.3 5254/3.2=47, ~5253=41...(19) HG13 ILE 40 - QG1 VAL 41 far 0 65 0 - 6.6-7.4 QG1 VAL 65 - QG1 VAL 41 far 0 68 0 - 6.7-8.2 Violated in 13 structures by 0.64 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 2.0-4.5 5256=75, 1.8/5258=61...(14) Violated in 1 structures by 0.01 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 2.2-3.3 1.8/4389=70, 4446=69...(20) HB2 ASP 46 - QD2 LEU 43 far 0 76 0 - 6.6-7.4 HB3 ASN 49 - QD2 LEU 43 far 0 100 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 4909 from cnoeabs.peaks (2.98, 0.94, 22.80 ppm; 4.74 A): 2 out of 5 assignments used, quality = 0.96: HE3 LYS 39 + QD2 LEU 43 OK 94 99 95 100 3.7-5.9 5116=94, 3.0/5213=62...(13) HE2 LYS 39 + QD2 LEU 43 OK 34 99 35 100 2.4-6.1 1.8/5116=87, 3.0/5213=62...(13) HE3 LYS 13 - QD2 LEU 43 far 0 85 0 - 7.4-29.2 HE2 LYS 13 - QD2 LEU 43 far 0 87 0 - 8.4-29.6 HB3 TYR 81 - QD2 LEU 43 far 0 99 0 - 8.7-26.6 Violated in 3 structures by 0.03 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 2.2-4.5 4442=100, 1.8/4380=81...(19) HB3 ASN 49 - HB3 LEU 43 far 0 95 0 - 8.6-9.5 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 3.3-5.4 3.0/4468=86, 2.5/4370=85...(20) HB3 PHE 35 - QD1 LEU 43 poor 20 93 30 70 5.3-6.2 4865/4520=54...(6) HB2 ASN 49 - QD1 LEU 43 far 0 100 0 - 7.2-8.0 Violated in 5 structures by 0.10 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 3.0-4.9 4447=93, 4446/2.1=81...(18) HB3 ASN 49 - QD1 LEU 43 far 0 87 0 - 7.9-8.8 Violated in 9 structures by 0.08 A. Peak 4916 from cnoeabs.peaks (0.17, 0.94, 22.80 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.88: QD2 LEU 51 + QD2 LEU 43 OK 88 89 100 99 4.1-5.1 4917/2.1=90, 5641/2.1=47...(12) Violated in 10 structures by 0.16 A. Peak 4917 from cnoeabs.peaks (0.18, 0.83, 26.57 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 51 + QD1 LEU 43 OK 95 96 100 99 1.9-3.0 4520=78, 4916/2.1=46...(20) 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 4.4-5.2 637/4907=81, 638/4389=81...(14) H ILE 40 - QD2 LEU 43 far 0 92 0 - 6.0-6.5 HE ARG 54 - QD2 LEU 43 far 0 99 0 - 6.5-10.0 Violated in 1 structures by 0.01 A. Peak 4919 from cnoeabs.peaks (7.08, 0.94, 22.80 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.78: QD PHE 48 + QD2 LEU 43 OK 78 98 80 100 5.3-6.2 4370/2.1=89, 644/4460=64...(17) QD TYR 81 - QD2 LEU 43 far 0 100 0 - 6.6-24.4 Violated in 20 structures by 0.70 A. Peak 4921 from cnoeabs.peaks (7.07, 1.72, 42.41 ppm; 5.26 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 48 + HB2 LEU 43 OK 100 100 100 100 3.6-4.3 2.5/4475=85, 4370/3.1=84...(15) QD TYR 81 - HB2 LEU 43 far 0 96 0 - 8.3-26.0 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 4.0-4.9 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 1 assignment used, quality = 0.93: HB2 LEU 43 + HD2 PRO 44 OK 93 93 100 100 3.7-5.0 4.8=100 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 2 assignments used, quality = 1.00: H ASP 47 + HA VAL 45 OK 100 100 100 100 4.3-5.1 919/3.5=96, 171/4451=91...(12) HE ARG 54 - HA VAL 45 far 0 100 0 - 9.5-15.3 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 2 assignments used, quality = 1.00: HG2 GLU 50 + HA ASP 47 OK 100 100 100 100 3.5-6.0 4511=100, 655/4506=89...(9) HG3 MET 11 - HA ASP 47 far 0 85 0 - 8.7-43.2 Violated in 2 structures by 0.00 A. Peak 4935 from cnoeabs.peaks (0.83, 3.13, 38.68 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + HB2 PHE 48 OK 100 100 100 100 4.1-5.4 4468/3.0=91, 4370/2.5=91...(20) QG2 ILE 68 - HB2 PHE 48 far 0 81 0 - 7.6-9.4 Violated in 3 structures by 0.01 A. Peak 4936 from cnoeabs.peaks (2.05, 3.13, 38.68 ppm; 5.88 A): 5 out of 6 assignments used, quality = 1.00: HG2 PRO 44 + HB2 PHE 48 OK 86 100 100 86 5.1-5.7 6063/4428=74...(3) HB VAL 45 + HB2 PHE 48 OK 85 85 100 100 5.1-6.3 3.0/4455=95, 2.1/4409=95...(13) HD2 ARG 69 + HB2 PHE 48 OK 72 90 95 84 3.0-7.4 5823/2.5=44, ~5823=35...(5) HD3 ARG 69 + HB2 PHE 48 OK 64 90 85 84 3.7-7.8 5823/2.5=40, ~5823=39...(5) HB2 GLU 50 + HB2 PHE 48 OK 28 99 30 93 6.5-7.0 4480/177=86, 4457/641=39 HB3 GLU 50 - HB2 PHE 48 far 0 99 0 - 8.1-8.6 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 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 4938 from cnoeabs.peaks (1.39, 2.37, 36.01 ppm; 5.44 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 53 + HG2 GLU 50 OK 99 100 100 99 3.6-5.7 4962/3.7=91, 5699/3.0=76...(6) HG2 LYS 85 - HG2 GLU 50 far 0 97 0 - 8.6-49.5 QB ALA 53 - HG2 GLU 59 far 0 62 0 - 9.0-12.9 Violated in 6 structures by 0.04 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 3.2-3.8 4687=96, 5082/5079=50...(12) H LEU 52 + HA GLU 50 OK 92 98 100 94 3.7-4.4 924/3.6=64, 200/4549=62...(4) Violated in 0 structures by 0.00 A. Peak 4942 from cnoeabs.peaks (7.54, 2.37, 36.01 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.98: H LEU 51 + HG2 GLU 50 OK 97 97 100 100 5.0-5.3 192/1.8=88, 923/655=82...(8) H ARG 54 + HG2 GLU 50 OK 30 97 40 78 5.6-7.3 3.6/4938=57, 3851/3.7=33...(4) Violated in 0 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 4.9-5.3 923/3.0=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 3.2-4.0 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 2 assignments used, quality = 0.89: H TYR 55 + QD1 LEU 51 OK 89 95 95 100 3.9-6.2 4627/4531=65...(9) H GLN 61 - QD1 LEU 51 far 0 100 0 - 9.9-12.4 Violated in 3 structures by 0.10 A. Peak 4948 from cnoeabs.peaks (2.98, 0.19, 24.73 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 51 OK 98 98 100 100 2.1-5.8 3.6/6087=58, 4.7/5205=55...(13) HE3 LYS 39 + QD2 LEU 51 OK 94 99 95 100 1.9-6.2 3.6/6087=58...(12) HE3 LYS 13 - QD2 LEU 51 far 0 83 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 4949 from cnoeabs.peaks (2.05, 0.62, 23.89 ppm; 5.48 A): 2 out of 8 assignments used, quality = 0.98: HB3 GLU 50 + QD1 LEU 51 OK 88 97 100 91 4.9-6.1 4.7/663=68, 5679/2245=36...(6) HB2 GLU 50 + QD1 LEU 51 OK 86 97 100 88 4.6-6.1 4.7/663=68, 5679/2245=36...(4) HG2 PRO 44 - QD1 LEU 51 far 0 100 0 - 7.2-8.6 HD2 ARG 69 - QD1 LEU 51 far 0 83 0 - 7.2-10.5 HG2 PRO 56 - QD1 LEU 51 far 0 95 0 - 7.4-10.7 HD3 ARG 69 - QD1 LEU 51 far 0 83 0 - 7.7-11.6 HB3 PRO 56 - QD1 LEU 51 far 0 85 0 - 8.7-11.4 HB3 MET 31 - QD1 LEU 51 far 0 83 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4950 from cnoeabs.peaks (2.03, 1.32, 41.26 ppm; 5.53 A): 3 out of 14 assignments used, quality = 1.00: HB2 GLU 50 + HB2 LEU 51 OK 98 99 100 98 4.4-5.9 4.7/2216=79, 3.9/5676=50...(8) HB3 GLU 50 + HB2 LEU 51 OK 98 99 100 98 5.0-6.2 4.7/2216=79, 3.9/5676=50...(8) HG2 ARG 66 + HB2 LEU 52 OK 21 39 75 71 5.3-11.4 ~5970=51, ~4555=20...(4) HG2 PRO 44 - HB2 LEU 51 far 0 93 0 - 7.0-9.5 HD2 ARG 69 - HB2 LEU 51 far 0 100 0 - 7.4-11.5 HD3 ARG 69 - HB2 LEU 51 far 0 100 0 - 8.0-12.4 HB3 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.2-8.7 HB2 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.3-8.7 HD3 ARG 69 - HB2 LEU 52 far 0 60 0 - 8.7-11.8 HB3 MET 11 - HB2 LEU 51 far 0 65 0 - 8.7-39.7 HD2 ARG 69 - HB2 LEU 52 far 0 60 0 - 8.8-11.7 HB3 PRO 56 - HB2 LEU 52 far 0 61 0 - 8.8-10.9 HG2 PRO 56 - HB2 LEU 52 far 0 60 0 - 9.7-10.4 HG2 ARG 66 - HB2 LEU 51 far 0 76 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 4951 from cnoeabs.peaks (0.91, 1.47, 40.92 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.92: QD2 LEU 62 + HB3 LEU 52 OK 78 78 100 100 2.5-4.5 5004/1.8=76, 4680/3.1=69...(16) HG LEU 51 + HB3 LEU 52 OK 65 90 75 96 4.9-6.9 197/667=69, 4952/3.1=41...(10) QD1 LEU 86 - HB3 LEU 52 far 0 83 0 - 6.8-40.6 QG2 ILE 40 - HB3 LEU 52 far 0 78 0 - 7.1-8.9 Violated in 0 structures by 0.00 A. Peak 4952 from cnoeabs.peaks (0.90, 0.51, 22.90 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.92: QD1 LEU 62 + QD2 LEU 52 OK 74 76 100 98 3.2-4.1 2.1/5237=56, ~4680=33...(19) HG LEU 51 + QD2 LEU 52 OK 69 100 85 81 2.8-4.8 197/670=31, 4564/6096=22...(11) QD1 LEU 86 - QD2 LEU 52 far 0 98 0 - 6.7-31.6 HG12 ILE 68 - QD2 LEU 52 far 0 73 0 - 7.9-9.1 QG1 VAL 76 - QD2 LEU 52 far 0 73 0 - 9.9-15.1 Violated in 2 structures by 0.01 A. Peak 4953 from cnoeabs.peaks (1.60, 0.51, 22.90 ppm; 4.67 A): 2 out of 13 assignments used, quality = 1.00: HB3 LEU 51 + QD2 LEU 52 OK 96 100 100 96 3.3-4.5 196/670=73, 3.0/4952=41...(9) HB3 LEU 62 + QD2 LEU 52 OK 92 97 95 100 3.8-5.7 3.1/5237=78, 3.0/4547=69...(18) HD3 LYS 39 - QD2 LEU 52 far 0 89 0 - 5.8-9.4 HD2 LYS 39 - QD2 LEU 52 far 0 90 0 - 6.5-9.5 HG3 ARG 54 - QD2 LEU 52 far 0 76 0 - 6.9-8.6 HG3 ARG 70 - QD2 LEU 52 far 0 95 0 - 8.3-12.4 HG2 ARG 84 - QD2 LEU 52 far 0 99 0 - 8.8-29.7 HG3 ARG 84 - QD2 LEU 52 far 0 99 0 - 9.0-31.0 HD3 LYS 73 - QD2 LEU 52 far 0 97 0 - 9.1-13.6 HB2 LEU 86 - QD2 LEU 52 far 0 92 0 - 9.2-35.6 HD2 LYS 73 - QD2 LEU 52 far 0 97 0 - 9.4-13.7 HG LEU 86 - QD2 LEU 52 far 0 100 0 - 9.5-37.5 HG2 ARG 71 - QD2 LEU 52 far 0 83 0 - 9.7-11.9 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 9 assignments used, quality = 1.00: HB2 LEU 62 + QD2 LEU 52 OK 100 100 100 100 4.3-5.6 3.1/5237=91, 3.0/4547=84...(19) HB2 LEU 57 + QD2 LEU 52 OK 81 81 100 100 3.8-4.8 3.1/4554=96, 3.1/5751=71...(19) HB2 ARG 54 - QD2 LEU 52 far 8 83 10 - 5.9-6.8 HG2 PRO 34 - QD2 LEU 52 far 5 93 5 - 6.1-8.2 HB2 LEU 43 - QD2 LEU 52 far 0 81 0 - 6.8-7.5 HB ILE 33 - QD2 LEU 52 far 0 76 0 - 7.8-8.9 HB2 ARG 84 - QD2 LEU 52 far 0 85 0 - 8.0-30.9 HG3 ARG 71 - QD2 LEU 52 far 0 99 0 - 9.2-11.6 HB2 LYS 32 - QD2 LEU 52 far 0 63 0 - 9.9-12.7 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 2.0-3.8 2.1/4728=94, 2.1/4726=94...(12) HG2 GLU 59 - QD2 LEU 52 far 0 81 0 - 7.9-10.5 HG2 GLU 50 - QD2 LEU 52 far 0 99 0 - 8.0-9.2 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 5 assignments used, quality = 0.77: HG2 ARG 66 + QD1 LEU 52 OK 77 96 85 94 2.7-7.8 1.8/5970=68...(5) HB3 GLN 79 - QD1 LEU 52 far 0 100 0 - 7.9-25.1 HB2 LEU 64 - QD1 LEU 52 far 0 65 0 - 8.0-9.2 QE MET 31 - QD1 LEU 52 far 0 98 0 - 8.6-9.9 HG LEU 43 - QD1 LEU 52 far 0 97 0 - 8.9-10.3 Violated in 4 structures by 0.30 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 3.9-4.9 4547/2.1=93...(9) HA LEU 51 - QD1 LEU 52 far 7 68 10 - 6.2-6.5 HA THR 37 - QD1 LEU 52 far 0 89 0 - 9.5-10.5 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 14 assignments used, quality = 1.00: HB3 LEU 62 + QD1 LEU 52 OK 100 100 100 100 3.8-5.5 3.1/4680=94, 3.0/4957=74...(17) HB3 LEU 51 + QD1 LEU 52 OK 96 97 100 99 4.7-5.6 196/669=86, 4953/2.1=44...(10) HG LEU 62 + QD1 LEU 52 OK 78 78 100 100 2.8-3.9 2.1/4680=100, ~5237=81...(15) HG2 ARG 84 - QD1 LEU 52 far 0 100 0 - 6.7-30.1 HG3 ARG 84 - QD1 LEU 52 far 0 100 0 - 6.9-30.6 HG3 ARG 54 - QD1 LEU 52 far 0 96 0 - 7.3-9.0 HB3 LEU 86 - QD1 LEU 52 far 0 71 0 - 7.4-37.0 HB2 LEU 86 - QD1 LEU 52 far 0 68 0 - 7.8-36.1 HD3 LYS 39 - QD1 LEU 52 far 0 99 0 - 7.9-11.3 HG3 ARG 70 - QD1 LEU 52 far 0 73 0 - 7.9-12.4 HD2 LYS 39 - QD1 LEU 52 far 0 100 0 - 8.2-11.1 HG LEU 86 - QD1 LEU 52 far 0 97 0 - 8.4-38.0 HD2 LYS 73 - QD1 LEU 52 far 0 78 0 - 8.8-13.8 HD3 LYS 73 - QD1 LEU 52 far 0 78 0 - 9.7-13.9 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 2 assignments used, quality = 1.00: QD PHE 48 + QD1 LEU 52 OK 100 100 100 100 3.1-4.1 2.2/4538=81...(16) QD TYR 81 - QD1 LEU 52 far 0 98 0 - 9.1-19.5 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 7 assignments used, quality = 0.94: HA GLU 50 + QB ALA 53 OK 94 98 100 96 2.4-3.4 4502=74, 4549/673=48...(10) HA VAL 76 - QB ALA 78 far 3 58 5 - 4.1-7.3 HA ARG 70 - QB ALA 78 far 1 29 5 - 3.0-15.1 HA ARG 66 - QB ALA 78 far 0 59 0 - 6.7-18.8 HA2 GLY 72 - QB ALA 78 far 0 55 0 - 7.9-17.3 HA3 GLY 21 - QB ALA 78 far 0 40 0 - 8.7-25.7 HA2 GLY 21 - QB ALA 78 far 0 41 0 - 9.8-26.0 Violated in 2 structures by 0.01 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 3.8-4.1 209/3.0=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 4.3-5.7 4634/3.0=94, 5950/1.8=84...(26) Violated in 1 structures by 0.01 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 4.4-5.3 4644/3.0=89, 2.2/4968=71...(18) Violated in 12 structures by 0.03 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 2.9-3.8 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 2.5-3.8 4.6=100 HD3 PRO 56 + QD TYR 55 OK 100 100 100 100 3.7-4.3 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): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + HB2 TYR 55 OK 100 100 100 100 2.9-3.6 4572=98, 4628/2.5=87...(18) HZ PHE 35 + HB2 TYR 55 OK 100 100 100 100 4.5-5.4 2.2/4572=79, ~4628=56...(15) HZ PHE 48 - HB2 TYR 55 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 4975 from cnoeabs.peaks (6.93, 2.94, 40.22 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 35 + HB3 TYR 55 OK 98 98 100 100 3.0-4.4 4628/2.5=97, 4572/1.8=95...(18) HZ PHE 35 + HB3 TYR 55 OK 88 97 90 100 5.2-6.8 3.8/5716=74, ~4572=72...(16) 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 2.5-3.8 2.2/4629=100, 4658=96...(23) HZ PHE 35 + QD TYR 55 OK 97 97 100 100 4.4-5.8 2.2/4658=98, 3.8/4629=91...(18) HZ PHE 48 - QD TYR 55 far 0 96 0 - 9.3-10.8 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 95 98 100 97 2.2-2.5 3.8=58, 3.0/4580=36...(14) HA TYR 55 + HD3 PRO 56 OK 95 98 100 97 2.3-2.3 3.8=58, 4576/1.8=36...(15) 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 4.2-4.9 6069/3.1=82, 4.3/4982=67...(18) 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 6 assignments used, quality = 0.98: HG LEU 62 + HB2 LEU 57 OK 98 100 100 98 3.2-4.3 4983/1.8=54, ~4599=41...(11) HB3 LEU 62 - HB2 LEU 57 far 0 73 0 - 5.6-6.4 HG LEU 64 - HB2 LEU 57 far 0 73 0 - 8.0-11.0 HB3 ARG 54 - HB2 LEU 57 far 0 90 0 - 8.0-10.0 HG3 ARG 54 - HB2 LEU 57 far 0 96 0 - 8.7-10.4 HD3 LYS 39 - HB2 LEU 57 far 0 87 0 - 9.3-14.3 Violated in 6 structures by 0.05 A. Peak 4983 from cnoeabs.peaks (1.57, 1.47, 44.00 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.99: HG LEU 62 + HB3 LEU 57 OK 99 100 100 99 3.2-4.3 4982/1.8=83, 2.1/4599=63...(9) HB3 LEU 62 + HB3 LEU 57 OK 29 83 35 99 5.0-6.0 3.1/4599=54, ~4982=44...(17) HG LEU 64 - HB3 LEU 57 far 0 63 0 - 6.4-9.5 HB3 ARG 54 - HB3 LEU 57 far 0 83 0 - 9.5-11.0 HD3 LYS 39 - HB3 LEU 57 far 0 93 0 - 9.6-14.3 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 1.9-2.9 1.8/4602=68, 4624/230=48...(22) HG2 ARG 27 - QD2 LEU 57 far 0 90 0 - 8.5-12.0 HG3 ARG 27 - QD2 LEU 57 far 0 92 0 - 8.7-11.7 HG3 ARG 17 - QD2 LEU 57 far 0 63 0 - 9.6-24.1 HG2 ARG 17 - QD2 LEU 57 far 0 60 0 - 9.7-24.4 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 7 assignments used, quality = 0.96: HB2 LEU 52 + QD1 LEU 57 OK 96 97 100 100 2.5-4.1 3.1/4613=75, 3.0/4551=72...(13) HB2 LEU 51 - QD1 LEU 57 far 4 71 5 - 4.3-6.1 QB ALA 28 - QD1 LEU 57 far 0 99 0 - 6.6-7.7 HG3 ARG 69 - QD1 LEU 57 far 0 57 0 - 8.0-11.1 HG3 LYS 32 - QD1 LEU 57 far 0 87 0 - 8.1-11.6 QB ALA 16 - QD1 LEU 57 far 0 95 0 - 8.3-18.5 QB ALA 77 - QD1 LEU 57 far 0 60 0 - 9.4-19.4 Violated in 0 structures by 0.00 A. Peak 4987 from cnoeabs.peaks (1.21, 1.00, 27.02 ppm; 3.52 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + QD1 LEU 57 OK 98 100 100 98 1.9-3.0 4726/4613=41...(20) QG1 VAL 65 + QD1 LEU 57 OK 79 83 100 96 2.8-3.8 2.1/4707=39...(18) HG LEU 52 + QD1 LEU 57 OK 48 89 55 98 3.9-4.9 2.1/4554=61, 3.0/4986=38...(14) HG13 ILE 33 - QD1 LEU 57 far 0 99 0 - 5.1-6.3 HG13 ILE 40 - QD1 LEU 57 far 0 85 0 - 5.2-7.1 HG2 ARG 69 - QD1 LEU 57 far 0 63 0 - 7.5-11.1 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 2.4-4.4 4.6/4985=64, 4.6/4602=60...(16) H LEU 64 - QD2 LEU 57 far 3 60 5 - 5.9-7.2 H LEU 52 - QD2 LEU 57 far 0 85 0 - 6.5-7.5 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 3.8-4.1 2.5/4587=90, 2.5/4604=90...(22) 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 4.9-5.8 218/693=97, 4.8/6132=63 Violated in 6 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 = 0.89: QB ALA 63 + HA SER 60 OK 89 100 100 89 3.2-3.4 4689=56, 726/4690=47...(7) HB3 LEU 57 - HA SER 60 far 0 93 0 - 7.5-7.9 Violated in 5 structures by 0.01 A. Peak 4996 from cnoeabs.peaks (2.10, 3.84, 62.16 ppm; 5.46 A): 3 out of 7 assignments used, quality = 0.93: HB3 GLU 59 + HB2 SER 60 OK 61 99 90 69 4.6-6.9 239/3.8=38, ~4997=32 HB3 GLU 59 + HB3 SER 60 OK 58 99 85 69 4.5-7.2 239/3.8=38, ~4997=32 HB2 GLU 59 + HB2 SER 60 OK 57 99 75 77 4.9-6.8 238/3.8=39, ~4997=29...(4) HB2 GLU 59 - HB3 SER 60 poor 19 99 25 77 5.3-7.0 238/3.8=39, ~4997=29...(4) HB3 MET 31 - HB2 SER 60 poor 15 60 25 - 4.9-9.0 HB3 MET 31 - HB3 SER 60 poor 13 60 50 45 5.1-8.4 4.3/5078=44 HB2 PRO 56 - HB2 SER 60 far 0 97 0 - 9.4-11.9 Violated in 2 structures by 0.02 A. Peak 4997 from cnoeabs.peaks (2.08, 4.28, 61.17 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.88: HB2 GLU 59 + HA SER 60 OK 68 95 100 72 4.7-5.3 238/3.0=35, ~239=26...(6) HB3 GLU 59 + HA SER 60 OK 63 95 90 74 3.9-5.7 238/3.0=34, ~239=26...(6) HB3 MET 31 - HA SER 60 far 0 99 0 - 6.6-9.8 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 2.3-3.4 4721=93, 2.1/4722=73...(11) HG2 GLU 59 - HA LEU 62 far 0 93 0 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 4999 from cnoeabs.peaks (1.22, 3.92, 57.93 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + HA LEU 62 OK 100 100 100 100 1.9-3.7 4722=98, 2.1/4998=62...(16) QG1 VAL 65 + HA LEU 62 OK 91 92 100 99 2.7-4.4 4723=70, 2.1/4722=67...(14) HG LEU 52 - HA LEU 62 far 0 78 0 - 5.6-7.0 HG13 ILE 33 - HA LEU 62 far 0 100 0 - 7.1-8.3 HG13 ILE 40 - HA LEU 62 far 0 93 0 - 7.2-10.1 HG2 ARG 69 - HA LEU 62 far 0 76 0 - 8.5-11.6 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 = 0.91: HB VAL 65 + QD2 LEU 62 OK 87 87 100 100 3.6-5.0 4998/2593=75, ~5006=74...(12) HG2 GLU 59 + QD2 LEU 62 OK 35 63 60 92 4.6-8.1 4.2/5364=74, 4642/2.1=46...(4) HG2 GLU 50 - QD2 LEU 62 far 0 100 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 5002 from cnoeabs.peaks (1.21, 0.93, 24.73 ppm; 3.76 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 65 + QD2 LEU 62 OK 84 100 85 99 4.0-5.1 5006/2.1=62...(17) HG LEU 52 + QD2 LEU 62 OK 75 89 85 99 3.8-5.0 2.1/4680=68, 2.1/5237=68...(15) QG1 VAL 65 + QD2 LEU 62 OK 40 83 50 96 3.0-5.3 4723/2569=40, ~5006=40...(15) HG13 ILE 40 - QD2 LEU 62 far 0 85 0 - 7.5-10.5 HG2 ARG 69 - QD2 LEU 62 far 0 63 0 - 7.7-10.3 HG13 ILE 33 - QD2 LEU 62 far 0 99 0 - 8.9-10.0 Violated in 3 structures by 0.00 A. Peak 5004 from cnoeabs.peaks (1.33, 0.93, 24.73 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.98: HB2 LEU 52 + QD2 LEU 62 OK 98 99 100 99 2.0-3.6 3.1/4680=65, 3.1/5237=64...(14) QG2 THR 58 - QD2 LEU 62 far 0 92 0 - 6.7-7.4 HB2 LEU 51 - QD2 LEU 62 far 0 99 0 - 7.2-9.3 HG2 ARG 54 - QD2 LEU 62 far 0 81 0 - 8.1-11.2 QB ALA 28 - QD2 LEU 62 far 0 97 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 5005 from cnoeabs.peaks (1.49, 0.93, 24.73 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.99: HB3 LEU 52 + QD2 LEU 62 OK 95 96 100 100 2.5-4.5 1.8/5004=76, 3.1/4680=65...(16) QB ALA 63 + QD2 LEU 62 OK 60 100 60 100 4.3-5.4 726/3910=50, 5787/722=38...(20) HB3 LEU 57 + QD2 LEU 62 OK 44 89 50 99 4.6-5.5 4599=57, ~4982=51...(16) Violated in 0 structures by 0.00 A. Peak 5006 from cnoeabs.peaks (1.20, 0.87, 24.45 ppm; 3.93 A): 1 out of 12 assignments used, quality = 0.78: QG2 VAL 65 + QD1 LEU 62 OK 78 98 85 94 4.2-5.3 4722/2600=56...(14) HG LEU 52 - QD1 LEU 62 far 10 99 10 - 4.7-5.8 QG2 THR 15 - QD1 LEU 29 far 5 94 5 - 4.3-16.3 QG1 VAL 65 - QD1 LEU 62 far 3 60 5 - 4.2-5.9 HG13 ILE 33 - QD1 LEU 29 far 0 88 0 - 7.7-8.7 QG2 VAL 65 - QD1 LEU 86 far 0 86 0 - 8.2-29.6 HG13 ILE 40 - QD1 LEU 62 far 0 63 0 - 8.4-11.1 HG13 ILE 33 - QD1 LEU 62 far 0 90 0 - 8.5-10.2 HG LEU 52 - QD1 LEU 86 far 0 87 0 - 8.5-39.5 QG1 VAL 65 - QD1 LEU 86 far 0 48 0 - 8.9-30.1 QG2 VAL 65 - QD1 LEU 29 far 0 96 0 - 9.5-10.6 HG13 ILE 40 - QD1 LEU 29 far 0 61 0 - 10.0-13.4 Violated in 20 structures by 0.69 A. Peak 5007 from cnoeabs.peaks (2.05, 0.87, 24.45 ppm; 5.57 A): 3 out of 15 assignments used, quality = 0.96: HB3 GLU 25 + QD1 LEU 29 OK 83 99 85 98 3.4-8.2 ~4165=60, 4.7/5367=42...(13) HB2 GLU 25 + QD1 LEU 29 OK 73 99 75 98 4.2-8.1 ~4165=60, 4.7/5367=42...(13) HB2 GLU 87 + QD1 LEU 86 OK 25 65 70 54 3.6-7.6 3.0/3542=19, 3562/4.0=13...(7) HB3 GLN 91 - QD1 LEU 86 far 4 81 5 - 4.0-15.9 HB3 GLU 19 - QD1 LEU 29 lone 0 90 25 2 3.3-12.4 HG2 PRO 56 - QD1 LEU 62 far 0 90 0 - 6.8-8.7 HB3 PRO 56 - QD1 LEU 62 far 0 78 0 - 6.9-8.9 HB2 GLU 87 - QD1 LEU 62 far 0 78 0 - 7.0-38.1 HB3 MET 31 - QD1 LEU 29 far 0 86 0 - 7.1-8.8 HB3 GLN 91 - QD1 LEU 62 far 0 95 0 - 8.5-48.6 HB3 MET 31 - QD1 LEU 62 far 0 89 0 - 8.6-10.3 HD3 ARG 69 - QD1 LEU 62 far 0 76 0 - 8.7-12.0 HB3 GLU 50 - QD1 LEU 62 far 0 95 0 - 8.8-10.8 HD2 ARG 69 - QD1 LEU 62 far 0 76 0 - 9.0-11.9 HB2 GLU 50 - QD1 LEU 62 far 0 95 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 5008 from cnoeabs.peaks (1.69, 1.49, 17.50 ppm; 4.56 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 64 + QB ALA 63 OK 96 97 100 99 4.0-5.0 730/263=76, 3.1/4681=57...(9) HG3 ARG 66 + QB ALA 63 OK 74 99 75 100 3.6-6.3 2.8/5009=60, 4683/2.1=55...(15) HB3 GLN 61 - QB ALA 63 far 0 63 0 - 6.0-6.5 HG2 ARG 70 - QB ALA 63 far 0 81 0 - 8.4-11.3 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 = 0.95: HB3 ARG 66 + QB ALA 63 OK 95 100 95 100 4.3-6.2 4684/2.1=83, ~5369=64...(14) HG13 ILE 68 - QB ALA 63 far 0 90 0 - 7.0-7.8 HB2 MET 31 - QB ALA 63 far 0 100 0 - 7.4-8.8 HB3 ARG 70 - QB ALA 63 far 0 92 0 - 8.2-11.3 HB2 ARG 70 - QB ALA 63 far 0 92 0 - 8.8-11.3 HG LEU 57 - QB ALA 63 far 0 92 0 - 9.2-9.6 Violated in 7 structures by 0.16 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 LEU 29 - QD1 LEU 64 far 5 98 5 - 5.1-6.5 H ARG 69 - QD1 LEU 64 far 0 78 0 - 5.6-7.0 H LYS 32 - QD1 LEU 64 far 0 83 0 - 5.6-7.5 H ALA 30 - QD1 LEU 64 far 0 78 0 - 5.8-6.6 H ALA 63 - QD1 LEU 64 far 0 89 0 - 6.1-6.8 H ARG 70 - QD1 LEU 64 far 0 99 0 - 7.0-8.3 Violated in 16 structures by 0.12 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 3.6-4.8 5015/2.1=75, ~5162=58...(12) H GLU 25 - QD1 LEU 64 far 5 97 5 - 5.7-7.3 H SER 22 - QD1 LEU 64 far 0 100 0 - 8.6-10.8 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 96 97 100 100 4.5-5.7 4.7/6121=70, 4.9/4198=65...(10) H LEU 29 + QD2 LEU 64 OK 78 78 100 99 4.6-5.8 3.6/5162=84, 3.6/4173=69...(10) H ILE 33 + QD2 LEU 64 OK 73 73 100 100 4.1-5.2 4.8/6122=71, 4.5/4853=56...(9) H ASP 67 + QD2 LEU 64 OK 39 100 40 98 5.3-6.5 4737/3.9=76, 4741/2.1=62...(7) H ARG 70 - QD2 LEU 64 far 0 76 0 - 8.3-9.9 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 3 assignments used, quality = 1.00: H ALA 28 + QD2 LEU 64 OK 100 100 100 100 3.6-4.8 2.9/5162=88, 5013/2.1=79...(16) H GLU 25 - QD2 LEU 64 far 0 97 0 - 7.0-8.7 H SER 22 - QD2 LEU 64 far 0 100 0 - 9.6-12.4 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 4.4-4.9 934/2619=81, 5779/266=69...(9) H LYS 32 - HB2 LEU 64 far 0 83 0 - 7.8-9.1 H ARG 69 - HB2 LEU 64 far 0 78 0 - 8.1-9.0 H LEU 29 - HB2 LEU 64 far 0 98 0 - 8.4-9.5 H ALA 30 - HB2 LEU 64 far 0 78 0 - 8.7-9.8 H ARG 70 - HB2 LEU 64 far 0 99 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 5019 from cnoeabs.peaks (3.17, 0.95, 23.35 ppm; 4.08 A): 2 out of 9 assignments used, quality = 0.91: HD2 ARG 27 + QD1 LEU 64 OK 72 100 95 76 2.0-5.3 3.5/5022=31, 3.5/5022=31...(8) HD3 ARG 27 + QD1 LEU 64 OK 68 100 90 76 2.0-5.2 3.5/5022=31, 3.5/5022=31...(7) HD3 ARG 71 - QD1 LEU 64 far 7 65 10 - 4.6-8.6 HD2 ARG 26 - QD1 LEU 64 far 0 100 0 - 6.7-10.4 HD2 ARG 66 - QD1 LEU 64 far 0 90 0 - 6.8-10.0 HD3 ARG 23 - QD1 LEU 64 far 0 99 0 - 7.2-11.5 HD3 ARG 26 - QD1 LEU 64 far 0 100 0 - 7.4-10.1 HD2 ARG 23 - QD1 LEU 64 far 0 99 0 - 7.5-11.2 HD3 ARG 66 - QD1 LEU 64 far 0 93 0 - 7.9-10.0 Violated in 3 structures by 0.04 A. Peak 5020 from cnoeabs.peaks (2.85, 0.95, 23.35 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.96: HB3 ASP 67 + QD1 LEU 64 OK 96 98 100 98 2.8-4.6 1.8/4744=70...(7) HB2 PHE 35 - QD1 LEU 64 far 0 100 0 - 8.1-10.9 Violated in 6 structures by 0.08 A. Peak 5021 from cnoeabs.peaks (2.63, 0.84, 25.67 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: HG2 MET 31 + QD2 LEU 64 OK 100 100 100 100 1.9-3.5 4198=98, 1.8/4200=73...(22) HG2 GLN 61 - QD2 LEU 64 poor 19 63 35 85 4.1-6.4 4.0/4504=36, 3.0/5161=34...(7) 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 11 assignments used, quality = 0.99: HB3 ARG 27 + QD1 LEU 64 OK 91 100 100 91 1.9-2.8 5028/2.1=39, 4.3/5013=25...(14) HB2 ARG 27 + QD1 LEU 64 OK 90 100 100 90 2.2-4.0 ~5028=25, 4.3/5013=25...(16) HB2 ARG 71 - QD1 LEU 64 far 0 100 0 - 5.6-9.0 HB2 ARG 26 - QD1 LEU 64 far 0 73 0 - 6.0-7.9 HB3 ARG 71 - QD1 LEU 64 far 0 100 0 - 6.3-8.5 HB3 ARG 23 - QD1 LEU 64 far 0 99 0 - 6.5-10.0 HB2 ARG 23 - QD1 LEU 64 far 0 98 0 - 6.5-10.0 HB3 ARG 26 - QD1 LEU 64 far 0 71 0 - 7.0-8.2 HB2 ARG 66 - QD1 LEU 64 far 0 83 0 - 7.6-8.7 HB2 LYS 39 - QD1 LEU 64 far 0 100 0 - 8.0-11.5 HB3 PRO 34 - QD1 LEU 64 far 0 87 0 - 9.6-11.8 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 3.0-3.2 3.1=100 QE MET 31 - QD1 LEU 64 far 13 87 15 - 3.9-5.0 HB3 ARG 70 - QD1 LEU 64 far 0 89 0 - 7.5-10.5 HB2 ARG 70 - QD1 LEU 64 far 0 89 0 - 7.8-10.4 HG LEU 57 - QD1 LEU 64 far 0 89 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 5025 from cnoeabs.peaks (0.72, 1.97, 41.01 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 33 + HB2 LEU 64 OK 95 95 100 100 3.0-4.4 6122/3.1=86, 5026/1.8=78...(22) QD2 LEU 57 + HB2 LEU 64 OK 55 98 75 75 5.4-6.7 4503/4695=27...(9) 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 4.3-5.3 6122/3.1=91...(16) QD2 LEU 57 - HB3 LEU 64 far 0 100 0 - 6.8-8.1 Violated in 1 structures by 0.01 A. Peak 5027 from cnoeabs.peaks (4.26, 0.84, 25.67 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.9-4.1 3.9=100 HA SER 60 - QD2 LEU 64 far 0 87 0 - 5.5-7.3 HA ALA 20 - QD2 LEU 64 far 0 100 0 - 8.9-15.4 HA ASP 38 - QD2 LEU 64 far 0 85 0 - 9.3-11.3 HA ARG 17 - QD2 LEU 64 far 0 87 0 - 9.5-19.6 HA THR 15 - QD2 LEU 64 far 0 93 0 - 9.6-21.4 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 12 assignments used, quality = 0.96: HB3 ARG 27 + QD2 LEU 64 OK 91 99 100 92 2.5-3.9 5022/2.1=36, 4.3/5015=26...(15) HB2 ARG 27 + QD2 LEU 64 OK 59 99 65 92 3.2-5.3 5022/2.1=35, 4.3/5015=26...(15) HB2 ARG 26 - QD2 LEU 64 far 0 85 0 - 7.1-8.2 HB3 ARG 26 - QD2 LEU 64 far 0 83 0 - 7.4-8.8 HB2 ARG 71 - QD2 LEU 64 far 0 99 0 - 7.8-11.5 HB3 ARG 23 - QD2 LEU 64 far 0 95 0 - 8.2-11.5 HB2 ARG 66 - QD2 LEU 64 far 0 92 0 - 8.3-9.1 HB3 PRO 34 - QD2 LEU 64 far 0 95 0 - 8.3-9.3 HB2 LYS 39 - QD2 LEU 64 far 0 99 0 - 8.4-11.3 HB2 ARG 23 - QD2 LEU 64 far 0 93 0 - 8.4-11.8 HB3 ARG 71 - QD2 LEU 64 far 0 99 0 - 8.6-10.9 HB2 ARG 17 - QD2 LEU 64 far 0 81 0 - 8.9-20.0 Violated in 1 structures by 0.01 A. Peak 5029 from cnoeabs.peaks (1.45, 0.84, 25.67 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HG12 ILE 33 + QD2 LEU 64 OK 99 99 100 100 2.5-3.3 2.1/6122=83, 1.8/4853=61...(21) QB ALA 30 + QD2 LEU 64 OK 37 100 40 92 4.6-5.4 6116/4198=40...(13) HB3 LEU 57 - QD2 LEU 64 far 0 87 0 - 5.5-7.0 HB3 LEU 52 - QD2 LEU 64 far 0 76 0 - 9.6-11.0 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 1.9-3.2 2.1/6122=74, 4853=60...(16) QG2 VAL 65 + QD2 LEU 64 OK 98 100 100 98 2.8-4.2 5965=65, 2669/269=45...(21) QG1 VAL 65 - QD2 LEU 64 far 9 87 10 - 4.3-5.6 HG13 ILE 40 - QD2 LEU 64 far 0 89 0 - 5.9-8.0 HG2 ARG 69 - QD2 LEU 64 far 0 68 0 - 8.5-11.3 QG2 THR 15 - QD2 LEU 64 far 0 76 0 - 8.7-19.1 HG LEU 52 - QD2 LEU 64 far 0 85 0 - 9.0-10.5 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 = 0.94: QD PHE 35 + QG1 VAL 65 OK 94 100 95 100 4.0-6.1 6096/4728=54...(17) Violated in 3 structures by 0.09 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 3.0-3.6 268/3.0=82, 4759/4761=78...(25) HG LEU 62 - HA VAL 65 far 0 78 0 - 6.6-7.3 HG2 LYS 39 - HA VAL 65 far 0 100 0 - 8.0-10.6 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 2.0-3.1 5247/4761=55, 1958=50...(26) HG3 PRO 34 - HA VAL 65 far 0 95 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 5034 from cnoeabs.peaks (0.92, 1.23, 22.65 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.98: QG2 ILE 40 + QG1 VAL 65 OK 98 99 100 99 1.8-3.3 1941=42, 4323/4718=40...(25) QD2 LEU 62 + QG1 VAL 65 OK 28 99 30 95 3.0-5.3 2593/4723=40...(15) QG2 VAL 41 - QG1 VAL 65 far 0 95 0 - 4.9-6.6 HG12 ILE 68 - QG1 VAL 65 far 0 100 0 - 5.3-6.5 QD2 LEU 43 - QG1 VAL 65 far 0 76 0 - 7.1-8.8 QG1 VAL 76 - QG1 VAL 65 far 0 100 0 - 9.7-14.6 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 1.8-3.6 3.0/5034=40, 5033/3.2=38...(29) QD1 LEU 57 + QG1 VAL 65 OK 66 71 100 93 2.8-3.8 2.1/4729=28...(18) HG3 PRO 34 - QG1 VAL 65 far 0 76 0 - 6.0-7.6 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 2.1-3.4 743=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 2.3-3.6 744=97, 743/1.8=95...(19) 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 4.3-4.8 743/3.0=94, 742/3.4=89...(18) H ARG 66 + HD3 ARG 66 OK 100 100 100 100 3.5-4.9 743/3.0=94, 742/3.4=89...(18) H ARG 66 - HD2 ARG 70 far 0 89 0 - 6.2-11.5 H ARG 66 - HD3 ARG 70 far 0 92 0 - 7.3-11.8 H ARG 66 - HD3 ARG 27 far 0 45 0 - 8.1-13.8 H ARG 66 - HD2 ARG 27 far 0 45 0 - 8.4-12.8 H ARG 66 - HD3 ARG 71 far 0 56 0 - 9.1-11.3 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 3.2-4.7 143/5249=73, 4.5/4753=71...(13) HD21 ASN 42 - QG2 ILE 68 poor 17 97 40 44 5.6-7.2 4363/1982=33, 4356/4891=16 HD21 ASN 74 - QG2 ILE 68 far 0 100 0 - 7.4-12.7 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 3.8-5.0 3.2/5247=89, 4753/2.9=83...(23) HB2 PRO 36 - QD1 ILE 68 far 0 78 0 - 6.8-8.0 HG2 PRO 36 - QD1 ILE 68 far 0 98 0 - 7.4-8.8 HG3 PRO 36 - QD1 ILE 68 far 0 99 0 - 8.5-9.8 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 3.2-4.2 4761/2.1=95...(17) HA ARG 69 - HG13 ILE 68 far 0 99 0 - 6.4-6.5 HA ILE 40 - HG13 ILE 68 far 0 97 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 5045 from cnoeabs.peaks (1.60, 3.51, 65.41 ppm; 5.83 A): 2 out of 6 assignments used, quality = 0.93: HG2 ARG 71 + HA ILE 68 OK 90 90 100 100 2.2-5.9 1.8/5985=86...(10) HG3 ARG 70 + HA ILE 68 OK 25 98 35 73 3.8-8.1 5.0/5389=68, 5840/5845=14 HG2 ARG 27 - HA ILE 68 far 6 63 10 - 6.5-10.0 HG3 ARG 27 - HA ILE 68 far 6 60 10 - 6.3-9.5 HD3 LYS 73 - HA ILE 68 far 0 99 0 - 8.4-11.8 HD2 LYS 73 - HA ILE 68 far 0 99 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 5047 from cnoeabs.peaks (3.97, 1.80, 29.46 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.98: HA ARG 66 + HB2 ARG 69 OK 98 100 100 98 2.8-4.1 4766/1.8=68, 5379/760=63...(12) HA2 GLY 72 - HB2 ARG 69 far 0 98 0 - 5.9-7.8 HA VAL 76 - HB2 ARG 69 far 0 100 0 - 9.0-15.8 Violated in 0 structures by 0.00 A. Peak 5048 from cnoeabs.peaks (3.98, 3.63, 59.20 ppm; 4.93 A): 3 out of 5 assignments used, quality = 0.99: HA2 GLY 72 + HA ARG 69 OK 89 90 100 98 3.4-5.1 3.0/15492=77...(11) HA ARG 70 + HA ARG 69 OK 75 76 100 99 4.7-4.8 3.6/5837=57, ~940=52...(15) HA ARG 66 + HA ARG 69 OK 70 100 70 100 5.3-6.1 5379/2.9=84, 5047/3.0=76...(10) HA3 GLY 21 - HA ARG 69 far 0 63 0 - 8.6-18.5 HA VAL 76 - HA ARG 69 far 0 97 0 - 9.4-15.9 Violated in 0 structures by 0.00 A. Peak 5049 from cnoeabs.peaks (1.72, 4.48, 57.73 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.83: HG2 ARG 70 + HA ASP 67 OK 83 98 85 99 2.0-5.7 5052=76, 770/4792=56...(12) HG3 ARG 66 - HA ASP 67 poor 16 78 20 - 4.8-6.5 HB2 ARG 84 - HA ASP 46 far 0 85 0 - 6.9-42.4 HB3 LEU 64 - HA ASP 67 far 0 83 0 - 7.3-8.2 HB3 LYS 83 - HA ASP 46 far 0 90 0 - 8.4-38.6 HB2 LEU 43 - HA ASP 46 far 0 87 0 - 8.6-9.3 Violated in 4 structures by 0.20 A. Peak 5050 from cnoeabs.peaks (1.61, 4.48, 57.73 ppm; 4.72 A): 2 out of 12 assignments used, quality = 0.92: HG3 ARG 70 + HA ASP 67 OK 84 100 85 99 2.0-6.6 1.8/5049=84...(12) HG2 ARG 71 + HA ASP 67 OK 47 97 85 57 3.2-7.1 5.0/5838=37, 771/4792=20...(6) HG3 ARG 84 - HA ASP 46 far 4 78 5 - 5.1-40.6 HG2 ARG 84 - HA ASP 46 far 0 78 0 - 6.0-41.0 HB3 LEU 51 - HA ASP 46 far 0 85 0 - 7.7-9.3 HG2 ARG 27 - HA ASP 67 far 0 76 0 - 8.0-12.4 HG3 ARG 27 - HA ASP 67 far 0 73 0 - 8.0-11.8 HB3 LEU 62 - HA ASP 67 far 0 83 0 - 9.2-10.3 HD2 LYS 73 - HA ASP 67 far 0 100 0 - 9.4-12.7 HD3 LYS 73 - HA ASP 46 far 0 89 0 - 9.6-16.4 HD3 LYS 73 - HA ASP 67 far 0 100 0 - 9.8-12.3 HD2 LYS 73 - HA ASP 46 far 0 89 0 - 9.8-15.6 Violated in 1 structures by 0.04 A. Peak 5051 from cnoeabs.peaks (4.47, 1.95, 29.80 ppm; 3.72 A): 3 out of 6 assignments used, quality = 0.95: HA ASP 67 + HB3 ARG 70 OK 64 98 70 93 2.1-5.6 5049/2.9=43, 4792/4.1=39...(11) HA ASP 67 + HB2 ARG 70 OK 64 98 70 93 2.8-5.7 5049/2.9=43, 4792/4.1=39...(11) HA ASP 67 + HB3 ARG 66 OK 60 85 75 94 4.1-5.7 4742=37, 3.0/279=29...(15) HA ASP 24 - HB3 ARG 70 far 0 85 0 - 9.2-14.1 HA ASP 24 - HB2 ARG 70 far 0 85 0 - 9.8-14.7 HA TYR 81 - HB2 ARG 70 far 0 99 0 - 9.8-22.7 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 2.0-5.7 5049=98, 4792/770=65...(12) HA ASP 24 - HG2 ARG 70 far 0 99 0 - 7.9-13.4 Violated in 4 structures by 0.12 A. Peak 5057 from cnoeabs.peaks (1.38, 2.78, 38.52 ppm; 4.94 A): 4 out of 23 assignments used, quality = 0.79: QB ALA 77 + HB3 ASN 74 OK 48 99 50 97 2.4-10.4 16040/3.0=89, ~16039=38...(8) QB ALA 78 + HB3 ASN 80 OK 32 67 50 96 4.0-7.6 5874/1.8=63, ~5869=60...(4) HG3 LYS 75 + HB3 ASN 74 OK 24 99 35 70 3.9-8.5 4.8/335=35, 3.9/5875=28...(5) HG2 LYS 75 + HB3 ASN 74 OK 21 99 30 71 3.0-8.9 4.8/335=35, 3.9/5875=28...(6) QB ALA 77 - HB2 ASN 74 poor 17 55 30 - 1.9-10.6 HG2 LYS 75 - HB2 ASN 74 poor 17 55 30 - 3.5-8.7 HG3 LYS 73 - HB3 ASN 74 far 15 100 15 - 5.1-8.3 HG3 LYS 73 - HB2 ASN 74 poor 14 56 40 60 3.7-7.7 327/4.0=39, ~6053=27, 5892/4.6=9 QB ALA 77 - HB3 ASN 80 poor 13 66 20 - 3.3-10.7 HG3 LYS 75 - HB2 ASN 74 poor 11 55 40 50 3.9-8.3 4.8/334=21, 4.9/5855=18...(4) HG2 LYS 83 - HB3 ASN 80 far 3 59 5 - 2.1-14.6 QB ALA 78 - HB3 ASN 74 far 0 100 0 - 6.0-12.9 QB ALA 78 - HB2 ASN 74 far 0 56 0 - 6.2-13.2 QB ALA 20 - HB3 ASN 74 far 0 100 0 - 6.8-22.3 QB ALA 20 - HB2 ASN 74 far 0 56 0 - 7.2-21.8 HG3 ARG 69 - HB2 ASN 74 far 0 56 0 - 7.2-12.6 QB ALA 16 - HB3 ASN 80 far 0 45 0 - 7.4-44.4 HG3 ARG 69 - HB3 ASN 74 far 0 99 0 - 8.0-13.1 HG2 LYS 75 - HB3 ASN 80 far 0 66 0 - 8.0-21.4 HB3 ARG 69 - HB2 ASN 74 far 0 51 0 - 8.4-12.4 HG3 LYS 75 - HB3 ASN 80 far 0 66 0 - 9.0-20.5 HB3 ARG 69 - HB3 ASN 74 far 0 96 0 - 9.1-13.2 HG2 LYS 85 - HB3 ASN 80 far 0 67 0 - 9.6-20.5 Violated in 3 structures by 0.03 A. Peak 5058 from cnoeabs.peaks (1.38, 2.81, 38.52 ppm; 4.91 A): 4 out of 16 assignments used, quality = 0.69: QB ALA 77 + HB2 ASN 74 OK 29 99 30 97 1.9-10.6 16040/3.0=89, ~16039=38...(6) QB ALA 77 + HB3 ASN 74 OK 27 55 50 97 2.4-10.4 16040/3.0=89, ~16039=38...(6) HG3 LYS 75 + HB2 ASN 74 OK 24 99 40 61 3.9-8.3 4.8/334=36, 4.9/5855=21...(4) HG3 LYS 73 + HB2 ASN 74 OK 21 100 35 60 3.7-7.7 327/4.0=39, ~6053=27, 5892/4.6=9 HG3 LYS 75 - HB3 ASN 74 poor 19 55 35 - 3.9-8.5 HG2 LYS 75 - HB2 ASN 74 poor 18 99 30 61 3.5-8.7 4.8/334=36, 4.9/5855=21...(4) HG2 LYS 75 - HB3 ASN 74 poor 17 55 30 - 3.0-8.9 HG3 LYS 73 - HB3 ASN 74 far 8 56 15 - 5.1-8.3 QB ALA 78 - HB3 ASN 74 far 0 56 0 - 6.0-12.9 QB ALA 78 - HB2 ASN 74 far 0 100 0 - 6.2-13.2 QB ALA 20 - HB3 ASN 74 far 0 56 0 - 6.8-22.3 QB ALA 20 - HB2 ASN 74 far 0 100 0 - 7.2-21.8 HG3 ARG 69 - HB2 ASN 74 far 0 99 0 - 7.2-12.6 HG3 ARG 69 - HB3 ASN 74 far 0 56 0 - 8.0-13.1 HB3 ARG 69 - HB2 ASN 74 far 0 96 0 - 8.4-12.4 HB3 ARG 69 - HB3 ASN 74 far 0 51 0 - 9.1-13.2 Violated in 3 structures by 0.00 A. Peak 5061 from cnoeabs.peaks (4.00, 1.82, 32.45 ppm; 4.68 A): 1 out of 7 assignments used, quality = 0.88: * HA ARG 70 + HB2 LYS 73 OK 88 100 100 88 2.9-5.4 5987/787=75, 5984/1.8=38...(6) HA ARG 70 - HB2 LYS 75 far 0 77 0 - 5.8-10.9 HA ARG 66 - HB2 LYS 73 far 0 71 0 - 7.8-10.6 HA PHE 48 - HB2 LYS 73 far 0 65 0 - 8.9-12.9 HB2 SER 22 - HB2 LYS 75 far 0 73 0 - 9.1-22.0 HB2 SER 22 - HB2 LYS 73 far 0 98 0 - 9.2-16.8 HA ARG 66 - HB2 LYS 75 far 0 47 0 - 9.6-17.5 Violated in 1 structures by 0.04 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 5 assignments used, quality = 0.96: HB3 GLN 61 + QE MET 31 OK 90 97 95 98 3.3-5.1 3.0/5079=68, 4.6/5930=32...(15) HB3 LEU 64 + QE MET 31 OK 65 65 100 99 2.9-4.8 3.1/5074=69, 3.1/5073=59...(16) HG3 ARG 66 - QE MET 31 far 0 71 0 - 7.6-9.7 HG LEU 29 - QE MET 31 far 0 100 0 - 7.7-8.8 HG2 ARG 23 - QE MET 31 far 0 100 0 - 9.8-14.9 Violated in 2 structures by 0.00 A. Peak 5071 from cnoeabs.peaks (1.46, 1.99, 16.73 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.93: HG12 ILE 33 + QE MET 31 OK 77 93 85 97 3.7-6.0 2.1/5075=47...(12) QB ALA 63 + QE MET 31 OK 50 63 90 89 4.1-5.4 3.6/5082=56...(11) QB ALA 30 + QE MET 31 OK 41 95 45 96 4.3-5.7 5305/3.3=51, 6116/3.3=51...(9) HB3 LEU 57 - QE MET 31 far 0 97 0 - 5.7-7.4 HG3 LYS 13 - QE MET 31 far 0 100 0 - 9.3-26.8 Violated in 0 structures by 0.00 A. Peak 5073 from cnoeabs.peaks (0.94, 1.99, 16.73 ppm; 4.04 A): 1 out of 4 assignments used, quality = 0.91: QD1 LEU 64 + QE MET 31 OK 91 96 95 100 3.9-5.0 2.1/5074=84, 5310/3.3=47...(14) QD2 LEU 62 - QE MET 31 far 0 95 0 - 7.1-8.6 HG12 ILE 68 - QE MET 31 far 0 78 0 - 7.4-9.8 QG2 ILE 40 - QE MET 31 far 0 95 0 - 7.9-9.7 Violated in 18 structures by 0.27 A. Peak 5074 from cnoeabs.peaks (0.83, 1.99, 16.73 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.97: QD2 LEU 64 + QE MET 31 OK 97 98 100 99 1.9-3.9 2.1/5073=53, 4198/3.3=43...(21) QG2 ILE 68 - QE MET 31 far 0 65 0 - 7.6-9.4 QD2 LEU 29 - QE MET 31 far 0 98 0 - 7.8-8.4 QD1 ILE 89 - QE MET 31 far 0 71 0 - 8.3-38.9 QG2 ILE 89 - QE MET 31 far 0 99 0 - 9.4-40.3 Violated in 1 structures by 0.02 A. Peak 5075 from cnoeabs.peaks (0.71, 1.99, 16.73 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + QE MET 31 OK 99 100 100 100 2.5-4.5 6122/5074=72...(19) QD2 LEU 57 + QE MET 31 OK 57 100 70 81 4.5-6.0 4503/5079=29...(10) Violated in 2 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 = 0.92: HG3 MET 31 + QE MET 31 OK 83 83 100 100 2.5-3.4 3.3=100 HB2 GLN 61 + QE MET 31 OK 53 78 70 97 4.0-5.3 3.0/5079=68, 1.8/5070=44...(15) 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 2.3-3.4 3.3=100 HG2 GLN 61 + QE MET 31 OK 64 78 90 90 2.6-4.6 4.0/5079=41, 3.5/5930=28...(14) 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 = 0.75: HB3 SER 60 + QE MET 31 OK 53 97 85 65 2.0-4.6 4651=26, 1.8/4651=25...(6) HB2 SER 60 + QE MET 31 OK 47 97 75 64 2.0-4.6 4651=26, 1.8/4651=25...(5) HA LEU 52 - QE MET 31 far 0 71 0 - 9.2-10.8 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 = 0.98: HA GLN 61 + QE MET 31 OK 98 100 100 98 2.0-3.5 5232=52, 4687/5082=33...(19) HA ALA 28 - QE MET 31 far 0 100 0 - 4.8-6.3 HA LYS 32 - QE MET 31 far 0 93 0 - 5.7-6.7 HA THR 37 - QE MET 31 far 0 65 0 - 8.8-11.4 HA ARG 66 - QE MET 31 far 0 93 0 - 9.4-11.0 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 2.1-3.5 5189=99, 1529/3.3=66...(10) HA THR 58 - QE MET 31 far 0 89 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 5081 from cnoeabs.peaks (4.27, 1.99, 16.73 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.88: HA SER 60 + QE MET 31 OK 82 100 100 82 3.3-5.0 3.0/5078=43, 3.0/5078=38...(6) HA LEU 64 + QE MET 31 OK 32 95 35 98 4.9-6.2 3.9/5074=63, 3.0/5082=62...(8) HA THR 15 - QE MET 31 far 0 65 0 - 9.1-24.5 HA ARG 17 - QE MET 31 far 0 100 0 - 9.9-22.5 Violated in 7 structures by 0.06 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 3.7-5.2 732/5074=59...(13) Violated in 9 structures by 0.15 A. Peak 5083 from cnoeabs.peaks (7.69, 1.99, 16.73 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: H GLN 61 + QE MET 31 OK 97 98 100 99 3.0-4.8 3.0/5079=70, 3.6/5081=37...(20) H MET 31 + QE MET 31 OK 90 90 100 100 4.3-4.9 3.0/5189=63, 559/3.3=53...(14) Violated in 2 structures by 0.00 A. Peak 5087 from cnoeabs.peaks (7.94, 1.99, 16.73 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.99: H LYS 32 + QE MET 31 OK 99 100 100 99 4.6-5.3 90/5189=78, 3774/3.3=68...(9) H LEU 29 - QE MET 31 far 0 93 0 - 7.1-7.7 H ASP 67 - QE MET 31 far 0 99 0 - 7.4-9.1 Violated in 16 structures by 0.09 A. Peak 5092 from cnoeabs.peaks (8.21, 2.27, 31.85 ppm; 5.78 A): 1 out of 4 assignments used, quality = 0.97: H THR 15 + HB2 PRO 14 OK 97 97 100 100 2.1-4.3 4.0=100 H GLN 79 - HB2 PRO 14 far 5 100 5 - 4.4-53.7 H ALA 77 - HB2 PRO 14 far 0 97 0 - 6.9-46.7 H ALA 12 - HB2 PRO 14 far 0 73 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 5094 from cnoeabs.peaks (3.91, 2.05, 29.32 ppm; 3.89 A): 3 out of 11 assignments used, quality = 0.84: HA LEU 51 + HB3 GLU 50 OK 49 51 100 95 4.1-4.4 3.0/189=32, 4944/3.9=24...(16) HA LEU 51 + HB2 GLU 50 OK 49 51 100 95 4.4-4.6 3.0/189=33, 4944/3.9=24...(15) HB3 SER 22 + HB2 GLU 25 OK 41 81 55 92 2.9-8.0 3.0/4153=47, 4155=30...(9) HA3 GLY 18 - HB3 GLU 25 far 9 93 10 - 4.7-14.2 HB3 SER 22 - HB3 GLU 25 far 8 81 10 - 4.4-7.6 HA2 GLY 18 - HB3 GLU 25 far 5 95 5 - 4.2-14.1 HA2 GLY 18 - HB2 GLU 25 far 0 94 0 - 4.9-14.6 HA3 GLY 18 - HB2 GLU 25 far 0 93 0 - 5.8-14.7 HA THR 37 - HB3 GLU 25 far 0 81 0 - 6.3-9.3 HA THR 37 - HB2 GLU 25 far 0 81 0 - 6.6-10.4 HA ILE 33 - HB3 PRO 56 far 0 30 0 - 8.6-10.7 Violated in 2 structures by 0.00 A. Peak 5095 from cnoeabs.peaks (0.95, 1.85, 30.20 ppm; 4.00 A): 3 out of 43 assignments used, quality = 1.00: QD1 LEU 64 + HB3 ARG 27 OK 97 99 100 98 1.9-2.8 5022=50, 2.1/5028=48...(15) QD1 LEU 64 + HB2 ARG 27 OK 97 99 100 97 2.2-4.0 5022=49, 5022/1.8=43...(15) QG2 VAL 41 + HB2 ARG 71 OK 28 93 50 60 3.5-6.5 5055/4.4=39, 5834/4.0=21...(7) HG12 ILE 68 - HB2 ARG 27 poor 19 63 50 61 4.0-6.0 2.1/5974=37, ~5974=25...(5) HG12 ILE 68 - HB3 ARG 27 poor 17 63 45 60 3.4-7.2 2.1/5974=37, ~5974=25...(4) HG12 ILE 68 - HB2 ARG 71 poor 13 63 40 53 4.1-7.4 4.0/5392=19, 3.2/5096=8...(11) QD2 LEU 62 - HB2 ARG 66 poor 13 45 45 65 4.1-6.5 ~5373=27, 5958/3.4=15...(8) QG2 VAL 41 - HB3 ARG 71 far 9 93 10 - 4.5-6.9 QG1 VAL 76 - HB3 ARG 71 far 3 63 5 - 4.5-13.0 HG12 ILE 68 - HB3 ARG 71 far 0 63 0 - 5.2-8.0 QD1 LEU 64 - HB2 ARG 71 far 0 99 0 - 5.6-9.0 QG1 VAL 76 - HB2 ARG 71 far 0 63 0 - 5.7-13.0 QG2 ILE 40 - HB2 ARG 66 far 0 45 0 - 5.7-7.0 QG2 VAL 76 - HB2 ARG 71 far 0 63 0 - 5.7-14.7 QG2 ILE 40 - HB2 ARG 71 far 0 85 0 - 5.8-8.6 QD1 LEU 64 - HB2 ARG 26 far 0 55 0 - 6.0-7.9 QD1 LEU 64 - HB3 ARG 71 far 0 99 0 - 6.3-8.5 QD1 LEU 64 - HB3 ARG 23 far 0 81 0 - 6.5-10.0 QG2 VAL 76 - HB3 ARG 71 far 0 63 0 - 6.5-14.5 QD1 LEU 64 - HB2 ARG 23 far 0 80 0 - 6.5-10.0 QG1 VAL 76 - HB2 ARG 23 far 0 45 0 - 6.6-21.3 QG2 ILE 40 - HB3 ARG 71 far 0 85 0 - 6.6-8.9 HG12 ILE 68 - HB3 ARG 23 far 0 45 0 - 6.7-11.8 QG2 VAL 76 - HB2 ARG 66 far 0 31 0 - 6.9-16.6 QD1 LEU 64 - HB3 ARG 26 far 0 52 0 - 7.0-8.2 HG12 ILE 68 - HB2 ARG 23 far 0 45 0 - 7.3-10.9 HG12 ILE 68 - HB2 ARG 26 far 0 29 0 - 7.3-10.5 QD1 LEU 64 - HB2 ARG 66 far 0 59 0 - 7.6-8.7 QG1 VAL 76 - HB3 ARG 23 far 0 45 0 - 7.6-21.6 QG1 VAL 76 - HB2 ARG 66 far 0 31 0 - 7.7-15.3 QG2 ILE 40 - HB3 ARG 27 far 0 85 0 - 7.8-9.8 QG2 ILE 40 - HB2 ARG 27 far 0 85 0 - 7.9-9.6 QG2 VAL 41 - HB2 ARG 27 far 0 93 0 - 8.0-10.0 QG2 VAL 41 - HB2 ARG 23 far 0 72 0 - 8.3-13.0 QG2 VAL 41 - HB2 ARG 66 far 0 52 0 - 8.4-9.7 QG2 VAL 41 - HB3 ARG 27 far 0 93 0 - 8.4-10.8 QG2 VAL 41 - HB3 ARG 23 far 0 72 0 - 8.6-13.2 QG2 VAL 76 - HB2 ARG 23 far 0 45 0 - 8.8-22.5 HG12 ILE 68 - HB3 ARG 26 far 0 27 0 - 8.9-11.2 HG12 ILE 68 - HB2 ARG 66 far 0 31 0 - 9.0-10.0 QG2 VAL 76 - HB3 ARG 23 far 0 45 0 - 9.2-22.8 QG2 ILE 40 - HB3 PRO 34 far 0 35 0 - 9.5-11.9 QD1 LEU 64 - HB3 PRO 34 far 0 47 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 5096 from cnoeabs.peaks (0.83, 1.85, 30.20 ppm; 4.03 A): 6 out of 30 assignments used, quality = 1.00: QD2 LEU 64 + HB3 ARG 27 OK 91 93 100 97 2.5-3.9 5028=56, 2.1/5022=41...(15) QD2 LEU 64 + HB2 ARG 27 OK 86 93 95 97 3.2-5.3 5028/1.8=48, 2.1/5022=41...(14) QG2 ILE 68 + HB2 ARG 71 OK 44 78 70 80 2.4-6.1 3.2/5392=23, ~5985=20...(13) QD2 LEU 29 + HB3 ARG 26 OK 41 46 95 95 3.0-5.6 5349/3.0=29, ~5929=28...(20) QD2 LEU 29 + HB2 ARG 26 OK 34 48 75 95 4.1-5.8 5349/3.0=29, ~5929=28...(20) QG2 ILE 68 + HB3 ARG 71 OK 28 78 45 79 3.6-6.6 3.2/5392=22, ~5985=20...(12) QG2 ILE 68 - HB3 ARG 27 far 4 78 5 - 4.9-8.1 QG2 ILE 68 - HB2 ARG 27 far 0 78 0 - 5.2-7.2 QD2 LEU 29 - HB2 ARG 27 far 0 93 0 - 5.6-6.3 QD2 LEU 29 - HB3 ARG 27 far 0 93 0 - 5.8-6.7 QG2 ILE 68 - HB3 ARG 23 far 0 58 0 - 6.2-11.4 QG2 ILE 68 - HB2 ARG 23 far 0 57 0 - 6.9-10.8 QD2 LEU 64 - HB2 ARG 26 far 0 48 0 - 7.1-8.2 QD2 LEU 64 - HB3 ARG 26 far 0 46 0 - 7.4-8.8 QG2 ILE 68 - HB2 ARG 26 far 0 37 0 - 7.5-10.4 QG2 ILE 68 - HB2 ARG 66 far 0 40 0 - 7.6-8.3 QD2 LEU 29 - HB2 ARG 23 far 0 72 0 - 7.7-9.6 QD2 LEU 64 - HB2 ARG 71 far 0 93 0 - 7.8-11.5 QD2 LEU 29 - HB3 ARG 23 far 0 72 0 - 7.9-9.1 QD2 LEU 64 - HB3 ARG 23 far 0 72 0 - 8.2-11.5 QD2 LEU 64 - HB2 ARG 66 far 0 52 0 - 8.3-9.1 QD2 LEU 64 - HB3 PRO 34 far 0 41 0 - 8.3-9.3 QD2 LEU 64 - HB2 ARG 23 far 0 72 0 - 8.4-11.8 QD2 LEU 64 - HB3 ARG 71 far 0 93 0 - 8.6-10.9 QG2 ILE 68 - HB3 ARG 26 far 0 36 0 - 8.9-11.2 QD2 LEU 29 - HB3 PRO 34 far 0 41 0 - 9.0-13.2 QD1 LEU 43 - HB3 PRO 34 far 0 48 0 - 9.0-10.6 QD2 LEU 29 - HB2 ARG 71 far 0 93 0 - 9.8-13.8 QD1 LEU 43 - HB2 ARG 66 far 0 60 0 - 9.9-11.5 QD2 LEU 29 - HB3 ARG 71 far 0 93 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 5098 from cnoeabs.peaks (0.84, 3.17, 43.10 ppm; 4.47 A): 4 out of 27 assignments used, quality = 0.97: QD2 LEU 64 + HD2 ARG 27 OK 69 100 75 93 3.8-5.8 2.1/5019=42, 5028/3.5=42...(10) QD2 LEU 64 + HD3 ARG 27 OK 69 100 75 92 3.8-6.3 5028/3.5=42, 2.1/5019=40...(9) QD2 LEU 29 + HD3 ARG 26 OK 51 99 65 79 2.6-6.5 5349/4.8=27, 5100/3.0=24...(11) QD2 LEU 29 + HD2 ARG 26 OK 31 99 40 79 4.0-6.7 5349/4.8=27, 5100/3.0=24...(11) QD2 LEU 86 - HD3 ARG 84 far 12 80 15 - 3.6-11.1 QD2 LEU 86 - HD2 ARG 84 far 8 76 10 - 3.8-10.1 QD2 LEU 29 - HD3 ARG 27 far 0 100 0 - 5.5-8.7 QD2 LEU 29 - HD2 ARG 27 far 0 100 0 - 5.8-8.3 QD2 LEU 29 - HD2 ARG 17 far 0 97 0 - 6.4-17.1 QD2 LEU 29 - HD3 ARG 17 far 0 97 0 - 6.8-16.3 QD2 LEU 86 - HD2 ARG 82 far 0 74 0 - 6.8-16.4 QD2 LEU 64 - HD2 ARG 26 far 0 99 0 - 7.4-10.7 QD2 LEU 64 - HD2 ARG 71 far 0 59 0 - 7.5-11.5 QD2 LEU 29 - HD3 ARG 23 far 0 99 0 - 7.6-10.8 QD2 LEU 29 - HD2 ARG 23 far 0 99 0 - 7.8-11.2 QD2 LEU 86 - HD2 ARG 66 far 0 43 0 - 7.8-33.8 QD2 LEU 64 - HD3 ARG 26 far 0 99 0 - 7.8-10.5 QD2 LEU 64 - HD2 ARG 66 far 0 44 0 - 8.2-10.0 QD2 LEU 64 - HD3 ARG 66 far 0 47 0 - 8.3-10.1 QD2 LEU 86 - HD3 ARG 66 far 0 46 0 - 8.7-34.1 QD2 LEU 64 - HD3 ARG 23 far 0 99 0 - 9.0-13.1 QD2 LEU 29 - HD2 ARG 71 far 0 59 0 - 9.1-16.0 QD2 LEU 64 - HD2 ARG 23 far 0 99 0 - 9.3-12.4 QD1 ILE 89 - HD2 ARG 84 far 0 40 0 - 9.4-18.6 QD1 LEU 43 - HD2 ARG 66 far 0 41 0 - 9.5-14.0 QG2 ILE 89 - HD2 ARG 82 far 0 76 0 - 9.6-22.7 QD1 LEU 43 - HD3 ARG 17 far 0 94 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 5099 from cnoeabs.peaks (0.91, 3.17, 43.10 ppm; 4.76 A): 2 out of 46 assignments used, quality = 0.45: QD2 LEU 62 + HD3 ARG 66 OK 27 37 90 81 1.9-6.4 ~5373=39, 5958=30...(7) QD2 LEU 62 + HD2 ARG 66 OK 24 35 85 81 1.9-6.9 ~5373=39, 5958=29...(7) HG12 ILE 68 - HD2 ARG 71 poor 14 57 25 - 4.6-9.5 QG2 VAL 41 - HD2 ARG 71 poor 8 40 20 - 4.4-8.5 QD1 LEU 86 - HD3 ARG 84 far 5 52 10 - 2.4-11.1 HG12 ILE 68 - HD3 ARG 27 far 5 99 5 - 5.6-9.6 QD2 LEU 62 - HD3 ARG 84 far 3 68 5 - 4.3-30.0 QD2 LEU 62 - HD2 ARG 84 far 3 63 5 - 4.7-30.4 QG1 VAL 76 - HD2 ARG 71 far 3 57 5 - 4.2-14.2 QD1 LEU 86 - HD2 ARG 84 far 2 48 5 - 3.6-10.1 HG12 ILE 68 - HD2 ARG 27 lone 0 99 25 1 4.4-9.3 QD1 LEU 86 - HD2 ARG 66 far 0 26 0 - 5.7-35.5 QG2 ILE 40 - HD2 ARG 66 far 0 35 0 - 6.2-9.1 QG2 VAL 76 - HD2 ARG 71 far 0 57 0 - 6.3-14.2 QD1 LEU 86 - HD3 ARG 66 far 0 28 0 - 6.6-35.8 QG2 ILE 40 - HD2 ARG 71 far 0 47 0 - 6.7-10.2 QG1 VAL 76 - HD2 ARG 23 far 0 98 0 - 6.8-21.3 QG2 ILE 40 - HD3 ARG 66 far 0 37 0 - 6.8-8.7 QG2 VAL 76 - HD3 ARG 66 far 0 45 0 - 7.1-17.8 QG2 VAL 41 - HD3 ARG 17 far 0 74 0 - 7.2-20.8 QG2 VAL 76 - HD2 ARG 82 far 0 73 0 - 7.5-17.7 QG1 VAL 76 - HD3 ARG 23 far 0 98 0 - 8.0-22.1 HG12 ILE 68 - HD2 ARG 23 far 0 98 0 - 8.2-13.1 QG2 VAL 41 - HD2 ARG 17 far 0 74 0 - 8.4-20.4 QG2 ILE 40 - HD2 ARG 27 far 0 89 0 - 8.5-12.0 QG2 VAL 76 - HD2 ARG 66 far 0 42 0 - 8.5-17.7 QG2 VAL 76 - HD2 ARG 23 far 0 98 0 - 8.5-22.8 QD1 LEU 86 - HD2 ARG 82 far 0 47 0 - 8.5-16.8 HG LEU 51 - HD2 ARG 66 far 0 30 0 - 8.6-14.5 HG LEU 51 - HD3 ARG 66 far 0 33 0 - 8.7-15.3 QG2 VAL 41 - HD2 ARG 27 far 0 78 0 - 8.8-12.6 HG12 ILE 68 - HD3 ARG 23 far 0 98 0 - 8.8-13.4 QG1 VAL 76 - HD3 ARG 66 far 0 45 0 - 9.1-17.7 QG2 VAL 76 - HD3 ARG 23 far 0 98 0 - 9.1-23.5 QG2 ILE 40 - HD3 ARG 27 far 0 89 0 - 9.1-12.2 QG1 VAL 76 - HD2 ARG 27 far 0 99 0 - 9.2-22.1 HG12 ILE 68 - HD2 ARG 66 far 0 42 0 - 9.2-12.0 QG2 VAL 76 - HD3 ARG 17 far 0 96 0 - 9.4-34.2 QG1 VAL 76 - HD2 ARG 82 far 0 73 0 - 9.5-19.5 QG2 VAL 41 - HD3 ARG 66 far 0 31 0 - 9.6-11.4 QG2 VAL 41 - HD2 ARG 66 far 0 29 0 - 9.7-11.8 HG12 ILE 68 - HD2 ARG 26 far 0 98 0 - 9.7-13.5 QG2 VAL 76 - HD3 ARG 84 far 0 79 0 - 9.8-20.1 QG2 VAL 41 - HD3 ARG 27 far 0 78 0 - 9.9-12.6 QG2 ILE 40 - HD2 ARG 84 far 0 63 0 - 9.9-28.3 QG1 VAL 76 - HD2 ARG 66 far 0 42 0 - 10.0-16.3 Violated in 4 structures by 0.09 A. Peak 5100 from cnoeabs.peaks (0.84, 1.63, 27.31 ppm; 4.38 A): 3 out of 9 assignments used, quality = 0.94: QD2 LEU 29 + HG2 ARG 26 OK 65 88 85 86 3.3-6.1 5349/3.7=33, 5375/3.0=19...(15) QD2 LEU 64 + HG3 ARG 27 OK 62 100 65 96 2.7-5.7 5028/2.9=47, 5028/2.9=30...(14) QD2 LEU 64 + HG2 ARG 27 OK 53 100 55 96 2.5-5.8 5028/2.9=47, 5028/2.9=30...(14) QD2 LEU 29 - HG2 ARG 17 far 0 81 0 - 5.7-15.4 QD2 LEU 29 - HG2 ARG 27 far 0 100 0 - 5.8-7.8 QD2 LEU 29 - HG3 ARG 27 far 0 100 0 - 5.8-7.4 QD2 LEU 29 - HG3 ARG 17 far 0 82 0 - 6.1-15.5 QD2 LEU 64 - HG2 ARG 26 far 0 88 0 - 8.6-10.0 QD2 LEU 64 - HG3 ARG 70 far 0 72 0 - 9.3-12.6 Violated in 1 structures by 0.01 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 2.7-2.8 4248/582=96, 4583/2.2=90...(21) 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 2.7-3.7 4530=100, 2.1/4534=100...(26) 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 4.3-4.9 ~4877=64, ~4870=55...(22) HB2 ARG 17 - HD2 PRO 36 far 7 73 10 - 4.6-20.2 HB3 PRO 34 - HD2 PRO 36 far 0 97 0 - 7.3-8.3 HB3 PRO 14 - HD2 PRO 36 far 0 76 0 - 9.7-22.4 Violated in 0 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 1.9-3.8 4162=100, 4181/6128=59...(11) HA ARG 26 - QG2 THR 37 far 0 73 0 - 5.7-7.6 HA ARG 27 - QG2 THR 37 far 0 76 0 - 6.3-8.5 HA ARG 71 - QG2 THR 37 far 0 89 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 5107 from cnoeabs.peaks (8.20, 1.17, 22.48 ppm; 5.01 A): 4 out of 6 assignments used, quality = 1.00: H GLU 25 + QG2 THR 37 OK 100 100 100 100 2.6-5.7 2.9/4162=86, 523/4164=56...(9) H ALA 28 + QG2 THR 37 OK 94 96 100 98 3.5-5.6 2.9/6128=93...(10) H ARG 27 + QG2 THR 37 OK 24 76 40 77 4.7-6.9 5520/6128=49, 61/4162=19...(8) H SER 22 + QG2 THR 37 OK 21 97 45 48 2.9-7.7 1346/4164=23...(5) H ALA 77 - QG2 THR 37 far 0 71 0 - 6.9-20.2 H GLN 79 - QG2 THR 37 far 0 92 0 - 7.4-25.8 Violated in 0 structures by 0.00 A. Peak 5108 from cnoeabs.peaks (0.91, 1.78, 32.41 ppm; 4.48 A): 2 out of 21 assignments used, quality = 0.74: QG1 VAL 76 + HB3 LYS 75 OK 66 87 80 94 2.7-6.7 3.9/341=55, ~5853=35...(10) QG2 VAL 76 + HB3 LYS 75 OK 24 87 30 91 3.8-6.8 3.9/341=55, ~5853=35...(9) QG2 VAL 76 - HB3 LYS 73 poor 19 95 20 - 2.1-10.4 QG1 VAL 76 - HB3 LYS 73 poor 14 95 30 49 3.4-8.9 ~15432=40, 3.9/341=7...(4) QG2 VAL 41 - HB3 LYS 73 poor 14 69 20 - 3.9-6.2 HG LEU 51 - HB3 LYS 39 far 13 87 15 - 4.3-8.7 QG2 ILE 40 - HB3 LYS 39 far 4 83 5 - 5.3-6.8 QD1 LEU 86 - HB2 LYS 85 far 3 51 5 - 3.7-7.5 QD1 LEU 86 - HB2 LYS 83 far 0 69 0 - 6.0-12.1 QG2 ILE 40 - HB3 LYS 73 far 0 81 0 - 6.4-9.4 QG2 VAL 41 - HB3 LYS 39 far 0 71 0 - 6.4-7.6 QG2 VAL 41 - HB3 LYS 75 far 0 61 0 - 7.2-11.6 QG1 VAL 90 - HB2 LYS 85 far 0 70 0 - 8.9-14.9 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 9.0-13.7 QG2 VAL 76 - HB2 LYS 83 far 0 88 0 - 9.2-18.3 QG2 VAL 76 - HB2 LYS 13 far 0 94 0 - 9.4-41.0 QD2 LEU 62 - HB2 LYS 85 far 0 55 0 - 9.5-31.2 QD2 LEU 62 - HB2 LYS 83 far 0 73 0 - 9.6-28.6 QG2 VAL 90 - HB2 LYS 85 far 0 69 0 - 9.6-14.8 HG12 ILE 68 - HB3 LYS 39 far 0 97 0 - 9.9-12.8 QD2 LEU 62 - HB3 LYS 39 far 0 83 0 - 9.9-13.4 Violated in 7 structures by 0.07 A. Peak 5109 from cnoeabs.peaks (0.83, 1.78, 32.41 ppm; 4.23 A): 1 out of 16 assignments used, quality = 0.99: QD1 LEU 43 + HB3 LYS 39 OK 99 100 100 99 2.1-4.1 5357/3.0=60, 5206/2.9=52...(13) QD2 LEU 86 - HB2 LYS 85 poor 14 75 45 41 3.5-6.1 4.8/386=34, 3.1/1856=8 QD2 LEU 86 - HB2 LYS 83 far 9 94 10 - 4.6-12.4 QG2 ILE 68 - HB3 LYS 39 far 0 76 0 - 6.5-8.5 QD1 LEU 43 - HB2 LYS 13 far 0 99 0 - 6.6-27.8 QG2 ILE 68 - HB3 LYS 73 far 0 74 0 - 6.8-8.5 QD1 ILE 89 - HB2 LYS 83 far 0 71 0 - 7.4-18.5 QD1 ILE 89 - HB2 LYS 85 far 0 53 0 - 7.7-12.9 QG2 ILE 89 - HB2 LYS 85 far 0 70 0 - 8.2-12.9 QD2 LEU 64 - HB3 LYS 39 far 0 95 0 - 8.5-12.2 QD2 LEU 29 - HB2 LYS 13 far 0 92 0 - 8.8-19.4 QG2 ILE 68 - HB3 LYS 75 far 0 66 0 - 9.1-13.3 QG2 ILE 89 - HB2 LYS 83 far 0 89 0 - 9.5-18.9 QG2 ILE 89 - HB3 LYS 75 far 0 88 0 - 9.5-36.7 QD1 LEU 43 - HB3 LYS 73 far 0 99 0 - 9.7-12.7 QD2 LEU 29 - HB3 LYS 39 far 0 95 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 5110 from cnoeabs.peaks (0.91, 1.85, 32.41 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.84: QG1 VAL 76 + HB2 LYS 75 OK 72 81 95 94 2.3-5.7 3.9/340=65, 3.2/5853=35...(9) QG2 VAL 76 + HB2 LYS 75 OK 44 81 60 90 2.5-6.0 3.9/340=65, 3.2/5853=35...(8) HG LEU 51 - HB2 LYS 39 far 4 87 5 - 5.2-9.0 QG2 ILE 40 - HB2 LYS 39 far 0 83 0 - 5.7-6.5 QG2 VAL 41 - HB2 LYS 39 far 0 71 0 - 6.1-7.4 QG2 VAL 41 - HB2 LYS 75 far 0 55 0 - 6.5-11.5 HG12 ILE 68 - HB2 LYS 39 far 0 97 0 - 9.0-11.7 QG2 ILE 40 - HB2 LYS 75 far 0 66 0 - 9.7-13.6 Violated in 1 structures by 0.01 A. Peak 5111 from cnoeabs.peaks (0.83, 1.85, 32.41 ppm; 4.28 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 43 + HB2 LYS 39 OK 99 100 100 99 3.6-4.8 5357/3.0=62, 5206/2.9=53...(12) QG2 ILE 68 - HB2 LYS 39 far 0 76 0 - 6.2-7.8 QG2 ILE 68 - HB2 LYS 75 far 0 60 0 - 7.9-13.1 QD2 LEU 64 - HB2 LYS 39 far 0 95 0 - 8.4-11.3 QD2 LEU 29 - HB2 LYS 39 far 0 95 0 - 8.6-13.5 Violated in 6 structures by 0.04 A. Peak 5112 from cnoeabs.peaks (2.10, 1.78, 32.41 ppm; 4.31 A): 3 out of 10 assignments used, quality = 1.00: HG2 PRO 36 + HB3 LYS 39 OK 97 97 100 100 2.1-4.6 2.3/4877=66, 4870/2.9=56...(24) HG3 PRO 36 + HB3 LYS 39 OK 84 99 85 100 3.5-6.2 2.3/4877=66, ~4870=40...(23) HB2 PRO 36 + HB3 LYS 39 OK 20 81 25 100 4.1-6.2 4877=75, ~4870=35...(22) HB ILE 40 - HB3 LYS 39 far 0 83 0 - 5.6-6.8 HG3 PRO 36 - HB2 LYS 13 far 0 97 0 - 7.5-26.9 HG2 PRO 36 - HB2 LYS 13 far 0 95 0 - 7.9-27.6 HB ILE 40 - HB3 LYS 73 far 0 81 0 - 8.2-11.0 HG3 PRO 36 - HB2 LYS 83 far 0 91 0 - 9.4-44.5 HB3 PRO 44 - HB3 LYS 73 far 0 93 0 - 9.5-14.4 HB2 PRO 36 - HB2 LYS 13 far 0 78 0 - 9.8-26.2 Violated in 1 structures by 0.00 A. Peak 5113 from cnoeabs.peaks (2.10, 1.58, 28.78 ppm; 4.80 A): 5 out of 16 assignments used, quality = 1.00: HG2 PRO 36 + HD2 LYS 39 OK 97 97 100 100 3.0-5.2 4870/3.0=68, 5114/3.0=51...(28) HG2 PRO 36 + HD3 LYS 39 OK 97 97 100 100 2.0-5.1 4870/3.0=68, 5114/3.0=51...(29) HG3 PRO 36 + HD2 LYS 39 OK 84 99 85 100 4.2-6.7 ~4870=49, ~4894=49...(28) HG3 PRO 36 + HD3 LYS 39 OK 84 99 85 100 3.0-6.7 ~4870=49, ~4894=49...(29) HB2 PRO 36 + HD3 LYS 39 OK 68 81 85 100 3.9-6.9 4877/3.5=54, ~4870=43...(25) HB2 PRO 36 - HD2 LYS 39 far 8 81 10 - 5.1-7.4 HB ILE 40 - HD3 LYS 39 far 4 83 5 - 5.6-8.1 HB ILE 40 - HD2 LYS 39 far 0 83 0 - 5.8-8.5 HB3 PRO 44 - HD3 LYS 73 far 0 57 0 - 6.9-13.5 HB3 PRO 44 - HD2 LYS 73 far 0 57 0 - 7.0-12.8 HB ILE 40 - HD3 LYS 73 far 0 47 0 - 7.3-11.2 HB ILE 40 - HD2 LYS 73 far 0 47 0 - 7.8-12.1 HB2 PRO 56 - HD3 LYS 32 far 0 50 0 - 8.4-12.9 HG3 PRO 56 - HD3 LYS 32 far 0 52 0 - 9.0-12.3 HB2 PRO 56 - HD2 LYS 32 far 0 55 0 - 9.2-13.6 HG3 PRO 56 - HD2 LYS 32 far 0 57 0 - 9.6-12.7 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 21 assignments used, quality = 0.89: HG2 PRO 36 + HE2 LYS 39 OK 83 100 85 97 3.1-5.5 4870/3.6=47, 4873=34...(18) HG2 PRO 36 + HE3 LYS 39 OK 39 100 40 97 4.1-5.5 4870/3.6=47, 2.3/6089=30...(18) HG3 PRO 36 - HE2 LYS 39 poor 20 100 20 - 3.3-6.3 HG3 PRO 36 - HE3 LYS 39 far 10 100 10 - 4.6-6.9 HB3 MET 31 - HE2 LYS 32 far 2 41 5 - 5.0-9.9 HB3 PRO 44 - HE3 LYS 73 far 0 68 0 - 5.2-11.4 HB2 PRO 36 - HE2 LYS 39 far 0 65 0 - 5.3-7.5 HB3 MET 31 - HE3 LYS 32 far 0 42 0 - 5.6-10.1 HB ILE 40 - HE3 LYS 39 far 0 68 0 - 6.0-9.9 HB3 PRO 44 - HE2 LYS 73 far 0 71 0 - 6.1-11.5 HB2 PRO 36 - HE3 LYS 39 far 0 65 0 - 6.1-7.5 HB ILE 40 - HE2 LYS 39 far 0 68 0 - 6.2-10.1 HB ILE 40 - HE3 LYS 73 far 0 41 0 - 6.7-11.1 HB ILE 40 - HE2 LYS 73 far 0 43 0 - 7.3-9.9 HB2 PRO 56 - HE3 LYS 32 far 0 72 0 - 7.6-13.8 HB2 PRO 56 - HE2 LYS 32 far 0 69 0 - 8.2-14.5 HG3 PRO 56 - HE3 LYS 32 far 0 73 0 - 8.3-13.5 HG3 PRO 56 - HE2 LYS 32 far 0 71 0 - 8.4-14.2 HB3 PRO 44 - HE2 LYS 75 far 0 88 0 - 8.6-22.8 HB3 PRO 44 - HE3 LYS 75 far 0 86 0 - 9.5-23.0 HB3 PRO 44 - HE2 LYS 39 far 0 99 0 - 9.8-14.4 Violated in 10 structures by 0.09 A. Peak 5115 from cnoeabs.peaks (0.83, 2.98, 41.78 ppm; 4.04 A): 2 out of 21 assignments used, quality = 1.00: QD1 LEU 43 + HE3 LYS 39 OK 99 100 100 99 2.0-4.3 2.1/5116=68, 5206/3.6=42...(14) QD1 LEU 43 + HE2 LYS 39 OK 94 100 95 99 2.0-5.3 ~5116=48, 5206/3.6=42...(15) QD2 LEU 64 - HE2 LYS 32 far 0 65 0 - 6.7-10.3 QG2 ILE 68 - HE3 LYS 73 far 0 46 0 - 6.8-10.0 QG2 ILE 68 - HE2 LYS 39 far 0 76 0 - 6.8-10.1 QD1 LEU 43 - HE3 LYS 73 far 0 71 0 - 6.9-11.0 QD2 LEU 64 - HE3 LYS 32 far 0 67 0 - 7.1-10.2 QG2 ILE 68 - HE3 LYS 39 far 0 76 0 - 7.3-10.0 QG2 ILE 68 - HE2 LYS 73 far 0 48 0 - 7.4-9.3 QD2 LEU 29 - HE2 LYS 32 far 0 65 0 - 7.7-11.2 QD1 LEU 43 - HE2 LYS 73 far 0 73 0 - 7.8-10.6 QD2 LEU 29 - HE3 LYS 32 far 0 67 0 - 7.9-11.5 QD1 LEU 43 - HE3 LYS 13 far 0 93 0 - 8.0-28.0 QD2 LEU 29 - HE2 LYS 13 far 0 86 0 - 8.2-21.0 QD2 LEU 64 - HE2 LYS 39 far 0 95 0 - 8.3-13.4 QG2 ILE 68 - HE3 LYS 75 far 0 61 0 - 8.4-15.5 QD2 LEU 29 - HE3 LYS 13 far 0 85 0 - 8.6-20.2 QD1 LEU 43 - HE2 LYS 13 far 0 94 0 - 8.7-28.5 QG2 ILE 68 - HE2 LYS 75 far 0 63 0 - 9.1-15.2 QD2 LEU 64 - HE3 LYS 39 far 0 94 0 - 9.2-12.7 QD2 LEU 29 - HE2 LYS 39 far 0 95 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 5116 from cnoeabs.peaks (0.93, 2.98, 41.78 ppm; 4.18 A): 1 out of 32 assignments used, quality = 0.79: QD2 LEU 43 + HE3 LYS 39 OK 79 95 85 97 3.7-5.9 5213/3.0=49, 4909=47...(14) QD2 LEU 43 - HE2 LYS 39 far 14 96 15 - 2.4-6.1 QG2 VAL 76 - HE2 LYS 73 far 10 66 15 - 4.0-14.2 QG1 VAL 76 - HE3 LYS 73 far 10 63 15 - 4.4-12.4 QG1 VAL 76 - HE3 LYS 75 far 8 81 10 - 4.1-8.3 QG2 VAL 76 - HE3 LYS 75 far 8 81 10 - 5.0-9.2 QG2 VAL 76 - HE3 LYS 73 far 6 63 10 - 3.1-13.5 QG2 ILE 40 - HE2 LYS 39 far 5 100 5 - 5.1-9.5 QG2 ILE 40 - HE3 LYS 39 far 5 100 5 - 5.0-9.4 QG1 VAL 76 - HE2 LYS 75 far 4 83 5 - 4.9-7.9 QG2 VAL 41 - HE2 LYS 73 far 4 73 5 - 4.8-7.0 QG2 VAL 41 - HE3 LYS 73 far 4 71 5 - 4.7-6.9 QG1 VAL 76 - HE2 LYS 73 far 3 66 5 - 3.8-12.9 QG2 VAL 76 - HE2 LYS 75 far 0 83 0 - 5.1-8.9 QG2 ILE 40 - HE3 LYS 73 far 0 70 0 - 5.7-9.5 QG2 ILE 40 - HE2 LYS 73 far 0 73 0 - 5.9-8.6 QD2 LEU 43 - HE3 LYS 73 far 0 63 0 - 7.0-11.2 QG2 VAL 41 - HE3 LYS 75 far 0 88 0 - 7.1-13.0 QD2 LEU 43 - HE3 LYS 13 far 0 86 0 - 7.4-29.2 QD2 LEU 43 - HE2 LYS 73 far 0 66 0 - 7.5-10.5 QG2 VAL 41 - HE2 LYS 75 far 0 90 0 - 7.5-13.1 QG2 VAL 41 - HE3 LYS 39 far 0 100 0 - 7.7-9.3 QG2 VAL 41 - HE2 LYS 39 far 0 100 0 - 7.8-9.1 QD1 LEU 64 - HE2 LYS 32 far 0 50 0 - 8.2-12.4 QD2 LEU 43 - HE2 LYS 13 far 0 87 0 - 8.4-29.6 QD1 LEU 64 - HE2 LYS 39 far 0 78 0 - 8.8-14.1 QD1 LEU 64 - HE3 LYS 32 far 0 52 0 - 8.9-12.3 HG12 ILE 68 - HE2 LYS 39 far 0 96 0 - 9.6-13.9 QD2 LEU 62 - HE2 LYS 39 far 0 100 0 - 9.7-14.5 QD1 LEU 64 - HE3 LYS 39 far 0 78 0 - 9.8-14.4 QD2 LEU 62 - HE3 LYS 39 far 0 100 0 - 9.8-14.5 QG2 ILE 40 - HE3 LYS 75 far 0 88 0 - 9.8-16.3 Violated in 16 structures by 0.45 A. Peak 5117 from cnoeabs.peaks (0.93, 1.58, 28.78 ppm; 6.29 A): 6 out of 20 assignments used, quality = 1.00: QD2 LEU 43 + HD3 LYS 39 OK 87 87 100 100 2.7-6.0 5116/3.0=97, ~5206=73...(15) QD2 LEU 43 + HD2 LYS 39 OK 87 87 100 100 2.9-4.5 5116/3.0=97, ~5206=73...(15) QG2 ILE 40 + HD3 LYS 39 OK 85 100 90 95 4.2-8.0 5119/3.0=63...(7) QG2 ILE 40 + HD2 LYS 39 OK 81 100 85 95 4.7-7.9 5119/3.0=63...(7) QG2 VAL 41 + HD3 LYS 73 OK 57 60 95 100 3.7-7.2 5402/5.2=79, ~4904=79...(15) QG2 VAL 41 + HD2 LYS 73 OK 57 60 95 100 4.5-7.2 5402/5.2=79, ~4904=79...(15) QG2 VAL 76 - HD3 LYS 73 poor 18 61 30 - 1.9-12.9 QG2 ILE 40 - HD3 LYS 73 poor 16 62 25 - 5.8-9.6 QG2 VAL 41 - HD2 LYS 39 far 15 99 15 - 6.7-9.0 QG1 VAL 76 - HD3 LYS 73 lone 7 61 55 20 1.9-11.4 5846/3.5=10, ~5436=7, 3.9/1604=1 QG1 VAL 76 - HD2 LYS 73 lone 6 61 50 19 3.1-10.7 5846/3.5=10, ~5436=7 QG2 VAL 41 - HD3 LYS 39 far 5 99 5 - 6.9-8.6 QG2 VAL 76 - HD2 LYS 73 lone 2 61 35 10 2.0-12.2 ~5436=7 QG2 ILE 40 - HD2 LYS 73 lone 1 62 45 3 5.4-10.0 QD2 LEU 43 - HD2 LYS 73 far 0 48 0 - 8.2-12.5 QD2 LEU 43 - HD3 LYS 73 far 0 48 0 - 8.4-12.5 QD1 LEU 64 - HD2 LYS 32 far 0 32 0 - 9.4-11.4 QD2 LEU 62 - HD3 LYS 39 far 0 100 0 - 9.6-13.1 QD1 LEU 64 - HD3 LYS 39 far 0 63 0 - 9.7-12.7 HG12 ILE 68 - HD3 LYS 39 far 0 99 0 - 9.9-12.4 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 12 assignments used, quality = 1.00: QD1 LEU 43 + HD3 LYS 39 OK 100 100 100 100 2.3-5.0 5111/3.5=69, 5206/3.0=67...(21) QD1 LEU 43 + HD2 LYS 39 OK 100 100 100 100 1.9-4.3 2.1/5213=70, 5111/3.5=69...(21) QG2 ILE 68 - HD3 LYS 73 far 0 40 0 - 6.7-9.9 QG2 ILE 68 - HD3 LYS 39 far 0 76 0 - 6.9-8.6 QG2 ILE 68 - HD2 LYS 73 far 0 40 0 - 7.2-10.2 QG2 ILE 68 - HD2 LYS 39 far 0 76 0 - 7.3-9.3 QD2 LEU 64 - HD2 LYS 32 far 0 55 0 - 7.4-9.1 QD1 LEU 43 - HD3 LYS 73 far 0 63 0 - 8.1-12.4 QD1 LEU 43 - HD2 LYS 73 far 0 63 0 - 8.3-12.6 QD2 LEU 29 - HD2 LYS 32 far 0 55 0 - 8.5-10.5 QD2 LEU 29 - HD3 LYS 39 far 0 95 0 - 9.2-13.6 QD2 LEU 64 - HD3 LYS 39 far 0 95 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 5119 from cnoeabs.peaks (0.91, 1.55, 25.35 ppm; 4.72 A): 1 out of 4 assignments used, quality = 0.47: QG2 ILE 40 + HG2 LYS 39 OK 47 76 85 73 4.8-7.7 4301/6087=27...(9) HG LEU 51 - HG2 LYS 39 far 14 92 15 - 4.9-7.0 QG2 VAL 41 - HG2 LYS 39 far 0 63 0 - 6.1-8.9 HG12 ILE 68 - HG2 LYS 39 far 0 93 0 - 8.5-11.9 Violated in 20 structures by 0.59 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 3.4-4.5 2.2/4325=68, 4323/3.2=47...(17) Violated in 10 structures by 0.10 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 4.4-5.2 5122/3.0=56, 2.2/5608=55...(12) HZ PHE 48 - HA ILE 40 far 0 99 0 - 5.8-6.8 HZ PHE 35 - HA ILE 40 far 0 98 0 - 6.3-7.2 HD22 ASN 42 - HA ILE 40 far 0 89 0 - 7.8-8.7 Violated in 9 structures by 0.09 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 2.9-3.9 3.0/5125=77, 621/4372=71...(8) HB ILE 33 - HA ILE 40 far 0 63 0 - 9.1-10.0 HG3 ARG 71 - HA ILE 40 far 0 97 0 - 9.2-12.3 HB2 ARG 54 - HA ILE 40 far 0 71 0 - 9.5-10.7 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 4.4-5.5 1.8/5123=87, 3.0/5125=83...(7) HG3 LYS 39 + HA ILE 40 OK 71 76 95 99 2.9-6.6 ~5119=58, ~129=56...(9) Violated in 0 structures by 0.00 A. Peak 5125 from cnoeabs.peaks (1.99, 3.63, 64.52 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.97: HG LEU 43 + HA ILE 40 OK 97 100 100 97 4.4-5.1 623/4372=65, 3.0/5123=55...(7) HG3 PRO 14 - HA ILE 40 far 0 99 0 - 7.1-31.0 HG2 PRO 14 - HA ILE 40 far 0 99 0 - 7.2-29.8 HG2 ARG 66 - HA ILE 40 far 0 83 0 - 8.2-11.6 HB3 GLN 79 - HA ILE 40 far 0 100 0 - 9.8-30.9 Violated in 5 structures by 0.04 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 2 assignments used, quality = 0.92: QD PHE 48 + QG2 ILE 40 OK 92 92 100 100 2.0-3.0 2.2/4323=89...(31) QD TYR 81 - QG2 ILE 40 far 0 68 0 - 9.3-20.1 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 5 assignments used, quality = 0.94: HA ARG 69 + QG2 VAL 41 OK 94 97 100 98 2.0-3.2 4769=34, 5492/5055=32...(24) HA ILE 40 - QG2 VAL 41 poor 20 99 20 - 4.5-4.8 HA VAL 65 - QG2 VAL 41 far 0 98 0 - 5.9-7.0 HD3 PRO 44 - QG2 VAL 41 far 0 60 0 - 8.7-9.2 HD3 PRO 14 - QG2 VAL 41 far 0 76 0 - 9.8-28.5 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 97 100 100 97 2.3-2.3 919/4431=72, 5132/1.8=38...(9) H PHE 48 + HB3 PRO 44 OK 94 99 100 95 4.4-4.7 171/4431=71, 640/3.0=33...(7) Violated in 0 structures by 0.00 A. Peak 5132 from cnoeabs.peaks (8.77, 2.48, 32.30 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.99: H ASP 46 + HB2 PRO 44 OK 97 100 100 97 4.0-4.1 919/4392=63, 4.6/156=55...(5) H PHE 48 + HB2 PRO 44 OK 75 100 80 94 5.5-5.8 171/4392=63, 5131/1.8=43...(5) 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 2.0-3.6 4397/2.3=87, 638/6063=85...(14) 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 2.9-4.7 4397/2.3=92, 638/6064=86...(11) Violated in 0 structures by 0.00 A. Peak 5136 from cnoeabs.peaks (0.82, 7.07, 131.51 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: QD1 LEU 43 + QD PHE 48 OK 97 97 100 100 3.3-4.3 2.1/4919=99, 4370=98...(19) QG2 ILE 68 + QD PHE 48 OK 93 94 100 98 5.3-6.7 5249/5619=79...(10) QG1 VAL 41 + QD PHE 48 OK 34 69 100 49 6.1-7.3 4350/5613=28...(3) QD2 LEU 64 - QD PHE 48 far 0 72 0 - 8.4-9.6 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 3.6-4.5 3.7/4523=93, 4625/3.1=81...(12) 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 2.6-4.3 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): 2 out of 2 assignments used, quality = 1.00: H ARG 54 + HA LEU 52 OK 100 100 100 100 3.6-4.9 4966=85, 926/3.6=82...(9) H LEU 51 + HA LEU 52 OK 97 99 100 98 5.2-5.5 924/3.0=85, 4943/3.6=61...(5) 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 2.9-4.0 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 3.4-4.3 4581=98, 4973/3.6=70...(9) H GLN 61 - HA LEU 52 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 5144 from cnoeabs.peaks (0.62, 1.76, 30.94 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + HB2 ARG 54 OK 100 100 100 100 2.7-4.1 2245/5219=84, 4517=78...(11) QD1 LEU 51 + HB2 PRO 34 OK 28 50 65 86 5.0-7.7 4534/5707=62...(5) 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 3.6-5.1 4647/4644=85...(12) Violated in 0 structures by 0.00 A. Peak 5146 from cnoeabs.peaks (0.18, 1.76, 30.94 ppm; 6.18 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 51 + HB2 ARG 54 OK 92 92 100 100 5.0-5.8 4.0/5219=90, ~5145=80...(10) QD2 LEU 51 + HB2 PRO 34 OK 20 42 50 95 6.0-8.6 4568/5707=83...(5) 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 2.0-4.3 2.1/4655=100...(26) 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 5 assignments used, quality = 1.00: HB3 ARG 54 + QD TYR 55 OK 100 100 100 100 2.5-3.5 4644/2.2=100, 213/687=97...(23) HG3 ARG 54 + QD TYR 55 OK 68 68 100 100 4.7-5.6 1.8/4968=94, 3.7/4662=89...(27) HG2 LYS 39 - QD TYR 55 far 15 100 15 - 6.4-8.3 HG LEU 62 - QD TYR 55 far 0 90 0 - 7.3-8.3 HG LEU 64 - QD TYR 55 far 0 97 0 - 9.8-12.5 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 3.1-5.0 2.1/4590=75, 4586/1.8=74...(20) QD1 ILE 40 - HB3 TYR 55 far 0 78 0 - 8.0-9.3 Violated in 1 structures by 0.02 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 2.0-3.1 4584=99, 4587/2.1=88...(19) 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 2.1-4.4 1.8/4584=93, 4590/2.1=88...(19) HB3 PHE 35 - HG LEU 57 far 0 81 0 - 6.8-7.7 HE3 LYS 32 - HG LEU 57 far 0 76 0 - 8.8-14.1 HE2 LYS 32 - HG LEU 57 far 0 78 0 - 9.7-14.6 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 2.7-4.0 4587=100, 2.5/4636=86...(20) 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 3.3-4.9 2.1/4613=98, 3.1/4986=78...(14) 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 2.3-5.0 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; 3.86 A): 3 out of 7 assignments used, quality = 0.95: HB3 GLN 61 + QD2 LEU 64 OK 87 93 100 93 2.1-4.4 3.0/4504=40, 1.8/5311=25...(14) HG3 ARG 27 + QD2 LEU 64 OK 39 95 45 92 2.7-5.7 2.9/5028=38, 2.9/5028=25...(14) HG2 ARG 27 + QD2 LEU 64 OK 34 93 40 92 2.5-5.8 2.9/5028=38, 2.9/5028=25...(14) HG LEU 29 - QD2 LEU 64 far 0 60 0 - 6.1-7.0 HG2 ARG 71 - QD2 LEU 64 far 0 68 0 - 7.3-10.7 HG2 ARG 23 - QD2 LEU 64 far 0 71 0 - 7.8-11.7 HG2 ARG 26 - QD2 LEU 64 far 0 73 0 - 8.6-10.0 Violated in 7 structures by 0.04 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 2.9-4.2 2.1/4173=59...(16) HG3 LYS 32 - QD2 LEU 64 far 0 97 0 - 6.6-8.1 QB ALA 16 - QD2 LEU 64 far 0 81 0 - 6.8-17.0 QG2 THR 58 - QD2 LEU 64 far 0 68 0 - 6.9-8.9 HB2 LEU 52 - QD2 LEU 64 far 0 100 0 - 8.2-9.8 HB2 LEU 51 - QD2 LEU 64 far 0 89 0 - 9.4-12.0 Violated in 11 structures by 0.08 A. Peak 5163 from cnoeabs.peaks (1.95, 1.21, 23.08 ppm; 4.67 A): 4 out of 8 assignments used, quality = 1.00: HG LEU 57 + QG2 VAL 65 OK 99 100 100 99 4.4-5.5 ~4707=50, 2.1/4725=48...(13) HB2 LEU 64 + QG2 VAL 65 OK 83 83 100 100 3.2-5.5 3.1/5965=77, 266/2669=67...(17) HG13 ILE 68 + QG2 VAL 65 OK 59 63 95 99 4.8-5.8 ~4761=47, 5044/3.2=37...(18) HB3 ARG 66 + QG2 VAL 65 OK 34 97 35 98 5.0-6.3 742/4.1=68, 3.0/5244=67...(9) HB2 MET 31 - QG2 VAL 65 far 14 90 15 - 5.2-6.8 HB3 ARG 70 - QG2 VAL 65 far 0 100 0 - 8.3-11.2 HB VAL 41 - QG2 VAL 65 far 0 78 0 - 8.9-10.7 HB2 ARG 70 - QG2 VAL 65 far 0 100 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 5164 from cnoeabs.peaks (1.90, 1.23, 22.65 ppm; 4.32 A): 3 out of 6 assignments used, quality = 1.00: HB ILE 68 + QG1 VAL 65 OK 99 100 100 100 3.1-4.5 2.1/5964=55, 4704/3.2=42...(20) HG12 ILE 40 + QG1 VAL 65 OK 95 100 95 100 3.0-5.2 3.2/5034=57, 2.1/5035=54...(22) HG13 ILE 68 + QG1 VAL 65 OK 60 76 80 99 4.7-5.6 3.2/5964=46, ~4761=40...(17) HB2 ARG 66 - QG1 VAL 65 far 11 71 15 - 4.3-6.1 HB VAL 41 - QG1 VAL 65 far 0 60 0 - 7.4-9.5 HB3 PRO 34 - QG1 VAL 65 far 0 65 0 - 8.1-10.1 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 2.0-5.0 5370/1.8=100...(11) HA GLU 59 - HG3 ARG 66 lone 1 83 30 3 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 5166 from cnoeabs.peaks (4.07, 3.19, 43.48 ppm; 4.54 A): 6 out of 32 assignments used, quality = 1.00: HA ALA 63 + HD3 ARG 66 OK 84 99 85 100 2.4-5.6 4684/3.4=66, 5370/3.0=62...(11) HA ALA 63 + HD2 ARG 66 OK 79 99 80 100 2.7-5.8 4684/3.4=66, 5370/3.0=62...(11) HA ARG 71 + HD3 ARG 71 OK 55 55 100 100 2.6-5.2 4.7=92, 2902/1.8=81...(42) HA ARG 26 + HD3 ARG 26 OK 53 53 100 100 2.7-4.6 4.8=85, 2901/3.0=44...(57) HA ARG 26 + HD2 ARG 26 OK 52 52 100 100 3.2-5.0 4.8=85, 2901/3.0=44...(56) HA ARG 71 + HD3 ARG 70 OK 35 90 40 97 5.1-7.2 ~307=37, 5395/3.0=28...(20) HA ARG 71 - HD2 ARG 70 far 9 87 10 - 4.9-7.8 HA ARG 26 - HD3 ARG 27 far 0 45 0 - 5.8-9.0 HA ARG 26 - HD2 ARG 27 far 0 45 0 - 5.8-8.1 HA GLU 25 - HD2 ARG 27 far 0 33 0 - 6.0-9.0 HA GLU 25 - HD3 ARG 71 far 0 42 0 - 6.2-14.5 HA GLU 59 - HD3 ARG 66 far 0 71 0 - 6.4-9.8 HA GLU 25 - HD3 ARG 26 far 0 39 0 - 6.6-8.3 HA GLU 59 - HD2 ARG 66 far 0 71 0 - 6.6-9.8 HA ALA 63 - HD2 ARG 70 far 0 85 0 - 6.7-13.5 HA ARG 26 - HD3 ARG 23 far 0 38 0 - 6.7-11.0 HA GLU 25 - HD3 ARG 27 far 0 33 0 - 6.9-8.9 HA ARG 26 - HD2 ARG 23 far 0 38 0 - 7.0-10.6 HA ALA 63 - HD3 ARG 70 far 0 89 0 - 7.4-13.4 HA GLU 25 - HD2 ARG 26 far 0 38 0 - 7.6-8.2 HA ARG 71 - HD2 ARG 23 far 0 37 0 - 7.7-16.0 HA ARG 71 - HD3 ARG 23 far 0 37 0 - 7.8-14.8 HA GLU 25 - HD3 ARG 23 far 0 28 0 - 7.9-11.0 HA GLU 25 - HD2 ARG 23 far 0 28 0 - 8.2-10.8 HA ALA 63 - HD3 ARG 27 far 0 42 0 - 8.4-13.9 HA ALA 63 - HD2 ARG 27 far 0 42 0 - 8.6-12.6 HA ARG 26 - HD2 ARG 17 far 0 30 0 - 9.3-21.5 HA ARG 26 - HD3 ARG 17 far 0 30 0 - 9.6-20.5 HA ARG 71 - HD2 ARG 27 far 0 43 0 - 9.6-15.0 HA GLU 25 - HD2 ARG 17 far 0 21 0 - 9.9-19.2 HA GLU 25 - HD3 ARG 17 far 0 21 0 - 9.9-17.9 HA ARG 26 - HD3 ARG 71 far 0 56 0 - 10.0-17.3 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 4 assignments used, quality = 1.00: HA ALA 63 + HG2 ARG 66 OK 100 100 100 100 2.4-4.5 5370=100, 4684/2.8=88...(10) HA ARG 71 - HB3 GLN 79 far 0 83 0 - 6.3-24.2 HA GLU 59 - HG2 ARG 66 far 0 83 0 - 6.4-9.3 HA ARG 71 - HG2 ARG 66 far 0 97 0 - 9.2-13.4 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 4.8-5.8 3.2/5044=89, ~4761=78...(20) QG2 THR 37 + HG13 ILE 68 OK 63 63 100 100 4.8-6.9 ~4763=75, ~4882=58...(15) HG13 ILE 33 + HG13 ILE 68 OK 57 83 95 72 5.8-7.6 ~5376=64, 4853/6103=17 Violated in 0 structures by 0.00 A. Peak 5170 from cnoeabs.peaks (0.94, 1.61, 28.78 ppm; 5.51 A): 6 out of 27 assignments used, quality = 0.99: QG2 VAL 41 + HD2 LYS 73 OK 70 100 70 100 4.5-7.2 ~4904=64, 5402/5.2=62...(15) QD2 LEU 43 + HD2 LYS 39 OK 61 61 100 100 2.9-4.5 5116/3.0=90, ~5206=58...(15) QD2 LEU 43 + HD3 LYS 39 OK 58 58 100 100 2.7-6.0 5116/3.0=90, 5213/1.8=80...(15) HG12 ILE 68 + HG2 ARG 71 OK 49 89 75 74 4.0-8.4 4.0/5045=43, 5816/5.0=15...(8) QG2 VAL 41 + HG2 ARG 71 OK 46 98 55 85 3.6-7.6 5055/5.0=66, 5834/5.0=36...(7) QG2 VAL 41 + HD3 LYS 73 OK 35 100 35 100 3.7-7.2 ~4904=64, 5402/5.2=62...(15) QG2 ILE 40 - HD3 LYS 73 far 15 100 15 - 5.8-9.6 QG1 VAL 76 - HG2 ARG 71 far 13 89 15 - 3.9-13.9 QG2 ILE 40 - HD2 LYS 73 far 10 100 10 - 5.4-10.0 QG2 ILE 40 - HG2 ARG 71 poor 10 97 30 34 4.9-8.8 5830/771=12, 5834/5.0=9...(4) QG2 ILE 40 - HD2 LYS 39 far 6 64 10 - 4.7-7.9 QG1 VAL 76 - HD3 LYS 73 lone 6 93 40 17 1.9-11.4 ~5436=6, 5846/3.5=5...(4) QG2 ILE 40 - HD3 LYS 39 far 6 62 10 - 4.2-8.0 QG2 VAL 76 - HG2 ARG 71 far 4 89 5 - 5.9-14.3 QG1 VAL 76 - HD2 LYS 73 lone 4 93 30 14 3.1-10.7 ~5436=6, 5846/3.5=5, 5850/2920=2 QG2 VAL 76 - HD3 LYS 73 lone 3 93 30 12 1.9-12.9 ~5436=6, 3.9/1604=3, 5850/2920=2 QG2 VAL 76 - HD2 LYS 73 lone 3 93 30 9 2.0-12.2 ~5436=6, 5850/2920=2 QD1 LEU 64 - HG2 ARG 71 lone 1 78 40 2 5.0-8.2 QG2 VAL 41 - HD2 LYS 39 far 0 65 0 - 6.7-9.0 QG2 VAL 41 - HD3 LYS 39 far 0 63 0 - 6.9-8.6 QD2 LEU 43 - HD2 LYS 73 far 0 97 0 - 8.2-12.5 QD2 LEU 43 - HD3 LYS 73 far 0 97 0 - 8.4-12.5 QD1 LEU 64 - HD2 LYS 32 far 0 83 0 - 9.4-11.4 QD1 LEU 64 - HD3 LYS 32 far 0 83 0 - 9.4-11.0 QD2 LEU 62 - HD3 LYS 39 far 0 62 0 - 9.6-13.1 QD1 LEU 64 - HD3 LYS 39 far 0 45 0 - 9.7-12.7 HG12 ILE 68 - HD3 LYS 39 far 0 54 0 - 9.9-12.4 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 22 assignments used, quality = 1.00: QG1 VAL 41 + HD2 LYS 73 OK 83 83 100 100 2.4-5.2 4904/2.9=66, 4346/3.5=58...(15) QG1 VAL 41 + HD3 LYS 73 OK 83 83 100 100 2.0-5.5 4904/2.9=66, 4346/3.5=58...(15) QG2 ILE 68 + HG2 ARG 71 OK 67 96 75 94 3.2-7.2 ~5985=40, 3.2/5045=39...(15) QD1 LEU 43 + HD2 LYS 39 OK 56 56 100 100 1.9-4.3 5111/3.5=57, ~5116=53...(19) QD1 LEU 43 + HD3 LYS 39 OK 54 54 100 100 2.3-5.0 ~5213=57, 5111/3.5=57...(19) QG1 VAL 41 - HG2 ARG 71 poor 16 78 20 - 5.3-8.8 QG2 ILE 68 - HD3 LYS 73 far 0 99 0 - 6.7-9.9 QG2 ILE 68 - HD3 LYS 39 far 0 60 0 - 6.9-8.6 QG2 ILE 68 - HD2 LYS 73 far 0 99 0 - 7.2-10.2 QG2 ILE 68 - HD2 LYS 39 far 0 63 0 - 7.3-9.3 QD2 LEU 64 - HG2 ARG 71 far 0 56 0 - 7.3-10.7 QD2 LEU 64 - HD2 LYS 32 far 0 60 0 - 7.4-9.1 QD2 LEU 64 - HD3 LYS 32 far 0 60 0 - 7.5-9.1 QD2 LEU 29 - HD3 LYS 32 far 0 60 0 - 7.8-10.8 QG1 VAL 41 - HD3 LYS 39 far 0 45 0 - 7.9-9.9 QD1 LEU 43 - HD3 LYS 73 far 0 93 0 - 8.1-12.4 QG1 VAL 41 - HD2 LYS 39 far 0 47 0 - 8.2-9.8 QD1 LEU 43 - HD2 LYS 73 far 0 93 0 - 8.3-12.6 QD2 LEU 29 - HD2 LYS 32 far 0 60 0 - 8.5-10.5 QD2 LEU 29 - HD3 LYS 39 far 0 31 0 - 9.2-13.6 QD2 LEU 64 - HD3 LYS 39 far 0 31 0 - 9.2-11.9 QD2 LEU 29 - HG2 ARG 71 far 0 56 0 - 9.5-14.3 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 2.9-4.4 4301/1942=78...(17) 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 4.8-6.4 2.1/4301=100, ~5173=72...(18) Violated in 0 structures by 0.00 A. Peak 5177 from cnoeabs.peaks (1.01, 0.62, 23.89 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.82: QD1 LEU 57 + QD1 LEU 51 OK 69 97 95 74 2.9-5.7 5730/4946=34...(8) QD1 ILE 40 + QD1 LEU 51 OK 42 71 60 99 4.9-6.3 5173/2.1=44, ~4301=42...(16) QG1 VAL 45 - QD1 LEU 51 far 0 83 0 - 8.9-9.8 Violated in 3 structures by 0.04 A. Peak 5178 from cnoeabs.peaks (1.88, 0.19, 24.73 ppm; 5.16 A): 2 out of 8 assignments used, quality = 0.91: HB2 LYS 39 + QD2 LEU 51 OK 77 81 95 100 2.9-6.2 1.8/5205=87, 5204=79...(13) HG12 ILE 40 + QD2 LEU 51 OK 60 60 100 100 2.6-5.1 2.1/5173=65, 3.2/4301=64...(16) HB ILE 68 - QD2 LEU 51 far 0 81 0 - 6.2-7.3 HB3 PRO 34 - QD2 LEU 51 far 0 100 0 - 6.9-8.7 HB2 ARG 66 - QD2 LEU 51 far 0 100 0 - 8.3-9.9 HB2 MET 11 - QD2 LEU 51 far 0 98 0 - 8.4-31.7 HB3 PRO 14 - QD2 LEU 51 far 0 97 0 - 8.8-24.4 HB2 ARG 71 - QD2 LEU 51 far 0 76 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5186 from cnoeabs.peaks (0.80, 4.09, 58.48 ppm; 4.90 A): 3 out of 10 assignments used, quality = 0.89: QD1 ILE 68 + HA GLU 25 OK 68 92 85 87 3.9-6.1 4758/4181=73...(5) QG2 ILE 68 + HA GLU 25 OK 50 95 70 76 3.8-6.7 4754/5105=69...(4) QG2 ILE 68 + HA ARG 71 OK 32 84 40 95 5.0-7.0 ~15389=38, ~5389=38...(14) QD1 ILE 68 - HA ARG 27 poor 19 46 40 - 4.8-6.8 QG1 VAL 41 - HA ARG 71 far 0 93 0 - 6.0-7.1 QD1 ILE 68 - HA ARG 26 far 0 67 0 - 6.6-8.4 QG2 ILE 68 - HA ARG 27 far 0 48 0 - 6.9-9.2 QG2 ILE 68 - HA ARG 26 far 0 70 0 - 7.5-10.1 QD1 ILE 68 - HA ARG 71 far 0 81 0 - 7.7-9.0 QG1 VAL 41 - HA GLU 25 far 0 100 0 - 8.9-10.9 Violated in 4 structures by 0.03 A. Peak 5187 from cnoeabs.peaks (4.48, 1.85, 30.20 ppm; 3.98 A): 5 out of 14 assignments used, quality = 1.00: HA ASP 24 + HB2 ARG 27 OK 93 100 100 93 2.3-4.2 4157=48, 5383/4.1=42...(14) HA ASP 24 + HB3 ARG 27 OK 78 100 85 92 3.3-5.6 5383/4.1=42, 4157/1.8=41...(13) HA ASP 67 + HB2 ARG 66 OK 55 58 100 95 4.3-4.8 4742/1.8=33, 3.0/278=28...(16) HA ASP 24 + HB3 ARG 23 OK 49 83 75 79 3.8-5.7 3.0/45=32, 4157=29...(10) HA ASP 24 + HB2 ARG 23 OK 44 82 70 78 4.1-5.6 3.0/45=32, 4157/1.8=25...(10) HA ASP 67 - HB3 ARG 71 poor 20 99 20 - 4.0-8.6 HA ASP 24 - HB2 ARG 26 poor 16 56 40 70 4.4-7.5 4169/3.9=39, 5383/4.6=36 HA ASP 67 - HB2 ARG 71 far 15 98 15 - 4.4-7.3 HA ASP 24 - HB2 ARG 71 far 5 100 5 - 4.3-8.8 HA ASP 24 - HB3 ARG 71 far 5 100 5 - 4.4-9.1 HA ASP 24 - HB3 ARG 26 far 0 54 0 - 6.1-7.4 HA ASP 67 - HB3 ARG 27 far 0 99 0 - 8.7-11.1 HA ASP 67 - HB2 ARG 27 far 0 99 0 - 8.7-10.8 HA ASP 67 - HB3 ARG 23 far 0 79 0 - 9.6-16.2 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 = 0.91: H ILE 33 + HA LEU 29 OK 91 92 100 99 3.3-4.5 5179=91, 5303/4183=49...(6) 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 2.1-3.5 5080=89, 3.3/1529=62...(10) HB2 LEU 64 - HA MET 31 far 0 73 0 - 6.1-7.6 HG3 PRO 14 - HA MET 31 far 0 97 0 - 8.9-28.1 HG2 PRO 14 - HA MET 31 far 0 97 0 - 9.3-27.0 Violated in 0 structures by 0.00 A. Peak 5190 from cnoeabs.peaks (2.00, 2.63, 32.57 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.99: QE MET 31 + HG2 MET 31 OK 99 99 100 100 2.3-3.4 3.3=100 HB2 LEU 64 - HG2 MET 31 poor 18 73 25 - 3.3-6.1 Violated in 0 structures by 0.00 A. Peak 5191 from cnoeabs.peaks (2.00, 2.52, 32.57 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.98: QE MET 31 + HG3 MET 31 OK 97 97 100 100 2.5-3.4 3.3=100 HB2 LEU 64 + HG3 MET 31 OK 44 60 75 98 3.2-6.0 3.1/4200=51, ~4198=34...(19) 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 7 assignments used, quality = 1.00: QB ALA 28 + QG2 ILE 33 OK 100 100 100 100 2.5-4.2 4180/2.1=88, 4179=71...(16) QB ALA 16 - QG2 ILE 33 far 0 73 0 - 5.5-15.5 HB2 LEU 51 - QG2 ILE 33 far 0 93 0 - 6.3-8.3 QG2 THR 58 - QG2 ILE 33 far 0 76 0 - 6.9-9.0 HB2 LEU 52 - QG2 ILE 33 far 0 100 0 - 7.4-8.4 HG3 LYS 32 - QG2 ILE 33 far 0 99 0 - 7.5-8.1 HG2 ARG 54 - QG2 ILE 33 far 0 60 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 5196 from cnoeabs.peaks (1.33, 0.71, 10.77 ppm; 3.70 A): 1 out of 7 assignments used, quality = 0.95: QB ALA 28 + QD1 ILE 33 OK 95 100 95 100 3.7-4.6 4178=63, 4180/3.2=56...(17) QG2 THR 58 - QD1 ILE 33 far 0 76 0 - 5.2-7.5 HG3 LYS 32 - QD1 ILE 33 far 0 99 0 - 5.7-7.2 QB ALA 16 - QD1 ILE 33 far 0 73 0 - 6.0-16.9 HB2 LEU 52 - QD1 ILE 33 far 0 100 0 - 7.2-8.3 HB2 LEU 51 - QD1 ILE 33 far 0 93 0 - 7.9-10.0 QB ALA 12 - QD1 ILE 33 far 0 100 0 - 9.9-21.7 Violated in 19 structures by 0.47 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 10 100 10 - 4.1-6.2 QG2 THR 15 - QG2 ILE 33 far 0 90 0 - 6.9-16.9 HG LEU 52 - QG2 ILE 33 far 0 83 0 - 7.4-8.6 Violated in 20 structures by 2.06 A. Peak 5198 from cnoeabs.peaks (6.95, 3.54, 50.48 ppm; 5.53 A): 3 out of 5 assignments used, quality = 1.00: QE PHE 35 + HD3 PRO 34 OK 100 100 100 100 4.1-4.3 4687/1.8=97, 4583/4.1=83...(25) HZ PHE 35 + HD3 PRO 34 OK 100 100 100 100 5.5-6.0 ~4687=73, 4596/4.1=70...(15) QE PHE 35 + HD3 PRO 36 OK 45 45 100 100 5.9-6.0 ~5578=69, ~4650=67...(9) HZ PHE 35 - HD3 PRO 36 far 0 45 0 - 7.6-7.7 HD22 ASN 42 - HD3 PRO 36 far 0 42 0 - 9.8-11.1 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 2.6-3.0 2.2/4649=77, 4583/4.1=76...(26) HZ PHE 35 + HD2 PRO 34 OK 100 100 100 100 3.8-4.3 4596/4.1=63...(15) 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 92 97 100 95 3.3-4.6 4.4/4371=56, 4.1/5790=54...(7) HB2 ASN 42 + HA LYS 39 OK 91 96 100 95 1.9-3.2 4.4/4371=56, 4.1/5790=54...(7) 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 = 0.84: QD1 LEU 51 + HB2 LYS 39 OK 84 89 95 100 3.7-6.7 2.1/5204=93, ~5205=74...(12) Violated in 14 structures by 0.36 A. Peak 5204 from cnoeabs.peaks (0.20, 1.85, 32.41 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.83: QD2 LEU 51 + HB2 LYS 39 OK 83 98 85 100 2.9-6.2 5205/1.8=69...(13) Violated in 16 structures by 0.52 A. Peak 5205 from cnoeabs.peaks (0.19, 1.78, 32.41 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.85: QD2 LEU 51 + HB3 LYS 39 OK 85 100 85 100 2.0-6.0 5204/1.8=68, 4515=65...(13) QD2 LEU 51 - HB2 LYS 13 far 0 98 0 - 8.8-26.3 Violated in 14 structures by 0.28 A. Peak 5206 from cnoeabs.peaks (0.84, 1.40, 25.35 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 43 + HG3 LYS 39 OK 99 99 100 100 1.9-4.0 5111/2.9=75...(16) QG2 ILE 68 - HG3 LYS 39 far 3 63 5 - 5.7-8.5 QD2 LEU 64 - HG3 LYS 39 far 0 99 0 - 8.9-11.0 QD2 LEU 29 - HG3 LYS 39 far 0 99 0 - 9.6-14.5 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 3.4-4.9 2.3/4870=95, 5208/1.8=93...(22) HA VAL 41 - HG3 LYS 39 far 0 96 0 - 6.8-9.1 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 2.5-4.0 5207/1.8=66, ~4870=64...(28) HA VAL 41 - HG2 LYS 39 far 0 99 0 - 7.3-9.9 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 1.9-5.6 ~4870=60, ~4894=59...(28) HD3 PRO 36 + HD2 LYS 39 OK 83 83 100 100 3.4-5.2 ~4870=60, ~4894=59...(27) HD3 PRO 34 - HD2 LYS 32 far 3 61 5 - 6.2-8.7 HD3 PRO 34 - HD3 LYS 39 far 0 99 0 - 9.1-13.0 HD3 PRO 34 - HD2 LYS 39 far 0 99 0 - 9.4-13.0 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 = 0.78: HA VAL 41 + QG2 ILE 40 OK 78 78 100 99 3.5-4.0 3.0/3816=51, 1968=38...(22) HD3 PRO 36 - QG2 ILE 40 far 0 97 0 - 7.3-8.4 HD3 PRO 34 - QG2 ILE 40 far 0 90 0 - 9.1-10.7 Violated in 4 structures by 0.01 A. Peak 5212 from cnoeabs.peaks (4.25, 0.93, 18.83 ppm; 5.35 A): 2 out of 7 assignments used, quality = 0.99: HA LYS 39 + QG2 ILE 40 OK 98 100 100 98 6.0-6.1 3.6/1936=83...(8) HB THR 37 + QG2 ILE 40 OK 78 78 100 100 4.9-6.2 3.0/4310=88, 4282/3.0=66...(16) HA LEU 64 - QG2 ILE 40 far 0 92 0 - 6.6-7.6 HA ALA 20 - QG2 ILE 40 far 0 90 0 - 8.6-16.6 HA LYS 75 - QG2 ILE 40 far 0 100 0 - 9.5-13.4 HA GLU 19 - QG2 ILE 40 far 0 96 0 - 9.7-18.8 HA ALA 77 - QG2 ILE 40 far 0 96 0 - 10.0-17.6 Violated in 3 structures by 0.01 A. Peak 5213 from cnoeabs.peaks (1.57, 0.94, 22.80 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.91: HD2 LYS 39 + QD2 LEU 43 OK 91 93 100 97 2.9-4.5 3.0/5116=57, ~5206=32...(15) HG2 LYS 39 - QD2 LEU 43 poor 20 81 25 98 4.5-6.6 3.6/5116=50, ~5206=42...(16) HD3 LYS 39 - QD2 LEU 43 far 14 95 15 - 2.7-6.0 HG3 ARG 54 - QD2 LEU 43 far 0 99 0 - 7.5-9.6 HB3 ARG 54 - QD2 LEU 43 far 0 81 0 - 8.2-9.1 Violated in 17 structures by 0.16 A. Peak 5214 from cnoeabs.peaks (1.59, 0.83, 26.57 ppm; 3.05 A): 3 out of 7 assignments used, quality = 0.98: HD2 LYS 39 + QD1 LEU 43 OK 87 98 95 93 1.9-4.3 3.5/5111=27, 3.5/5109=24...(19) HB3 LEU 51 + QD1 LEU 43 OK 65 99 85 77 2.8-4.0 3.1/4917=39...(7) HD3 LYS 39 + QD1 LEU 43 OK 55 97 60 94 2.3-5.0 3.5/5111=27, 3.5/5109=24...(20) HG3 ARG 54 - QD1 LEU 43 far 0 90 0 - 6.4-8.6 HD3 LYS 73 - QD1 LEU 43 far 0 87 0 - 8.1-12.4 HD2 LYS 73 - QD1 LEU 43 far 0 87 0 - 8.3-12.6 HG LEU 62 - QD1 LEU 43 far 0 68 0 - 8.8-10.3 Violated in 2 structures by 0.00 A. Peak 5215 from cnoeabs.peaks (0.97, 2.48, 32.30 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.97: QG1 VAL 45 + HB2 PRO 44 OK 97 97 100 100 5.2-5.3 5654/2.3=81, 630/156=78...(11) QD1 LEU 64 - HB3 PRO 36 far 0 40 0 - 8.5-11.3 QD1 LEU 57 - HB3 PRO 36 far 0 39 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 5216 from cnoeabs.peaks (0.95, 2.09, 32.30 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.62: QD1 LEU 64 + HB3 MET 31 OK 46 46 100 100 4.2-5.2 ~6121=64, 5310/3.0=63...(13) QD2 LEU 43 + HB3 PRO 44 OK 30 99 30 100 5.3-6.2 4387/3.0=79, 4388/3.0=79...(14) QG2 ILE 40 - HB3 MET 31 far 0 30 0 - 8.7-10.4 QG2 ILE 40 - HB3 PRO 44 far 0 78 0 - 8.8-9.6 QD2 LEU 62 - HB3 MET 31 far 0 30 0 - 9.1-11.5 QG2 VAL 41 - HB3 PRO 44 far 0 89 0 - 9.5-10.4 Violated in 15 structures by 0.07 A. Peak 5218 from cnoeabs.peaks (3.65, 7.07, 131.51 ppm; 5.86 A): 3 out of 5 assignments used, quality = 1.00: HA ILE 40 + QD PHE 48 OK 93 93 100 100 2.5-3.3 4325=95, 5120/2.2=94...(17) HA VAL 65 + QD PHE 48 OK 90 91 100 99 6.0-6.7 ~4718=72, 5033/5619=61...(13) HA ARG 69 + QD PHE 48 OK 82 87 100 94 5.1-6.3 ~5979=54, 4.6/5823=36...(11) HD3 PRO 44 - QD PHE 48 far 11 74 15 - 6.5-8.0 HD3 PRO 14 - QD PHE 48 far 0 59 0 - 9.7-30.9 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 2.0-2.7 1.8/5220=81, 4568=80...(16) HB3 LYS 39 - HA LEU 51 far 0 78 0 - 6.2-10.3 HB2 LEU 57 - HA LEU 51 far 0 99 0 - 7.3-9.0 HB2 PRO 34 - HA LEU 51 far 0 85 0 - 7.4-10.7 HG2 PRO 34 - HA LEU 51 far 0 100 0 - 8.0-9.7 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 3.3-4.3 1.8/5219=70, 4569=63...(15) HG2 LYS 39 - HA LEU 51 far 0 96 0 - 6.7-9.1 Violated in 5 structures by 0.06 A. Peak 5221 from cnoeabs.peaks (0.94, 1.60, 41.26 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 43 + HB3 LEU 51 OK 99 100 100 99 4.9-6.0 4916/3.1=77, ~4917=60...(7) QG2 ILE 40 + HB3 LEU 51 OK 90 96 95 99 4.5-6.6 4301/3.1=73, 5175/3.1=42...(11) QD2 LEU 62 - HB3 LEU 51 far 0 96 0 - 6.6-8.4 QG2 VAL 41 - HB3 LEU 51 far 0 99 0 - 8.7-9.4 QD1 LEU 64 - HB3 LEU 51 far 0 95 0 - 9.8-12.5 Violated in 2 structures by 0.01 A. Peak 5222 from cnoeabs.peaks (4.01, 0.89, 26.17 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.92: HA PHE 48 + HG LEU 51 OK 92 92 100 100 3.9-5.6 4522/2.1=91, 4521/2.1=91...(9) HA ARG 54 - HG LEU 51 far 5 99 5 - 6.5-7.6 HD2 PRO 44 - HG LEU 51 far 0 73 0 - 8.9-10.8 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 2.0-5.0 4647/2.1=99, 5726=96...(13) HE22 GLN 61 - HG LEU 51 far 0 97 0 - 8.6-11.7 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 3.5-4.4 2.5/4631=94, 684/4581=92...(8) Violated in 0 structures by 0.00 A. Peak 5227 from cnoeabs.peaks (3.78, 2.94, 40.22 ppm; 6.27 A): 1 out of 1 assignment used, quality = 0.76: HA LEU 52 + HB3 TYR 55 OK 76 76 100 100 5.1-6.1 5229/1.8=95, 4631/2.5=89...(6) 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 1 assignment used, quality = 0.85: HA LEU 52 + HB2 TYR 55 OK 85 85 100 100 3.5-4.4 4631/2.5=87, 4581/684=76...(8) 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 = 0.94: HG2 GLN 61 + QG2 THR 58 OK 94 100 95 99 2.4-5.5 3.0/4627=64, 4664=57...(9) HG2 MET 31 - QG2 THR 58 far 0 65 0 - 8.2-11.1 Violated in 9 structures by 0.14 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 2.0-3.5 5079=100, 5082/4687=33...(19) HB2 LEU 64 + HA GLN 61 OK 90 92 100 98 2.6-3.3 4695=52, 1.8/4696=44...(18) HG2 ARG 66 - HA GLN 61 far 0 73 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 5233 from cnoeabs.peaks (1.97, 2.60, 34.98 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.92: QE MET 31 + HG2 GLN 61 OK 80 81 100 99 2.6-4.6 5079/4.0=63, 5930/3.5=50...(14) HB2 LEU 64 + HG2 GLN 61 OK 62 100 65 96 5.2-6.8 4695/4.0=67, 5234/1.8=39...(9) HG LEU 57 - HG2 GLN 61 poor 19 93 20 - 4.7-7.4 HG3 PRO 14 - HG2 GLN 61 far 0 90 0 - 9.6-31.6 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 = 0.98: HB2 LEU 64 + HG3 GLN 61 OK 92 100 95 97 4.3-6.4 4695/2529=79...(8) QE MET 31 + HG3 GLN 61 OK 80 81 100 100 1.9-4.7 5079/2529=72...(11) HG LEU 57 - HG3 GLN 61 far 14 93 15 - 5.1-7.7 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 5 assignments used, quality = 0.92: QD1 LEU 52 + HG LEU 62 OK 92 92 100 100 2.8-3.9 4553/2.1=92, ~5237=92...(18) QD1 LEU 52 - HG2 ARG 84 far 2 33 5 - 6.7-30.1 QD1 LEU 52 - HG3 ARG 84 far 2 33 5 - 6.9-30.6 QD1 LEU 52 - HG3 ARG 54 far 0 78 0 - 7.3-9.0 QD1 LEU 52 - HG LEU 64 far 0 55 0 - 7.5-9.2 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 2.4-3.4 2.1/4680=70, 3.1/5004=50...(21) Violated in 0 structures by 0.00 A. Peak 5238 from cnoeabs.peaks (2.37, 1.57, 26.98 ppm; 5.54 A): 3 out of 7 assignments used, quality = 0.93: HB VAL 65 + HG LEU 62 OK 82 83 100 100 3.8-4.6 ~5006=78, 4998/2586=67...(11) HB VAL 65 + HG LEU 64 OK 47 47 100 100 3.7-5.8 ~5965=80, 3.0/5032=61...(14) HG2 GLU 50 + HG3 ARG 54 OK 21 90 100 23 4.4-6.2 4942/4.9=13, 4942/2331=9 HG2 GLU 50 - HG3 ARG 84 far 2 40 5 - 5.5-43.9 HG2 GLU 59 - HG LEU 62 far 0 57 0 - 6.6-9.4 HG2 GLU 50 - HG2 ARG 84 far 0 40 0 - 6.7-44.1 HG3 MET 11 - HG3 ARG 54 far 0 65 0 - 8.7-41.4 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 5 assignments used, quality = 0.97: HB VAL 65 + QD1 LEU 62 OK 90 90 100 100 5.2-5.8 2.1/5006=99...(11) HG2 GLU 59 + QD1 LEU 62 OK 64 68 95 99 3.8-6.5 4.2/5365=88, 4642=68...(5) HG2 GLU 59 - QD1 LEU 86 far 0 55 0 - 7.7-36.3 HG2 GLU 50 - QD1 LEU 62 far 0 100 0 - 9.1-11.1 HB VAL 65 - QD1 LEU 86 far 0 76 0 - 9.2-35.3 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 = 0.64: HG2 MET 31 + HA LEU 64 OK 64 92 70 100 5.4-7.8 5310/2648=98...(8) HB3 ASP 24 - HA LEU 64 far 0 78 0 - 7.9-10.5 HG2 GLN 61 - HA LEU 64 far 0 98 0 - 8.0-9.3 Violated in 15 structures by 0.60 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 1.9-3.6 4759=98, 5252/3.0=52...(12) QD1 ILE 68 - HG3 ARG 23 far 0 87 0 - 6.9-12.0 QD1 ILE 68 - HG LEU 62 far 0 65 0 - 7.4-8.7 QG1 VAL 41 - HG LEU 64 far 0 87 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 5244 from cnoeabs.peaks (4.00, 1.21, 23.08 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.85: HA ARG 66 + QG2 VAL 65 OK 85 85 100 100 4.8-5.3 ~273=49, 3.6/4714=48...(16) HA LYS 32 - QG2 VAL 65 far 0 85 0 - 8.0-9.3 HA ARG 54 - QG2 VAL 65 far 0 96 0 - 9.4-10.4 HA ARG 70 - QG2 VAL 65 far 0 99 0 - 9.5-10.7 Violated in 20 structures by 0.68 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 1.9-3.0 5249/2.1=88, 5247/3.2=54...(27) QD1 LEU 57 - HB ILE 68 far 0 76 0 - 7.0-8.0 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 = 0.99: QD1 ILE 40 + QD1 ILE 68 OK 99 99 100 99 1.8-3.0 5249/2.9=54...(25) HG3 PRO 34 - QD1 ILE 68 far 0 99 0 - 7.7-9.1 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 1.9-3.3 4299=55, 5247/2.9=50...(30) HG3 PRO 34 - QG2 ILE 68 far 0 92 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 5251 from cnoeabs.peaks (1.69, 0.78, 13.95 ppm; 4.50 A): 1 out of 7 assignments used, quality = 0.98: HB3 LEU 64 + QD1 ILE 68 OK 98 98 100 100 3.9-4.5 1.8/5252=91, 3.0/4759=80...(7) HB3 GLN 61 - QD1 ILE 68 far 0 60 0 - 5.7-6.6 HG3 ARG 66 - QD1 ILE 68 far 0 99 0 - 6.4-7.9 HG LEU 29 - QD1 ILE 68 far 0 93 0 - 6.4-8.5 HG2 ARG 70 - QD1 ILE 68 far 0 83 0 - 6.6-8.9 HB2 LEU 29 - QD1 ILE 68 far 0 63 0 - 7.7-9.4 HG2 ARG 23 - QD1 ILE 68 far 0 87 0 - 7.8-11.7 Violated in 0 structures by 0.00 A. Peak 5252 from cnoeabs.peaks (1.98, 0.78, 13.95 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.81: HB2 LEU 64 + QD1 ILE 68 OK 81 96 90 94 3.8-5.0 3.0/4759=65, 1.8/5251=59...(6) QE MET 31 - QD1 ILE 68 far 0 99 0 - 5.0-6.8 HG2 ARG 66 - QD1 ILE 68 far 0 65 0 - 6.2-7.3 HB3 ARG 70 - QD1 ILE 68 far 0 60 0 - 7.3-9.5 HG LEU 57 - QD1 ILE 68 far 0 60 0 - 7.8-9.3 HB2 ARG 70 - QD1 ILE 68 far 0 60 0 - 7.9-9.5 HG LEU 43 - QD1 ILE 68 far 0 100 0 - 9.2-10.5 Violated in 18 structures by 0.25 A. Peak 5253 from cnoeabs.peaks (3.57, 1.38, 27.02 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.89: HA VAL 41 + HG3 ARG 69 OK 89 99 90 100 2.3-7.0 4342/1.8=72, 4341=55...(20) Violated in 9 structures by 0.36 A. Peak 5254 from cnoeabs.peaks (3.58, 1.24, 27.02 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.65: HA VAL 41 + HG2 ARG 69 OK 65 100 65 100 2.5-6.5 5253/1.8=86, 4342=76...(19) HD3 PRO 36 - HG13 ILE 33 far 0 60 0 - 8.4-8.6 Violated in 9 structures by 0.53 A. Peak 5255 from cnoeabs.peaks (0.90, 1.48, 24.53 ppm; 5.07 A): 0 out of 6 assignments used, quality = 0.00: QD1 LEU 86 - HG3 LYS 85 poor 20 66 30 - 4.6-9.1 QG1 VAL 76 - HG2 LYS 73 poor 15 73 20 - 3.7-11.0 QG2 VAL 76 - HG2 LYS 73 poor 15 73 20 - 3.8-12.0 QD1 LEU 29 - HG3 LYS 13 far 0 62 0 - 6.4-21.0 QG2 VAL 90 - HG3 LYS 85 far 0 70 0 - 9.2-15.4 QG2 VAL 76 - HG3 LYS 13 far 0 49 0 - 9.8-40.3 Violated in 13 structures by 0.59 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 2.0-4.5 4904=99, 5258/1.8=74...(14) QD1 ILE 89 - HG3 LYS 85 far 0 64 0 - 6.0-14.5 QG2 ILE 68 - HG2 LYS 73 far 0 98 0 - 6.8-8.6 QD1 LEU 43 - HG3 LYS 13 far 0 37 0 - 7.5-27.8 QD1 LEU 43 - HG2 LYS 73 far 0 57 0 - 8.3-11.9 QD1 ILE 68 - HG2 LYS 73 far 0 85 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 5257 from cnoeabs.peaks (0.89, 1.39, 24.53 ppm; 4.13 A): 0 out of 10 assignments used, quality = 0.00: QG1 VAL 76 - HG3 LYS 73 poor 13 63 20 - 2.4-10.4 QG2 VAL 76 - HG3 LYS 73 poor 13 63 20 - 2.7-11.7 QG1 VAL 76 - HG2 LYS 75 poor 13 31 40 - 3.9-7.8 QG1 VAL 76 - HG3 LYS 75 poor 9 31 30 - 3.3-7.5 QG2 VAL 76 - HG2 LYS 75 poor 6 31 20 - 4.0-7.6 QG2 VAL 76 - HG3 LYS 75 far 3 31 10 - 3.3-7.6 QD1 LEU 86 - HG2 LYS 85 far 0 96 0 - 5.3-8.4 QD1 LEU 86 - HG2 LYS 83 far 0 78 0 - 5.8-12.2 QG2 VAL 76 - HG2 LYS 83 far 0 42 0 - 9.3-18.9 QG1 VAL 90 - HG2 LYS 85 far 0 95 0 - 9.9-16.2 Violated in 8 structures by 0.17 A. Peak 5258 from cnoeabs.peaks (0.80, 1.39, 24.53 ppm; 4.86 A): 1 out of 9 assignments used, quality = 1.00: QG1 VAL 41 + HG3 LYS 73 OK 100 100 100 100 3.1-4.9 4904/1.8=92, 4346/2.9=75...(14) QD1 ILE 89 - HG2 LYS 85 far 5 92 5 - 5.7-14.5 QD1 ILE 89 - HG2 LYS 83 far 4 72 5 - 5.2-19.8 QG1 VAL 41 - HG3 LYS 75 far 0 60 0 - 6.5-10.7 QG1 VAL 41 - HG2 LYS 75 far 0 60 0 - 6.9-11.2 QG2 ILE 68 - HG3 LYS 73 far 0 98 0 - 7.7-9.2 QG2 ILE 68 - HG3 LYS 75 far 0 57 0 - 8.1-14.3 QG2 ILE 68 - HG2 LYS 75 far 0 57 0 - 8.7-14.1 QD1 LEU 43 - HG3 LYS 73 far 0 57 0 - 9.7-11.9 Violated in 1 structures by 0.00 A. Peak 5260 from cnoeabs.peaks (0.81, 1.78, 32.45 ppm; 4.23 A): 2 out of 16 assignments used, quality = 0.97: QG1 VAL 41 + HB3 LYS 73 OK 86 90 95 100 2.7-5.2 4346=81, 4904/2.9=56...(16) QD1 LEU 43 + HB3 LYS 39 OK 82 85 100 97 2.1-4.1 5357/3.0=52...(13) QD2 LEU 86 - HB2 LYS 85 poor 8 46 45 37 3.5-6.1 4.8/386=29, 3.1/1856=8 QD2 LEU 86 - HB2 LYS 83 far 7 74 10 - 4.6-12.4 QG1 VAL 41 - HB3 LYS 75 far 0 79 0 - 5.7-10.6 QG2 ILE 68 - HB3 LYS 39 far 0 99 0 - 6.5-8.5 QD1 LEU 43 - HB2 LYS 13 far 0 78 0 - 6.6-27.8 QG2 ILE 68 - HB3 LYS 73 far 0 100 0 - 6.8-8.5 QD1 ILE 89 - HB2 LYS 83 far 0 96 0 - 7.4-18.5 QD1 ILE 89 - HB2 LYS 85 far 0 66 0 - 7.7-12.9 QG1 VAL 41 - HB3 LYS 39 far 0 89 0 - 8.1-8.5 QG2 ILE 89 - HB2 LYS 85 far 0 31 0 - 8.2-12.9 QG2 ILE 68 - HB3 LYS 75 far 0 92 0 - 9.1-13.3 QG2 ILE 89 - HB2 LYS 83 far 0 52 0 - 9.5-18.9 QG2 ILE 89 - HB3 LYS 75 far 0 48 0 - 9.5-36.7 QD1 LEU 43 - HB3 LYS 73 far 0 87 0 - 9.7-12.7 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 13 assignments used, quality = 0.96: QG2 VAL 41 + HB2 LYS 73 OK 73 73 100 100 3.8-4.8 5402/3.0=67, ~4346=64...(22) QG1 VAL 76 + HB2 LYS 75 OK 69 72 100 96 2.3-5.7 3.9/340=61, 3.2/5853=57...(9) QG2 VAL 76 + HB2 LYS 75 OK 57 72 85 94 2.5-6.0 3.9/340=61, 3.2/5853=57...(8) QG2 VAL 76 - HB2 LYS 73 far 15 97 15 - 3.6-10.9 QG1 VAL 76 - HB2 LYS 73 far 15 97 15 - 4.5-9.5 QG2 ILE 40 - HB2 LYS 73 far 8 85 10 - 5.1-8.0 QD1 LEU 86 - HB2 LYS 85 far 8 52 15 - 3.7-7.5 QG2 VAL 41 - HB2 LYS 75 far 0 49 0 - 6.5-11.5 QG1 VAL 90 - HB2 LYS 85 far 0 72 0 - 8.9-14.9 QD2 LEU 62 - HB2 LYS 85 far 0 60 0 - 9.5-31.2 QG2 VAL 90 - HB2 LYS 85 far 0 70 0 - 9.6-14.8 QG2 ILE 40 - HB2 LYS 75 far 0 59 0 - 9.7-13.6 HG12 ILE 68 - HB2 LYS 73 far 0 97 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 5262 from cnoeabs.peaks (0.82, 1.82, 32.45 ppm; 4.79 A): 2 out of 8 assignments used, quality = 0.81: QG1 VAL 41 + HB2 LYS 73 OK 76 76 100 100 2.2-3.9 4346/1.8=67, 5264/787=62...(19) QD2 LEU 86 + HB2 LYS 85 OK 23 68 75 45 3.5-6.1 4.8/386=44 QG1 VAL 41 - HB2 LYS 75 far 0 51 0 - 5.8-10.3 QG2 ILE 68 - HB2 LYS 73 far 0 97 0 - 6.2-7.3 QD1 ILE 89 - HB2 LYS 85 far 0 75 0 - 7.7-12.9 QG2 ILE 68 - HB2 LYS 75 far 0 72 0 - 7.9-13.1 QG2 ILE 89 - HB2 LYS 85 far 0 52 0 - 8.2-12.9 QD1 LEU 43 - HB2 LYS 73 far 0 97 0 - 8.6-11.5 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 = 0.99: 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 50 99 55 92 5.1-7.0 3.9/877=79, ~5904=33...(5) 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 53 - QD1 ILE 89 far 0 90 0 - 5.9-42.1 Violated in 20 structures by 23.80 A. Peak 5284 from cnoeabs.peaks (2.25, 3.95, 45.26 ppm; 5.24 A): 2 out of 14 assignments used, quality = 0.66: HG2 GLU 25 + HA2 GLY 21 OK 43 100 65 66 3.4-7.9 1346/3.5=33, 3.0/4151=18...(7) HG2 GLU 25 + HA3 GLY 21 OK 40 100 65 61 3.2-8.0 1346/3.5=33, 3.0/4151=18...(5) HG2 GLU 19 - HA2 GLY 18 poor 19 39 50 - 4.1-7.4 HG2 GLU 19 - HA3 GLY 21 poor 18 71 25 - 4.9-9.3 HG2 GLU 19 - HA3 GLY 18 poor 16 40 40 - 4.0-7.7 HG3 GLU 19 - HA3 GLY 18 poor 14 40 35 - 4.4-7.2 HG3 GLU 19 - HA2 GLY 18 poor 12 39 60 53 4.1-7.1 496/3.6=27, 3.9/4800=14...(8) HG2 GLU 19 - HA2 GLY 21 far 11 71 15 - 3.5-9.8 HG3 GLU 19 - HA3 GLY 21 far 11 71 15 - 5.5-9.5 HG3 GLU 19 - HA2 GLY 21 far 7 71 10 - 4.3-9.7 HG2 GLU 25 - HA3 GLY 18 far 3 67 5 - 6.1-14.4 HG2 GLU 25 - HA2 GLY 18 far 3 64 5 - 6.1-13.5 HB2 PRO 14 - HA2 GLY 18 far 0 47 0 - 7.1-14.3 HB2 PRO 14 - HA3 GLY 18 far 0 49 0 - 7.5-14.8 Violated in 6 structures by 0.22 A. Peak 5285 from cnoeabs.peaks (2.57, 3.95, 45.26 ppm; 4.91 A): 0 out of 5 assignments used, quality = 0.00: HB3 ASP 24 - HA3 GLY 21 far 9 93 10 - 3.6-10.5 HB2 ASP 24 - HA3 GLY 21 far 8 85 10 - 5.1-10.9 HB3 ASP 24 - HA2 GLY 21 far 5 93 5 - 3.8-10.3 HB2 ASP 24 - HA2 GLY 21 far 4 85 5 - 5.5-10.7 HB2 ASP 24 - HA3 GLY 18 far 0 50 0 - 9.8-18.0 Violated in 18 structures by 1.91 A. Peak 5286 from cnoeabs.peaks (3.16, 3.95, 45.26 ppm; 5.66 A): 2 out of 19 assignments used, quality = 0.40: HD2 ARG 17 + HA2 GLY 18 OK 23 64 50 73 2.7-7.8 3.6/5496=37, 3.6/4150=29...(5) HD2 ARG 17 + HA3 GLY 18 OK 21 66 45 72 4.1-8.2 3.6/5496=36, 3.6/4150=29...(5) HD3 ARG 17 - HA3 GLY 18 poor 20 66 30 - 4.2-8.1 HD3 ARG 17 - HA2 GLY 18 poor 16 64 35 73 3.1-8.0 3.6/5496=37, 3.6/4150=29...(5) HD2 ARG 26 - HA3 GLY 21 far 15 97 15 - 5.8-10.8 HD3 ARG 26 - HA2 GLY 21 far 10 97 10 - 5.6-12.2 HD2 ARG 26 - HA2 GLY 21 poor 8 97 30 28 4.1-10.9 3.0/5495=10, 3.0/4150=8...(4) HD2 ARG 71 - HA3 GLY 21 far 4 73 5 - 4.2-20.3 HD2 ARG 71 - HA2 GLY 21 far 4 73 5 - 5.1-19.1 HD3 ARG 26 - HA3 GLY 21 far 0 97 0 - 6.6-12.2 HD3 ARG 26 - HA3 GLY 18 far 0 61 0 - 6.7-19.2 HD2 ARG 23 - HA2 GLY 21 far 0 100 0 - 7.1-12.2 HD2 ARG 23 - HA3 GLY 21 far 0 100 0 - 7.4-11.8 HD3 ARG 23 - HA2 GLY 21 far 0 100 0 - 7.4-11.3 HD3 ARG 26 - HA2 GLY 18 far 0 59 0 - 7.5-18.9 HD2 ARG 26 - HA3 GLY 18 far 0 62 0 - 7.8-20.6 HD3 ARG 23 - HA3 GLY 21 far 0 100 0 - 8.1-11.5 HD2 ARG 26 - HA2 GLY 18 far 0 60 0 - 8.9-20.3 HD2 ARG 27 - HA2 GLY 21 far 0 100 0 - 9.9-15.5 Violated in 11 structures by 0.34 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 2.8-3.9 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 2.3-3.6 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; 4.70 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=92, 5.6=58...(7) Violated in 15 structures by 0.05 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 3.9-4.9 922/3.6=88, 923/4525=83...(7) H ASN 42 - HA PHE 48 far 0 100 0 - 7.7-8.6 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 2.1-5.6 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 95 100 100 4.4-4.6 5293/1.8=76, ~4580=52...(11) 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 4.3-4.5 5292/1.8=75, ~4580=52...(10) Violated in 0 structures by 0.00 A. Peak 5294 from cnoeabs.peaks (4.47, 1.88, 29.95 ppm; 4.13 A): 6 out of 22 assignments used, quality = 1.00: HA ASP 67 + HB2 ARG 66 OK 97 100 100 97 4.3-4.8 3.0/278=38, 4742/1.8=35...(17) HA ASP 24 + HB2 ARG 27 OK 48 52 100 93 2.3-4.2 4157=40, 5383/4.1=39...(13) HA ASP 24 + HB3 ARG 27 OK 42 54 85 92 3.3-5.6 4157/1.8=41, 5383/4.1=39...(13) HA ASP 24 + HB2 ARG 26 OK 39 95 55 74 4.4-7.5 4169/3.9=40, 5383/4.6=34...(5) HA ASP 24 + HB3 ARG 23 OK 33 56 75 78 3.8-5.7 4157=24, ~44=22, ~45=22...(10) HA ASP 24 + HB2 ARG 23 OK 31 53 75 78 4.1-5.6 4157/1.8=25, ~45=22...(10) HA SER 22 - HB2 ARG 23 poor 19 32 60 - 4.3-5.9 HA ASP 67 - HB3 ARG 71 poor 11 57 20 - 4.0-8.6 HA SER 22 - HB3 ARG 23 poor 8 34 25 - 4.5-6.4 HA ASP 67 - HB2 ARG 71 far 8 55 15 - 4.4-7.3 HA ASP 24 - HB2 ARG 71 far 5 49 10 - 4.3-8.8 HA ASP 24 - HB3 ARG 71 far 3 51 5 - 4.4-9.1 HA SER 22 - HB3 ARG 26 far 0 64 0 - 5.6-10.1 HA SER 22 - HB2 ARG 26 far 0 64 0 - 5.9-9.0 HA ASP 24 - HB3 ARG 26 far 0 94 0 - 6.1-7.4 HA SER 22 - HB3 ARG 71 far 0 30 0 - 6.5-14.1 HA SER 22 - HB2 ARG 71 far 0 29 0 - 7.3-14.3 HA SER 22 - HB2 ARG 27 far 0 31 0 - 8.0-10.5 HA ASP 67 - HB3 ARG 27 far 0 60 0 - 8.7-11.1 HA ASP 67 - HB2 ARG 27 far 0 58 0 - 8.7-10.8 HA SER 22 - HB3 ARG 27 far 0 33 0 - 8.8-11.8 HA ASP 67 - HB3 ARG 23 far 0 63 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 5295 from cnoeabs.peaks (4.03, 0.83, 26.57 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: HA PHE 48 + QD1 LEU 43 OK 100 100 100 100 2.7-3.6 4468=100, 3.7/4370=40...(26) HD2 PRO 44 + QD1 LEU 43 OK 81 96 85 100 3.7-5.4 4387/2.1=74, ~4388=47...(19) HA ARG 54 - QD1 LEU 43 far 0 87 0 - 8.4-9.3 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 2.1-3.5 4758=95, 5909/2.9=27...(12) QG1 VAL 41 - QB ALA 28 far 0 76 0 - 8.2-9.4 Violated in 0 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 3.7-4.4 100=86, 1651/4180=52...(9) H ASP 67 - QB ALA 28 far 0 57 0 - 7.9-9.2 Violated in 14 structures by 0.21 A. Peak 5304 from cnoeabs.peaks (2.30, 0.88, 24.48 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.93: HG3 GLU 25 + QD1 LEU 29 OK 75 100 75 99 3.5-9.4 ~4165=90, 4804/2.1=62...(6) HG3 GLU 59 + QD1 LEU 62 OK 71 71 100 100 4.0-6.5 4.2/5365=96, 1.8/4642=96...(5) HB2 PRO 14 - QD1 LEU 29 far 4 73 5 - 5.9-17.3 HG3 GLU 59 - QD1 LEU 86 far 0 68 0 - 8.1-37.3 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 2.8-4.9 1.8/6116=79, 559/3.6=67...(11) HB2 GLN 61 - QB ALA 30 far 0 100 0 - 9.2-11.1 Violated in 3 structures by 0.01 A. Peak 5306 from cnoeabs.peaks (7.24, 1.55, 30.94 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.95: H ALA 53 + HB3 ARG 54 OK 85 85 100 100 5.7-5.9 926/2315=80, 4963/1.8=79...(9) HE ARG 54 + HB3 ARG 54 OK 68 68 100 100 2.0-4.8 4.7=100 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 2 assignments used, quality = 0.97: H ALA 53 + HB2 ARG 54 OK 97 97 100 100 4.1-4.6 926/676=95, 4963=91...(11) H ALA 53 - HB2 PRO 34 far 0 46 0 - 9.4-12.0 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 2.5-3.3 4688=84, ~4591=74...(19) HZ PHE 35 + HG LEU 57 OK 85 85 100 100 3.7-4.6 2.2/4688=88, 4591/2.1=84...(15) HZ PHE 48 - HG LEU 57 far 0 81 0 - 9.0-11.0 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 2.6-4.1 4547=93, 4726/4722=84...(14) 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 5 assignments used, quality = 0.92: HG2 MET 31 + QD1 LEU 64 OK 92 92 100 100 2.2-4.6 4198/2.1=80, 3.3/5073=63...(18) HB3 ASP 24 - QD1 LEU 64 poor 16 78 20 - 4.4-6.7 HG2 GLN 61 - QD1 LEU 64 far 0 98 0 - 6.7-8.3 HB2 ASP 38 - QD1 LEU 64 far 0 97 0 - 9.2-12.3 HB3 ASP 38 - QD1 LEU 64 far 0 96 0 - 9.9-12.4 Violated in 6 structures by 0.04 A. Peak 5311 from cnoeabs.peaks (2.54, 0.84, 25.67 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 61 + QD2 LEU 64 OK 98 99 100 99 3.5-5.7 3.0/4504=64, 1.8/5161=52...(14) HG3 MET 31 + QD2 LEU 64 OK 97 97 100 100 1.8-3.3 4200=97, 1.8/4198=96...(22) HB2 ASP 24 - QD2 LEU 64 far 8 83 10 - 4.6-7.7 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 3.2-3.7 4747=99, 2777/4761=50...(15) 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 3.1-4.1 2.1/4728=87...(14) 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 = 0.97: QD1 LEU 52 + QG2 VAL 65 OK 97 97 100 100 4.2-5.1 2.1/4726=95, ~4728=67...(12) Violated in 5 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 2.4-5.2 4156=96, 5320/1.8=92...(7) H GLU 19 - HB2 SER 22 far 0 100 0 - 7.6-13.3 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 2.8-5.6 4156/1.8=90, 5501/3.0=78...(7) H GLU 19 - HB3 SER 22 far 5 100 5 - 6.0-12.7 Violated in 0 structures by 0.00 A. Peak 5321 from cnoeabs.peaks (1.55, 1.34, 17.80 ppm; 4.12 A): 2 out of 6 assignments used, quality = 0.69: HB3 LEU 29 + QB ALA 28 OK 47 65 75 95 4.2-5.2 4.0/78=60, 3.1/4839=51...(6) HG LEU 64 + QB ALA 28 OK 42 95 45 99 4.4-5.9 2.1/5162=78...(8) HG2 LYS 39 - QB ALA 28 far 0 100 0 - 6.4-8.2 HD3 LYS 39 - QB ALA 28 far 0 60 0 - 7.1-9.1 HG3 ARG 23 - QB ALA 28 far 0 96 0 - 7.8-10.6 HG LEU 62 - QB ALA 28 far 0 95 0 - 10.0-11.4 Violated in 11 structures by 0.02 A. Peak 5322 from cnoeabs.peaks (2.61, 0.71, 10.77 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.99: HG2 GLN 61 + QD1 ILE 33 OK 98 98 100 100 3.7-4.9 1.8/4224=81, 3.0/4222=67...(17) HG2 MET 31 + QD1 ILE 33 OK 73 92 80 99 4.0-5.3 4198/6122=53...(14) HB3 ASP 24 - QD1 ILE 33 far 0 78 0 - 7.9-10.5 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 3.8-5.1 4534/4564=75, ~4584=70...(12) QE PHE 35 + HG LEU 51 OK 97 97 100 100 3.8-4.6 2.2/4564=94, 4584/2.1=94...(15) HZ PHE 48 - HG LEU 51 far 0 99 0 - 6.3-9.1 Violated in 0 structures by 0.00 A. Peak 5324 from cnoeabs.peaks (0.89, 1.33, 40.92 ppm; 4.58 A): 3 out of 5 assignments used, quality = 0.98: QD1 LEU 62 + HB2 LEU 52 OK 90 90 100 100 2.3-3.7 2.1/5004=83, ~4680=47...(16) HG LEU 51 + HB2 LEU 51 OK 61 61 100 100 2.5-3.0 3.0=100 HG LEU 51 + HB2 LEU 52 OK 46 100 50 91 5.0-6.9 197/3.9=56, 4952/3.1=39...(8) QD1 LEU 86 - HB2 LEU 52 far 0 100 0 - 6.5-39.6 QD1 LEU 62 - HB2 LEU 51 far 0 49 0 - 7.6-9.2 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 99 4.7-5.5 4982/3.1=74, 4983/3.1=49...(14) HG LEU 64 - QD2 LEU 57 poor 14 96 35 41 4.9-7.9 3.0/5025=25, 5792/4725=9...(5) HB3 ARG 54 - QD2 LEU 57 far 0 100 0 - 7.2-8.5 HG2 LYS 39 - QD2 LEU 57 far 0 100 0 - 7.6-8.8 HG3 ARG 54 - QD2 LEU 57 far 0 73 0 - 8.5-9.9 HB3 LEU 29 - QD2 LEU 57 far 0 63 0 - 9.7-11.5 Violated in 11 structures by 0.15 A. Peak 5326 from cnoeabs.peaks (1.36, 2.23, 36.01 ppm; 4.76 A): 3 out of 24 assignments used, quality = 0.81: QB ALA 20 + HG2 GLU 19 OK 55 87 70 90 4.2-6.2 ~29=38, 2.9/31=31...(10) QB ALA 20 + HG3 GLU 19 OK 43 87 55 91 4.0-6.5 ~29=38, 2.9/31=31...(11) QB ALA 28 + HG2 GLU 25 OK 25 43 60 96 4.2-5.9 5512/1.8=57, 4181/4.1=57...(8) HG2 LYS 85 - HG2 GLU 87 poor 15 73 20 - 3.1-10.5 HG2 LYS 85 - HG3 GLU 87 far 11 75 15 - 2.9-10.4 QB ALA 20 - HG2 GLU 25 poor 8 48 45 37 2.6-8.1 4.8/5284=13, 4.8/5284=12...(6) QB ALA 16 - HG3 GLU 19 far 5 100 5 - 3.5-11.3 QB ALA 16 - HG2 GLU 19 far 5 100 5 - 4.4-11.6 HG2 LYS 83 - HG2 GLU 87 far 4 86 5 - 5.1-17.1 QB ALA 28 - HG3 GLU 19 far 4 81 5 - 5.5-13.1 QB ALA 77 - HG2 GLU 25 far 0 50 0 - 5.9-24.3 HG2 LYS 83 - HG3 GLU 87 far 0 88 0 - 5.9-17.8 QB ALA 28 - HG2 GLU 19 far 0 81 0 - 5.9-12.6 QB ALA 77 - HG2 GLU 19 far 0 90 0 - 6.4-28.7 QB ALA 77 - HG3 GLU 19 far 0 90 0 - 6.4-29.1 QB ALA 77 - HG2 GLU 87 far 0 77 0 - 6.9-27.4 QB ALA 78 - HG3 GLU 19 far 0 63 0 - 7.3-29.7 QB ALA 78 - HG2 GLU 25 far 0 32 0 - 7.9-27.7 QB ALA 78 - HG2 GLU 19 far 0 63 0 - 8.0-29.7 QB ALA 77 - HG3 GLU 87 far 0 78 0 - 8.2-28.2 HB2 LEU 52 - HG3 GLU 50 far 0 46 0 - 8.7-9.8 QB ALA 16 - HG2 GLU 25 far 0 62 0 - 8.8-16.0 HG2 LYS 85 - HG3 GLU 50 far 0 57 0 - 9.2-48.7 QB ALA 77 - HG3 GLU 50 far 0 60 0 - 9.7-26.8 Violated in 0 structures by 0.00 A. Peak 5328 from cnoeabs.peaks (0.91, 1.67, 28.78 ppm; 4.41 A): 2 out of 10 assignments used, quality = 0.63: QG1 VAL 76 + HD2 LYS 75 OK 48 96 75 68 2.8-8.3 5846/3.5=36, 5110/3.5=33...(5) QG1 VAL 76 + HD3 LYS 75 OK 29 96 45 68 3.9-7.4 5846/3.5=36, 5110/3.5=33...(5) QG2 VAL 76 - HD3 LYS 75 poor 19 96 20 - 3.9-7.9 QG2 VAL 76 - HD2 LYS 75 poor 17 96 40 45 3.2-7.6 5110/3.5=20, 5846/3.5=13...(5) QG2 VAL 41 - HD2 LYS 75 far 0 68 0 - 7.5-12.2 QG2 VAL 41 - HD3 LYS 75 far 0 68 0 - 7.8-12.0 QD1 LEU 29 - HD3 LYS 13 far 0 60 0 - 8.3-20.3 QD1 LEU 29 - HD2 LYS 13 far 0 60 0 - 8.9-19.8 QG2 ILE 40 - HD2 LYS 75 far 0 81 0 - 9.5-15.2 QG2 ILE 40 - HD3 LYS 75 far 0 81 0 - 9.7-15.0 Violated in 12 structures by 0.32 A. Peak 5329 from cnoeabs.peaks (0.83, 1.67, 28.78 ppm; 4.48 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 43 - HD3 LYS 13 far 0 100 0 - 7.1-26.6 QD1 LEU 43 - HD2 LYS 13 far 0 100 0 - 8.1-26.7 Violated in 20 structures by 14.01 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 poor 20 78 25 - 2.7-7.8 Violated in 0 structures by 0.00 A. Peak 5341 from cnoeabs.peaks (8.13, 4.13, 58.01 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: H ARG 26 + HA ARG 23 OK 99 100 100 99 3.3-4.1 5345=99, 3.9/5344=12...(6) H ARG 26 + HA ARG 27 OK 50 74 75 91 5.1-5.3 5380/3.0=84, 3.9/5344=16...(7) H ARG 71 - HA ARG 23 far 0 60 0 - 9.2-15.1 Violated in 0 structures by 0.00 A. Peak 5344 from cnoeabs.peaks (4.13, 1.88, 29.99 ppm; 3.48 A): 4 out of 17 assignments used, quality = 0.89: HA ARG 27 + HB3 ARG 27 OK 48 48 100 100 2.4-3.0 3.0=100 HA ARG 27 + HB2 ARG 27 OK 46 46 100 100 2.7-3.0 3.0=100 HA ARG 27 + HB2 ARG 26 OK 43 93 65 71 4.2-4.8 3.0/63=25, ~65=17...(15) HA ARG 23 + HB2 ARG 26 OK 32 100 70 45 2.7-5.1 5345/3.9=36, 1439/3.0=5...(6) HA ARG 23 - HB3 ARG 26 far 15 100 15 - 4.2-6.2 HA ARG 27 - HB3 ARG 26 far 5 93 5 - 4.1-5.6 HA ARG 23 - HB2 ARG 27 far 0 54 0 - 4.9-7.9 HB THR 88 - HB3 GLU 87 far 0 42 0 - 5.5-7.5 HA ALA 30 - HB3 ARG 26 far 0 99 0 - 5.5-8.0 HA ALA 30 - HB2 ARG 26 far 0 99 0 - 5.9-8.9 HA ARG 23 - HB3 ARG 71 far 0 53 0 - 6.1-12.6 HA ARG 23 - HB3 ARG 27 far 0 56 0 - 6.4-9.0 HA GLN 91 - HB3 GLU 87 far 0 46 0 - 6.7-14.9 HA ALA 30 - HB3 ARG 27 far 0 55 0 - 7.1-8.3 HA ARG 23 - HB2 ARG 71 far 0 51 0 - 7.2-12.9 HA ASN 49 - HB2 ARG 66 far 0 97 0 - 7.7-10.4 HA ALA 30 - HB2 ARG 27 far 0 52 0 - 7.9-8.4 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 78 97 95 84 2.4-5.6 5383/5.0=41, 4157/2.9=39...(10) HA ASP 24 + HG3 ARG 27 OK 69 97 85 83 2.0-5.9 5383/5.0=41, 4157/2.9=39...(10) HA ASP 67 + HG3 ARG 70 OK 62 73 85 99 2.0-6.6 5049/1.8=81, 4792/4.9=48...(12) HA SER 22 - HG2 ARG 26 poor 12 48 25 - 4.4-8.1 HA ASP 24 - HG2 ARG 26 far 4 84 5 - 5.4-8.2 HA PRO 14 - HG2 ARG 17 far 0 57 0 - 6.5-13.0 HA ASP 24 - HG3 ARG 70 far 0 68 0 - 6.9-14.5 HA PRO 14 - HG3 ARG 17 far 0 58 0 - 7.3-12.3 HA ASP 67 - HG2 ARG 27 far 0 100 0 - 8.0-12.4 HA ASP 67 - HG3 ARG 27 far 0 100 0 - 8.0-11.8 HA SER 22 - HG3 ARG 27 far 0 60 0 - 8.1-12.5 HA SER 22 - HG2 ARG 27 far 0 60 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 5348 from cnoeabs.peaks (4.07, 1.72, 41.88 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.98: HA ARG 26 + HB2 LEU 29 OK 98 99 100 99 3.5-4.5 5394/1.8=75, 5395=60...(12) HA GLU 25 - HB2 LEU 29 far 5 93 5 - 4.5-7.9 Violated in 15 structures by 0.33 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 100 100 100 100 1.9-3.6 5394/3.1=73, 5348/3.1=67...(18) HA GLU 25 + QD2 LEU 29 OK 61 71 90 96 3.3-5.8 4.1/4165=43...(13) HA VAL 90 - QD2 LEU 86 far 0 80 0 - 6.6-13.7 HA GLU 59 - QD2 LEU 86 far 0 68 0 - 7.4-35.0 HA ALA 63 - QD2 LEU 86 far 0 87 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 5350 from cnoeabs.peaks (3.96, 2.07, 32.66 ppm; 4.15 A): 3 out of 8 assignments used, quality = 0.99: HA ALA 28 + HB3 MET 31 OK 89 100 90 99 3.2-5.4 4176/1.8=67, 5529=46...(11) HA GLN 61 + HB3 MET 31 OK 88 100 95 92 3.0-6.0 5079/4.3=51...(10) HA VAL 76 + HB VAL 76 OK 64 64 100 100 2.5-3.0 3.0=100 HA LYS 32 - HB3 MET 31 far 0 93 0 - 5.2-5.9 HA2 GLY 72 - HB VAL 76 far 0 65 0 - 8.4-15.7 HA THR 37 - HB3 MET 31 far 0 65 0 - 9.1-11.4 HA VAL 76 - HB3 PRO 44 far 0 46 0 - 9.4-23.4 HA3 GLY 21 - HB VAL 76 far 0 58 0 - 9.9-30.0 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 4.7-4.9 4248/3.2=97, 4249/2.1=88...(12) Violated in 0 structures by 0.00 A. Peak 5352 from cnoeabs.peaks (0.70, 1.04, 26.58 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG3 PRO 34 OK 99 99 100 100 4.4-4.9 4851/2.3=73, 4226/2.3=64...(14) QD2 LEU 57 + HG3 PRO 34 OK 97 97 100 100 2.4-3.2 4603/2.3=74, 4605/2.3=68...(16) 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 3.6-4.2 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 2.9-4.2 4333=67, 2.1/4890=62...(10) HB2 GLU 19 - HA ASP 38 far 0 76 0 - 5.0-17.5 HG12 ILE 40 - HA ASP 38 far 0 63 0 - 5.0-7.2 HG13 ILE 68 - HA ASP 38 far 0 98 0 - 8.3-10.2 Violated in 8 structures by 0.08 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 2.7-4.7 1.8/4914=86, 4449=78...(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 5 assignments used, quality = 0.97: HA LYS 39 + QD1 LEU 43 OK 97 97 100 99 2.9-4.3 3.0/5111=62, 4390/2.1=58...(10) HA ALA 12 - QD1 LEU 43 far 0 87 0 - 7.2-30.7 HB THR 37 - QD1 LEU 43 far 0 89 0 - 8.3-9.2 HA THR 15 - QD1 LEU 43 far 0 99 0 - 8.8-23.2 HA ALA 20 - QD1 LEU 43 far 0 81 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 5360 from cnoeabs.peaks (4.49, 2.68, 37.13 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.79: HA ASP 46 + HB3 ASN 49 OK 79 100 80 99 4.1-5.6 4488/1.8=77, 4489/648=60...(6) Violated in 16 structures by 0.52 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 3.3-4.2 2.2/4540=82, 4959/2.1=76...(12) Violated in 0 structures by 0.00 A. Peak 5362 from cnoeabs.peaks (0.99, 0.44, 24.59 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 57 + QD1 LEU 52 OK 99 99 100 100 3.3-4.9 4613/2.1=99, 5154=98...(14) QG1 VAL 45 + QD1 LEU 52 OK 89 100 95 93 6.8-7.5 5656/4959=77, 4482/5668=70 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 = 0.93: QD TYR 55 + HD3 ARG 54 OK 76 76 100 100 4.1-5.9 4563/3.6=65, 2.2/4565=59...(18) QD TYR 55 + HD2 ARG 54 OK 72 76 95 100 4.1-6.5 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; 3.95 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 62 + HA GLU 59 OK 99 99 100 99 4.2-4.8 2.1/4639=77, 3.1/4678=62...(8) Violated in 20 structures by 0.44 A. Peak 5365 from cnoeabs.peaks (4.03, 0.87, 24.45 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.84: HA GLU 59 + QD1 LEU 62 OK 84 87 100 96 2.9-3.3 4639=61, 5364/2.1=42...(9) HA GLU 59 - QD1 LEU 86 far 0 73 0 - 5.5-36.4 HA ARG 54 - QD1 LEU 62 far 0 85 0 - 7.4-9.6 HB2 SER 22 - QD1 LEU 29 far 0 88 0 - 7.5-11.8 HA PHE 48 - QD1 LEU 62 far 0 100 0 - 8.5-9.7 Violated in 11 structures by 0.02 A. Peak 5366 from cnoeabs.peaks (4.03, 1.59, 41.88 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.99: HA GLU 59 + HB3 LEU 62 OK 96 97 100 100 3.0-4.0 4638=91, 4637/1.8=72...(7) HA ALA 63 + HB3 LEU 62 OK 61 63 100 97 3.8-4.0 3.0/257=60, ~3907=37...(14) HA GLU 59 - HB3 LEU 86 far 0 55 0 - 6.4-41.4 HA GLU 59 - HB2 LEU 86 far 0 52 0 - 8.1-42.3 HA ALA 63 - HB3 LEU 86 far 0 31 0 - 8.1-37.3 HA ALA 63 - HB2 LEU 86 far 0 29 0 - 9.5-38.5 HB2 SER 22 - HB3 LEU 29 far 0 72 0 - 10.0-13.1 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 7 assignments used, quality = 0.82: H ARG 26 + QD1 LEU 29 OK 73 98 75 99 4.1-7.0 ~5929=39, ~5394=37...(18) H LEU 57 + QD1 LEU 62 OK 32 71 80 57 3.9-5.8 5962/2.1=39, 3.8/2601=29 H THR 88 - QD1 LEU 86 lone 9 89 55 19 3.0-7.0 3.6/3542=13, 4.6/5007=5 H LYS 85 - QD1 LEU 86 far 3 67 5 - 5.1-7.7 H THR 88 - QD1 LEU 62 far 0 100 0 - 7.3-38.6 H LEU 57 - QD1 LEU 86 far 0 58 0 - 9.1-41.5 H LYS 85 - QD1 LEU 62 far 0 81 0 - 9.2-31.6 Violated in 5 structures by 0.16 A. Peak 5369 from cnoeabs.peaks (1.87, 4.06, 55.02 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.90: HB2 ARG 66 + HA ALA 63 OK 90 100 90 100 4.4-5.3 1.8/4684=86, 2.8/5370=60...(9) HB ILE 68 - HA ALA 63 far 0 73 0 - 8.3-8.9 HB3 ARG 27 - HA ALA 63 far 0 85 0 - 8.8-11.0 HB2 ARG 27 - HA ALA 63 far 0 83 0 - 9.9-12.0 Violated in 20 structures by 0.46 A. Peak 5370 from cnoeabs.peaks (2.01, 4.06, 55.02 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: HG2 ARG 66 + HA ALA 63 OK 100 100 100 100 2.4-4.5 2.8/4684=78, 1.8/4683=74...(10) QE MET 31 - HA ALA 63 far 0 78 0 - 6.4-7.9 HB2 GLU 87 - HA ALA 63 far 0 83 0 - 6.5-44.3 HD3 ARG 69 - HA ALA 63 far 0 85 0 - 7.9-12.0 HD2 ARG 69 - HA ALA 63 far 0 85 0 - 8.6-12.1 Violated in 0 structures by 0.00 A. Peak 5371 from cnoeabs.peaks (4.07, 1.88, 29.95 ppm; 3.38 A): 4 out of 26 assignments used, quality = 1.00: HA ARG 26 + HB2 ARG 26 OK 99 99 100 100 2.4-3.0 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 2.4-2.6 3.0=100 HA ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.3-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 100 0 - 4.4-5.3 HA GLU 25 - HB2 ARG 27 far 0 37 0 - 4.5-5.6 HA GLU 25 - HB3 ARG 27 far 0 39 0 - 4.9-7.2 HA ARG 71 - HB3 ARG 23 far 0 58 0 - 5.2-13.7 HA ARG 26 - HB2 ARG 27 far 0 58 0 - 5.5-6.0 HA GLU 25 - HB2 ARG 26 far 0 75 0 - 5.6-6.6 HA GLU 25 - HB3 ARG 26 far 0 74 0 - 5.8-6.6 HA ARG 26 - HB3 ARG 27 far 0 60 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 55 0 - 6.1-13.6 HA ARG 26 - HB2 ARG 23 far 0 60 0 - 6.8-9.0 HA GLU 25 - HB3 ARG 23 far 0 40 0 - 7.2-8.7 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 7.3-11.6 HA ARG 26 - HB3 ARG 23 far 0 62 0 - 7.3-8.7 HA GLU 25 - HB2 ARG 23 far 0 38 0 - 7.4-8.6 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 7.7-12.4 HA ALA 63 - HB3 ARG 27 far 0 60 0 - 8.8-11.0 HA GLU 59 - HB2 ARG 66 far 0 81 0 - 8.9-10.5 HA ARG 71 - HB2 ARG 66 far 0 97 0 - 9.2-11.6 HA ARG 71 - HB2 ARG 27 far 0 54 0 - 9.4-12.9 HA ARG 26 - HB3 ARG 71 far 0 57 0 - 9.8-15.6 HA ARG 71 - HB2 ARG 26 far 0 96 0 - 9.9-16.6 HA ALA 63 - HB2 ARG 27 far 0 58 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 5372 from cnoeabs.peaks (4.07, 1.94, 29.95 ppm; 3.94 A): 3 out of 7 assignments used, quality = 0.98: HA ALA 63 + HB3 ARG 66 OK 95 100 95 100 2.9-5.1 4684=90, 5369/1.8=64...(10) HA ARG 71 + HB3 ARG 70 OK 43 84 55 94 4.4-5.6 2.9/306=35, ~307=26...(18) HA ARG 71 + HB2 ARG 70 OK 35 84 45 94 4.1-5.7 2.9/306=31, ~307=26...(18) HA GLU 59 - HB3 ARG 66 far 0 81 0 - 7.8-9.5 HA ALA 63 - HB3 ARG 70 far 0 88 0 - 8.1-12.0 HA ALA 63 - HB2 ARG 70 far 0 88 0 - 8.7-12.4 HA ARG 71 - HB3 ARG 66 far 0 97 0 - 9.6-12.3 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 7 assignments used, quality = 0.42: QD1 LEU 62 + HG2 ARG 66 OK 42 76 70 80 4.6-8.3 ~5374=31, ~5099=30...(8) QG2 VAL 76 - HB3 GLN 79 poor 18 59 30 - 4.0-10.6 QG1 VAL 76 - HB3 GLN 79 far 6 59 10 - 3.6-10.9 QD1 LEU 86 - HG2 ARG 66 far 0 98 0 - 7.5-35.0 HG LEU 51 - HG2 ARG 66 far 0 100 0 - 7.8-13.9 HG12 ILE 68 - HG2 ARG 66 far 0 73 0 - 8.0-9.9 QG2 VAL 76 - HG2 ARG 66 far 0 73 0 - 9.0-18.4 Violated in 12 structures by 0.79 A. Peak 5374 from cnoeabs.peaks (0.93, 3.19, 43.48 ppm; 4.28 A): 2 out of 54 assignments used, quality = 0.86: QD2 LEU 62 + HD2 ARG 66 OK 64 100 85 76 1.9-6.9 ~5373=31, 5958=25...(9) QD2 LEU 62 + HD3 ARG 66 OK 61 100 80 76 1.9-6.4 ~5373=31, 5958=25...(9) QD1 LEU 64 - HD2 ARG 27 poor 20 21 95 - 2.0-5.3 QD1 LEU 64 - HD3 ARG 27 poor 20 21 95 - 2.0-5.2 HG12 ILE 68 - HD3 ARG 71 poor 14 55 25 - 3.0-9.3 QG2 VAL 76 - HD3 ARG 70 far 9 91 10 - 5.0-13.9 HG12 ILE 68 - HD2 ARG 27 poor 9 44 20 - 4.4-9.3 QG2 VAL 41 - HD3 ARG 71 far 8 53 15 - 3.6-9.2 QG1 VAL 76 - HD3 ARG 70 far 5 91 5 - 3.2-12.9 QG1 VAL 76 - HD2 ARG 70 far 4 87 5 - 3.6-13.0 QD1 LEU 64 - HD3 ARG 71 far 3 27 10 - 4.6-8.6 QG1 VAL 76 - HD3 ARG 71 far 0 55 0 - 5.5-14.2 QG2 VAL 76 - HD2 ARG 70 far 0 87 0 - 5.5-13.9 HG12 ILE 68 - HD3 ARG 27 far 0 44 0 - 5.6-9.6 QG2 ILE 40 - HD3 ARG 71 far 0 56 0 - 5.6-9.9 QG2 ILE 40 - HD2 ARG 66 far 0 100 0 - 6.2-9.1 QG2 VAL 41 - HD3 ARG 70 far 0 88 0 - 6.7-10.1 QD1 LEU 64 - HD2 ARG 26 far 0 25 0 - 6.7-10.4 QD1 LEU 64 - HD2 ARG 66 far 0 60 0 - 6.8-10.0 QG1 VAL 76 - HD2 ARG 23 far 0 38 0 - 6.8-21.3 QD1 LEU 64 - HD3 ARG 70 far 0 50 0 - 6.8-11.2 QG2 VAL 41 - HD2 ARG 70 far 0 84 0 - 6.8-9.5 QG2 ILE 40 - HD3 ARG 66 far 0 100 0 - 6.8-8.7 QG2 ILE 40 - HD2 ARG 70 far 0 88 0 - 7.0-9.4 QG2 VAL 76 - HD3 ARG 66 far 0 100 0 - 7.1-17.8 QG2 VAL 41 - HD3 ARG 17 far 0 28 0 - 7.2-20.8 QD2 LEU 62 - HD2 ARG 70 far 0 88 0 - 7.3-13.9 QG2 ILE 40 - HD3 ARG 70 far 0 91 0 - 7.3-10.1 QG2 VAL 76 - HD3 ARG 71 far 0 55 0 - 7.4-15.4 HG12 ILE 68 - HD3 ARG 70 far 0 91 0 - 7.4-11.5 QD1 LEU 64 - HD3 ARG 26 far 0 25 0 - 7.4-10.1 QD1 LEU 64 - HD2 ARG 70 far 0 47 0 - 7.6-11.7 QD1 LEU 64 - HD3 ARG 66 far 0 60 0 - 7.9-10.0 HG12 ILE 68 - HD2 ARG 70 far 0 87 0 - 8.0-11.8 QG1 VAL 76 - HD3 ARG 23 far 0 38 0 - 8.0-22.1 HG12 ILE 68 - HD2 ARG 23 far 0 38 0 - 8.2-13.1 QD2 LEU 62 - HD3 ARG 70 far 0 91 0 - 8.4-14.0 QG2 VAL 41 - HD2 ARG 17 far 0 28 0 - 8.4-20.4 QG2 ILE 40 - HD2 ARG 27 far 0 44 0 - 8.5-12.0 QG2 VAL 76 - HD2 ARG 66 far 0 100 0 - 8.5-17.7 QG2 VAL 76 - HD2 ARG 23 far 0 38 0 - 8.5-22.8 QG2 VAL 41 - HD2 ARG 27 far 0 42 0 - 8.8-12.6 HG12 ILE 68 - HD3 ARG 23 far 0 38 0 - 8.8-13.4 QG1 VAL 76 - HD3 ARG 66 far 0 100 0 - 9.1-17.7 QG2 VAL 76 - HD3 ARG 23 far 0 38 0 - 9.1-23.5 QG2 ILE 40 - HD3 ARG 27 far 0 44 0 - 9.1-12.2 QG1 VAL 76 - HD2 ARG 27 far 0 44 0 - 9.2-22.1 HG12 ILE 68 - HD2 ARG 66 far 0 100 0 - 9.2-12.0 QG2 VAL 76 - HD3 ARG 17 far 0 29 0 - 9.4-34.2 QG2 VAL 41 - HD3 ARG 66 far 0 98 0 - 9.6-11.4 QG2 VAL 41 - HD2 ARG 66 far 0 98 0 - 9.7-11.8 HG12 ILE 68 - HD2 ARG 26 far 0 51 0 - 9.7-13.5 QG2 VAL 41 - HD3 ARG 27 far 0 42 0 - 9.9-12.6 QG1 VAL 76 - HD2 ARG 66 far 0 100 0 - 10.0-16.3 Violated in 5 structures by 0.19 A. Peak 5375 from cnoeabs.peaks (0.84, 1.88, 29.95 ppm; 4.39 A): 4 out of 18 assignments used, quality = 1.00: QD2 LEU 29 + HB3 ARG 26 OK 93 99 95 98 3.0-5.6 5349/3.0=37, ~5929=35...(22) QD2 LEU 29 + HB2 ARG 26 OK 93 100 95 98 4.1-5.8 5349/3.0=37, ~5929=35...(21) QD2 LEU 64 + HB3 ARG 27 OK 60 60 100 99 2.5-3.9 5028=56, 5015/4.3=40...(15) QD2 LEU 64 + HB2 ARG 27 OK 55 58 95 99 3.2-5.3 5028/1.8=56, 5015/4.3=40...(15) QD2 LEU 29 - HB2 ARG 27 far 0 58 0 - 5.6-6.3 QD2 LEU 29 - HB3 ARG 27 far 0 60 0 - 5.8-6.7 QD2 LEU 64 - HB2 ARG 26 far 0 100 0 - 7.1-8.2 QD2 LEU 64 - HB3 ARG 26 far 0 99 0 - 7.4-8.8 QD2 LEU 29 - HB2 ARG 23 far 0 60 0 - 7.7-9.6 QD2 LEU 64 - HB2 ARG 71 far 0 55 0 - 7.8-11.5 QD2 LEU 29 - HB3 ARG 23 far 0 63 0 - 7.9-9.1 QD2 LEU 64 - HB3 ARG 23 far 0 63 0 - 8.2-11.5 QD2 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.3-9.1 QD2 LEU 64 - HB2 ARG 23 far 0 60 0 - 8.4-11.8 QD2 LEU 64 - HB3 ARG 71 far 0 57 0 - 8.6-10.9 QD2 LEU 29 - HB2 ARG 71 far 0 55 0 - 9.8-13.8 QD1 LEU 43 - HB2 ARG 66 far 0 95 0 - 9.9-11.5 QD2 LEU 29 - HB3 ARG 71 far 0 57 0 - 10.0-14.2 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 = 0.98: QG2 ILE 33 + QD1 ILE 68 OK 98 100 100 98 3.7-4.7 4300/5247=81...(6) Violated in 0 structures by 0.00 A. Peak 5377 from cnoeabs.peaks (8.19, 0.78, 13.95 ppm; 5.27 A): 3 out of 4 assignments used, quality = 0.97: H ARG 27 + QD1 ILE 68 OK 82 97 90 95 4.1-6.3 5520/4758=65...(7) H ALA 28 + QD1 ILE 68 OK 73 73 100 100 3.7-5.1 2.9/4758=93, 5909=59...(12) H GLU 25 + QD1 ILE 68 OK 36 96 40 94 5.3-7.3 52/4760=73, 5511/4758=53...(6) H SER 22 - QD1 ILE 68 far 0 78 0 - 7.4-10.6 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 3.3-4.0 5379=99, 760/5047=59...(11) H ARG 70 + HA ARG 66 OK 47 76 65 94 4.0-5.8 940/5379=56, 4.3/5047=49...(10) H ALA 63 - HA ARG 66 far 0 100 0 - 7.2-7.9 H GLY 72 - HA ARG 66 far 0 92 0 - 7.5-8.9 H LYS 73 - HA ARG 66 far 0 81 0 - 7.9-10.2 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 3.2-3.7 5383=65, 5380/4169=38...(12) H GLU 25 + HA ASP 24 OK 73 73 100 100 3.4-3.6 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 2 assignments used, quality = 1.00: H ASP 24 + HA ASP 24 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 19 - HA ASP 24 far 0 89 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 5386 from cnoeabs.peaks (7.97, 4.12, 58.29 ppm; 4.12 A): 2 out of 10 assignments used, quality = 0.99: H ALA 30 + HA ARG 27 OK 98 99 100 99 3.2-4.0 2.9/5388=79, 5387=45...(11) H LEU 29 + HA ARG 27 OK 67 76 100 89 3.9-4.8 76/3.6=48, 78/5.0=34...(6) H LEU 29 - HA GLU 25 poor 18 36 95 54 3.9-5.0 3.6/4181=41, 76/69=17 H ALA 30 - HA GLU 25 far 0 53 0 - 6.2-7.2 H GLY 72 - HA GLU 25 far 0 45 0 - 8.0-12.0 H ALA 30 - HA ARG 23 far 0 71 0 - 8.0-10.4 H LEU 29 - HA ARG 23 far 0 49 0 - 8.1-9.1 H ARG 69 - HA GLU 25 far 0 53 0 - 8.9-11.8 H LYS 73 - HA GLU 25 far 0 37 0 - 9.7-14.2 H GLY 72 - HA ARG 23 far 0 61 0 - 9.8-14.5 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 2.6-3.0 4807=56, 5387/553=18...(8) HA ARG 23 - QB ALA 30 far 0 73 0 - 6.6-9.7 HA GLU 25 - QB ALA 30 far 0 93 0 - 7.1-7.9 Violated in 9 structures by 0.03 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 3.4-3.6 3.6=100 H LYS 75 - HA ARG 70 lone 1 81 25 7 3.3-8.2 804/5984=4, 3076/5061=3 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 10 assignments used, quality = 1.00: HA ILE 68 + HB2 ARG 71 OK 97 100 100 98 2.1-5.0 5389/4.0=51, 5985/2.8=44...(13) HA ILE 68 + HB3 ARG 71 OK 92 100 95 97 3.6-5.6 15389/4.0=51...(11) HD3 PRO 34 + HB3 PRO 34 OK 25 25 100 100 3.0-3.9 3.0=100 HA ILE 68 - HB3 ARG 27 far 0 100 0 - 5.7-9.3 HA ILE 68 - HB2 ARG 27 far 0 100 0 - 6.2-8.1 HA ILE 68 - HB3 ARG 23 far 0 78 0 - 6.2-12.9 HA ILE 68 - HB2 ARG 23 far 0 77 0 - 7.6-12.2 HA ILE 68 - HB2 ARG 66 far 0 56 0 - 7.8-8.5 HA ILE 68 - HB2 ARG 26 far 0 53 0 - 8.7-12.5 HD3 PRO 34 - HB2 ARG 17 far 0 24 0 - 8.8-26.7 Violated in 0 structures by 0.00 A. Peak 5394 from cnoeabs.peaks (1.57, 4.07, 58.59 ppm; 3.90 A): 1 out of 10 assignments used, quality = 0.66: HB3 LEU 29 + HA ARG 26 OK 66 97 70 98 4.6-5.3 1.8/5348=74, 4186=42...(12) HB3 LEU 29 - HA GLU 25 far 0 73 0 - 6.2-7.5 HG3 ARG 23 - HA ARG 71 far 0 51 0 - 6.6-15.6 HG3 ARG 23 - HA ARG 26 far 0 63 0 - 6.8-9.6 HG LEU 64 - HA GLU 25 far 0 40 0 - 7.2-9.1 HG3 ARG 23 - HA GLU 25 far 0 43 0 - 7.4-9.6 HG2 LYS 39 - HA GLU 25 far 0 57 0 - 8.6-12.3 HD3 LYS 39 - HA GLU 25 far 0 70 0 - 9.7-12.9 HG LEU 64 - HA ARG 26 far 0 60 0 - 9.8-10.7 HG LEU 64 - HA ARG 71 far 0 49 0 - 9.8-12.9 Violated in 20 structures by 0.87 A. Peak 5395 from cnoeabs.peaks (1.70, 4.07, 58.59 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.98: HB2 LEU 29 + HA ARG 26 OK 95 96 100 100 3.5-4.5 5348=88, 1.8/5394=73...(12) HG2 ARG 70 + HA ARG 71 OK 55 89 65 95 3.1-6.4 307/2.9=55, 2844/4.7=37...(17) HB2 LEU 29 - HA GLU 25 far 4 71 5 - 4.5-7.9 HB3 LEU 64 - HA GLU 25 far 0 76 0 - 8.2-10.6 HB3 LEU 64 - HA ARG 26 far 0 99 0 - 8.9-11.2 Violated in 7 structures by 0.05 A. Peak 5396 from cnoeabs.peaks (7.97, 4.07, 58.59 ppm; 4.36 A): 6 out of 14 assignments used, quality = 1.00: H ALA 30 + HA ARG 26 OK 92 93 100 98 3.4-5.0 81/5348=56, 82/5394=55...(11) H LEU 29 + HA ARG 26 OK 87 89 100 98 3.2-4.0 546/5348=63, 547/5394=57...(8) 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 46 64 100 71 3.9-5.0 3.6/4181=57, 76/5347=19 H ARG 70 + HA ARG 71 OK 37 77 55 87 5.0-5.5 303/2.9=71, 770/5395=19...(7) H LYS 73 + HA ARG 71 OK 21 51 100 42 4.2-5.2 5987/4.7=30, 942/2.9=12...(4) H VAL 76 - HA ARG 71 far 9 86 10 - 4.4-12.7 H ALA 30 - HA GLU 25 far 0 69 0 - 6.2-7.2 H ARG 69 - HA ARG 71 far 0 80 0 - 6.5-7.0 H LYS 32 - HA ARG 26 far 0 63 0 - 6.9-8.7 H LYS 32 - HA GLU 25 far 0 43 0 - 7.6-9.7 H GLY 72 - HA GLU 25 far 0 55 0 - 8.0-12.0 H ARG 69 - HA GLU 25 far 0 69 0 - 8.9-11.8 H LYS 73 - HA GLU 25 far 0 43 0 - 9.7-14.2 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 11 assignments used, quality = 0.96: HA GLN 79 + HB2 GLN 79 OK 88 88 100 100 2.3-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 67 67 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB3 GLN 79 far 10 64 15 - 3.9-6.6 HA ALA 78 - HB2 GLN 79 far 8 85 10 - 4.1-6.6 HA ARG 82 - HB3 GLN 79 far 0 46 0 - 5.8-12.0 HA ARG 82 - HB2 GLN 79 far 0 63 0 - 6.6-11.8 HA ARG 84 - HB2 GLN 79 far 0 78 0 - 7.6-17.5 HB THR 37 - HB2 GLN 79 far 0 56 0 - 8.9-33.5 HA ARG 84 - HB3 GLN 79 far 0 58 0 - 9.0-17.8 HA LYS 73 - HB2 GLN 79 far 0 70 0 - 9.2-21.5 HB THR 37 - HB3 GLN 79 far 0 40 0 - 9.5-33.9 Violated in 0 structures by 0.00 A. Peak 5402 from cnoeabs.peaks (0.93, 4.18, 56.67 ppm; 3.99 A): 1 out of 9 assignments used, quality = 0.38: QG2 VAL 41 + HA LYS 73 OK 38 96 40 99 3.4-5.6 2.1/5403=69, 5263/3.0=51...(15) QG2 VAL 76 - HA LYS 73 far 15 98 15 - 3.6-10.5 QG1 VAL 76 - HA LYS 73 far 10 98 10 - 4.2-9.5 QD1 LEU 64 - HA LEU 29 far 0 35 0 - 6.6-8.0 QG2 ILE 40 - HA LYS 73 far 0 99 0 - 7.1-8.8 QD2 LEU 62 - HA ARG 84 far 0 97 0 - 7.3-28.5 QG2 VAL 76 - HA ARG 82 far 0 53 0 - 7.5-15.3 HG12 ILE 68 - HA LEU 29 far 0 69 0 - 9.0-11.0 QG1 VAL 76 - HA ARG 82 far 0 53 0 - 9.6-16.8 Violated in 19 structures by 0.85 A. Peak 5403 from cnoeabs.peaks (0.80, 4.18, 56.67 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.99: QG1 VAL 41 + HA LYS 73 OK 99 99 100 100 2.1-4.1 2.1/5402=73, 5626=73...(16) QD1 ILE 89 - HA ARG 84 far 0 86 0 - 5.7-17.1 QD1 ILE 68 - HA LEU 29 far 0 59 0 - 6.5-8.0 QG2 ILE 68 - HA LYS 73 far 0 92 0 - 6.9-8.0 QG2 ILE 68 - HA LEU 29 far 0 62 0 - 8.0-10.2 QD1 ILE 68 - HA LYS 73 far 0 89 0 - 9.9-11.0 Violated in 1 structures by 0.00 A. Peak 5412 from cnoeabs.peaks (8.22, 1.38, 18.78 ppm; 3.49 A): 2 out of 23 assignments used, quality = 1.00: H ALA 77 + QB ALA 77 OK 100 100 100 100 2.0-2.8 2.9=100 H GLN 79 + QB ALA 78 OK 88 90 100 98 2.1-3.7 3.6=93, 3.0/5446=46...(7) H GLN 79 - QB ALA 77 poor 15 99 40 37 2.7-6.1 5857/3.6=19, 358=12...(7) H ALA 77 - QB ALA 78 far 9 91 10 - 3.6-5.8 H GLU 25 - QB ALA 20 far 8 80 10 - 4.0-8.4 H SER 22 - QB ALA 20 poor 8 96 30 27 2.6-5.9 3.5/6114=14, 3.5/6114=13 H THR 15 - QB ALA 16 far 7 49 15 - 3.8-5.9 H ALA 77 - QB ALA 20 far 5 100 5 - 4.2-25.5 H THR 15 - QB ALA 78 far 0 75 0 - 5.5-40.9 H SER 22 - QB ALA 77 far 0 97 0 - 5.7-23.1 H ALA 28 - QB ALA 20 far 0 98 0 - 5.9-12.1 H GLN 79 - QB ALA 16 far 0 62 0 - 6.4-40.0 H ALA 28 - QB ALA 16 far 0 59 0 - 7.0-17.2 H THR 15 - QB ALA 77 far 0 87 0 - 7.1-38.0 H SER 22 - QB ALA 16 far 0 58 0 - 7.3-16.0 H GLU 25 - QB ALA 77 far 0 81 0 - 7.6-21.4 H ARG 84 - QB ALA 78 far 0 64 0 - 8.0-15.6 H GLN 79 - QB ALA 20 far 0 99 0 - 8.2-31.3 H SER 22 - QB ALA 78 far 0 86 0 - 8.5-24.2 H THR 15 - QB ALA 20 far 0 86 0 - 9.0-17.0 H GLU 25 - QB ALA 16 far 0 44 0 - 9.2-16.6 H ALA 77 - QB ALA 16 far 0 63 0 - 9.7-34.2 H GLU 25 - QB ALA 78 far 0 69 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 5416 from cnoeabs.peaks (4.20, 2.33, 33.49 ppm; 3.77 A): 3 out of 9 assignments used, quality = 1.00: * HA GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.1-3.9 3.7=100 HA GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.6-4.2 3.7=100 HA ALA 78 + HG2 GLN 79 OK 27 98 45 62 3.5-6.8 2.1/5444=22, 3.6/5415=21...(6) HA ALA 78 - HG3 GLN 79 poor 16 98 30 55 3.2-7.2 3.6/5415=21, 2.1/5444=18...(5) HA ARG 82 - HG2 GLN 79 far 4 81 5 - 4.7-12.9 HA ARG 82 - HG3 GLN 79 far 0 81 0 - 6.0-13.3 HA ARG 84 - HG3 GLN 79 far 0 95 0 - 9.2-17.6 HA LYS 73 - HG2 GLN 79 far 0 87 0 - 9.3-22.0 HA ARG 84 - HG2 GLN 79 far 0 95 0 - 9.5-17.9 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 8 assignments used, quality = 1.00: * H GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.0-4.6 5.1=80, 824/3.0=50...(11) H GLN 79 + HG3 GLN 79 OK 99 100 100 99 1.9-4.7 5.1=80, 824/3.0=50...(9) H ALA 77 - HG3 GLN 79 poor 20 98 20 - 4.8-10.7 H ALA 77 - HG2 GLN 79 poor 9 98 25 36 4.7-10.0 4.3/5865=28, 2.9/5444=7, ~5444=3 H THR 15 - HG2 GLN 79 far 0 95 0 - 6.1-52.3 H THR 15 - HG3 GLN 79 far 0 95 0 - 6.5-51.8 H ARG 84 - HG2 GLN 79 far 0 87 0 - 7.0-16.9 H ARG 84 - HG3 GLN 79 far 0 87 0 - 7.6-16.7 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 - 8.9-20.3 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 3 assignments used, quality = 1.00: * HB2 ASN 80 + HA ASN 80 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 46 - HA ASN 80 far 0 100 0 - 8.1-33.6 HB2 ASN 80 - HA ASN 74 far 0 100 0 - 8.9-20.3 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 12 assignments used, quality = 0.44: HA ALA 78 + QG2 VAL 76 OK 44 97 60 76 3.2-7.3 5432/2.1=24, 2.9/5861=24...(12) HA ILE 89 - QG2 VAL 90 poor 20 40 50 - 3.2-5.5 HA ALA 78 - QG1 VAL 76 far 15 97 15 - 2.9-8.0 HA LYS 73 - QG2 VAL 76 far 13 89 15 - 3.6-10.5 HA ILE 89 - QG1 VAL 90 poor 11 41 50 55 3.5-5.6 412/4.0=36, 5432/2.1=30 HA GLN 79 - QG1 VAL 76 far 10 100 10 - 4.7-10.0 HA LYS 73 - QG1 VAL 76 far 9 88 10 - 4.2-9.5 HA GLN 79 - QG2 VAL 76 far 5 100 5 - 3.8-10.4 HB THR 15 - QG2 VAL 76 far 0 60 0 - 6.8-38.4 HA ARG 82 - QG2 VAL 76 far 0 83 0 - 7.5-15.3 HB THR 15 - QG1 VAL 76 far 0 59 0 - 8.3-36.6 HA ARG 82 - QG1 VAL 76 far 0 82 0 - 9.6-16.8 Violated in 13 structures by 1.00 A. Peak 5432 from cnoeabs.peaks (4.18, 2.04, 32.56 ppm; 4.48 A): 2 out of 7 assignments used, quality = 0.57: HA ILE 89 + HB VAL 90 OK 39 56 100 69 4.3-4.8 412/3.9=63, 5430/2.1=16 HA ALA 78 + HB VAL 76 OK 31 81 45 84 4.5-7.5 5430/2.1=62, 4.9/5436=21...(6) ! HA LYS 73 - HB VAL 76 far 10 99 10 - 4.7-12.1 HA LEU 29 - HB3 MET 31 far 2 39 5 - 5.1-7.0 HA GLN 79 - HB VAL 76 far 0 96 0 - 6.6-10.7 HA ALA 53 - HB VAL 90 far 0 46 0 - 7.3-58.3 HB THR 15 - HB VAL 76 far 0 87 0 - 7.6-43.9 Violated in 3 structures by 0.01 A. Peak 5435 from cnoeabs.peaks (1.37, 3.97, 62.83 ppm; 4.47 A): 3 out of 8 assignments used, quality = 1.00: QB ALA 77 + HA VAL 76 OK 100 100 100 100 3.9-4.8 2.9/349=86, 2.1/5856=37...(14) HG3 LYS 75 + HA VAL 76 OK 22 87 25 99 4.9-7.1 2.7/5853=51, ~340=40...(16) QB ALA 78 + HA VAL 76 OK 21 90 30 77 4.1-7.3 ~5430=33, ~5432=18...(8) HG2 LYS 75 - HA VAL 76 poor 17 87 20 - 3.3-7.0 HG3 LYS 73 - HA VAL 76 far 9 90 10 - 5.0-12.2 QB ALA 20 - HA VAL 76 far 5 99 5 - 4.8-26.1 HB3 ARG 69 - HA VAL 76 far 0 76 0 - 7.3-16.6 HG3 ARG 69 - HA VAL 76 far 0 100 0 - 9.0-15.8 Violated in 1 structures by 0.00 A. Peak 5436 from cnoeabs.peaks (1.37, 2.04, 32.56 ppm; 5.17 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 77 + HB VAL 76 OK 100 100 100 100 4.6-5.6 2.9/350=91, 5435/3.0=55...(13) QB ALA 78 + HB VAL 76 OK 56 95 65 91 3.3-7.8 ~5430=56, 2.1/5432=40...(8) HG3 LYS 73 - HB VAL 76 poor 18 95 25 75 2.5-13.5 3.8/15432=70, ~5846=8, ~5108=7 HG2 LYS 75 - HB VAL 76 far 9 92 10 - 5.1-8.4 QB ALA 20 - HB VAL 76 far 5 100 5 - 5.5-25.6 HG3 LYS 75 - HB VAL 76 far 5 92 5 - 5.9-8.3 QB ALA 53 - HB VAL 90 far 3 53 5 - 5.7-49.6 HG3 ARG 69 - HB VAL 76 far 0 100 0 - 6.6-15.1 QB ALA 16 - HB3 MET 31 far 0 54 0 - 7.0-21.4 HB3 ARG 69 - HB VAL 76 far 0 83 0 - 7.6-17.4 Violated in 2 structures by 0.03 A. Peak 5437 from cnoeabs.peaks (0.91, 4.23, 52.70 ppm; 4.34 A): 3 out of 14 assignments used, quality = 0.88: QG2 VAL 76 + HA ALA 77 OK 76 97 80 98 3.7-5.8 ~350=44, 351/3.0=35...(13) QG1 VAL 76 + HA ALA 77 OK 33 97 35 98 3.6-5.6 ~350=44, 352/3.0=35...(13) QG2 VAL 76 + HA ALA 78 OK 26 49 65 80 3.2-7.3 5861/2.9=29, 5430=28...(10) QG1 VAL 76 - HA ALA 78 poor 10 49 20 - 2.9-8.0 QG2 VAL 41 - HA ALA 20 far 0 30 0 - 7.0-15.6 QG1 VAL 76 - HA ALA 20 far 0 46 0 - 8.1-24.5 QG2 VAL 41 - HA ALA 77 far 0 71 0 - 8.3-16.0 QG2 ILE 40 - HA ALA 20 far 0 36 0 - 8.6-16.6 QG2 VAL 76 - HA ALA 20 far 0 46 0 - 8.6-26.0 HG12 ILE 68 - HA ALA 20 far 0 46 0 - 8.9-14.8 QG2 VAL 41 - HA ALA 78 far 0 32 0 - 9.0-18.4 QD2 LEU 62 - HA ALA 77 far 0 83 0 - 9.9-21.4 QG2 ILE 40 - HA ALA 78 far 0 39 0 - 10.0-20.4 QG2 ILE 40 - HA ALA 77 far 0 83 0 - 10.0-17.6 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 + HG2 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 79 + HG3 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): 2 out of 20 assignments used, quality = 0.83: QB ALA 78 + HG2 GLN 79 OK 65 100 80 81 3.5-6.4 5446/3.7=66, 3.6/5415=31...(5) QB ALA 78 + HG3 GLN 79 OK 52 100 65 81 4.0-6.6 5446/3.7=66, 3.6/5415=31...(5) QB ALA 77 - HG2 GLN 79 poor 15 99 55 28 3.4-7.6 5854/5865=9, 358/5.1=8...(5) QB ALA 77 - HG3 GLN 79 poor 10 99 45 22 3.0-7.8 358/5.1=8, 5854/5865=6...(5) HG3 ARG 69 - HG2 GLN 79 far 5 99 5 - 5.2-24.9 HG3 ARG 69 - HG3 GLN 79 far 0 99 0 - 6.1-24.4 HG2 LYS 83 - HG2 GLN 79 far 0 93 0 - 6.1-18.2 HB3 ARG 69 - HG2 GLN 79 far 0 96 0 - 6.6-25.7 HG2 LYS 83 - HG3 GLN 79 far 0 93 0 - 7.0-18.3 HG2 LYS 75 - HG2 GLN 79 far 0 99 0 - 7.1-16.8 HB3 ARG 69 - HG3 GLN 79 far 0 96 0 - 7.8-25.1 QB ALA 20 - HG2 GLN 79 far 0 100 0 - 7.9-31.7 HG2 LYS 75 - HG3 GLN 79 far 0 99 0 - 7.9-16.7 HG3 LYS 75 - HG3 GLN 79 far 0 99 0 - 8.1-16.2 QB ALA 16 - HG2 GLN 79 far 0 76 0 - 8.3-40.7 QB ALA 16 - HG3 GLN 79 far 0 76 0 - 8.3-40.3 HG3 LYS 75 - HG2 GLN 79 far 0 99 0 - 8.5-17.3 HG3 LYS 73 - HG2 GLN 79 far 0 100 0 - 9.0-22.2 HG3 LYS 73 - HG3 GLN 79 far 0 100 0 - 9.2-21.7 QB ALA 20 - HG3 GLN 79 far 0 100 0 - 9.3-31.2 Violated in 5 structures by 0.15 A. Peak 5445 from cnoeabs.peaks (8.21, 4.20, 56.12 ppm; 3.70 A): 1 out of 6 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 poor 15 61 25 - 3.4-6.6 H ALA 77 - HA GLN 79 far 0 97 0 - 5.4-8.9 H GLN 79 - HA ARG 82 far 0 74 0 - 7.7-11.8 H ARG 84 - HA GLN 79 far 0 90 0 - 7.9-15.3 H THR 15 - HA GLN 79 far 0 97 0 - 8.8-52.1 Violated in 0 structures by 0.00 A. Peak 5446 from cnoeabs.peaks (1.39, 4.20, 56.12 ppm; 3.72 A): 1 out of 14 assignments used, quality = 0.78: QB ALA 78 + HA GLN 79 OK 78 100 100 78 3.7-4.6 5.0=42, 5412/3.0=25...(7) HG2 LYS 83 - HA ARG 82 far 9 59 15 - 3.9-7.1 QB ALA 77 - HA GLN 79 lone 5 97 25 19 4.0-7.2 358/3.0=9, 5444/3.7=4...(5) HG2 LYS 83 - HA GLN 79 far 0 89 0 - 4.9-15.4 HG2 LYS 85 - HA ARG 82 far 0 70 0 - 6.6-13.0 QB ALA 78 - HA ARG 82 far 0 74 0 - 6.8-11.8 QB ALA 77 - HA ARG 82 far 0 69 0 - 8.2-14.8 QB ALA 20 - HA GLN 79 far 0 99 0 - 8.3-32.1 QB ALA 16 - HA GLN 79 far 0 68 0 - 8.3-40.7 HG2 LYS 75 - HA GLN 79 far 0 100 0 - 8.5-16.8 HG3 ARG 69 - HA GLN 79 far 0 98 0 - 8.7-22.4 HG2 LYS 85 - HA GLN 79 far 0 99 0 - 8.7-22.3 HB3 ARG 69 - HA GLN 79 far 0 98 0 - 8.9-24.8 HG3 LYS 39 - HA GLN 79 far 0 85 0 - 9.2-31.2 Violated in 17 structures by 0.20 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 3.9-4.5 4.4=100 H TYR 81 - HB VAL 76 far 5 98 5 - 7.3-13.8 H ARG 82 - HB VAL 76 far 0 97 0 - 9.4-17.3 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 2 assignments used, quality = 1.00: * HA TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.2-3.0 3.0=100 HA PRO 14 - HB3 TYR 81 far 0 100 0 - 9.9-56.2 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 7 assignments used, quality = 1.00: * HB3 TYR 81 + HA TYR 81 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HA TYR 81 far 0 96 0 - 7.2-57.8 HE3 LYS 13 - HA TYR 81 far 0 95 0 - 7.4-57.3 HE2 LYS 39 - HA TYR 81 far 0 100 0 - 8.5-34.5 HE2 LYS 75 - HA SER 22 far 0 79 0 - 8.5-26.1 HE3 LYS 75 - HA SER 22 far 0 77 0 - 9.7-26.4 HE3 LYS 39 - HA TYR 81 far 0 100 0 - 9.9-35.9 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 = 0.30: * HA ALA 78 + HB2 TYR 81 OK 30 100 30 100 4.5-11.4 5862=100, 6049/1.8=76...(6) HA GLN 79 - HB2 TYR 81 poor 20 98 20 - 5.1-8.8 HA ARG 84 - HB2 TYR 81 far 0 78 0 - 5.7-11.7 HA ALA 77 - HB2 TYR 81 far 0 65 0 - 7.3-14.7 HA LYS 85 - HB2 TYR 81 far 0 76 0 - 9.1-15.2 Violated in 19 structures by 3.14 A. Peak 5459 from cnoeabs.peaks (4.21, 2.98, 38.06 ppm; 4.69 A): 2 out of 4 assignments used, quality = 0.55: * HA ALA 78 + HB3 TYR 81 OK 35 100 35 100 2.8-10.2 6049=100, 5862/1.8=83...(6) HA GLN 79 + HB3 TYR 81 OK 31 98 55 58 4.6-8.1 5882/3.9=30, 5868/2.5=28...(4) HA ARG 84 - HB3 TYR 81 far 0 78 0 - 6.6-12.7 HA ALA 77 - HB3 TYR 81 far 0 65 0 - 7.2-13.3 Violated in 12 structures by 0.64 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 2 assignments used, quality = 1.00: * QD TYR 81 + HB2 TYR 81 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 48 - HB2 TYR 81 far 0 97 0 - 9.9-23.7 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 2 assignments used, quality = 1.00: * QD TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 48 - HB3 TYR 81 far 0 97 0 - 9.7-23.5 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 2.2-3.8 3.9=100 H ARG 82 + HB3 TYR 81 OK 100 100 100 100 3.5-4.5 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 2.3-3.9 3.9=100 H ARG 82 + HB2 TYR 81 OK 100 100 100 100 1.9-4.5 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 2.3-3.7 4674=97, 4.3/5474=39...(6) Violated in 3 structures by 0.01 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 2.8-2.9 3.0=100 H ARG 82 + HA TYR 81 OK 100 100 100 100 2.1-3.5 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 6 assignments used, quality = 0.99: HG2 ARG 82 + HB3 ARG 82 OK 99 100 100 99 2.3-3.0 2.9=94, 5885/3.0=34...(17) HB3 ARG 54 - HB2 PRO 34 far 0 76 0 - 6.5-10.2 HG2 LYS 39 - HB2 PRO 34 far 0 76 0 - 7.3-10.4 HG2 LYS 39 - HB3 ARG 17 far 0 57 0 - 9.2-20.9 HG LEU 64 - HB2 LYS 32 far 0 76 0 - 9.5-10.7 HG LEU 64 - HB3 LYS 32 far 0 76 0 - 9.9-12.0 Violated in 1 structures by 0.01 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 2.4-3.0 2.9=100 HB3 LEU 86 - HB2 ARG 82 far 0 60 0 - 10.0-16.7 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 2.2-3.7 3.8=100 HA ARG 84 - HG2 ARG 82 far 5 90 5 - 4.5-9.7 HA GLN 79 - HG2 ARG 82 far 3 60 5 - 2.1-11.6 HA LEU 29 - HG LEU 64 far 0 91 0 - 8.8-10.1 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): 3 out of 16 assignments used, quality = 0.99: HB2 ARG 82 + HG2 ARG 82 OK 92 100 100 92 2.4-3.0 2.9=63, 1.8/5479=51...(12) HB3 LEU 64 + HG LEU 64 OK 79 94 100 85 2.9-3.0 3.0=59, 3.0/2616=22...(8) HG2 ARG 23 + HG3 ARG 23 OK 54 54 100 100 1.8-1.8 1.8=100 HD3 LYS 13 - HG2 ARG 82 far 0 60 0 - 4.7-57.5 HB3 LYS 83 - HG2 ARG 82 far 0 76 0 - 5.3-8.5 HD2 LYS 13 - HG2 ARG 82 far 0 60 0 - 6.1-56.7 HG3 ARG 66 - HG LEU 64 far 0 94 0 - 6.2-9.1 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 6.2-13.3 HG2 ARG 70 - HG3 ARG 23 far 0 73 0 - 7.4-17.8 HB3 LYS 13 - HG2 ARG 82 far 0 94 0 - 7.9-60.7 HB3 LEU 64 - HG3 ARG 23 far 0 83 0 - 8.0-15.0 HG2 ARG 70 - HG LEU 64 far 0 84 0 - 8.1-11.7 HG LEU 29 - HG3 ARG 23 far 0 63 0 - 9.1-12.9 HG LEU 29 - HG LEU 64 far 0 73 0 - 9.1-10.1 HG2 ARG 23 - HG LEU 64 far 0 64 0 - 9.6-14.5 HB2 LEU 29 - HG LEU 64 far 0 69 0 - 9.9-11.6 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 14 assignments used, quality = 1.00: HB3 ARG 82 + HG2 ARG 82 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 26 - HG3 ARG 23 far 0 64 0 - 4.2-7.5 HB2 LYS 83 - HG2 ARG 82 far 0 93 0 - 5.3-7.6 HB ILE 33 - HG LEU 64 far 0 94 0 - 6.1-7.6 HG3 ARG 71 - HG3 ARG 23 far 0 70 0 - 6.2-15.2 HG3 ARG 71 - HG LEU 64 far 0 81 0 - 6.3-9.7 HB2 LEU 62 - HG LEU 64 far 0 71 0 - 6.8-9.3 HB2 LYS 13 - HG2 ARG 82 far 0 78 0 - 7.7-59.7 HB3 LYS 75 - HG3 ARG 23 far 0 63 0 - 7.7-23.5 HB2 LEU 57 - HG LEU 64 far 0 94 0 - 8.0-11.0 HG2 PRO 34 - HG LEU 64 far 0 91 0 - 9.3-12.1 HB2 LYS 32 - HG LEU 64 far 0 92 0 - 9.5-10.7 HG3 ARG 26 - HG LEU 64 far 0 75 0 - 9.6-12.5 HB3 LYS 32 - HG LEU 64 far 0 92 0 - 9.9-12.0 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 8 assignments used, quality = 0.75: H ARG 84 + HA LYS 83 OK 75 75 100 100 2.1-3.6 3.6=100 H ARG 84 - HA LYS 85 poor 14 41 65 51 4.5-5.8 ~377=31, ~6062=16, 367=15 H THR 15 - HA ARG 17 far 0 54 0 - 6.3-8.9 H GLU 25 - HA GLU 19 far 0 83 0 - 7.6-12.5 H THR 15 - HA GLU 19 far 0 76 0 - 8.5-15.7 H ILE 89 - HA LYS 85 far 0 51 0 - 8.8-13.2 H ARG 27 - HA ARG 17 far 0 80 0 - 9.0-19.1 H ARG 27 - HA GLU 19 far 0 100 0 - 9.6-14.9 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 11 assignments used, quality = 0.98: QB ALA 16 + HA ARG 17 OK 96 100 100 96 3.7-4.3 5.0=89, ~22=56...(4) QB ALA 20 + HA GLU 19 OK 64 64 100 100 3.7-5.0 4.5=100 QB ALA 16 - HA GLU 19 far 8 80 10 - 4.7-9.2 QB ALA 20 - HA ARG 17 far 4 87 5 - 5.1-10.3 QB ALA 77 - HA GLU 19 far 3 67 5 - 4.5-27.9 QB ALA 78 - HA ARG 17 far 3 63 5 - 5.3-35.4 QB ALA 28 - HA GLU 19 far 3 58 5 - 5.6-11.7 QB ALA 78 - HA GLU 19 far 2 44 5 - 5.6-30.4 QB ALA 77 - HA ARG 17 far 0 90 0 - 6.6-32.9 QB ALA 28 - HA ARG 17 far 0 81 0 - 6.9-15.0 QB ALA 12 - HA ARG 17 far 0 65 0 - 9.8-15.1 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 2.1-4.2 5.0=100 H LYS 75 - HG2 ARG 70 far 0 100 0 - 6.1-10.6 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 12 assignments used, quality = 1.00: H ARG 71 + HG3 ARG 70 OK 100 100 100 100 2.1-4.9 307/1.8=87, 5.0=71...(16) H LYS 85 + HG2 ARG 84 OK 59 73 90 89 3.5-5.5 377/3.9=57, 378/3.0=37...(6) H LYS 85 + HG3 ARG 84 OK 59 73 90 89 3.4-5.8 377/3.9=57, 378/3.0=37...(6) H ARG 26 + HG2 ARG 26 OK 34 34 100 100 2.4-3.4 4.9=74, 530/1.8=55...(22) H THR 88 - HG LEU 86 poor 17 57 30 - 4.2-8.9 H ARG 26 - HG2 ARG 27 poor 13 44 50 60 4.0-7.3 5380/5.0=43, 529=9...(7) H ARG 26 - HG3 ARG 27 poor 11 43 25 - 3.9-7.2 H LYS 75 - HG3 ARG 70 far 5 92 5 - 4.8-11.5 H LYS 85 - HG LEU 86 far 4 89 5 - 3.9-8.7 H ARG 71 - HG3 ARG 27 far 0 71 0 - 9.0-12.5 H ARG 71 - HG2 ARG 27 far 0 73 0 - 9.3-13.2 H ARG 26 - HG2 ARG 17 far 0 69 0 - 9.6-18.0 Violated in 0 structures by 0.00 A. Peak 5490 from cnoeabs.peaks (7.95, 3.21, 43.49 ppm; 5.13 A): 6 out of 22 assignments used, quality = 1.00: H ARG 70 + HD2 ARG 70 OK 100 100 100 100 3.7-5.4 770/3.0=87, 2872/3.0=79...(19) H ARG 70 + HD3 ARG 70 OK 100 100 100 100 3.5-5.8 770/3.0=87, 2872/3.0=79...(19) H ASP 67 + HD2 ARG 66 OK 42 61 70 99 3.4-6.5 280/3.0=61, 5802/3.0=42...(13) H ASP 67 + HD3 ARG 66 OK 40 58 70 99 4.5-6.5 280/3.0=61, 5802/3.0=42...(13) H ASP 67 + HD2 ARG 70 OK 29 76 40 94 4.4-9.5 ~5049=44, ~5052=42...(11) H ASP 67 + HD3 ARG 70 OK 21 76 30 94 5.0-9.7 ~5049=44, ~5052=42...(11) H ARG 69 - HD2 ARG 70 poor 18 60 30 - 5.3-7.8 H ALA 63 - HD2 ARG 66 poor 15 59 25 - 5.4-7.5 H ALA 63 - HD3 ARG 66 poor 11 56 20 - 4.0-7.5 H ARG 69 - HD3 ARG 70 far 6 60 10 - 5.7-8.0 H VAL 76 - HD2 ARG 70 far 5 99 5 - 5.8-15.1 H ARG 70 - HD3 ARG 71 far 3 58 5 - 5.7-7.5 H VAL 76 - HD3 ARG 71 far 3 57 5 - 5.4-15.9 H ARG 69 - HD3 ARG 71 far 1 28 5 - 5.8-8.2 H VAL 76 - HD3 ARG 70 far 0 99 0 - 6.1-14.7 H ARG 70 - HD3 ARG 66 far 0 85 0 - 6.4-9.5 H ARG 69 - HD2 ARG 66 far 0 47 0 - 6.4-8.6 H ARG 70 - HD2 ARG 66 far 0 89 0 - 6.6-10.0 H ASP 67 - HD3 ARG 71 far 0 37 0 - 6.6-8.7 H ARG 69 - HD3 ARG 66 far 0 44 0 - 6.9-8.4 H ALA 63 - HD2 ARG 70 far 0 73 0 - 9.4-15.8 H LEU 29 - HD3 ARG 71 far 0 58 0 - 9.6-16.7 Violated in 0 structures by 0.00 A. Peak 5494 from cnoeabs.peaks (3.93, 4.26, 52.94 ppm; 4.49 A): 2 out of 12 assignments used, quality = 0.83: HA3 GLY 21 + HA ALA 20 OK 59 90 100 66 4.3-4.7 4800=27, 1.8/4800=24...(4) HA2 GLY 21 + HA ALA 20 OK 58 89 100 66 4.4-5.3 1.8/4800=27, 4800=24...(4) HA3 GLY 18 - HA ALA 20 far 5 99 5 - 5.4-7.7 HA3 GLY 18 - HA ALA 77 far 2 48 5 - 3.8-38.0 HA2 GLY 18 - HA ALA 77 far 2 47 5 - 2.6-37.4 HA2 GLY 18 - HA ALA 20 far 0 99 0 - 5.7-8.0 HA THR 37 - HA ALA 20 far 0 100 0 - 6.0-16.2 HA2 GLY 72 - HA ALA 20 far 0 63 0 - 7.1-18.8 HA ALA 28 - HA ALA 20 far 0 76 0 - 8.2-15.8 HA3 GLY 21 - HA ALA 77 far 0 39 0 - 8.3-31.9 HA2 GLY 72 - HA ALA 77 far 0 24 0 - 8.9-17.9 HA2 GLY 21 - HA ALA 77 far 0 38 0 - 9.5-30.7 Violated in 0 structures by 0.00 A. Peak 5495 from cnoeabs.peaks (1.62, 3.95, 45.26 ppm; 5.46 A): 2 out of 17 assignments used, quality = 0.48: HG2 ARG 17 + HA3 GLY 18 OK 28 66 50 85 4.2-6.9 2.9/5496=37, 2.9/4150=30...(6) HG2 ARG 17 + HA2 GLY 18 OK 28 64 50 87 3.4-6.8 2.9/5496=38, 2.9/4150=30...(7) HG3 ARG 17 - HA2 GLY 18 poor 20 64 35 87 4.7-7.2 2.9/5496=38, 2.9/4150=30...(7) HG3 ARG 17 - HA3 GLY 18 poor 17 67 30 85 4.0-7.1 2.9/5496=37, 2.9/4150=30...(6) HG2 ARG 26 - HA2 GLY 21 poor 15 100 45 33 4.1-9.9 1.8/4150=9, 3.0/5286=8...(5) HG2 ARG 26 - HA3 GLY 21 poor 11 100 35 30 4.8-9.9 1.8/4150=8, 5925/4151=7...(5) HG2 ARG 71 - HA3 GLY 21 far 5 100 5 - 5.8-19.5 HG2 ARG 26 - HA3 GLY 18 far 0 67 0 - 6.4-19.0 HG2 ARG 71 - HA2 GLY 21 far 0 100 0 - 6.7-18.6 HG2 ARG 26 - HA2 GLY 18 far 0 65 0 - 6.7-18.8 HG3 ARG 70 - HA3 GLY 21 far 0 97 0 - 8.2-22.8 HG3 ARG 70 - HA2 GLY 21 far 0 97 0 - 9.0-22.0 HG2 ARG 27 - HA3 GLY 21 far 0 98 0 - 9.1-14.9 HG2 ARG 17 - HA2 GLY 21 far 0 100 0 - 9.2-17.0 HG2 ARG 27 - HA2 GLY 21 far 0 98 0 - 9.5-14.3 HG3 ARG 27 - HA2 GLY 21 far 0 97 0 - 9.6-15.0 HG3 ARG 27 - HA3 GLY 21 far 0 97 0 - 9.9-14.2 Violated in 12 structures by 0.22 A. Peak 5496 from cnoeabs.peaks (1.86, 3.95, 45.26 ppm; 5.14 A): 2 out of 37 assignments used, quality = 0.53: HB2 ARG 17 + HA2 GLY 18 OK 32 42 100 76 4.1-6.0 1.8/4150=32, ~4150=25...(7) HB2 ARG 17 + HA3 GLY 18 OK 31 44 100 72 4.1-5.8 1.8/4150=32, ~4150=25...(6) HB2 ARG 71 - HA3 GLY 21 far 10 97 10 - 4.4-17.8 HB2 ARG 71 - HA2 GLY 21 far 10 97 10 - 5.6-16.4 HB3 ARG 23 - HA2 GLY 21 far 9 92 10 - 5.3-9.9 HB2 ARG 23 - HA2 GLY 21 far 9 90 10 - 3.9-9.7 HB3 ARG 71 - HA3 GLY 21 far 5 98 5 - 3.7-17.9 HB3 ARG 71 - HA2 GLY 21 far 5 98 5 - 4.5-16.7 HB3 ARG 23 - HA3 GLY 21 far 5 92 5 - 5.9-10.2 HB2 ARG 23 - HA3 GLY 21 far 5 90 5 - 5.4-9.6 HB3 ARG 26 - HA3 GLY 21 far 4 87 5 - 4.6-12.3 HB3 ARG 26 - HA2 GLY 21 far 4 87 5 - 5.9-12.2 HB2 LYS 75 - HA3 GLY 21 far 4 83 5 - 4.8-27.9 HB2 LYS 75 - HA2 GLY 21 far 4 83 5 - 5.5-27.9 HB2 ARG 26 - HA3 GLY 18 far 0 54 0 - 6.0-19.3 HB3 ARG 26 - HA3 GLY 18 far 0 52 0 - 6.1-20.3 HB2 ARG 26 - HA3 GLY 21 far 0 89 0 - 6.2-11.7 HB2 LYS 39 - HA2 GLY 18 far 0 62 0 - 6.4-18.1 HB2 ARG 26 - HA2 GLY 21 far 0 89 0 - 6.5-11.5 HB2 LYS 39 - HA3 GLY 18 far 0 64 0 - 7.1-18.4 HB3 ARG 26 - HA2 GLY 18 far 0 50 0 - 7.8-20.2 HB2 ARG 26 - HA2 GLY 18 far 0 51 0 - 7.8-19.3 HB2 LYS 75 - HA2 GLY 18 far 0 47 0 - 8.3-32.4 HB2 ARG 27 - HA3 GLY 21 far 0 97 0 - 8.7-12.7 HB3 PRO 14 - HA2 GLY 18 far 0 40 0 - 8.7-15.7 HB2 ARG 27 - HA2 GLY 21 far 0 97 0 - 8.8-12.2 HB3 PRO 14 - HA3 GLY 18 far 0 42 0 - 9.1-15.7 HB3 ARG 27 - HA3 GLY 21 far 0 98 0 - 9.3-14.4 HB2 LYS 75 - HA3 GLY 18 far 0 49 0 - 9.3-33.1 HB3 ARG 27 - HA2 GLY 18 far 0 61 0 - 9.5-19.6 HB2 ARG 17 - HA2 GLY 21 far 0 76 0 - 9.5-15.7 HB3 PRO 34 - HA2 GLY 18 far 0 59 0 - 9.5-23.7 HB2 ARG 27 - HA3 GLY 18 far 0 62 0 - 9.5-18.6 HB3 ARG 27 - HA2 GLY 21 far 0 98 0 - 9.6-13.7 HB3 ARG 27 - HA3 GLY 18 far 0 63 0 - 9.7-20.1 HB2 ARG 27 - HA2 GLY 18 far 0 60 0 - 9.9-19.0 HB3 PRO 34 - HA3 GLY 18 far 0 61 0 - 9.9-23.2 Violated in 0 structures by 0.00 A. Peak 5497 from cnoeabs.peaks (1.87, 3.89, 63.89 ppm; 5.61 A): 2 out of 10 assignments used, quality = 0.74: HB2 ARG 23 + HB3 SER 22 OK 59 78 90 83 3.8-6.9 4.2/5320=59, ~5499=34...(4) HB3 ARG 23 + HB3 SER 22 OK 37 81 55 84 4.4-7.1 4.2/5320=59, ~5499=36...(4) HB3 ARG 71 - HB3 SER 22 far 9 92 10 - 6.1-13.1 HB2 ARG 26 - HB3 SER 22 far 5 97 5 - 6.0-9.8 HB2 ARG 71 - HB3 SER 22 far 5 90 5 - 6.0-13.1 HB3 ARG 26 - HB3 SER 22 far 0 96 0 - 7.1-11.0 HB2 ARG 27 - HB3 SER 22 far 0 90 0 - 7.7-10.8 HB ILE 68 - HB3 SER 22 far 0 63 0 - 8.1-14.2 HB2 LYS 75 - HB3 SER 22 far 0 68 0 - 8.7-22.3 HB3 ARG 27 - HB3 SER 22 far 0 92 0 - 8.9-12.3 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 = 0.87: HG2 GLU 25 + HB3 SER 22 OK 87 98 90 99 2.0-7.7 523/5084=56, 5500/3.0=53...(9) Violated in 5 structures by 0.36 A. Peak 5499 from cnoeabs.peaks (1.84, 4.01, 63.89 ppm; 5.30 A): 2 out of 8 assignments used, quality = 0.95: HB2 ARG 23 + HB2 SER 22 OK 80 100 100 81 3.9-6.2 4.2/4156=61, ~5497=23...(4) HB3 ARG 23 + HB2 SER 22 OK 74 99 90 83 4.5-6.5 4.2/4156=61, ~5497=36...(4) HB3 ARG 71 - HB2 SER 22 poor 19 96 20 - 4.8-12.3 HB2 ARG 71 - HB2 SER 22 far 5 97 5 - 5.0-11.9 HB2 ARG 27 - HB2 SER 22 far 0 97 0 - 6.6-9.7 HB3 ARG 27 - HB2 SER 22 far 0 96 0 - 7.9-11.2 HB2 LYS 75 - HB2 SER 22 far 0 100 0 - 9.1-22.0 HB2 LYS 73 - HB2 SER 22 far 0 85 0 - 9.2-16.8 Violated in 0 structures by 0.00 A. Peak 5500 from cnoeabs.peaks (2.27, 4.45, 58.33 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.70: HG2 GLU 25 + HA SER 22 OK 58 92 65 97 2.5-7.0 3.0/4153=64, 5498/3.0=50...(11) HG3 GLU 25 + HA SER 22 OK 30 63 50 95 3.8-7.3 3.0/4153=64, ~5498=37...(11) Violated in 8 structures by 0.32 A. Peak 5501 from cnoeabs.peaks (8.34, 4.45, 58.33 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.92: H ASP 24 + HA SER 22 OK 92 100 100 92 3.9-5.1 4156/3.0=65, 5320/3.0=52...(5) H LYS 83 - HA TYR 81 poor 14 70 20 - 3.7-6.6 H GLU 19 - HA SER 22 far 0 96 0 - 6.6-12.1 Violated in 4 structures by 0.03 A. Peak 5503 from cnoeabs.peaks (4.46, 4.13, 58.01 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.94: HA SER 22 + HA ARG 23 OK 79 97 100 82 4.3-4.9 5501/3.6=68, ~5497=24...(4) HA ASP 24 + HA ARG 23 OK 53 63 100 85 4.7-4.9 4169/5345=42, ~44=27...(10) HA ASP 24 + HA ARG 27 OK 38 40 100 96 5.1-6.2 6057/3.6=62, 5383/3.0=36...(15) HA SER 22 - HA ARG 27 far 0 68 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 5505 from cnoeabs.peaks (1.87, 2.56, 40.55 ppm; 5.56 A): 5 out of 10 assignments used, quality = 0.99: HB2 ARG 27 + HB2 ASP 24 OK 84 90 100 93 3.8-5.4 4157/3.0=43...(13) HB3 ARG 27 + HB2 ASP 24 OK 70 92 85 90 4.3-7.1 ~4157=37, 5974/4760=34...(11) HB3 ARG 23 + HB2 ASP 24 OK 57 81 75 94 5.4-7.5 4.2/517=85, 4157/3.0=26...(6) HB ILE 68 + HB2 ASP 24 OK 41 63 65 100 4.4-7.3 3.2/4760=89, 2.9/5976=67...(9) HB2 ARG 23 + HB2 ASP 24 OK 41 78 55 94 5.2-7.3 4.2/517=85, ~4157=22...(7) HB2 ARG 71 - HB2 ASP 24 lone 11 90 85 14 3.4-7.5 5927/4760=8, 5096/4752=3 HB3 ARG 71 - HB2 ASP 24 lone 5 92 75 7 3.6-8.3 5927/4760=3, 5096/4752=2 HB2 ARG 26 - HB2 ASP 24 far 0 97 0 - 6.5-9.2 HB3 ARG 26 - HB2 ASP 24 far 0 96 0 - 8.1-9.2 HB2 LYS 75 - HB2 ASP 24 far 0 68 0 - 8.6-19.4 Violated in 0 structures by 0.00 A. Peak 5506 from cnoeabs.peaks (1.87, 2.59, 40.55 ppm; 5.48 A): 4 out of 12 assignments used, quality = 0.97: HB2 ARG 27 + HB3 ASP 24 OK 67 81 100 83 4.8-6.3 4157/3.0=37, 4833/53=23...(9) HB2 ARG 23 + HB3 ASP 24 OK 61 65 100 94 4.1-6.1 4.2/518=84, ~4157=21...(7) HB3 ARG 23 + HB3 ASP 24 OK 60 68 95 93 4.2-6.4 4.2/518=84, 4157/3.0=22...(6) HB3 ARG 27 + HB3 ASP 24 OK 39 83 60 78 5.7-8.0 ~4157=36, ~5187=19...(7) HB ILE 68 - HB3 ASP 24 far 11 76 15 - 4.8-8.7 HB2 ARG 71 - HB3 ASP 24 lone 3 81 80 5 2.1-8.1 5096/4752=3 HB3 ARG 71 - HB3 ASP 24 lone 2 83 75 4 2.6-8.2 5096/4752=2 HB2 ARG 26 - HB3 ASP 24 far 0 99 0 - 6.4-9.3 HB2 MET 11 - HB3 ASP 47 far 0 54 0 - 7.3-44.1 HB3 ARG 26 - HB3 ASP 24 far 0 99 0 - 8.0-9.3 HB2 LYS 39 - HB3 ASP 47 far 0 44 0 - 8.4-10.8 HB3 PRO 14 - HB3 ASP 47 far 0 52 0 - 9.1-35.1 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 = 0.98: QG2 ILE 68 + HB2 ASP 24 OK 88 90 100 97 1.9-5.1 2.9/4760=70, 3.2/5508=44...(10) QD1 ILE 68 + HB2 ASP 24 OK 86 96 90 100 2.8-5.5 4760=96, 2.1/5508=53...(15) QG1 VAL 41 - HB2 ASP 24 far 0 100 0 - 6.7-9.5 Violated in 2 structures by 0.01 A. Peak 5508 from cnoeabs.peaks (0.94, 2.56, 40.55 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.88: HG12 ILE 68 + HB2 ASP 24 OK 84 85 100 99 2.1-4.4 2.1/4760=84, 1.8/5976=49...(10) QD1 LEU 64 + HB2 ASP 24 OK 29 92 95 33 3.1-5.5 6102/5976=20...(4) QG2 VAL 41 - HB2 ASP 24 far 15 100 15 - 4.9-7.4 QG2 ILE 40 - HB2 ASP 24 far 0 97 0 - 6.1-8.5 QG1 VAL 76 - HB2 ASP 24 far 0 85 0 - 9.1-16.9 QG2 VAL 76 - HB2 ASP 24 far 0 85 0 - 10.0-18.5 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 7 assignments used, quality = 1.00: H ARG 26 + HG2 GLU 25 OK 100 100 100 100 2.1-4.7 58=100, 3.6/1332=89...(7) H ALA 78 - HG3 GLU 19 far 0 54 0 - 8.1-33.9 H ALA 78 - HG2 GLU 19 far 0 54 0 - 8.5-33.8 H ALA 78 - HG2 GLU 25 far 0 95 0 - 8.6-31.0 H ARG 26 - HG2 GLU 19 far 0 61 0 - 8.7-13.8 H ARG 26 - HG3 GLU 19 far 0 61 0 - 8.8-13.1 H ARG 71 - HG2 GLU 25 far 0 60 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 5512 from cnoeabs.peaks (1.35, 2.30, 36.07 ppm; 5.29 A): 1 out of 5 assignments used, quality = 0.91: QB ALA 28 + HG3 GLU 25 OK 91 97 95 99 3.9-6.4 4181/1333=82...(8) QB ALA 20 - HG3 GLU 25 poor 8 63 55 24 2.1-7.8 5514/1.8=10, 4167/3.0=6...(4) QB ALA 77 - HG3 GLU 25 far 3 68 5 - 6.0-23.3 QB ALA 16 - HG3 GLU 25 far 0 97 0 - 7.8-15.1 HB2 LEU 52 - HG3 GLU 59 far 0 67 0 - 8.0-11.3 Violated in 10 structures by 0.28 A. Peak 5513 from cnoeabs.peaks (1.16, 2.30, 36.07 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.88: QG2 THR 37 + HG3 GLU 25 OK 88 99 90 100 1.9-6.4 4164/1.8=85...(9) QG2 THR 88 - HG3 GLU 59 far 3 62 5 - 5.8-40.3 HG12 ILE 89 - HG3 GLU 59 far 0 55 0 - 9.5-50.1 Violated in 5 structures by 0.18 A. Peak 5514 from cnoeabs.peaks (1.36, 2.26, 36.07 ppm; 5.08 A): 3 out of 17 assignments used, quality = 0.90: QB ALA 28 + HG2 GLU 25 OK 77 78 100 99 4.2-5.9 4181/1332=66...(8) QB ALA 20 + HG2 GLU 19 OK 40 49 90 90 4.2-6.2 ~29=43, ~31=26, ~30=26...(10) QB ALA 20 + HG3 GLU 19 OK 27 49 60 91 4.0-6.5 ~29=43, ~31=26, ~30=26...(11) QB ALA 20 - HG2 GLU 25 poor 20 89 45 50 2.6-8.1 4.8/5284=21, 4.8/5284=20...(6) QB ALA 77 - HG2 GLU 25 far 5 92 5 - 5.9-24.3 QB ALA 16 - HG3 GLU 19 far 3 62 5 - 3.5-11.3 QB ALA 16 - HG2 GLU 19 far 3 62 5 - 4.4-11.6 QB ALA 28 - HG3 GLU 19 far 2 41 5 - 5.5-13.1 QB ALA 28 - HG2 GLU 19 far 2 41 5 - 5.9-12.6 QB ALA 77 - HG2 GLU 19 far 0 52 0 - 6.4-28.7 QB ALA 77 - HG3 GLU 19 far 0 52 0 - 6.4-29.1 QB ALA 78 - HG3 GLU 19 far 0 33 0 - 7.3-29.7 QB ALA 78 - HG2 GLU 25 far 0 65 0 - 7.9-27.7 QB ALA 78 - HG2 GLU 19 far 0 33 0 - 8.0-29.7 HG2 LYS 75 - HG2 GLU 25 far 0 60 0 - 8.3-25.0 HG3 LYS 75 - HG2 GLU 25 far 0 60 0 - 8.7-24.1 QB ALA 16 - HG2 GLU 25 far 0 100 0 - 8.8-16.0 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (1.17, 2.05, 29.32 ppm; 6.50 A): 4 out of 6 assignments used, quality = 1.00: QG2 THR 37 + HB2 GLU 25 OK 100 100 100 100 2.7-6.1 5105/3.0=100...(10) QG2 THR 37 + HB3 GLU 25 OK 100 100 100 100 2.2-5.3 5105/3.0=100...(9) HG LEU 52 + HB2 GLU 50 OK 29 52 100 55 6.4-7.0 204/5698=31, 5690/4.7=31 HG LEU 52 + HB3 GLU 50 OK 28 52 95 57 6.9-7.5 204/5698=31, 5690/4.7=31...(4) QG2 THR 15 - HB3 GLU 25 far 0 87 0 - 8.8-18.0 QG2 THR 15 - HB2 GLU 25 far 0 87 0 - 10.0-19.0 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 8 53 15 - 3.4-10.3 HA ARG 17 - HG2 GLU 19 far 8 53 15 - 4.0-10.5 HA ASP 38 - HG2 GLU 25 far 0 95 0 - 5.7-11.5 HA ALA 16 - HG3 GLU 19 far 0 48 0 - 6.0-13.5 HA ASP 38 - HG2 GLU 19 far 0 54 0 - 6.1-19.9 HA ALA 16 - HG2 GLU 19 far 0 48 0 - 6.5-13.8 HA ASP 38 - HG3 GLU 19 far 0 54 0 - 6.7-20.2 HA PRO 34 - HG3 GLU 19 far 0 38 0 - 8.3-22.2 HA PRO 34 - HG2 GLU 19 far 0 38 0 - 9.4-23.2 HA ARG 17 - HG2 GLU 25 far 0 93 0 - 9.7-16.1 Violated in 17 structures by 1.56 A. Peak 5518 from cnoeabs.peaks (7.70, 4.12, 58.29 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.97: H MET 31 + HA ARG 27 OK 97 99 100 98 3.9-4.5 3.6/5388=88, 86/5386=41...(7) H MET 31 - HA GLU 25 far 0 54 0 - 7.1-8.2 H MET 31 - HA ARG 23 far 0 72 0 - 9.5-12.0 H GLN 61 - HA ARG 27 far 0 87 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 5524 from cnoeabs.peaks (2.60, 4.12, 58.29 ppm; 5.28 A): 3 out of 9 assignments used, quality = 0.93: HG2 MET 31 + HA ARG 27 OK 74 83 100 89 3.2-4.6 6116/5388=53...(4) HB3 ASP 24 + HA ARG 23 OK 55 60 100 92 5.4-5.9 518/3.6=78, 5506/3.0=15...(9) HB3 ASP 24 + HA GLU 25 OK 42 44 100 97 4.3-5.6 53/2.9=81, ~52=68...(6) HB3 ASP 38 - HA GLU 25 far 0 44 0 - 7.1-10.6 HB2 ASP 38 - HA GLU 25 far 0 45 0 - 7.4-10.2 HB3 ASP 24 - HA ARG 27 far 0 89 0 - 7.7-8.5 HG2 MET 31 - HA GLU 25 far 0 40 0 - 7.8-10.0 HG2 GLN 61 - HA ARG 27 far 0 100 0 - 9.4-12.3 HG2 MET 31 - HA ARG 23 far 0 55 0 - 9.7-12.6 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 3.8-4.1 86/3.6=78, 5525/3.0=57...(10) H ASN 42 - HA LYS 73 far 0 74 0 - 7.2-9.2 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 3.2-5.4 1.8/4176=95, 4.0/4182=63...(12) HB3 GLU 25 - HA ALA 28 far 0 100 0 - 6.8-8.1 HB3 GLU 19 - HA ALA 28 far 0 81 0 - 6.9-17.6 HB2 GLU 25 - HA ALA 28 far 0 99 0 - 7.0-8.2 Violated in 1 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 3.1-5.5 3.0/4176=88, 3.0/5529=76...(12) Violated in 0 structures by 0.00 A. Peak 5531 from cnoeabs.peaks (2.06, 1.34, 17.80 ppm; 4.92 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 25 + QB ALA 28 OK 96 97 100 100 3.8-5.2 3.0/4181=90, 3.0/5512=53...(15) HB2 GLU 25 + QB ALA 28 OK 95 96 100 100 4.0-5.5 3.0/4181=90, 3.0/5512=53...(15) HB3 MET 31 + QB ALA 28 OK 55 100 55 100 4.6-6.5 5529/2.1=67...(10) HB3 GLU 19 - QB ALA 28 far 3 65 5 - 4.0-12.9 HG2 PRO 36 - QB ALA 28 far 0 63 0 - 5.8-7.9 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 = 0.93: QG2 THR 37 + QB ALA 28 OK 93 95 100 99 2.0-3.5 6128=95, 5105/4181=40...(13) QG2 VAL 65 - QB ALA 28 far 0 63 0 - 4.7-6.1 QG2 THR 15 - QB ALA 28 far 0 99 0 - 6.5-15.9 Violated in 3 structures by 0.00 A. Peak 5533 from cnoeabs.peaks (2.54, 1.34, 17.80 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.99: HB2 ASP 24 + QB ALA 28 OK 93 97 100 95 3.7-6.1 4760/4758=70, 52/5511=52...(8) HG3 MET 31 + QB ALA 28 OK 83 83 100 100 4.8-6.0 4200/5162=63, ~4176=55...(13) HB2 GLN 61 - QB ALA 28 far 0 87 0 - 8.1-9.5 Violated in 1 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 3.6-5.2 3.1/4843=68, 3768/553=63...(23) QD2 LEU 64 + QB ALA 30 OK 95 99 100 96 4.6-5.4 4200/5305=48...(13) QD1 LEU 29 + QB ALA 30 OK 63 63 100 100 2.6-4.5 3.1/4843=68, ~4842=50...(18) Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (1.87, 1.45, 18.14 ppm; 4.18 A): 3 out of 7 assignments used, quality = 0.92: HB3 ARG 26 + QB ALA 30 OK 62 99 85 74 3.3-5.1 4.6/5519=33, 4194/553=26...(10) HB2 ARG 26 + QB ALA 30 OK 58 99 75 77 3.6-5.9 4.6/5519=33, 4194/553=22...(10) HB3 ARG 27 + QB ALA 30 OK 51 83 65 95 4.4-5.4 3.0/5388=84, 4.1/5519=36...(7) HB2 ARG 27 - QB ALA 30 far 4 81 5 - 5.0-5.5 HB2 ARG 23 - QB ALA 30 far 0 65 0 - 6.7-10.7 HB3 ARG 23 - QB ALA 30 far 0 68 0 - 7.7-10.0 HB3 PRO 14 - QB ALA 30 far 0 95 0 - 8.8-21.1 Violated in 1 structures by 0.00 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 4.5-5.2 5519=100, 3.0/5388=99...(10) H GLU 25 - QB ALA 30 far 0 65 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 5543 from cnoeabs.peaks (1.45, 3.98, 56.13 ppm; 5.27 A): 2 out of 5 assignments used, quality = 0.99: HG12 ILE 33 + HA LYS 32 OK 97 100 100 97 4.0-5.1 574/3776=93, 5541/3.0=39...(5) QB ALA 30 + HA LYS 32 OK 64 100 80 80 5.9-6.4 5541/3.0=41, ~4205=30...(5) HG3 LYS 13 - HA LYS 32 far 5 99 5 - 6.2-24.9 HG2 LYS 13 - HA LYS 32 far 0 71 0 - 6.2-24.4 HB3 LEU 57 - HA LYS 32 far 0 83 0 - 9.7-11.7 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 2.2-3.6 5762=99, 1.7/5763=91...(11) 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 3.8-3.9 4248/3.2=96, 110/4216=84...(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 3.0-3.4 4248/2.1=90, 4249/3.0=70...(10) 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 3.7-5.4 5763/3.2=84, 1.7/5549=83...(17) QE TYR 55 + QG2 ILE 33 OK 85 95 100 90 5.0-6.0 5712/5102=53...(6) 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 3.8-5.2 5762/3.2=83, ~4213=67...(14) H LEU 52 - QG2 ILE 33 far 0 68 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 5550 from cnoeabs.peaks (7.70, 0.71, 10.76 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: H MET 31 + QD1 ILE 33 OK 100 100 100 100 4.6-5.2 556/6120=66...(11) H GLN 61 + QD1 ILE 33 OK 76 76 100 100 4.7-5.6 4.0/4222=77, 5.0/4224=58...(14) H TYR 55 - QD1 ILE 33 far 0 92 0 - 8.1-9.1 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 4.6-5.0 4567/3.2=92, ~4583=71...(18) 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 3.4-3.6 4243/2.3=96, 4242/2.3=93...(22) 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 3.6-4.0 110=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 4.4-4.6 110/1.8=98, 109/2.3=93...(12) 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 4.0-4.3 3.6/4248=93, 3.6/4215=86...(7) HA ALA 16 - QG2 ILE 33 far 0 100 0 - 7.2-17.0 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): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 64 + HB ILE 33 OK 100 100 100 100 3.9-4.9 6122/3.2=87...(15) QD2 LEU 29 + HB ILE 33 OK 38 100 50 77 4.4-8.5 4839/4180=65...(4) QD1 LEU 43 - HB ILE 33 far 0 92 0 - 9.1-9.8 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 4.2-4.7 4.0=100 H PHE 35 - HB3 LYS 32 far 0 65 0 - 6.9-7.6 H PHE 35 - HB2 LYS 32 far 0 65 0 - 7.3-8.3 H PHE 35 - HB2 ARG 54 far 0 51 0 - 9.3-11.4 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 2 assignments used, quality = 0.97: H PHE 35 + HB3 PRO 34 OK 97 97 100 100 4.3-4.7 4.0=100 H PHE 35 - HB3 ARG 27 far 0 43 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 5563 from cnoeabs.peaks (6.81, 4.32, 63.87 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 55 + HA PRO 34 OK 100 100 100 100 4.3-6.1 4667/2.3=89, 4664/3.8=72...(12) HE22 GLN 61 + HA PRO 34 OK 47 85 60 92 5.3-7.4 4655/3.6=59, 4206/4.8=52...(6) Violated in 1 structures by 0.01 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 4.0-4.3 109=100, 110/2.3=94...(13) 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 2.1-3.4 4246/1.8=85, 4666/2.3=83...(27) 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 4.1-4.3 4217/2.3=98, 4216/2.3=98...(14) HA LEU 51 - HG3 PRO 34 far 0 100 0 - 6.9-8.5 HD2 PRO 36 - HG3 PRO 34 far 0 76 0 - 7.7-7.8 HA LEU 62 - HG3 PRO 34 far 0 60 0 - 8.0-9.1 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 4 assignments used, quality = 1.00: HB3 TYR 55 + HG3 PRO 34 OK 100 100 100 100 2.8-3.5 2.5/5565=81...(16) HB3 PHE 35 + HG3 PRO 34 OK 60 60 100 100 4.3-4.4 2.6/4243=89, 4.0/109=70...(16) HE2 LYS 32 - HG3 PRO 34 far 0 93 0 - 8.7-12.7 HE3 LYS 32 - HG3 PRO 34 far 0 92 0 - 9.0-12.4 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 HD2 PRO 34 - HB2 LYS 32 poor 12 64 35 54 5.4-7.3 4.8/98=17, 4216/1646=15...(6) HB2 ASN 80 - HB3 ARG 82 far 4 74 5 - 6.0-10.0 HD2 PRO 34 - HB3 LYS 32 far 0 64 0 - 6.1-7.0 HD2 PRO 34 - HB2 ARG 54 far 0 51 0 - 8.2-10.0 HB2 ASP 46 - HB3 ARG 84 far 0 48 0 - 9.0-45.2 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 3.4-3.5 4260=100, 5577/1.8=82...(20) HA LEU 51 - HB2 PHE 35 far 0 83 0 - 6.7-8.6 HA ILE 33 - HB2 PHE 35 far 0 90 0 - 6.9-7.4 HA LEU 51 - HB3 PHE 48 far 0 44 0 - 7.0-7.9 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...(22) HA VAL 41 - HB3 PHE 48 far 0 52 0 - 5.0-7.7 HD3 PRO 34 - HB2 PHE 35 far 0 73 0 - 7.5-7.5 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 6 assignments used, quality = 1.00: HG2 PRO 36 + HB2 PHE 35 OK 96 96 100 100 3.7-3.8 2.3/4260=96, 2.3/5570=94...(25) HG3 PRO 36 + HB2 PHE 35 OK 93 93 100 100 4.6-4.7 2.3/4260=96, 2.3/5570=94...(24) HB3 PRO 44 - HB3 PHE 48 poor 17 57 30 - 5.6-6.6 HB VAL 45 - HB3 PHE 48 poor 12 49 25 - 5.1-7.0 HB3 GLU 25 - HB2 PHE 35 far 0 65 0 - 9.5-13.6 HG2 PRO 36 - HB3 PHE 48 far 0 54 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 5572 from cnoeabs.peaks (2.09, 2.91, 38.77 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 36 + HB3 PHE 35 OK 99 99 100 100 5.2-5.3 2.3/4257=92, 2.3/5577=90...(25) HG3 PRO 36 + HB3 PHE 35 OK 74 98 75 100 5.7-5.8 2.3/4257=92, 2.3/5577=90...(25) HG3 PRO 56 - HB3 PHE 35 far 0 100 0 - 8.9-11.3 Violated in 5 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (2.08, 4.99, 52.48 ppm; 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=87, 2.3/4251=84...(23) HG3 PRO 36 + HA PHE 35 OK 93 93 100 100 4.5-4.5 2.3/4252=87, 2.3/4251=84...(22) HB3 GLU 25 - HA PHE 35 far 0 65 0 - 8.8-13.6 Violated in 16 structures by 0.01 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 3.6-4.3 4534/2.6=86, 5353/1.8=70...(16) QD1 LEU 51 - HB3 PHE 48 far 6 61 10 - 5.5-7.5 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 = 0.91: QD2 LEU 51 + HB2 PHE 35 OK 85 85 100 100 3.1-4.5 4568/2.6=87, 2.1/5574=74...(16) QD2 LEU 51 + HB3 PHE 48 OK 41 45 90 100 3.6-5.9 4527/2.5=64, 4470/3.0=59...(17) Violated in 0 structures by 0.00 A. Peak 5577 from cnoeabs.peaks (2.92, 3.87, 50.78 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.98: HB3 PHE 35 + HD2 PRO 36 OK 98 98 100 100 4.1-4.2 4258=82, 1.8/4260=79...(23) HB3 TYR 55 - HD2 PRO 36 far 0 83 0 - 9.4-11.0 Violated in 20 structures by 0.20 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 4.8-4.9 2.6/4260=90, 2.6/5577=88...(18) 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 3.7-3.8 2.6/4874=91, 2.6/4257=87...(18) QD PHE 35 + HD3 PRO 34 OK 44 44 100 100 4.5-4.6 4649/1.8=91, 4243/2.3=82...(22) 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 4.7-4.7 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 4.4-4.6 110/1.8=99, 109/2.3=94...(12) 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 4.8-4.9 4252/3.0=98, 4251/3.0=97...(17) Violated in 0 structures by 0.00 A. Peak 5584 from cnoeabs.peaks (1.79, 2.45, 32.41 ppm; 5.15 A): 0 out of 6 assignments used, quality = 0.00: HB3 LYS 39 - HB3 PRO 36 far 10 96 10 - 5.1-7.1 HB ILE 33 - HB3 PRO 36 far 0 68 0 - 6.9-7.4 HB2 LYS 73 - HB2 PRO 44 far 0 29 0 - 9.0-13.0 HB2 LYS 13 - HB3 PRO 36 far 0 100 0 - 9.2-25.0 HB3 LYS 73 - HB2 PRO 44 far 0 44 0 - 9.4-13.9 HB2 PRO 34 - HB3 PRO 36 far 0 92 0 - 9.8-10.6 Violated in 18 structures by 0.70 A. Peak 5585 from cnoeabs.peaks (1.56, 2.45, 32.41 ppm; 5.38 A): 2 out of 5 assignments used, quality = 0.94: HG2 LYS 39 + HB3 PRO 36 OK 82 97 85 100 5.0-6.8 5208/3.0=70, ~4870=68...(23) HD3 LYS 39 + HB3 PRO 36 OK 64 76 85 100 4.8-8.0 ~4870=54, ~4894=54...(22) HD2 LYS 39 - HB3 PRO 36 far 4 73 5 - 6.0-8.1 HB3 LEU 29 - HB3 PRO 36 far 0 81 0 - 6.7-11.1 HD3 LYS 39 - HB2 PRO 44 far 0 36 0 - 9.7-13.4 Violated in 2 structures by 0.02 A. Peak 5586 from cnoeabs.peaks (1.39, 2.45, 32.41 ppm; 5.70 A): 0 out of 9 assignments used, quality = 0.00: QB ALA 20 - HB3 PRO 36 poor 19 95 20 - 4.1-14.6 HG3 LYS 39 - HB3 PRO 36 far 14 93 15 - 5.4-7.6 QB ALA 78 - HB2 PRO 44 far 0 56 0 - 6.6-25.2 QB ALA 77 - HB2 PRO 44 far 0 47 0 - 6.9-22.7 HG3 LYS 73 - HB2 PRO 44 far 0 56 0 - 7.9-12.1 QB ALA 78 - HB3 PRO 36 far 0 100 0 - 8.7-26.9 HG3 ARG 69 - HB2 PRO 44 far 0 48 0 - 9.0-12.1 HG3 LYS 39 - HB2 PRO 44 far 0 48 0 - 9.6-12.3 HB3 ARG 69 - HB2 PRO 44 far 0 56 0 - 9.6-12.1 Violated in 15 structures by 0.47 A. Peak 5588 from cnoeabs.peaks (7.61, 3.94, 64.91 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.87: H VAL 41 + HA THR 37 OK 87 87 100 100 4.5-5.5 139/4271=70, 915/4308=67...(11) HD21 ASN 42 - HA THR 37 far 0 89 0 - 7.3-7.8 Violated in 6 structures by 0.04 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 3.6-4.3 914/3.6=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 2.7-3.7 4320=100, 2.1/4318=99...(20) QG1 VAL 65 + QD PHE 35 OK 98 98 100 100 4.0-6.1 5031=99, 4728/6096=70...(16) HG13 ILE 33 + QD PHE 35 OK 96 96 100 100 5.3-5.6 3.2/4567=94, 2.1/5551=74...(13) QG2 VAL 65 + QD PHE 35 OK 88 88 100 100 4.1-5.2 2.1/5031=92...(14) HG2 ARG 69 - QD PHE 35 far 0 93 0 - 7.7-12.2 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 = 0.99: QG2 ILE 33 + HA THR 37 OK 99 100 100 99 4.1-4.7 4300/4313=85...(6) Violated in 0 structures by 0.00 A. Peak 5600 from cnoeabs.peaks (3.62, 1.17, 22.48 ppm; 5.05 A): 0 out of 3 assignments used, quality = 0.00: HA VAL 65 - QG2 THR 37 far 5 96 5 - 5.7-7.8 HA ILE 40 - QG2 THR 37 far 0 93 0 - 6.7-7.3 HA ARG 69 - QG2 THR 37 far 0 97 0 - 7.1-8.0 Violated in 20 structures by 0.93 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 3.7-4.8 5605=98, 913/3.6=91...(5) H LEU 64 - HA THR 37 far 0 63 0 - 9.8-11.2 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 4.6-5.4 2.2/5121=92, 4657/3.0=85...(12) 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 3.8-4.8 4372=100, 5631/3.6=76...(7) H LEU 51 - HA ILE 40 far 0 97 0 - 7.2-8.1 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 4.6-5.1 4323/2.1=91, 5120/3.0=82...(20) Violated in 1 structures by 0.00 A. Peak 5613 from cnoeabs.peaks (7.05, 2.12, 38.15 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 48 + HB ILE 40 OK 95 95 100 100 4.6-5.2 5128/2.1=86, 2.2/5612=76...(22) QD TYR 81 - HB ILE 40 far 0 73 0 - 9.7-25.3 Violated in 8 structures by 0.04 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 4.7-5.7 5121/3.0=80, 2.2/5615=79...(23) HZ PHE 48 - HB ILE 40 far 5 100 5 - 6.3-7.4 HD22 ASN 42 - HB ILE 40 far 0 98 0 - 6.5-8.2 HZ PHE 35 - HB ILE 40 far 0 100 0 - 7.0-7.9 Violated in 1 structures by 0.01 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 5.2-6.2 4318/3.2=85, 4657/603=81...(19) Violated in 9 structures by 0.07 A. Peak 5616 from cnoeabs.peaks (8.42, 0.93, 18.82 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.93: H ILE 68 + QG2 ILE 40 OK 93 93 100 99 3.5-4.9 939/4326=68...(12) H ALA 20 - QG2 ILE 40 far 0 60 0 - 9.1-16.7 Violated in 2 structures by 0.01 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 3.8-5.8 4323/3.2=86, 4611/2.1=85...(18) Violated in 7 structures by 0.14 A. Peak 5618 from cnoeabs.peaks (7.06, 1.90, 28.19 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 48 + HG12 ILE 40 OK 98 98 100 100 4.0-5.9 5619/2.1=86, 2.2/5617=85...(20) QD TYR 81 - HG12 ILE 40 far 0 83 0 - 8.7-26.7 Violated in 6 structures by 0.07 A. Peak 5619 from cnoeabs.peaks (7.06, 1.03, 14.27 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 48 + QD1 ILE 40 OK 98 98 100 100 3.1-5.1 2.2/4611=86...(22) QD TYR 81 - QD1 ILE 40 far 0 83 0 - 9.1-22.3 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 3.4-5.8 4323/3.2=87, 4611/2.1=85...(18) Violated in 11 structures by 0.23 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 3.6-5.0 139/2.9=98, 143/2.1=93...(12) HD21 ASN 42 - HG13 ILE 40 far 0 100 0 - 6.6-8.8 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 3.7-5.1 4.0/5249=91...(12) H ALA 20 - QD1 ILE 40 far 0 60 0 - 8.5-14.4 H GLY 18 - QD1 ILE 40 far 0 83 0 - 9.4-15.9 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 2 assignments used, quality = 1.00: HA LYS 73 + QG2 VAL 41 OK 100 100 100 100 3.4-5.6 5402=96, 5403/2.1=93...(15) HA GLN 79 - QG2 VAL 41 far 0 81 0 - 6.9-21.3 Violated in 3 structures by 0.04 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 2.1-4.1 5403=95, 5402/2.1=79...(16) HA GLN 79 - QG1 VAL 41 far 0 71 0 - 7.7-19.4 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 4.8-5.4 915/610=93, 4330/2.1=68...(4) Violated in 5 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 3.5-3.7 4367/2.1=95, 1.7/4906=94...(13) HZ PHE 48 - HB VAL 41 far 0 97 0 - 8.8-11.1 QE PHE 35 - HB VAL 41 far 0 99 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (7.97, 3.58, 65.23 ppm; 5.34 A): 3 out of 5 assignments used, quality = 0.98: H GLY 72 + HA VAL 41 OK 75 89 85 100 5.3-6.6 5055/3.2=76, ~4335=49...(15) H LYS 73 + HA VAL 41 OK 75 76 100 99 4.2-5.7 5264/3.2=63, 5263/3.2=61...(10) H ARG 69 + HA VAL 41 OK 64 98 65 100 5.8-6.4 4326/5210=62...(12) H ARG 70 - HA VAL 41 far 0 81 0 - 6.4-7.2 H VAL 76 - HA VAL 41 far 0 93 0 - 9.5-14.4 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 1 assignment used, quality = 0.99: H LEU 43 + HA VAL 41 OK 99 100 100 100 3.5-5.1 149/3.6=95, 5631/3.0=92 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 3.8-4.4 4460/2.1=92, 3.0/4468=91...(19) H ASP 46 - QD1 LEU 43 far 0 100 0 - 7.1-7.4 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 3.7-4.8 4460=99, 4461/2.1=86...(19) H ASP 46 - QD2 LEU 43 far 0 100 0 - 6.2-6.9 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 2 assignments used, quality = 0.97: QD PHE 48 + HB3 LEU 43 OK 97 97 100 100 4.2-5.1 4370/3.1=85, 2.5/4472=82...(14) QD TYR 81 - HB3 LEU 43 far 0 100 0 - 9.3-27.2 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 3 assignments used, quality = 1.00: QD2 LEU 51 + HG LEU 43 OK 100 100 100 100 4.0-5.5 4520/2.1=98, 4916/2.1=79...(9) QD2 LEU 51 - HG2 PRO 14 far 0 62 0 - 6.8-24.8 QD2 LEU 51 - HG3 PRO 14 far 0 62 0 - 6.9-25.8 Violated in 2 structures by 0.01 A. Peak 5642 from cnoeabs.peaks (0.95, 2.14, 27.95 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HG3 PRO 44 OK 100 100 100 100 3.8-4.9 4387/2.3=99, 4388/2.3=99...(16) QG2 ILE 40 - HG3 PRO 44 far 0 89 0 - 9.3-10.1 QG2 VAL 76 - HG3 PRO 44 far 0 68 0 - 9.9-21.2 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 3.6-4.7 4387/2.3=95, 4388/2.3=95...(19) QG1 VAL 45 + HG2 PRO 44 OK 60 63 100 95 5.0-5.4 5215/2.3=63, 5654/3.8=45...(8) QG2 ILE 40 - HG2 PRO 44 far 0 63 0 - 8.3-9.2 QG2 VAL 41 - HG2 PRO 44 far 0 76 0 - 9.8-10.3 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 2.0-4.9 4435=99, 1.8/4397=82...(16) HB3 ASN 49 - HD3 PRO 44 far 0 85 0 - 9.4-11.9 Violated in 5 structures by 0.07 A. Peak 5645 from cnoeabs.peaks (2.65, 4.04, 50.94 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASP 47 + HD2 PRO 44 OK 97 97 100 100 2.0-4.1 5644/1.8=89, 1.8/4396=84...(17) HB3 ASN 49 - HD2 PRO 44 far 0 78 0 - 9.5-11.3 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 2 assignments used, quality = 0.98: H LEU 43 + HD2 PRO 44 OK 98 98 100 100 4.7-4.9 4.8=100 H LEU 51 - HD2 PRO 44 far 0 100 0 - 7.0-9.0 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 4.7-5.1 4.8=100 H LEU 51 - HD3 PRO 44 far 0 78 0 - 7.1-9.3 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 4.3-4.5 4374/2.3=96, 4373/2.3=94...(10) HA LYS 13 - HG3 PRO 44 far 0 97 0 - 9.3-40.2 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 2 assignments used, quality = 0.99: HA LEU 43 + HG2 PRO 44 OK 99 99 100 100 4.2-4.5 4374/2.3=96, 4373/2.3=94...(11) HA LYS 13 - HG2 PRO 44 far 0 93 0 - 9.6-39.4 Violated in 0 structures by 0.00 A. Peak 5650 from cnoeabs.peaks (4.57, 1.07, 22.09 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 44 + QG2 VAL 45 OK 100 100 100 100 5.1-5.1 155/629=80, 5654/2.1=71...(7) Violated in 20 structures by 0.31 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 4.4-5.2 2.2/4421=91, 4.4/4409=55...(7) Violated in 1 structures by 0.00 A. Peak 5653 from cnoeabs.peaks (7.27, 1.07, 22.09 ppm; 5.76 A): 1 out of 3 assignments used, quality = 1.00: H ASP 47 + QG2 VAL 45 OK 100 100 100 100 5.5-6.1 919/165=92, 4424/2.1=88...(10) HE ARG 54 - QG2 VAL 45 far 0 99 0 - 9.6-14.4 H ILE 40 - QG2 VAL 45 far 0 60 0 - 9.9-10.7 Violated in 8 structures by 0.06 A. Peak 5654 from cnoeabs.peaks (4.57, 0.99, 19.47 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.99: HA PRO 44 + QG1 VAL 45 OK 99 99 100 100 5.0-5.1 155/630=83, 5650/2.1=80...(8) Violated in 20 structures by 0.07 A. Peak 5656 from cnoeabs.peaks (7.07, 0.99, 19.47 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 48 + QG1 VAL 45 OK 99 99 100 100 4.8-5.3 4421/2.1=93, 4418/3.2=71...(15) QD TYR 81 - QG1 VAL 45 far 10 100 10 - 5.0-21.4 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 4.3-5.0 175/3.6=81, 922/4506=78...(6) H VAL 45 - HA ASP 47 far 0 68 0 - 7.0-7.2 Violated in 4 structures by 0.01 A. Peak 5661 from cnoeabs.peaks (4.50, 2.67, 40.94 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.79: HA LEU 43 + HB2 ASP 47 OK 57 57 100 100 3.6-5.4 3.0/4442=74, 4.1/4907=73...(10) HA ASP 46 + HB2 ASP 47 OK 51 98 55 95 5.6-6.6 3.6/637=86, 3.0/3842=31...(5) Violated in 2 structures by 0.00 A. Peak 5662 from cnoeabs.peaks (0.82, 4.39, 56.46 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HA ASP 47 OK 99 99 100 100 4.5-5.2 2.1/4450=80, 4914/3.0=79...(19) Violated in 2 structures by 0.01 A. Peak 5665 from cnoeabs.peaks (3.68, 4.03, 60.97 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.90: HA VAL 45 + HA PHE 48 OK 90 90 100 100 5.2-5.9 4407/3.0=81, 4451/3.0=78...(14) HD3 PRO 44 - HA PHE 48 far 15 99 15 - 5.2-7.4 Violated in 20 structures by 0.29 A. Peak 5673 from cnoeabs.peaks (7.25, 2.04, 29.07 ppm; 5.78 A): 4 out of 8 assignments used, quality = 0.98: H ASP 47 + HB2 GLU 50 OK 83 83 100 100 4.7-5.5 4491/4480=67...(13) H ALA 53 + HB3 GLU 50 OK 63 63 100 100 4.7-5.1 2.9/5699=80, 4943/4.7=69...(13) H ALA 53 + HB2 GLU 50 OK 63 63 100 100 5.4-5.7 4943/4.7=69, ~4962=67...(12) H ASP 47 + HB3 GLU 50 OK 25 83 30 99 6.4-7.3 6130/3.9=61, ~4511=54...(7) HE ARG 54 - HB3 GLU 50 lone 10 89 100 12 2.2-6.1 7.4/3853=10 HE ARG 54 - HB2 GLU 50 lone 1 89 65 2 2.2-7.5 H ILE 40 - HB3 GLU 25 far 0 73 0 - 8.9-12.2 H ILE 40 - HB2 GLU 25 far 0 75 0 - 9.3-13.2 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 4.0-4.5 200/3.6=89, 926/4567=81...(12) H ILE 40 - HA LEU 51 far 0 85 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 5675 from cnoeabs.peaks (7.21, 1.32, 41.26 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.96: H ALA 53 + HB2 LEU 51 OK 89 100 90 99 4.9-6.1 200/4.6=73, 5674/3.0=65...(9) H ALA 53 + HB2 LEU 52 OK 60 60 100 100 3.6-4.0 4.6=100 H ILE 40 - HB2 LEU 51 far 0 63 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 5676 from cnoeabs.peaks (7.71, 1.32, 41.26 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.97: H GLU 50 + HB2 LEU 51 OK 96 96 100 100 4.4-5.5 923/2216=86, 5670/1.8=84...(8) H TYR 55 + HB2 LEU 52 OK 31 36 100 87 5.2-6.0 4581/3.0=59, 4973/4.6=42...(6) H TYR 55 - HB2 LEU 51 poor 14 71 20 - 5.8-7.1 H GLU 50 - HB2 LEU 52 far 0 54 0 - 6.9-7.4 H ASN 42 - HB2 LEU 51 far 0 100 0 - 9.1-10.1 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 4.2-4.8 5670=97, 923/660=93...(7) H TYR 55 - HB3 LEU 51 poor 12 68 30 61 5.6-6.8 5731/3.1=45, 4973/4964=27 H ASN 42 - HB3 LEU 51 far 0 100 0 - 8.8-10.0 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 4.1-4.4 3.9/4944=55, 190/3.0=47...(16) HB2 GLU 50 + HA LEU 51 OK 100 100 100 100 4.4-4.6 3.9/4944=55, 189/3.0=48...(15) HG2 PRO 44 - HA LEU 51 far 0 99 0 - 8.6-9.7 HD2 ARG 69 - HA LEU 51 far 0 97 0 - 9.4-13.0 HD3 ARG 69 - HA LEU 51 far 0 97 0 - 9.8-14.1 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 4 assignments used, quality = 1.00: HA ILE 40 + QD2 LEU 51 OK 97 97 100 100 2.8-3.6 3.2/4301=67...(15) HA VAL 65 + QD2 LEU 51 OK 89 99 95 95 5.6-6.3 3.2/6104=64...(10) HD3 PRO 14 - QD2 LEU 51 far 0 99 0 - 6.7-25.3 HA ARG 69 - QD2 LEU 51 far 0 99 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 5682 from cnoeabs.peaks (5.00, 0.62, 23.89 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.45: HA PHE 35 + QD1 LEU 51 OK 45 100 45 100 5.5-6.0 3.7/4534=71, 3.0/5574=66...(10) Violated in 20 structures by 0.93 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 3.0-4.6 197=99, 196/3.0=87...(12) HE21 GLN 61 - HG LEU 51 far 0 81 0 - 9.0-11.8 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 4.1-5.0 4665=100, 2.2/4648=96...(22) Violated in 0 structures by 0.00 A. Peak 5686 from cnoeabs.peaks (7.06, 0.62, 23.89 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 48 + QD1 LEU 51 OK 99 100 100 100 5.0-5.6 4527/2.1=89, 3.7/4522=70...(13) QD TYR 81 - QD1 LEU 51 far 0 90 0 - 8.5-24.0 Violated in 6 structures by 0.05 A. Peak 5690 from cnoeabs.peaks (7.54, 1.20, 26.33 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: H LEU 51 + HG LEU 52 OK 99 100 100 100 3.8-4.7 924/668=93, 4495/4485=62...(8) H ARG 54 + HG LEU 52 OK 93 100 95 98 5.5-6.2 926/204=80, 4966/3.7=71...(5) H LEU 43 - HG LEU 52 far 0 93 0 - 9.6-10.4 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 ARG 54 + HB3 LEU 52 OK 100 100 100 100 4.6-5.2 926/203=97, 4966/3.0=87...(6) H LEU 51 + HB3 LEU 52 OK 100 100 100 100 4.8-5.4 924/667=96, 4943/203=74...(6) Violated in 0 structures by 0.00 A. Peak 5692 from cnoeabs.peaks (6.93, 1.20, 26.33 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.98: HZ PHE 48 + HG LEU 52 OK 95 95 100 100 4.2-5.3 4595/2.1=96, ~4538=74...(8) HZ PHE 35 + HG LEU 52 OK 56 97 60 97 5.5-7.1 ~4581=75, 4591/4552=56...(6) QE PHE 35 + HG LEU 52 OK 24 97 25 100 5.8-7.1 4581/2.1=96, 4570/3.7=72...(8) 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 3.7-5.9 5695/2.1=87...(8) HA PHE 48 + QD1 LEU 52 OK 65 65 100 99 4.9-5.6 3.7/4959=78, 3.6/5668=62...(6) HA ARG 54 - QD1 LEU 52 far 0 99 0 - 8.3-8.7 HA ARG 70 - QD1 LEU 52 far 0 100 0 - 8.5-10.9 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 = 0.74: HA ARG 66 + QD2 LEU 52 OK 74 81 95 96 4.0-6.1 5244/4726=61...(6) HA ARG 54 - QD2 LEU 52 far 0 97 0 - 7.5-8.2 HA ARG 70 - QD2 LEU 52 far 0 100 0 - 8.7-10.7 Violated in 1 structures by 0.06 A. Peak 5699 from cnoeabs.peaks (2.04, 1.39, 18.28 ppm; 4.04 A): 1 out of 16 assignments used, quality = 0.97: HB3 GLU 50 + QB ALA 53 OK 97 100 100 97 3.9-4.6 3.0/4962=73, 3.0/4938=37...(10) HB VAL 76 - QB ALA 78 poor 18 57 40 81 3.3-7.8 ~5430=36, 5432/2.1=27...(9) HD3 ARG 69 - QB ALA 78 far 6 56 10 - 4.3-18.4 HB2 GLU 50 - QB ALA 53 far 5 100 5 - 4.9-5.7 HB VAL 45 - QB ALA 78 far 3 31 10 - 3.3-23.0 HD2 ARG 69 - QB ALA 78 far 3 56 5 - 4.8-18.8 HB VAL 90 - QB ALA 53 far 0 83 0 - 5.7-49.6 HB2 GLU 87 - QB ALA 53 far 0 99 0 - 6.5-43.3 HB3 GLU 19 - QB ALA 78 far 0 59 0 - 6.8-29.7 HB3 PRO 56 - QB ALA 53 far 0 99 0 - 7.9-9.1 HG2 PRO 44 - QB ALA 78 far 0 55 0 - 8.2-25.9 HG2 ARG 66 - QB ALA 78 far 0 30 0 - 8.4-20.4 HB3 GLU 25 - QB ALA 78 far 0 47 0 - 8.4-25.4 HG2 ARG 66 - QB ALA 53 far 0 63 0 - 8.7-14.0 HB2 GLU 25 - QB ALA 78 far 0 49 0 - 8.9-26.3 HG2 PRO 56 - QB ALA 53 far 0 100 0 - 8.9-9.6 Violated in 17 structures by 0.21 A. Peak 5702 from cnoeabs.peaks (7.41, 4.16, 52.94 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.76: H LEU 52 + HA ALA 53 OK 76 83 100 92 5.1-5.3 200/3.0=80, 193/3.6=35...(4) Violated in 16 structures by 0.05 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 4.4-5.4 4.8=100 Violated in 2 structures by 0.00 A. Peak 5706 from cnoeabs.peaks (7.68, 1.58, 27.15 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.99: H TYR 55 + HG3 ARG 54 OK 99 99 100 100 4.6-5.1 4.8=100 H GLN 61 + HG LEU 62 OK 31 90 35 99 5.9-6.8 5769/3.0=81, 932/5.0=68...(6) H TYR 55 - HG LEU 62 far 0 88 0 - 6.4-8.4 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 2.7-4.1 4243/2.3=86, 4649/3.0=78...(26) QD PHE 35 - HB2 ARG 54 far 5 100 5 - 5.7-7.5 QD PHE 35 - HB3 ARG 17 far 0 49 0 - 8.1-20.6 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (0.20, 3.03, 43.51 ppm; 5.59 A): 2 out of 2 assignments used, quality = 0.72: QD2 LEU 51 + HD3 ARG 54 OK 58 99 60 97 5.3-7.9 2.1/4519=54...(8) QD2 LEU 51 + HD2 ARG 54 OK 34 99 35 97 5.1-7.6 ~4519=50, ~4573=45...(8) Violated in 15 structures by 0.26 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 2 assignments used, quality = 0.94: * QD TYR 55 + QE TYR 55 OK 94 94 100 100 2.2-2.2 2.2=100 QD TYR 55 - QE TYR 81 far 0 50 0 - 9.9-27.8 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 2 assignments used, quality = 1.00: QD PHE 35 + QE TYR 55 OK 100 100 100 100 2.6-3.7 4601/2.2=84...(20) QD PHE 35 - QE TYR 81 far 0 58 0 - 7.6-25.9 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 4.4-4.5 4.4=100 HE22 GLN 61 - HB2 TYR 55 far 0 97 0 - 6.7-9.2 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 3.4-5.0 5716/1.8=98, 4601/2.5=97...(14) Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (6.65, 2.94, 40.22 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB3 TYR 55 OK 100 100 100 100 3.9-4.8 4601/2.5=80, ~4572=51...(16) Violated in 10 structures by 0.11 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 = 0.95: HD3 ARG 54 + QE TYR 55 OK 84 94 90 100 3.6-5.3 3.6/4644=63, 4565=61...(15) HD2 ARG 54 + QE TYR 55 OK 47 95 50 100 3.3-5.9 3.6/4644=63, 1.8/4565=50...(15) HB2 TYR 81 + QE TYR 81 OK 45 45 100 98 4.4-4.5 4.4=94, ~4674=47...(4) 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 4 assignments used, quality = 1.00: HA LEU 51 + QE TYR 55 OK 100 100 100 100 3.2-4.0 2245/4533=91...(13) HD2 PRO 36 - QE TYR 55 far 0 82 0 - 6.1-7.4 HD2 PRO 36 - QE TYR 81 far 0 41 0 - 6.7-31.8 HA ILE 33 - QE TYR 55 far 0 100 0 - 6.9-8.1 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 4.6-4.8 4555/2.2=79, 5.6=70...(8) 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 5 assignments used, quality = 1.00: HB3 TYR 55 + QE TYR 55 OK 99 99 100 100 4.4-4.5 4.4=100 HB3 PHE 35 + QE TYR 55 OK 75 75 100 100 2.4-4.3 2.6/5712=80, ~4601=59...(11) HB3 PHE 35 - QE TYR 81 far 0 37 0 - 8.0-30.9 HE3 LYS 73 - QE TYR 81 far 0 43 0 - 9.2-24.1 HE2 LYS 73 - QE TYR 81 far 0 41 0 - 9.4-24.4 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 1 assignment used, quality = 1.00: HB2 TYR 55 + QE TYR 55 OK 100 100 100 100 4.4-4.5 4.4=100 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 14 assignments used, quality = 1.00: HB2 ARG 54 + QE TYR 55 OK 99 99 100 100 2.8-3.7 1.8/4644=85, ~4634=54...(20) HB2 PRO 34 + QE TYR 55 OK 97 97 100 100 2.0-4.7 1.8/4667=68, 2.3/4664=63...(20) HG2 PRO 34 + QE TYR 55 OK 92 97 95 100 3.9-5.7 1.8/4664=70, 2.3/4667=62...(20) HB3 ARG 82 - QE TYR 81 far 9 57 15 - 3.3-6.7 HB2 LYS 83 - QE TYR 81 far 3 51 5 - 4.2-11.6 HB3 LYS 39 - QE TYR 81 far 3 50 5 - 3.4-28.9 HB3 LYS 39 - QE TYR 55 far 0 94 0 - 5.2-8.4 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 7.3-8.7 HB ILE 33 - QE TYR 55 far 0 100 0 - 7.6-8.6 HB2 LYS 13 - QE TYR 55 far 0 82 0 - 8.4-25.5 HB3 LYS 75 - QE TYR 81 far 0 44 0 - 8.7-19.7 HB3 LYS 73 - QE TYR 81 far 0 55 0 - 8.8-21.1 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.4 HB2 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (1.56, 6.81, 117.91 ppm; 4.62 A): 2 out of 11 assignments used, quality = 0.92: HB3 ARG 54 + QE TYR 55 OK 89 89 100 100 2.9-3.8 4634/2.2=70, 4970=59...(19) HG3 ARG 54 + QE TYR 55 OK 24 95 25 100 5.1-6.0 1.8/4969=59, 5950/2.2=53...(19) HD2 LYS 39 - QE TYR 55 poor 17 84 20 - 4.7-8.2 HG2 LYS 39 - QE TYR 55 far 9 89 10 - 4.9-7.4 HD3 LYS 39 - QE TYR 55 far 9 86 10 - 5.0-8.0 HD2 LYS 39 - QE TYR 81 far 0 43 0 - 5.6-30.5 HG2 ARG 84 - QE TYR 81 far 0 28 0 - 5.6-14.2 HG2 LYS 39 - QE TYR 81 far 0 47 0 - 5.6-30.2 HG3 ARG 84 - QE TYR 81 far 0 28 0 - 5.9-14.7 HD3 LYS 39 - QE TYR 81 far 0 44 0 - 6.8-30.0 HG LEU 62 - QE TYR 55 far 0 100 0 - 9.1-10.1 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 5 assignments used, quality = 1.00: HG2 ARG 54 + QE TYR 55 OK 100 100 100 100 4.4-5.3 3.0/4644=87, 4969=83...(18) HB2 LEU 51 + QE TYR 55 OK 89 89 100 100 4.2-5.3 3.1/4647=90, 3.0/4646=85...(15) HB2 LEU 51 - QE TYR 81 far 0 47 0 - 8.6-29.1 QB ALA 12 - QE TYR 55 far 0 65 0 - 9.0-23.1 QG2 THR 58 - QE TYR 55 far 0 99 0 - 9.3-10.8 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 10 assignments used, quality = 0.96: HG LEU 51 + QE TYR 55 OK 96 96 100 100 2.0-5.0 2.1/4647=98, 2.1/4648=92...(13) QG2 VAL 76 - QE TYR 81 poor 13 44 30 - 2.0-13.8 QG1 VAL 76 - QE TYR 81 poor 9 44 20 - 3.4-15.0 QG2 ILE 40 - QE TYR 55 far 0 65 0 - 7.3-9.0 QD1 LEU 62 - QE TYR 55 far 0 59 0 - 8.0-9.1 QG2 ILE 40 - QE TYR 81 far 0 31 0 - 8.4-18.9 QD2 LEU 62 - QE TYR 81 far 0 31 0 - 8.6-19.6 QD2 LEU 62 - QE TYR 55 far 0 65 0 - 8.8-10.0 QD1 LEU 62 - QE TYR 81 far 0 28 0 - 9.3-21.3 HG LEU 51 - QE TYR 81 far 0 52 0 - 10.0-29.4 Violated in 1 structures by 0.00 A. Peak 5727 from cnoeabs.peaks (0.63, 6.81, 117.91 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + QE TYR 55 OK 100 100 100 100 1.9-2.9 4533=99, 2.1/4646=60...(20) QD1 LEU 51 - QE TYR 81 far 0 57 0 - 6.9-25.2 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 2 assignments used, quality = 0.91: QD2 LEU 51 + QE TYR 55 OK 91 91 100 100 3.4-4.7 2.1/4647=95, 2.1/4646=88...(18) QD2 LEU 51 - QE TYR 81 far 0 48 0 - 6.8-23.0 Violated in 2 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 3.1-5.4 218/3.6=97, 219/3.0=71...(9) H LEU 57 + HD3 PRO 56 OK 100 100 100 100 4.1-5.5 218/3.6=97, 219/3.0=71...(9) 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 4.8-5.2 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 4.1-4.6 5739/2.1=80, 248/4602=79...(19) H THR 37 - QD2 LEU 57 far 0 93 0 - 8.7-9.5 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 4.0-4.8 3.0/6069=94, 5738/2.1=78...(12) H THR 37 - QD1 LEU 57 far 0 97 0 - 8.9-9.7 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 4.5-5.1 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 TYR 55 + QD2 LEU 57 OK 100 100 100 100 4.9-5.9 5730/2.1=89, 5733/2.1=85...(10) H GLN 61 + QD2 LEU 57 OK 99 99 100 100 4.4-5.0 4.0/4985=77, 711/4602=77...(16) H MET 31 - QD2 LEU 57 far 0 85 0 - 7.2-8.4 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 3.7-4.4 4629/4636=75, ~4688=63...(25) 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 2.2-3.5 4586=97, 4584/2.1=88...(20) 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 3.5-4.3 5771=98, 4602/2.1=91...(19) HG3 MET 31 - QD1 LEU 57 far 0 99 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 5750 from cnoeabs.peaks (1.33, 0.71, 23.03 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.93: QG2 THR 58 + QD2 LEU 57 OK 87 90 100 96 4.3-5.5 2478/230=72...(8) HB2 LEU 52 + QD2 LEU 57 OK 45 99 45 100 5.2-6.4 3.1/5751=64, 4986/2.1=61...(18) QB ALA 28 - QD2 LEU 57 far 0 97 0 - 5.8-6.9 HG3 LYS 32 - QD2 LEU 57 far 0 100 0 - 5.9-9.1 HB2 LEU 51 - QD2 LEU 57 far 0 99 0 - 6.1-8.5 HG2 ARG 54 - QD2 LEU 57 far 0 78 0 - 7.8-9.9 QB ALA 12 - QD2 LEU 57 far 0 100 0 - 9.4-21.2 Violated in 7 structures by 0.03 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 3.8-4.9 4613/2.1=96, ~4552=57...(19) Violated in 1 structures by 0.00 A. Peak 5755 from cnoeabs.peaks (7.45, 1.31, 21.61 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.30: HE21 GLN 61 + QG2 THR 58 OK 30 100 30 99 4.7-7.3 3.5/5230=76, 4.6/4627=63...(7) Violated in 19 structures by 1.13 A. Peak 5756 from cnoeabs.peaks (1.49, 3.84, 62.16 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 63 + HB3 SER 60 OK 99 100 100 99 4.8-5.4 4995/3.0=92, ~4690=46...(7) QB ALA 63 + HB2 SER 60 OK 99 100 100 99 4.9-5.7 4995/3.0=92, ~4690=46...(7) HB3 LEU 57 - HB2 SER 60 far 0 89 0 - 6.7-8.1 HB3 LEU 57 - HB3 SER 60 far 0 89 0 - 7.2-8.8 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 = 0.99: H THR 58 + HA GLN 61 OK 99 99 100 100 4.7-5.5 4625/3.0=91, 4624/3.0=85...(12) Violated in 5 structures by 0.03 A. Peak 5758 from cnoeabs.peaks (8.37, 3.96, 59.26 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.97: H VAL 65 + HA GLN 61 OK 97 97 100 100 3.8-4.7 264/4687=78, 266/4695=74...(10) 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 1.9-4.4 4.6=100 H LEU 52 - HB3 GLN 61 far 0 78 0 - 9.3-10.3 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 - 6.9-9.8 HG2 ARG 66 - HB2 GLN 61 far 0 96 0 - 7.8-10.2 HB3 PRO 56 - HB2 GLN 61 far 0 98 0 - 7.9-9.2 Violated in 20 structures by 1.68 A. Peak 5767 from cnoeabs.peaks (1.31, 2.16, 34.98 ppm; 5.87 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 58 + HG3 GLN 61 OK 100 100 100 100 3.7-6.4 5230/1.8=99, 4627/3.0=90...(8) HG2 LYS 32 - HG3 GLN 61 poor 18 73 30 84 4.9-9.6 ~4671=30, 4668/3.5=29...(7) HG3 LYS 32 - HG3 GLN 61 poor 17 81 25 86 4.6-10.3 4671/3.5=39, ~6065=26...(7) HB2 LEU 52 - HG3 GLN 61 far 0 63 0 - 8.9-10.6 Violated in 9 structures by 0.09 A. Peak 5768 from cnoeabs.peaks (1.31, 2.53, 30.35 ppm; 5.31 A): 1 out of 6 assignments used, quality = 1.00: QG2 THR 58 + HB2 GLN 61 OK 100 100 100 100 3.9-5.3 4627=97, 2478/4625=90...(10) HB2 LEU 52 - HB2 GLN 61 far 0 73 0 - 6.7-7.9 HG3 LYS 32 - HB2 GLN 61 far 0 89 0 - 7.1-12.1 HG2 LYS 32 - HB2 GLN 61 far 0 63 0 - 7.8-11.3 QB ALA 28 - HB2 GLN 61 far 0 65 0 - 8.1-9.5 HB2 LEU 51 - HB2 GLN 61 far 0 97 0 - 9.6-12.3 Violated in 1 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 2.9-4.4 2.1/4985=92, 5771/1.8=79...(19) QD1 LEU 64 - HB3 GLN 61 far 11 71 15 - 4.6-6.6 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 3.5-4.3 2.1/4602=91, 5749=81...(19) Violated in 0 structures by 0.00 A. Peak 5772 from cnoeabs.peaks (1.21, 1.66, 30.35 ppm; 5.30 A): 3 out of 5 assignments used, quality = 1.00: HG13 ILE 33 + HB3 GLN 61 OK 97 97 100 100 4.4-5.9 2.1/4222=68, ~4224=64...(13) QG2 VAL 65 + HB3 GLN 61 OK 94 100 100 95 2.9-4.1 4725/4985=39...(10) QG1 VAL 65 + HB3 GLN 61 OK 67 76 100 88 5.3-6.1 4729/4985=28...(9) HG13 ILE 40 - HB3 GLN 61 far 0 78 0 - 8.3-10.1 HG LEU 52 - HB3 GLN 61 far 0 93 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 5773 from cnoeabs.peaks (1.22, 2.53, 30.35 ppm; 5.91 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 65 + HB2 GLN 61 OK 95 100 100 96 3.6-5.1 4725/4602=44...(10) QG1 VAL 65 + HB2 GLN 61 OK 84 92 100 91 5.8-6.7 4729/4602=38...(8) HG13 ILE 33 + HB2 GLN 61 OK 35 100 35 100 6.2-7.6 ~4222=93, ~4224=76...(13) HG LEU 52 - HB2 GLN 61 far 0 78 0 - 8.8-10.2 HG13 ILE 40 - HB2 GLN 61 far 0 93 0 - 9.5-11.8 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 4.1-4.6 932/719=95, 5780/3907=74...(7) H TYR 55 - HB2 LEU 62 far 0 100 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 5778 from cnoeabs.peaks (7.67, 1.59, 41.88 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.99: H GLN 61 + HB3 LEU 62 OK 99 99 100 100 5.4-5.6 5769/1.8=97, 932/2578=89...(5) H TYR 55 - HB3 LEU 62 far 0 92 0 - 9.1-11.2 Violated in 17 structures by 0.07 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...(9) 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 4.2-4.6 264/263=94, 5796/2.1=88...(11) 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 4.6-5.3 4691/2.1=91, 4.0/5009=68...(8) 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...(8) 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 4.0-5.0 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 2 assignments used, quality = 0.90: H ASN 42 + HA LYS 39 OK 90 92 100 98 3.0-4.2 149/4371=63, 4354=57...(8) H GLU 50 - HA LYS 39 far 0 99 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 5791 from cnoeabs.peaks (1.23, 1.70, 41.01 ppm; 5.58 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 65 + HB3 LEU 64 OK 95 95 100 100 4.6-6.1 5965/3.1=88, 4697/730=81...(18) HG13 ILE 33 + HB3 LEU 64 OK 80 99 80 100 5.3-6.7 4853/3.1=90, 2.1/5026=87...(12) QG1 VAL 65 - HB3 LEU 64 far 5 99 5 - 6.3-6.9 HG13 ILE 40 - HB3 LEU 64 far 0 99 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 5792 from cnoeabs.peaks (1.21, 1.54, 27.08 ppm; 4.20 A): 6 out of 10 assignments used, quality = 1.00: QG2 VAL 65 + HG LEU 64 OK 98 99 100 99 2.0-4.5 5965/2.1=79, 2669/268=58...(14) HG13 ILE 33 + HG LEU 64 OK 87 93 95 99 3.8-5.2 4853/2.1=70, ~6122=56...(12) QG2 VAL 65 + HG LEU 62 OK 62 63 100 99 3.5-4.6 5006/2.1=78, 4722/4.3=54...(13) QG1 VAL 65 + HG LEU 64 OK 57 65 90 97 4.2-5.6 ~5965=51, 4.0/268=50...(15) HG LEU 52 + HG LEU 62 OK 48 61 80 99 4.3-5.6 ~4680=51, ~5237=51...(15) QG1 VAL 65 + HG LEU 62 OK 32 36 95 94 3.0-5.1 ~5006=50, 4723/4.3=33...(12) HG13 ILE 40 - HG LEU 64 far 0 68 0 - 6.8-8.2 HG13 ILE 40 - HG LEU 62 far 0 37 0 - 7.8-11.1 HG13 ILE 33 - HG LEU 62 far 0 56 0 - 8.9-10.2 HG LEU 52 - HG LEU 64 far 0 97 0 - 9.1-11.4 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 6 assignments used, quality = 0.93: HA VAL 65 + HG LEU 64 OK 93 93 100 100 3.0-3.6 5032=93, 3.0/268=89...(25) HA VAL 65 - HG LEU 62 far 0 56 0 - 6.6-7.3 HA ARG 69 - HG LEU 64 far 0 96 0 - 8.5-9.9 HA ILE 40 - HG LEU 64 far 0 90 0 - 8.9-10.1 HD3 PRO 14 - HG2 ARG 82 far 0 95 0 - 9.1-60.3 HA ILE 40 - HG LEU 62 far 0 54 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 5794 from cnoeabs.peaks (3.96, 0.95, 23.35 ppm; 4.40 A): 2 out of 8 assignments used, quality = 1.00: HA ALA 28 + QD1 LEU 64 OK 99 100 100 99 2.8-4.7 4173/2.1=73, ~5162=56...(13) HA GLN 61 + QD1 LEU 64 OK 50 100 50 100 4.3-5.5 4504/2.1=62, 4695/3.1=61...(14) HA THR 37 - QD1 LEU 64 far 4 71 5 - 4.5-7.6 HA ARG 66 - QD1 LEU 64 far 0 90 0 - 6.6-8.0 HA LYS 32 - QD1 LEU 64 far 0 90 0 - 6.8-9.0 HA2 GLY 72 - QD1 LEU 64 far 0 100 0 - 7.8-11.0 HA3 GLY 21 - QD1 LEU 64 far 0 97 0 - 8.7-12.9 HA2 GLY 21 - QD1 LEU 64 far 0 98 0 - 9.5-12.5 Violated in 0 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 99 3.9-4.7 4710/3.2=69, 4.1/5964=52...(11) H ARG 70 - QG1 VAL 65 far 15 98 15 - 5.6-6.9 H ALA 63 - QG1 VAL 65 far 14 90 15 - 5.0-6.6 H GLY 72 - QG1 VAL 65 far 0 60 0 - 7.6-8.5 H LEU 29 - QG1 VAL 65 far 0 97 0 - 8.8-11.2 H LYS 32 - QG1 VAL 65 far 0 81 0 - 9.2-11.2 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 4.1-5.3 264/736=92, 4698=89...(6) H LEU 52 - HB VAL 65 far 0 100 0 - 6.3-8.1 HE21 GLN 61 - HB VAL 65 far 0 60 0 - 7.8-9.9 Violated in 1 structures by 0.00 A. Peak 5799 from cnoeabs.peaks (7.41, 1.23, 22.65 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: H LEU 64 + QG1 VAL 65 OK 95 100 95 100 4.7-6.0 4697/2.1=89, 264/2664=86...(8) H LEU 52 + QG1 VAL 65 OK 91 95 100 96 4.9-5.7 670/4728=72, 669/5314=64...(5) H LYS 39 - QG1 VAL 65 far 0 73 0 - 6.3-9.6 Violated in 0 structures by 0.00 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 2.9-5.2 280/1.8=95, 937/744=84...(17) H ARG 70 - HG3 ARG 66 far 0 83 0 - 6.3-8.7 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 4.5-5.1 937/749=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 4.7-5.7 937/750=95, 5800/1.8=91...(6) Violated in 8 structures by 0.01 A. Peak 5814 from cnoeabs.peaks (8.61, 4.48, 57.73 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.94: H VAL 45 + HA ASP 46 OK 77 82 100 94 5.1-5.2 630/4417=61, 162/3.0=48...(5) H ARG 66 + HA ASP 67 OK 76 81 100 95 5.2-5.4 937/3.0=68, 5800/3.0=45...(6) Violated in 20 structures by 0.13 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 2.9-4.3 5389=100, 5825/3.6=62...(12) H ARG 26 - HA ILE 68 far 0 63 0 - 8.0-11.1 H LYS 75 - HA ILE 68 far 0 96 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 5816 from cnoeabs.peaks (7.98, 0.92, 28.80 ppm; 5.42 A): 2 out of 4 assignments used, quality = 1.00: H ARG 69 + HG12 ILE 68 OK 100 100 100 100 5.1-5.3 5.0=100 H GLY 72 + HG12 ILE 68 OK 46 99 50 92 5.8-7.1 5845/2764=66...(8) H LYS 73 - HG12 ILE 68 far 0 96 0 - 8.1-9.1 H ALA 30 - HG12 ILE 68 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 5817 from cnoeabs.peaks (7.95, 1.92, 28.80 ppm; 5.27 A): 2 out of 5 assignments used, quality = 0.89: H ASP 67 + HG13 ILE 68 OK 80 81 100 99 4.1-4.6 4.6/2770=69, 3.9/5975=53...(13) H ARG 70 + HG13 ILE 68 OK 43 100 45 96 5.7-6.7 940/5.0=77, 5826/2770=63...(4) H LEU 29 - HG13 ILE 68 far 0 100 0 - 8.0-9.5 H ALA 63 - HG13 ILE 68 far 0 68 0 - 8.4-9.4 H LYS 32 - HG13 ILE 68 far 0 97 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 5821 from cnoeabs.peaks (0.81, 1.39, 29.46 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HB3 ARG 69 OK 100 100 100 100 4.4-5.8 291/2800=77, ~4748=52...(12) QG1 VAL 41 + HB3 ARG 69 OK 97 97 100 100 4.7-5.8 4903/3.0=76, ~5130=61...(19) QD1 ILE 68 - HB3 ARG 69 far 0 68 0 - 6.2-7.4 QD1 LEU 43 - HB3 ARG 69 far 0 76 0 - 6.7-8.7 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 = 0.98: HB VAL 41 + HA ARG 69 OK 92 97 95 99 4.7-5.7 2.1/5130=89, 2.1/4767=44...(13) HB ILE 68 + HA ARG 69 OK 76 76 100 100 4.3-4.6 293/2.9=84, ~291=51...(13) HG12 ILE 40 - HA ARG 69 far 0 92 0 - 5.7-7.3 HG13 ILE 68 - HA ARG 69 far 0 100 0 - 6.4-6.5 HB3 ARG 66 - HA ARG 69 far 0 78 0 - 7.8-8.5 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 4 assignments used, quality = 1.00: QD PHE 48 + HD2 ARG 69 OK 96 100 100 97 2.8-5.3 2.2/4789=40, ~4784=36...(15) QD PHE 48 + HD3 ARG 69 OK 86 100 90 96 3.0-5.9 2.2/4789=40, ~4784=36...(13) QD TYR 81 - HD2 ARG 69 far 0 92 0 - 8.4-21.1 QD TYR 81 - HD3 ARG 69 far 0 92 0 - 8.4-20.9 Violated in 1 structures by 0.01 A. Peak 5824 from cnoeabs.peaks (7.97, 2.03, 42.48 ppm; 4.97 A): 4 out of 11 assignments used, quality = 1.00: H ARG 69 + HD2 ARG 69 OK 96 96 100 100 3.6-5.7 760/3.9=76, 2800/3.9=65...(16) H ARG 69 + HD3 ARG 69 OK 96 96 100 100 4.1-5.6 760/3.9=76, 2800/3.9=65...(16) H ARG 70 + HD3 ARG 69 OK 82 87 95 99 2.8-6.0 297/3.9=66, 5829/3.0=66...(13) H ARG 70 + HD2 ARG 69 OK 65 87 75 99 2.9-6.0 297/3.9=66, 5829/3.0=66...(13) H GLY 72 - HD2 ARG 69 far 12 83 15 - 5.1-8.2 H LYS 73 - HD2 ARG 69 far 10 68 15 - 4.2-7.8 H GLY 72 - HD3 ARG 69 far 8 83 10 - 5.6-8.1 H LYS 73 - HD3 ARG 69 far 7 68 10 - 4.3-7.6 H VAL 76 - HD3 ARG 69 far 0 97 0 - 7.4-15.4 H VAL 76 - HD2 ARG 69 far 0 97 0 - 8.0-15.4 H ALA 63 - HD3 ARG 69 far 0 99 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 5832 from cnoeabs.peaks (0.88, 3.20, 43.49 ppm; 4.50 A): 0 out of 8 assignments used, quality = 0.00: QD1 LEU 29 - HD3 ARG 26 poor 19 29 80 83 2.1-7.3 5961=30, 4187/4.8=22...(12) QD1 LEU 62 - HD3 ARG 66 poor 19 88 30 71 4.1-8.4 5373/3.0=34, 2.1/5958=22...(6) QD1 LEU 62 - HD2 ARG 66 poor 16 91 25 71 4.2-8.6 5373/3.0=34, ~5958=22...(6) QD1 LEU 86 - HD2 ARG 66 far 0 87 0 - 5.7-35.5 QD1 LEU 86 - HD3 ARG 66 far 0 83 0 - 6.6-35.8 HG LEU 51 - HD2 ARG 66 far 0 82 0 - 8.6-14.5 HG LEU 51 - HD3 ARG 66 far 0 78 0 - 8.7-15.3 QD1 LEU 62 - HD2 ARG 70 far 0 100 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 5836 from cnoeabs.peaks (2.79, 4.08, 58.40 ppm; 4.25 A): 0 out of 2 assignments used, quality = 0.00: HB2 ASN 74 - HA ARG 71 poor 18 90 20 - 2.5-9.1 HB3 ASN 74 - HA ARG 71 far 14 93 15 - 3.9-8.9 Violated in 17 structures by 1.61 A. Peak 5844 from cnoeabs.peaks (1.82, 3.96, 46.02 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.92: HB2 LYS 73 + HA2 GLY 72 OK 92 100 95 97 4.3-5.6 787/3.6=80, 6036/1.8=31...(9) HB2 LYS 75 - HA2 GLY 72 far 4 76 5 - 4.6-12.3 HB2 ARG 69 - HA2 GLY 72 far 0 89 0 - 5.9-7.8 HB2 ARG 23 - HA2 GLY 72 far 0 65 0 - 8.2-15.1 HB3 ARG 23 - HA2 GLY 72 far 0 63 0 - 9.0-15.3 Violated in 4 structures by 0.06 A. Peak 5846 from cnoeabs.peaks (0.91, 1.78, 32.45 ppm; 4.45 A): 2 out of 21 assignments used, quality = 0.73: QG1 VAL 76 + HB3 LYS 75 OK 65 86 80 94 2.7-6.7 3.9/341=53, ~5853=35...(10) QG2 VAL 76 + HB3 LYS 75 OK 23 86 30 90 3.8-6.8 3.9/341=53, ~5853=35...(9) QG2 VAL 76 - HB3 LYS 73 poor 19 97 20 - 2.1-10.4 QG2 VAL 41 - HB3 LYS 73 poor 14 71 20 - 3.9-6.2 QG1 VAL 76 - HB3 LYS 73 poor 14 97 30 49 3.4-8.9 ~15432=40, 3.9/341=7...(4) HG LEU 51 - HB3 LYS 39 far 13 85 15 - 4.3-8.7 QG2 ILE 40 - HB3 LYS 39 far 4 81 5 - 5.3-6.8 QD1 LEU 86 - HB2 LYS 85 far 2 45 5 - 3.7-7.5 QD1 LEU 86 - HB2 LYS 83 far 0 72 0 - 6.0-12.1 QG2 ILE 40 - HB3 LYS 73 far 0 83 0 - 6.4-9.4 QG2 VAL 41 - HB3 LYS 39 far 0 69 0 - 6.4-7.6 QG2 VAL 41 - HB3 LYS 75 far 0 60 0 - 7.2-11.6 QG1 VAL 90 - HB2 LYS 85 far 0 61 0 - 8.9-14.9 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 9.0-13.7 QG2 VAL 76 - HB2 LYS 83 far 0 91 0 - 9.2-18.3 QG2 VAL 76 - HB2 LYS 13 far 0 89 0 - 9.4-41.0 QD2 LEU 62 - HB2 LYS 85 far 0 48 0 - 9.5-31.2 QD2 LEU 62 - HB2 LYS 83 far 0 76 0 - 9.6-28.6 QG2 VAL 90 - HB2 LYS 85 far 0 60 0 - 9.6-14.8 HG12 ILE 68 - HB3 LYS 39 far 0 95 0 - 9.9-12.8 QD2 LEU 62 - HB3 LYS 39 far 0 81 0 - 9.9-13.4 Violated in 7 structures by 0.08 A. Peak 5852 from cnoeabs.peaks (2.33, 3.97, 62.83 ppm; 4.62 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 79 - HA VAL 76 far 15 100 15 - 4.3-11.5 HG3 GLN 79 - HA VAL 76 far 10 100 10 - 3.4-11.5 Violated in 18 structures by 2.75 A. Peak 5853 from cnoeabs.peaks (1.83, 3.97, 62.83 ppm; 5.30 A): 1 out of 6 assignments used, quality = 0.93: HB2 LYS 75 + HA VAL 76 OK 93 93 100 100 4.0-5.3 340/3.0=87, ~341=61...(16) HB2 ARG 71 - HA VAL 76 far 4 73 5 - 5.1-15.8 HB3 ARG 71 - HA VAL 76 far 0 71 0 - 6.3-15.6 HB2 LYS 73 - HA VAL 76 far 0 99 0 - 6.8-11.7 HB2 ARG 69 - HA VAL 76 far 0 68 0 - 9.0-15.8 HB2 ARG 23 - HA VAL 76 far 0 87 0 - 9.6-25.7 Violated in 1 structures by 0.00 A. Peak 5854 from cnoeabs.peaks (1.37, 0.92, 20.67 ppm; 3.97 A): 4 out of 21 assignments used, quality = 0.86: QB ALA 77 + QG2 VAL 76 OK 59 100 60 98 3.6-5.4 ~350=36, 5435/3.2=34...(15) QB ALA 78 + QG2 VAL 76 OK 42 92 55 84 2.0-6.5 2.1/5430=56, 2.9/5861=24...(9) HG2 LYS 75 + QG1 VAL 76 OK 25 88 30 93 3.9-7.8 2.7/5846=33, 2.7/5110=30...(15) QB ALA 77 + QG1 VAL 76 OK 24 100 25 97 4.0-5.4 ~350=36, 5435/3.2=34...(14) QB ALA 78 - QG1 VAL 76 poor 17 91 25 73 2.7-7.9 ~5430=35, 2.9/5861=19...(7) HG3 LYS 73 - QG2 VAL 76 far 14 92 15 - 2.7-11.7 HG3 LYS 73 - QG1 VAL 76 far 14 91 15 - 2.4-10.4 HG3 LYS 75 - QG2 VAL 76 far 9 89 10 - 3.3-7.6 HG2 LYS 75 - QG2 VAL 76 far 9 89 10 - 4.0-7.6 HG3 LYS 75 - QG1 VAL 76 far 9 88 10 - 3.3-7.5 QB ALA 53 - QG2 VAL 90 far 0 53 0 - 5.1-42.7 QB ALA 20 - QG1 VAL 76 far 0 99 0 - 5.2-21.2 HG3 ARG 69 - QG1 VAL 76 far 0 99 0 - 5.3-12.8 QB ALA 20 - QG2 VAL 76 far 0 100 0 - 5.5-22.8 QB ALA 53 - QG1 VAL 90 far 0 55 0 - 6.5-42.5 HG3 ARG 69 - QG2 VAL 76 far 0 100 0 - 6.8-13.7 HB3 ARG 69 - QG1 VAL 76 far 0 77 0 - 7.0-13.1 HB3 ARG 69 - QG2 VAL 76 far 0 78 0 - 7.0-15.3 QB ALA 16 - QG2 VAL 76 far 0 95 0 - 9.1-28.3 HG2 LYS 83 - QG2 VAL 76 far 0 100 0 - 9.3-18.9 HG2 LYS 85 - QG1 VAL 90 far 0 73 0 - 9.9-16.2 Violated in 5 structures by 0.05 A. Peak 5856 from cnoeabs.peaks (4.23, 3.97, 62.83 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 75 + HA VAL 76 OK 97 97 100 100 4.4-4.7 339/3.0=83, 4.7=80...(17) HA ALA 77 + HA VAL 76 OK 95 100 95 99 4.4-5.3 3.0/349=84, 2.1/5435=50...(12) HA ALA 78 - HA VAL 76 far 6 63 10 - 4.7-7.2 HA ALA 20 - HA VAL 76 far 0 65 0 - 8.1-29.4 Violated in 0 structures by 0.00 A. Peak 5859 from cnoeabs.peaks (2.70, 4.23, 52.70 ppm; 4.13 A): 0 out of 3 assignments used, quality = 0.00: HB2 ASN 80 - HA ALA 78 poor 11 54 20 - 4.4-9.0 ! HB2 ASN 80 - HA ALA 77 far 10 100 10 - 4.2-11.4 HB3 ASN 49 - HA ALA 77 far 0 71 0 - 8.2-28.7 Violated in 18 structures by 1.75 A. Peak 5862 from cnoeabs.peaks (3.03, 4.21, 52.88 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.30: * HB2 TYR 81 + HA ALA 78 OK 30 100 30 100 4.5-11.4 15458=96, 1.8/6049=74...(6) HB2 TYR 81 - HA ALA 77 far 0 57 0 - 7.3-14.7 Violated in 20 structures by 3.20 A. Peak 5864 from cnoeabs.peaks (3.96, 2.33, 33.49 ppm; 4.92 A): 0 out of 4 assignments used, quality = 0.00: HA VAL 76 - HG2 GLN 79 far 15 100 15 - 4.3-11.5 HA VAL 76 - HG3 GLN 79 far 10 100 10 - 3.4-11.5 HA ARG 66 - HG2 GLN 79 far 0 97 0 - 7.8-26.2 HA ARG 66 - HG3 GLN 79 far 0 97 0 - 8.9-25.9 Violated in 17 structures by 2.34 A. Peak 5865 from cnoeabs.peaks (0.92, 2.33, 33.49 ppm; 5.28 A): 1 out of 9 assignments used, quality = 0.25: QG2 VAL 76 + HG2 GLN 79 OK 25 99 45 57 3.3-11.4 ~16011=42, 3987/5.1=7...(6) QG1 VAL 76 - HG2 GLN 79 poor 20 99 20 - 3.1-11.3 QG2 VAL 76 - HG3 GLN 79 poor 16 99 30 53 3.9-11.8 ~16011=42, 3987/5.1=7...(5) QG1 VAL 76 - HG3 GLN 79 far 15 99 15 - 2.1-11.4 QG2 VAL 41 - HG2 GLN 79 far 0 83 0 - 7.4-21.6 QG2 VAL 41 - HG3 GLN 79 far 0 83 0 - 8.1-21.0 QD2 LEU 62 - HG2 GLN 79 far 0 92 0 - 8.6-25.8 QG2 ILE 40 - HG2 GLN 79 far 0 92 0 - 8.9-23.6 QD2 LEU 62 - HG3 GLN 79 far 0 92 0 - 9.8-25.6 Violated in 16 structures by 1.90 A. Peak 5866 from cnoeabs.peaks (6.86, 2.33, 33.49 ppm; 5.37 A): 2 out of 4 assignments used, quality = 1.00: HE22 GLN 79 + HG2 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 79 + HG3 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HD21 ASN 49 - HG3 GLN 79 far 5 100 5 - 3.1-29.5 HD21 ASN 49 - HG2 GLN 79 far 5 100 5 - 3.9-29.4 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 8 assignments used, quality = 1.00: H GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.2-3.9 4.0=100 H GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.1-3.9 4.0=100 H ALA 77 - HB2 GLN 79 far 10 97 10 - 4.9-10.6 H ALA 77 - HB3 GLN 79 far 6 57 10 - 3.3-9.8 H ARG 84 - HB2 GLN 79 far 0 90 0 - 8.1-15.8 H THR 15 - HB2 GLN 79 far 0 97 0 - 8.3-53.8 H THR 15 - HB3 GLN 79 far 0 57 0 - 8.8-54.1 H ARG 84 - HB3 GLN 79 far 0 51 0 - 9.5-15.6 Violated in 0 structures by 0.00 A. Peak 5868 from cnoeabs.peaks (7.08, 4.20, 56.12 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.85: QD TYR 81 + HA ARG 82 OK 70 70 100 99 2.6-5.6 4683/3.0=72, 4684/3.8=64...(10) QD TYR 81 + HA GLN 79 OK 51 99 55 95 2.4-8.1 4685/5446=59, ~4681=44...(6) QD PHE 48 - HA GLN 79 far 0 85 0 - 8.5-23.2 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 = 0.28: HA ALA 78 + HB2 ASN 80 OK 28 73 40 95 4.4-9.0 6154/3.8=69, 2.1/5874=58...(5) ! HA ALA 77 - HB2 ASN 80 poor 20 100 20 - 4.2-11.4 HA LYS 83 - HB2 ASN 80 far 0 95 0 - 7.1-11.5 HA LYS 75 - HB2 ASN 80 far 0 93 0 - 8.9-18.6 HA THR 15 - HB2 ASN 80 far 0 90 0 - 9.0-54.2 Violated in 18 structures by 1.40 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 2.1-4.1 3.5=100 HD22 ASN 74 - HB2 ASN 80 far 0 97 0 - 8.2-23.0 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 2.1-3.7 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 2.8-4.6 4.4=100 H ARG 82 - HB2 ASN 80 lone 0 97 25 2 5.7-7.8 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 7 assignments used, quality = 0.84: QB ALA 78 + HB2 ASN 80 OK 84 100 85 99 2.9-7.2 2.1/5869=92, 6019/3.5=69...(4) QB ALA 77 - HB2 ASN 80 poor 18 90 20 - 2.0-10.1 HG2 LYS 83 - HB2 ASN 80 far 4 76 5 - 3.5-14.5 HG3 ARG 69 - HB2 ASN 80 far 0 92 0 - 9.6-24.2 HG2 LYS 75 - HB2 ASN 80 far 0 100 0 - 9.6-20.7 HG3 LYS 73 - HB2 ASN 80 far 0 100 0 - 9.6-21.9 HG2 LYS 85 - HB2 ASN 80 far 0 93 0 - 9.8-19.6 Violated in 10 structures by 0.29 A. Peak 5875 from cnoeabs.peaks (4.23, 2.76, 38.61 ppm; 4.57 A): 1 out of 8 assignments used, quality = 0.36: HA LYS 75 + HB3 ASN 74 OK 36 59 90 69 4.3-5.9 ~334=33, 3.0/335=31...(6) HA ALA 77 - HB3 ASN 74 poor 17 68 25 - 3.3-11.8 HA ALA 78 - HB3 ASN 80 far 11 73 15 - 4.4-9.5 ! HA ALA 77 - HB3 ASN 80 far 0 100 0 - 5.5-12.5 HA LYS 83 - HB3 ASN 80 far 0 95 0 - 5.5-12.4 HA ALA 78 - HB3 ASN 74 far 0 43 0 - 7.0-15.1 HA LYS 75 - HB3 ASN 80 far 0 93 0 - 9.4-19.5 HA LYS 85 - HB3 ASN 80 far 0 100 0 - 9.6-18.9 Violated in 11 structures by 0.19 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 3 assignments used, quality = 0.97: HB2 ASN 80 + HB3 ASN 80 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 ASP 46 - HB3 ASN 80 far 0 92 0 - 6.2-32.7 HB2 ASN 80 - HB3 ASN 74 far 0 63 0 - 9.1-21.6 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 15 assignments used, quality = 0.54: QB ALA 77 + HB3 ASN 74 OK 32 67 50 96 2.4-10.4 16040/3.0=88, ~16039=36...(5) QB ALA 78 + HB3 ASN 80 OK 32 89 40 91 4.0-7.6 ~5869=57, 6019/3.5=51...(4) QB ALA 77 - HB3 ASN 80 poor 20 100 20 - 3.3-10.7 HG3 LYS 75 - HB3 ASN 74 poor 18 52 35 - 3.9-8.5 HG2 LYS 75 - HB3 ASN 74 poor 13 52 25 - 3.0-8.9 HG3 LYS 73 - HB3 ASN 74 far 8 55 15 - 5.1-8.3 HG2 LYS 83 - HB3 ASN 80 far 5 100 5 - 2.1-14.6 QB ALA 78 - HB3 ASN 74 far 0 55 0 - 6.0-12.9 QB ALA 20 - HB3 ASN 74 far 0 66 0 - 6.8-22.3 QB ALA 16 - HB3 ASN 80 far 0 97 0 - 7.4-44.4 HG3 ARG 69 - HB3 ASN 74 far 0 67 0 - 8.0-13.1 HG2 LYS 75 - HB3 ASN 80 far 0 85 0 - 8.0-21.4 HG3 LYS 75 - HB3 ASN 80 far 0 85 0 - 9.0-20.5 HB3 ARG 69 - HB3 ASN 74 far 0 43 0 - 9.1-13.2 HG2 LYS 85 - HB3 ASN 80 far 0 99 0 - 9.6-20.5 Violated in 12 structures by 0.41 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 2.3-4.1 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 65 65 100 100 2.1-4.1 3.5=100 HD22 ASN 80 - HB3 ASN 74 far 0 69 0 - 6.5-20.9 HD22 ASN 74 - HB3 ASN 80 far 0 98 0 - 8.5-21.6 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 2.1-4.0 3.5=100 HD21 ASN 80 - HB3 ASN 74 far 0 68 0 - 8.1-22.4 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 2 assignments used, quality = 0.71: HB3 TYR 81 + HB2 TYR 81 OK 71 71 100 100 1.8-1.8 1.8=100 HE2 LYS 39 - HB2 TYR 81 far 0 65 0 - 9.4-34.8 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 4 assignments used, quality = 0.97: HG2 ARG 82 + HA ARG 82 OK 97 99 100 98 2.2-3.7 3.8=76, 5479/3.0=61...(14) HG2 ARG 82 - HA GLN 79 far 4 73 5 - 2.1-11.6 HG2 ARG 82 - HA ARG 84 far 0 78 0 - 4.5-9.7 HG2 LYS 39 - HA GLN 79 far 0 43 0 - 9.4-32.0 Violated in 11 structures by 0.04 A. Peak 5886 from cnoeabs.peaks (3.01, 4.18, 56.27 ppm; 5.01 A): 2 out of 6 assignments used, quality = 0.81: HB2 TYR 81 + HA ARG 82 OK 63 68 95 97 3.8-6.3 5887/3.0=64, ~5474=48...(8) HB3 TYR 81 + HA ARG 82 OK 49 57 90 96 4.9-6.1 ~5887=51, ~5474=48...(7) HB3 TYR 81 - HA GLN 79 poor 17 37 70 65 4.6-8.1 2.5/4675=32, 4.4/4678=22...(4) HB2 TYR 81 - HA GLN 79 poor 16 44 35 - 5.1-8.8 HB2 TYR 81 - HA ARG 84 far 2 48 5 - 5.7-11.7 HB3 TYR 81 - HA ARG 84 far 0 40 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 5887 from cnoeabs.peaks (3.02, 1.76, 30.45 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.90: HB2 TYR 81 + HB3 ARG 82 OK 90 93 100 96 3.7-4.9 2.5/4683=77, ~4684=45...(8) HD3 ARG 54 - HB2 PRO 34 far 0 86 0 - 8.0-12.4 HD2 ARG 54 - HB2 PRO 34 far 0 87 0 - 9.1-13.3 Violated in 7 structures by 0.02 A. Peak 5888 from cnoeabs.peaks (3.15, 4.18, 56.27 ppm; 4.25 A): 3 out of 13 assignments used, quality = 0.99: * HD2 ARG 82 + HA ARG 82 OK 88 100 90 98 3.7-5.4 3.0/5885=75, 4.9=65...(9) HD2 ARG 84 + HA ARG 84 OK 73 81 90 100 2.1-5.5 5.1=58, 3410/3.0=41...(41) HD3 ARG 84 + HA ARG 84 OK 72 81 90 100 3.2-5.5 5.1=58, 3418/3.0=41...(41) HD3 ARG 84 - HA ARG 82 far 10 100 10 - 4.4-9.7 HD2 ARG 82 - HA ARG 84 far 8 81 10 - 3.8-11.1 HD2 ARG 82 - HA GLN 79 far 8 76 10 - 3.7-13.3 HD2 ARG 84 - HA ARG 82 far 0 100 0 - 5.2-10.1 HD2 ARG 71 - HA LYS 73 far 0 55 0 - 7.1-10.5 HB2 PHE 48 - HA LYS 73 far 0 37 0 - 9.3-12.1 HD2 ARG 84 - HA GLN 79 far 0 76 0 - 9.5-17.6 HD3 ARG 84 - HA GLN 79 far 0 76 0 - 9.9-17.3 HD2 ARG 71 - HA GLN 79 far 0 73 0 - 9.9-23.7 HB2 PHE 48 - HA GLN 79 far 0 50 0 - 9.9-26.9 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 2.2-3.6 3.6=100 HD3 ARG 84 - HB2 ARG 82 far 0 99 0 - 5.4-9.6 HD2 ARG 84 - HB2 ARG 82 far 0 100 0 - 6.0-8.8 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 3 assignments used, quality = 0.93: H ARG 84 + HB2 ARG 84 OK 93 93 100 100 2.2-3.9 4.0=100 H THR 15 - HB3 ARG 17 far 0 58 0 - 6.0-10.8 H ALA 28 - HB3 ARG 17 far 0 41 0 - 9.5-18.8 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 2.5-4.0 4.0=100 H THR 15 - HB3 LYS 32 far 0 36 0 - 6.7-26.8 H THR 15 - HB2 LYS 32 far 0 36 0 - 7.9-27.3 H THR 15 - HB2 PRO 34 far 0 53 0 - 8.3-26.2 H ALA 28 - HB2 LYS 32 far 0 24 0 - 8.8-9.9 H ALA 28 - HB3 LYS 32 far 0 24 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 5892 from cnoeabs.peaks (8.10, 1.38, 24.55 ppm; 4.90 A): 4 out of 10 assignments used, quality = 1.00: H LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.2-5.0 4.8=100 H LYS 75 + HG3 LYS 75 OK 55 55 100 100 2.2-4.8 4.8=100 H LYS 75 + HG2 LYS 75 OK 55 55 100 100 3.0-4.8 4.8=100 H LYS 75 + HG3 LYS 73 OK 49 93 65 81 3.2-8.1 4.6/327=34, 5849/1.8=28...(9) H THR 88 - HG2 LYS 85 far 9 57 15 - 4.8-10.0 H LYS 85 - HG2 LYS 83 lone 4 91 35 12 3.4-8.7 3.6/2963=10, 852=2 H ARG 71 - HG3 LYS 75 far 0 58 0 - 6.9-13.8 H ARG 71 - HG2 LYS 75 far 0 58 0 - 8.0-13.7 H ARG 71 - HG3 LYS 73 far 0 96 0 - 8.1-8.7 H THR 88 - HG2 LYS 83 far 0 47 0 - 9.2-16.7 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 2.0-4.8 4.8=100 H ASN 74 + HG2 LYS 73 OK 33 35 100 95 3.0-5.4 4.5/789=52, 324/2.9=46...(6) H THR 88 - HG3 LYS 85 far 15 99 15 - 5.8-11.1 H ALA 78 - HG2 LYS 73 far 0 43 0 - 6.7-16.7 H ARG 71 - HG2 LYS 73 far 0 56 0 - 7.5-8.3 H ALA 78 - HG3 LYS 13 far 0 68 0 - 10.0-51.7 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 2.1-4.6 861/3.0=89, 5.3=85...(8) H LEU 86 - HG3 ARG 84 far 10 65 15 - 5.0-9.0 H LEU 86 - HG2 ARG 84 far 3 65 5 - 4.4-8.8 H ASN 80 - HG3 ARG 70 far 0 86 0 - 6.3-22.2 H VAL 90 - HG LEU 86 far 0 97 0 - 7.4-15.4 H ASN 80 - HG3 ARG 84 far 0 68 0 - 9.3-15.6 H VAL 90 - HG3 ARG 54 far 0 65 0 - 9.5-60.4 H ASN 80 - HG2 ARG 84 far 0 68 0 - 9.6-14.1 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 2 assignments used, quality = 0.99: H VAL 90 + HB ILE 89 OK 99 99 100 100 2.2-4.5 4.4=100 H LEU 86 - HB ILE 89 far 0 99 0 - 9.3-13.9 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 = 0.65: HA THR 88 + QD1 ILE 89 OK 65 81 100 80 2.8-5.3 408/4.9=61, 3588/2.1=21...(5) HA GLU 87 - QD1 ILE 89 lone 1 92 40 2 4.5-8.5 HA LEU 86 - QD1 ILE 89 far 0 100 0 - 6.7-11.4 HA SER 60 - QD1 ILE 89 far 0 76 0 - 7.0-42.9 Violated in 1 structures by 0.00 A. Peak 5907 from cnoeabs.peaks (1.68, 3.79, 50.51 ppm; 4.99 A): 3 out of 4 assignments used, quality = 1.00: HB3 LYS 13 + HD2 PRO 14 OK 99 99 100 100 2.7-5.1 4.8=100 HD3 LYS 13 + HD2 PRO 14 OK 67 97 75 92 2.0-7.4 3.5/4813=66, 5.4/4801=59...(5) HD2 LYS 13 + HD2 PRO 14 OK 67 97 75 91 2.6-7.3 3.5/4813=66, 5.4/4801=59...(5) HG LEU 29 - HD2 PRO 14 far 0 100 0 - 9.4-24.0 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 2 assignments used, quality = 1.00: H LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.0-4.3 4.9=100 H ASN 80 - HG2 LYS 13 far 0 99 0 - 7.2-59.5 Violated in 0 structures by 0.00 A. Peak 5925 from cnoeabs.peaks (1.64, 2.05, 29.32 ppm; 4.59 A): 2 out of 12 assignments used, quality = 0.88: HG2 ARG 26 + HB2 GLU 25 OK 75 93 100 80 3.6-5.2 529/4.7=43, 1.8/5926=41...(6) HG2 ARG 26 + HB3 GLU 25 OK 52 93 70 79 4.1-6.2 529/4.7=43, 1.8/5926=32...(6) HG3 ARG 27 - HB2 GLU 25 far 0 100 0 - 5.9-9.2 HG2 ARG 27 - HB2 GLU 25 far 0 100 0 - 6.0-9.4 HG3 ARG 27 - HB3 GLU 25 far 0 100 0 - 6.6-9.5 HG2 ARG 27 - HB3 GLU 25 far 0 100 0 - 6.7-9.4 HG2 ARG 71 - HB2 GLU 25 far 0 90 0 - 8.0-15.0 HG2 ARG 17 - HB3 GLU 25 far 0 89 0 - 8.6-15.9 HB3 GLN 61 - HB3 PRO 56 far 0 35 0 - 8.7-10.3 HG2 ARG 71 - HB3 GLU 25 far 0 90 0 - 9.1-16.0 HG3 ARG 17 - HB3 GLU 25 far 0 90 0 - 9.8-16.1 HD3 LYS 32 - HB3 PRO 56 far 0 36 0 - 10.0-14.1 Violated in 3 structures by 0.01 A. Peak 5926 from cnoeabs.peaks (2.05, 1.75, 27.49 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.96: HB2 GLU 25 + HG3 ARG 26 OK 88 100 100 88 3.1-5.7 4.7/1390=56, 5925/1.8=50...(6) HB3 GLU 25 + HG3 ARG 26 OK 69 100 80 87 3.6-6.3 4.7/1390=56, ~5925=38...(5) HB3 GLU 19 - HG3 ARG 26 far 0 92 0 - 7.3-13.6 HB3 MET 31 - HG3 ARG 26 far 0 89 0 - 9.7-12.4 Violated in 2 structures by 0.00 A. Peak 5927 from cnoeabs.peaks (0.75, 1.85, 30.20 ppm; 5.70 A): 3 out of 10 assignments used, quality = 0.86: QD1 ILE 68 + HB2 ARG 27 OK 55 68 100 81 2.2-5.4 5974=34, 5974/1.8=34...(8) QD1 ILE 68 + HB3 ARG 27 OK 55 68 100 81 3.0-5.5 5974/1.8=34, 5974=34...(8) QD1 ILE 68 + HB2 ARG 71 OK 34 68 75 66 5.3-7.9 4.1/5392=35, 2.9/5096=13...(9) QD1 ILE 68 - HB3 ARG 71 poor 15 68 35 62 6.3-8.4 4.1/5392=33, ~5186=11...(7) QD1 ILE 68 - HB2 ARG 26 far 0 32 0 - 6.7-9.3 QD1 ILE 68 - HB2 ARG 66 far 0 34 0 - 6.9-7.9 QD1 ILE 68 - HB3 ARG 23 far 0 49 0 - 7.5-11.0 QD1 ILE 68 - HB3 ARG 26 far 0 30 0 - 7.6-9.4 QD1 ILE 68 - HB2 ARG 23 far 0 49 0 - 7.7-10.4 QD1 ILE 68 - HB3 PRO 34 far 0 27 0 - 9.2-10.7 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 = 0.55: QD1 ILE 68 + HA ALA 28 OK 55 65 100 83 2.7-4.3 4758/2.1=54, 5909/3.0=33...(8) QG2 ILE 68 - HA ALA 28 far 10 100 10 - 4.9-7.0 Violated in 1 structures by 0.01 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 96 100 100 1.9-3.8 5394/1494=83...(11) Violated in 0 structures by 0.00 A. Peak 5930 from cnoeabs.peaks (6.82, 1.99, 16.73 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.95: HE22 GLN 61 + QE MET 31 OK 95 96 100 99 3.2-5.5 5.7/5079=55, 5911/4.3=53...(13) Violated in 2 structures by 0.02 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 2.5-5.9 5910=100, 1.7/5911=88...(9) HE21 GLN 79 - HB VAL 76 poor 11 54 20 - 4.4-13.2 Violated in 1 structures by 0.01 A. Peak 5932 from cnoeabs.peaks (7.44, 1.94, 32.66 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.80: HE21 GLN 61 + HB2 MET 31 OK 80 85 95 99 2.9-6.9 5910/1.8=77, ~5911=72...(8) H LEU 64 - HB2 MET 31 far 4 83 5 - 6.4-7.8 Violated in 4 structures by 0.09 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 3.9-5.7 4664/1.8=99, 4667/2.3=95...(20) HE22 GLN 61 + HG2 PRO 34 OK 82 83 100 99 3.8-6.0 4655/2.3=76, ~5764=64...(11) 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 3.2-4.6 4667/2.3=97, 4664=97...(19) HE22 GLN 61 + HG3 PRO 34 OK 78 83 95 99 4.6-6.9 4655/2.3=78, ~5764=67...(10) Violated in 0 structures by 0.00 A. Peak 5935 from cnoeabs.peaks (6.93, 4.32, 63.87 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.94: QE PHE 35 + HA PRO 34 OK 94 95 100 100 5.5-5.6 4687/3.6=72, 581/3.6=68...(11) HZ PHE 35 - HA PRO 34 far 0 93 0 - 7.3-7.6 Violated in 20 structures by 0.10 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 86 90 100 95 2.9-5.0 4.0/6126=67, 4.7/4867=55...(8) HB3 ASP 38 + HB2 PRO 36 OK 84 89 100 95 3.0-4.9 4.0/6126=67, 4.7/4867=55...(8) HB3 ASP 24 - HB2 PRO 36 far 0 89 0 - 8.2-13.2 Violated in 0 structures by 0.00 A. Peak 5937 from cnoeabs.peaks (2.60, 2.09, 27.61 ppm; 5.30 A): 4 out of 5 assignments used, quality = 0.97: HB2 ASP 38 + HG2 PRO 36 OK 71 81 100 88 3.5-5.9 5936/2.3=38, 4.0/4879=31...(8) HB3 ASP 38 + HG2 PRO 36 OK 69 78 100 88 4.2-6.2 5936/2.3=37, 4.0/4879=31...(8) HB2 ASP 38 + HG3 PRO 36 OK 52 80 75 87 4.2-6.4 5936/2.3=38, 4.0/4879=31...(8) HB3 ASP 38 + HG3 PRO 36 OK 27 78 40 87 4.8-6.7 5936/2.3=37, 4.0/4879=31...(8) HG2 GLN 61 - HG3 PRO 56 far 0 75 0 - 7.5-9.8 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 3.3-6.6 3.6/1837=97, 3.6/1836=93...(43) HE3 LYS 39 + HA LYS 39 OK 97 97 100 100 3.6-6.0 3.6/1837=97, 3.6/1836=93...(33) HB3 TYR 81 - HA LYS 39 far 5 97 5 - 6.4-32.8 HE3 LYS 73 - HA LYS 39 far 0 89 0 - 8.8-12.2 HE2 LYS 73 - HA LYS 39 far 0 90 0 - 9.0-11.8 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 = 0.94: QD PHE 35 + HG2 LYS 39 OK 94 96 100 99 2.5-4.2 4568/6087=51...(14) 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 2.5-5.3 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 2.6-5.1 598=96, 595/3.0=91...(25) H LYS 39 + HD2 LYS 39 OK 96 96 100 100 2.9-5.7 598/1.8=96, 595/3.0=91...(24) 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 3 assignments used, quality = 0.99: QD PHE 35 + HD3 LYS 39 OK 92 93 100 99 2.6-6.0 5940/3.5=51, 5939/3.0=34...(16) QD PHE 35 + HD2 LYS 39 OK 92 93 100 99 3.9-6.2 5940/3.5=51, 5939/3.0=34...(16) QD PHE 35 - HD2 LYS 32 far 0 54 0 - 9.4-12.0 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 3 assignments used, quality = 0.97: HA PHE 35 + HD3 LYS 39 OK 89 100 95 94 3.9-7.8 3.7/5942=32...(12) HA PHE 35 + HD2 LYS 39 OK 74 100 80 93 4.8-7.2 3.7/5942=32...(11) HA PHE 35 - HD2 LYS 32 far 0 62 0 - 9.8-13.4 Violated in 3 structures by 0.06 A. Peak 5945 from cnoeabs.peaks (1.98, 1.58, 28.78 ppm; 5.52 A): 2 out of 23 assignments used, quality = 1.00: HG LEU 43 + HD2 LYS 39 OK 100 100 100 100 3.1-4.5 2.1/5213=75, ~5116=64...(18) HG LEU 43 + HD3 LYS 39 OK 100 100 100 100 2.0-5.7 ~5213=66, ~5116=64...(18) QE MET 31 - HD2 LYS 32 poor 13 64 45 46 4.5-8.2 5087/6.1=45 QE MET 31 - HD3 LYS 32 poor 11 59 40 46 5.1-9.0 5087/6.1=45 HG2 PRO 14 - HD2 LYS 39 far 5 100 5 - 4.2-27.4 HG3 PRO 14 - HD2 LYS 39 far 5 100 5 - 5.1-28.8 HG2 PRO 14 - HD3 LYS 39 far 5 100 5 - 5.1-25.8 HG3 PRO 14 - HD3 LYS 39 far 5 100 5 - 6.3-27.2 HG3 PRO 14 - HD2 LYS 32 far 3 65 5 - 5.4-25.3 HG2 PRO 14 - HD2 LYS 32 far 3 65 5 - 5.7-24.9 HG2 PRO 14 - HD3 LYS 32 far 3 60 5 - 6.3-25.4 HB3 MET 11 - HD2 LYS 32 far 2 44 5 - 6.3-31.9 HB3 MET 11 - HD3 LYS 32 far 2 40 5 - 5.6-30.4 HG3 PRO 14 - HD3 LYS 32 far 0 60 0 - 7.1-26.3 HB3 GLN 79 - HD2 LYS 73 far 0 61 0 - 7.9-22.2 HB3 GLN 79 - HD3 LYS 73 far 0 61 0 - 8.4-23.1 HB2 GLN 79 - HD2 LYS 73 far 0 50 0 - 8.9-21.5 HB2 GLN 79 - HD3 LYS 73 far 0 50 0 - 8.9-22.4 HG LEU 43 - HD3 LYS 73 far 0 65 0 - 8.9-13.6 HG LEU 43 - HD2 LYS 73 far 0 65 0 - 9.0-13.9 HB2 LEU 64 - HD2 LYS 32 far 0 57 0 - 9.3-12.7 HB3 GLN 79 - HD2 LYS 39 far 0 97 0 - 9.9-35.6 HB2 LEU 64 - HD3 LYS 32 far 0 52 0 - 10.0-13.3 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 2.6-4.7 4530/4320=76...(15) 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 2.6-5.1 5173/2.1=94, 4301/3.2=91...(16) 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 13 assignments used, quality = 0.99: HD2 LYS 39 + HG LEU 43 OK 95 96 100 100 3.1-4.5 5213/2.1=68, ~5116=45...(17) HG2 LYS 39 + HG LEU 43 OK 68 76 90 99 3.6-6.0 ~5206=51, 4.1/4390=45...(16) HD3 LYS 39 + HG LEU 43 OK 38 97 40 99 2.0-5.7 ~5213=49, ~5116=45...(17) HD3 LYS 39 - HG2 PRO 14 far 3 57 5 - 5.1-25.8 HD2 LYS 39 - HG2 PRO 14 far 3 56 5 - 4.2-27.4 HD2 LYS 39 - HG3 PRO 14 far 3 56 5 - 5.1-28.8 HG2 LYS 39 - HG2 PRO 14 far 0 40 0 - 5.5-26.9 HB3 LEU 51 - HG LEU 43 far 0 63 0 - 5.7-7.2 HD3 LYS 39 - HG3 PRO 14 far 0 57 0 - 6.3-27.2 HG2 LYS 39 - HG3 PRO 14 far 0 40 0 - 6.3-28.2 HB3 LEU 29 - HG2 PRO 14 far 0 59 0 - 7.4-19.8 HB3 LEU 29 - HG3 PRO 14 far 0 59 0 - 8.4-20.8 HB3 LEU 51 - HG3 PRO 14 far 0 32 0 - 9.8-33.7 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 4.0-5.7 926/678=93, 4963/3.0=82...(10) Violated in 7 structures by 0.02 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 4.7-5.6 4634/3.0=91, 4968/1.8=79...(27) QD TYR 55 - HG LEU 62 far 0 85 0 - 7.3-8.3 Violated in 1 structures by 0.01 A. Peak 5951 from cnoeabs.peaks (7.21, 1.58, 27.15 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: H ALA 53 + HG3 ARG 54 OK 100 100 100 100 4.0-5.5 4963/3.0=95, 926/4.9=94...(9) H ALA 53 + HG LEU 62 OK 54 89 95 64 5.7-7.8 3866/5236=47...(4) H ALA 53 - HG3 ARG 84 far 0 80 0 - 9.7-41.8 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 3 assignments used, quality = 0.68: HG3 GLN 61 + QD2 LEU 57 OK 68 68 100 100 2.1-4.4 3.0/4985=93, 3.0/4602=89...(19) HB ILE 40 - QD2 LEU 57 far 0 96 0 - 8.2-9.5 HB2 PRO 36 - QD2 LEU 57 far 0 97 0 - 9.6-10.5 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 2 assignments used, quality = 0.78: HG2 GLN 61 + QD2 LEU 57 OK 78 78 100 100 2.3-4.3 3.0/4985=89, 3.0/4602=84...(20) HB2 ASP 24 - QD2 LEU 57 far 0 73 0 - 9.7-12.6 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 3.1-4.3 4707=100, 4998/6069=87...(13) HG2 GLU 59 - QD1 LEU 57 far 0 95 0 - 8.2-10.0 HG2 GLU 50 - QD1 LEU 57 far 0 92 0 - 9.1-10.7 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 3.9-5.5 2257/5237=84...(11) Violated in 4 structures by 0.04 A. Peak 5958 from cnoeabs.peaks (3.18, 0.93, 24.73 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.99: HD3 ARG 66 + QD2 LEU 62 OK 91 100 95 96 1.9-6.4 1.8/5374=50, ~5373=49...(10) HD2 ARG 66 + QD2 LEU 62 OK 90 99 95 96 1.9-6.9 5374=51, ~5373=49...(10) HD2 ARG 70 - QD2 LEU 62 far 0 73 0 - 7.3-13.9 HD3 ARG 70 - QD2 LEU 62 far 0 78 0 - 8.4-14.0 Violated in 1 structures by 0.03 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 3 assignments used, quality = 0.00: HA VAL 65 - QD1 LEU 62 far 0 71 0 - 7.5-7.9 HD3 PRO 14 - QD1 LEU 29 far 0 95 0 - 8.3-18.4 HA ILE 40 - QD1 LEU 62 far 0 65 0 - 9.6-10.7 Violated in 20 structures by 2.90 A. Peak 5961 from cnoeabs.peaks (3.20, 0.87, 24.45 ppm; 4.71 A): 4 out of 9 assignments used, quality = 0.89: HD3 ARG 26 + QD1 LEU 29 OK 57 78 85 85 2.1-7.3 5832=35, 4.8/4187=24...(13) HD2 ARG 26 + QD1 LEU 29 OK 48 76 75 84 2.6-7.9 1.8/5832=30, 4.8/4187=24...(13) HD3 ARG 66 + QD1 LEU 62 OK 32 98 35 93 4.1-8.4 3.0/5373=41, 5374/2.1=40...(8) HD2 ARG 66 + QD1 LEU 62 OK 28 99 30 94 4.2-8.6 5374/2.1=43, 3.0/5373=41...(8) HD2 ARG 66 - QD1 LEU 86 far 0 87 0 - 5.7-35.5 HD2 ARG 27 - QD1 LEU 29 far 0 63 0 - 6.3-9.2 HD3 ARG 27 - QD1 LEU 29 far 0 63 0 - 6.3-9.5 HD3 ARG 66 - QD1 LEU 86 far 0 86 0 - 6.6-35.8 HD2 ARG 70 - QD1 LEU 62 far 0 97 0 - 9.9-15.9 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 2 assignments used, quality = 0.25: H LEU 57 + QD2 LEU 62 OK 25 98 30 85 6.1-7.8 3.8/4599=75, 690/4598=23 H THR 88 - QD2 LEU 62 far 0 97 0 - 7.8-36.8 Violated in 20 structures by 1.26 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 2.0-3.8 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; 4.55 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + QG1 VAL 65 OK 100 100 100 100 3.8-5.3 4.1/5797=45...(24) QD1 LEU 43 + QG1 VAL 65 OK 22 87 50 51 5.1-6.8 4917/6104=37...(3) QG1 VAL 41 - QG1 VAL 65 far 0 90 0 - 6.7-8.2 QG2 ILE 89 - QG1 VAL 65 far 0 57 0 - 8.8-36.4 Violated in 2 structures by 0.03 A. Peak 5965 from cnoeabs.peaks (0.82, 1.21, 23.08 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.71: QD2 LEU 64 + QG2 VAL 65 OK 71 73 100 97 2.8-4.2 5030=37, 269/2669=36...(21) QG2 ILE 68 - QG2 VAL 65 far 10 96 10 - 4.3-5.6 QD1 LEU 43 - QG2 VAL 65 far 0 98 0 - 6.1-7.2 QD2 LEU 29 - QG2 VAL 65 far 0 73 0 - 7.9-10.1 QG1 VAL 41 - QG2 VAL 65 far 0 71 0 - 8.1-9.4 QG2 ILE 89 - QG2 VAL 65 far 0 81 0 - 9.6-37.0 Violated in 1 structures by 0.02 A. Peak 5966 from cnoeabs.peaks (7.17, 1.70, 28.91 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.80: QE PHE 48 + HG3 ARG 66 OK 80 95 85 100 3.8-6.9 2.2/5967=81, 4604/4.1=70...(10) Violated in 10 structures by 0.30 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 2.9-6.2 5969/1.8=81...(8) HZ PHE 35 - HG3 ARG 66 far 0 95 0 - 7.4-9.3 QE PHE 35 - HG3 ARG 66 far 0 93 0 - 7.6-9.2 Violated in 4 structures by 0.13 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 5 assignments used, quality = 0.90: HZ PHE 48 + HG2 ARG 66 OK 90 100 90 100 2.3-6.8 4589/1.8=92...(8) HD22 ASN 42 - HB3 GLN 79 far 4 77 5 - 3.2-29.2 HZ PHE 35 - HG2 ARG 66 far 0 99 0 - 7.2-10.4 QE PHE 35 - HG2 ARG 66 far 0 99 0 - 7.3-10.0 HZ PHE 48 - HB3 GLN 79 far 0 88 0 - 8.7-27.6 Violated in 4 structures by 0.16 A. Peak 5970 from cnoeabs.peaks (0.43, 1.70, 28.91 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.88: QD1 LEU 52 + HG3 ARG 66 OK 88 93 95 99 2.6-6.8 4956/1.8=84...(8) Violated in 2 structures by 0.09 A. Peak 5971 from cnoeabs.peaks (7.17, 3.19, 43.48 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.91: QE PHE 48 + HD3 ARG 66 OK 74 93 80 99 3.4-8.5 5966/3.0=65, ~4589=54...(8) QE PHE 48 + HD2 ARG 66 OK 65 93 70 99 2.4-8.5 5966/3.0=65, ~4589=54...(8) QE PHE 48 - HD3 ARG 70 far 0 82 0 - 6.3-10.4 QE PHE 48 - HD2 ARG 70 far 0 78 0 - 6.7-10.1 QE PHE 48 - HD3 ARG 71 far 0 48 0 - 9.6-11.9 Violated in 6 structures by 0.26 A. Peak 5972 from cnoeabs.peaks (7.94, 3.19, 43.48 ppm; 5.21 A): 6 out of 33 assignments used, quality = 1.00: H ARG 70 + HD3 ARG 70 OK 87 87 100 100 3.5-5.8 770/3.0=86, 2872/3.0=76...(19) H ARG 70 + HD2 ARG 70 OK 83 83 100 100 3.7-5.4 770/3.0=86, 2872/3.0=76...(19) H ASP 67 + HD2 ARG 66 OK 67 96 70 100 3.4-6.5 280/3.0=78, 5802/3.0=65...(13) H ASP 67 + HD3 ARG 66 OK 67 95 70 100 4.5-6.5 280/3.0=78, 5802/3.0=65...(13) H ASP 67 + HD2 ARG 70 OK 35 81 45 95 4.4-9.5 ~5049=46, ~5052=43...(11) H ASP 67 + HD3 ARG 70 OK 28 84 35 95 5.0-9.7 ~5049=46, ~5052=43...(11) H LEU 29 - HD3 ARG 26 poor 10 50 20 - 5.8-8.0 H ARG 70 - HD3 ARG 71 far 5 52 10 - 5.7-7.5 H VAL 76 - HD2 ARG 70 far 4 73 5 - 5.8-15.1 H VAL 76 - HD3 ARG 71 far 2 44 5 - 5.4-15.9 H LEU 29 - HD2 ARG 27 far 2 42 5 - 6.0-8.3 H VAL 76 - HD3 ARG 70 far 0 77 0 - 6.1-14.7 H LEU 29 - HD3 ARG 27 far 0 42 0 - 6.2-8.5 H LEU 29 - HD2 ARG 26 far 0 48 0 - 6.3-8.6 H ARG 70 - HD3 ARG 66 far 0 97 0 - 6.4-9.5 H ASP 67 - HD3 ARG 27 far 0 40 0 - 6.4-12.7 H ASP 67 - HD2 ARG 27 far 0 40 0 - 6.6-11.6 H ARG 70 - HD2 ARG 66 far 0 97 0 - 6.6-10.0 H ASP 67 - HD3 ARG 71 far 0 50 0 - 6.6-8.7 H LYS 32 - HD3 ARG 17 far 0 30 0 - 6.9-25.9 H LYS 32 - HD3 ARG 27 far 0 45 0 - 7.6-10.1 H LYS 32 - HD2 ARG 27 far 0 45 0 - 7.8-10.7 H LYS 32 - HD2 ARG 17 far 0 30 0 - 7.9-27.0 H VAL 76 - HD2 ARG 23 far 0 30 0 - 8.0-25.5 H LEU 29 - HD3 ARG 17 far 0 28 0 - 8.4-21.8 H LEU 29 - HD2 ARG 17 far 0 28 0 - 8.5-22.9 H LYS 32 - HD3 ARG 26 far 0 53 0 - 8.5-12.5 H LEU 29 - HD3 ARG 23 far 0 36 0 - 9.1-13.4 H VAL 76 - HD3 ARG 23 far 0 30 0 - 9.1-25.7 H LYS 32 - HD2 ARG 26 far 0 52 0 - 9.1-13.4 H ARG 70 - HD2 ARG 27 far 0 41 0 - 9.2-14.9 H LEU 29 - HD3 ARG 71 far 0 53 0 - 9.6-16.7 H ARG 70 - HD3 ARG 27 far 0 41 0 - 9.8-15.5 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 = 0.92: HB2 ARG 71 + HA ILE 68 OK 74 78 100 94 2.1-5.0 4.0/5389=45, 2.8/5985=38...(13) HB3 ARG 71 + HA ILE 68 OK 68 76 95 94 3.6-5.6 4.0/15389=45...(11) HB2 ARG 69 - HA ILE 68 far 0 63 0 - 5.4-5.6 HB3 ARG 27 - HA ILE 68 far 0 76 0 - 5.7-9.3 HB2 ARG 27 - HA ILE 68 far 0 78 0 - 6.2-8.1 HB3 ARG 23 - HA ILE 68 far 0 89 0 - 6.2-12.9 HB2 LYS 73 - HA ILE 68 far 0 99 0 - 7.6-9.3 HB2 ARG 23 - HA ILE 68 far 0 90 0 - 7.6-12.2 HB2 LYS 75 - HA ILE 68 far 0 96 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 5974 from cnoeabs.peaks (1.85, 0.78, 13.94 ppm; 3.85 A): 2 out of 12 assignments used, quality = 0.62: HB2 ARG 27 + QD1 ILE 68 OK 39 100 75 51 2.2-5.4 4.3/5909=25, 4.1/5377=13...(7) HB3 ARG 27 + QD1 ILE 68 OK 38 100 70 55 3.0-5.5 4.3/5909=25, 4.1/5377=13...(9) HB2 ARG 71 - QD1 ILE 68 far 0 100 0 - 5.3-7.9 HB3 ARG 71 - QD1 ILE 68 far 0 100 0 - 6.3-8.4 HB2 LYS 39 - QD1 ILE 68 far 0 100 0 - 6.6-9.0 HB2 ARG 26 - QD1 ILE 68 far 0 68 0 - 6.7-9.3 HB2 ARG 66 - QD1 ILE 68 far 0 78 0 - 6.9-7.9 HB3 ARG 23 - QD1 ILE 68 far 0 99 0 - 7.5-11.0 HB3 ARG 26 - QD1 ILE 68 far 0 65 0 - 7.6-9.4 HB2 ARG 23 - QD1 ILE 68 far 0 99 0 - 7.7-10.4 HB2 ARG 17 - QD1 ILE 68 far 0 93 0 - 9.0-17.5 HB3 PRO 34 - QD1 ILE 68 far 0 83 0 - 9.2-10.7 Violated in 7 structures by 0.10 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 99 3.0-5.1 4.6/2770=78, 1.8/4743=47...(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 3.3-5.6 4760/2.1=100...(11) 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 8 assignments used, quality = 1.00: HA ARG 66 + HD3 ARG 69 OK 94 100 95 100 2.4-6.5 5047/3.9=76, 4766/3.9=71...(11) HA ARG 66 + HD2 ARG 69 OK 90 100 90 100 3.4-6.7 5047/3.9=76, 4766/3.9=71...(11) HA ARG 70 + HD3 ARG 69 OK 76 81 95 99 2.4-7.1 ~3943=55, ~5829=53...(12) HA ARG 70 + HD2 ARG 69 OK 56 81 70 99 3.8-7.3 ~3943=55, ~5829=53...(11) HA2 GLY 72 - HD2 ARG 69 far 13 87 15 - 4.7-9.6 HA2 GLY 72 - HD3 ARG 69 far 9 87 10 - 6.0-9.4 HA VAL 76 - HD3 ARG 69 far 0 95 0 - 8.1-15.8 HA VAL 76 - HD2 ARG 69 far 0 95 0 - 8.7-17.4 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 2.4-4.6 4617/4303=82...(15) QE PHE 35 - HB2 ARG 69 far 0 93 0 - 7.1-8.8 HZ PHE 35 - HB2 ARG 69 far 0 95 0 - 8.4-10.1 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 2.7-4.6 2.2/5978=80...(16) 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 2.6-5.9 4784/1.8=82, ~5978=53...(16) QE PHE 48 - HG13 ILE 33 far 0 63 0 - 8.1-8.9 Violated in 1 structures by 0.01 A. Peak 5982 from cnoeabs.peaks (6.94, 1.24, 27.02 ppm; 5.77 A): 3 out of 7 assignments used, quality = 1.00: HZ PHE 48 + HG2 ARG 69 OK 99 99 100 100 3.0-6.2 2.2/5981=79, ~4784=65...(15) QE PHE 35 + HG13 ILE 33 OK 63 63 100 100 4.5-5.0 4583/3.2=96, ~4567=70...(17) HZ PHE 35 + HG13 ILE 33 OK 62 62 100 100 4.9-5.5 4596/3.2=85, ~4583=70...(12) QE PHE 35 - HG2 ARG 69 far 10 100 10 - 6.2-10.7 HZ PHE 35 - HG2 ARG 69 far 0 100 0 - 7.5-12.2 HD22 ASN 42 - HG2 ARG 69 far 0 100 0 - 8.5-12.1 HZ PHE 48 - HG13 ILE 33 far 0 61 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 5983 from cnoeabs.peaks (1.39, 4.00, 58.60 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.84: HB3 ARG 69 + HA ARG 70 OK 64 99 65 99 3.7-5.6 ~297=56, 298/2.9=47...(13) HG3 ARG 69 + HA ARG 70 OK 57 96 60 99 3.2-6.3 3944/2.9=58, ~3943=51...(15) QB ALA 78 - HA ARG 70 far 10 100 10 - 3.0-15.1 QB ALA 77 - HA ARG 70 far 5 95 5 - 5.0-11.8 HG3 LYS 73 - HA ARG 70 far 0 100 0 - 5.6-7.2 HG3 LYS 75 - HA ARG 70 far 0 100 0 - 5.6-12.4 HG2 LYS 75 - HA ARG 70 far 0 100 0 - 5.9-12.0 QB ALA 20 - HA ARG 70 far 0 97 0 - 8.7-19.7 Violated in 1 structures by 0.00 A. Peak 5984 from cnoeabs.peaks (1.79, 4.00, 58.60 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.92: HB3 LYS 73 + HA ARG 70 OK 71 87 100 81 3.2-4.9 1.8/15061=60...(3) HB2 ARG 69 + HA ARG 70 OK 53 99 55 97 4.7-5.5 297/2.9=67, 1.8/5983=32...(11) HB2 LYS 73 + HA ARG 70 OK 45 65 95 73 2.9-5.4 4.0/5987=48, 15061=43...(5) HB3 LYS 75 - HA ARG 70 far 5 99 5 - 4.9-10.9 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 = 0.99: HA ILE 68 + HG3 ARG 71 OK 99 100 100 99 2.0-5.0 5389/779=82, 5045/1.8=62...(7) Violated in 0 structures by 0.00 A. Peak 5990 from cnoeabs.peaks (0.91, 2.78, 38.52 ppm; 5.94 A): 2 out of 9 assignments used, quality = 0.49: QG1 VAL 76 + HB3 ASN 74 OK 34 92 75 49 1.9-8.3 3.9/5855=29, 5850/4.6=23...(4) QG2 VAL 76 + HB3 ASN 74 OK 23 92 50 50 4.4-8.8 3.9/5855=29, 5850/4.6=22 QG1 VAL 76 - HB2 ASN 74 poor 16 48 70 47 2.5-8.3 3.9/5855=30, 5850/4.6=23 QG2 VAL 76 - HB3 ASN 80 poor 12 58 20 - 4.3-12.1 QG2 VAL 76 - HB2 ASN 74 poor 10 48 45 47 5.1-9.2 3.9/5855=30, 5850/4.6=22 QG1 VAL 76 - HB3 ASN 80 far 9 58 15 - 5.8-13.9 QG2 VAL 41 - HB2 ASN 74 far 4 28 15 - 6.4-9.3 QG2 VAL 41 - HB3 ASN 74 far 0 60 0 - 7.2-10.2 QG2 ILE 40 - HB2 ASN 74 far 0 35 0 - 8.8-11.9 Violated in 11 structures by 0.20 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 2.4-4.1 3.8=100 H ASN 80 - HB3 ASN 74 far 0 56 0 - 9.2-18.5 H LYS 13 - HB3 ASN 80 far 0 99 0 - 9.6-61.5 Violated in 0 structures by 0.00 A. Peak 5993 from cnoeabs.peaks (8.23, 1.72, 32.59 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.70: H ARG 84 + HB3 LYS 83 OK 60 60 100 100 2.1-4.6 4.3=100 H ARG 84 + HB3 LYS 85 OK 24 59 60 69 4.4-7.0 3.0/6062=41, 4.6/851=34...(5) H GLN 79 - HB3 LYS 83 far 0 96 0 - 8.8-15.9 Violated in 0 structures by 0.00 A. Peak 5994 from cnoeabs.peaks (4.16, 3.15, 43.10 ppm; 4.16 A): 3 out of 26 assignments used, quality = 0.98: HA ARG 82 + HD2 ARG 82 OK 76 92 85 97 3.7-5.4 5885/3.0=68, 4.9=61...(9) HA ARG 84 + HD3 ARG 84 OK 74 83 90 100 3.2-5.5 5.1=54, 3.0/3418=40...(41) HA ARG 84 + HD2 ARG 84 OK 74 83 90 100 2.1-5.5 5.1=54, 3.0/3418=40...(41) HA ARG 82 - HD3 ARG 84 far 10 96 10 - 4.4-9.7 HA ARG 84 - HD2 ARG 82 far 8 79 10 - 3.8-11.1 HB THR 15 - HD3 ARG 17 far 5 96 5 - 4.4-9.9 HA ARG 82 - HD2 ARG 84 far 0 95 0 - 5.2-10.1 HB THR 15 - HD2 ARG 17 far 0 96 0 - 5.6-9.2 HA ALA 30 - HD3 ARG 26 far 0 34 0 - 5.8-10.3 HA LEU 29 - HD3 ARG 17 far 0 96 0 - 6.0-23.4 HA LEU 29 - HD2 ARG 17 far 0 96 0 - 6.3-24.4 HA ALA 30 - HD2 ARG 26 far 0 35 0 - 6.6-11.5 HA ALA 30 - HD3 ARG 27 far 0 43 0 - 6.6-10.0 HA ALA 30 - HD2 ARG 27 far 0 43 0 - 6.6-10.4 HA ALA 30 - HD3 ARG 17 far 0 54 0 - 6.9-26.1 HA LYS 73 - HD2 ARG 71 far 0 92 0 - 7.1-10.5 HA ASN 49 - HD3 ARG 84 far 0 68 0 - 7.2-38.6 HA ASN 49 - HD2 ARG 84 far 0 68 0 - 7.3-40.0 HA LEU 29 - HD3 ARG 26 far 0 67 0 - 7.4-10.5 HA ALA 30 - HD2 ARG 17 far 0 54 0 - 7.7-27.0 HA LEU 29 - HD2 ARG 26 far 0 70 0 - 8.0-11.0 HB THR 15 - HD3 ARG 26 far 0 68 0 - 8.2-23.4 HA LEU 29 - HD2 ARG 27 far 0 82 0 - 8.3-10.4 HA LEU 29 - HD3 ARG 27 far 0 82 0 - 8.4-10.8 HB THR 15 - HD2 ARG 26 far 0 70 0 - 9.6-24.8 HA ALA 53 - HD3 ARG 84 far 0 100 0 - 9.8-43.1 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 3.5-4.1 4.6=100 H ASN 80 - HB3 LYS 83 far 0 83 0 - 6.6-13.8 H LEU 86 - HB3 LYS 83 far 0 100 0 - 6.8-10.8 H ASN 80 - HB3 LYS 85 far 0 85 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 5996 from cnoeabs.peaks (4.31, 2.21, 36.01 ppm; 4.48 A): 4 out of 17 assignments used, quality = 1.00: HA GLU 87 + HG2 GLU 87 OK 97 97 100 100 2.2-4.2 4.0=100 HA GLU 87 + HG3 GLU 87 OK 97 97 100 100 2.4-4.2 4.0=100 HA LEU 86 + HG2 GLU 87 OK 23 100 50 45 3.8-6.9 3.6/870=29, 3562/3.0=14 HA LEU 86 + HG3 GLU 87 OK 21 100 45 47 3.9-6.6 3.6/870=31, 3562/3.0=14 HA THR 88 - HG3 GLU 87 poor 14 68 40 51 4.0-7.0 3.0/5921=20, ~5921=18...(5) HA THR 88 - HG2 GLU 87 poor 14 68 20 - 4.1-6.8 HA ARG 17 - HG3 GLU 19 far 8 51 15 - 3.4-10.3 HA ARG 17 - HG2 GLU 19 far 8 51 15 - 4.0-10.5 HA ALA 16 - HG3 GLU 19 far 0 90 0 - 6.0-13.5 HA ASP 38 - HG2 GLU 19 far 0 53 0 - 6.1-19.9 HA ALA 16 - HG2 GLU 19 far 0 90 0 - 6.5-13.8 HA ASP 38 - HG3 GLU 19 far 0 53 0 - 6.7-20.2 HA PRO 34 - HG3 GLU 19 far 0 85 0 - 8.3-22.2 HA SER 60 - HG3 GLU 87 far 0 63 0 - 8.4-47.6 HA SER 60 - HG2 GLU 87 far 0 63 0 - 9.1-46.9 HA PRO 34 - HG2 GLU 19 far 0 85 0 - 9.4-23.2 HA LEU 86 - HG3 GLU 50 far 0 98 0 - 9.5-50.3 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 - 7.9-12.1 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 3 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 27 68 75 52 4.6-6.9 ~5904=43, ~3588=14 H LEU 57 - QG2 ILE 89 far 0 99 0 - 7.2-47.2 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 2 assignments used, quality = 0.98: * QE TYR 81 + QD TYR 81 OK 98 98 100 100 2.2-2.2 2.2=100 QE TYR 55 - QD TYR 81 far 0 61 0 - 9.8-28.1 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 4 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 - 7.7-8.6 QD PHE 48 - QE TYR 81 far 0 95 0 - 8.8-22.0 QD TYR 81 - QE TYR 55 far 0 65 0 - 9.8-28.1 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 2.3-3.7 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 6 assignments used, quality = 0.98: HB3 TYR 81 + QD TYR 81 OK 98 98 100 100 2.3-2.7 2.5=100 HE2 LYS 39 - QD TYR 81 far 5 98 5 - 6.5-29.9 HE2 LYS 13 - QD TYR 81 far 0 94 0 - 7.3-50.3 HE3 LYS 13 - QD TYR 81 far 0 93 0 - 7.8-49.9 HE3 LYS 39 - QD TYR 81 far 0 98 0 - 8.0-30.5 HE3 LYS 73 - QD TYR 81 far 0 66 0 - 9.5-22.4 Violated in 0 structures by 0.00 A. Peak 6008 from cnoeabs.peaks (4.19, 6.79, 117.91 ppm; 5.33 A): 3 out of 5 assignments used, quality = 0.85: HA GLN 79 + QE TYR 81 OK 52 97 55 97 2.3-9.4 3.0/4681=76...(5) HA ARG 82 + QE TYR 81 OK 46 92 55 92 4.2-7.7 ~4683=56, 5868/2.2=48...(6) HA ALA 78 + QE TYR 81 OK 43 86 50 100 3.3-12.8 2.1/4686=90, 6048/2.2=73...(7) HA ARG 84 - QE TYR 81 far 0 98 0 - 6.8-13.1 HA ALA 53 - QE TYR 55 far 0 37 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 6009 from cnoeabs.peaks (4.08, 2.78, 38.52 ppm; 4.96 A): 0 out of 2 assignments used, quality = 0.00: ! HA ARG 71 - HB3 ASN 74 poor 15 100 25 61 3.9-8.9 6078/3.5=59, 6153/4.0=4 HA ARG 71 - HB2 ASN 74 poor 11 57 20 - 2.5-9.1 Violated in 15 structures by 1.04 A. Peak 6010 from cnoeabs.peaks (4.08, 2.81, 38.52 ppm; 4.87 A): 0 out of 2 assignments used, quality = 0.00: HA ARG 71 - HB3 ASN 74 poor 14 57 25 - 3.9-8.9 ! HA ARG 71 - HB2 ASN 74 poor 12 100 20 59 2.5-9.1 6078/3.5=57, 6153/4.0=4 Violated in 15 structures by 1.10 A. Peak 6011 from cnoeabs.peaks (3.97, 1.97, 28.98 ppm; 4.82 A): 0 out of 6 assignments used, quality = 0.00: HA VAL 76 - HB3 GLN 79 far 9 63 15 - 4.4-11.4 ! HA VAL 76 - HB2 GLN 79 far 0 100 0 - 6.0-11.8 HA2 GLY 72 - HB2 GLN 79 far 0 100 0 - 8.6-25.4 HA ARG 66 - HB3 GLN 79 far 0 59 0 - 9.3-27.5 HA ARG 66 - HB2 GLN 79 far 0 98 0 - 9.9-27.3 HA2 GLY 72 - HB3 GLN 79 far 0 62 0 - 10.0-26.0 Violated in 18 structures by 2.61 A. Peak 6012 from cnoeabs.peaks (4.61, 2.76, 38.61 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.99: HA ASN 80 + HB3 ASN 80 OK 97 97 100 100 2.3-3.0 3.0=100 HA ASN 74 + HB3 ASN 74 OK 68 68 100 100 2.3-3.0 3.0=100 HA PRO 36 - HB3 ASN 80 far 0 99 0 - 9.3-39.3 HA ASN 74 - HB3 ASN 80 far 0 100 0 - 9.6-21.1 Violated in 0 structures by 0.00 A. Peak 6031 from cnoeabs.peaks (3.97, 1.84, 32.59 ppm; 4.72 A): 2 out of 11 assignments used, quality = 1.00: HA VAL 76 + HB2 LYS 75 OK 100 100 100 100 4.0-5.3 3.0/340=83, 5853=66...(15) HA2 GLY 72 + HB2 LYS 73 OK 73 75 100 97 4.3-5.6 5844=76, 3.6/787=68...(8) ! HA2 GLY 72 - HB2 LYS 75 far 5 100 5 - 4.6-12.3 HA2 GLY 21 - HB2 LYS 75 far 5 90 5 - 5.5-27.9 HA3 GLY 21 - HB2 LYS 75 far 4 89 5 - 4.8-27.9 HA VAL 76 - HB2 LYS 73 far 0 77 0 - 6.8-11.7 HA ARG 66 - HB2 LYS 73 far 0 73 0 - 7.8-10.6 HA ALA 28 - HB2 LYS 39 far 0 82 0 - 8.7-12.2 HA3 GLY 21 - HB2 LYS 73 far 0 62 0 - 9.5-20.8 HA ARG 66 - HB2 LYS 75 far 0 98 0 - 9.6-17.5 HA2 GLY 72 - HB2 LYS 39 far 0 86 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 6032 from cnoeabs.peaks (3.96, 1.79, 32.59 ppm; 5.19 A): 2 out of 12 assignments used, quality = 1.00: HA VAL 76 + HB3 LYS 75 OK 100 100 100 100 4.2-5.9 3.0/341=80, 5853/1.8=78...(15) HA2 GLY 72 + HB3 LYS 73 OK 88 93 95 100 4.7-6.3 5844/1.8=92, 3.6/788=89...(7) HA VAL 76 - HB3 LYS 73 poor 18 91 20 - 5.4-10.4 HA THR 37 - HB3 LYS 39 far 8 56 15 - 5.5-7.1 HA3 GLY 21 - HB3 LYS 75 far 5 96 5 - 5.7-27.1 HA LYS 32 - HB2 LYS 13 far 4 81 5 - 4.1-22.6 ! HA2 GLY 72 - HB3 LYS 75 far 0 100 0 - 6.1-11.8 HA2 GLY 21 - HB3 LYS 75 far 0 97 0 - 6.4-27.3 HA ARG 66 - HB3 LYS 73 far 0 82 0 - 8.3-12.2 HA ALA 28 - HB3 LYS 39 far 0 92 0 - 9.4-13.6 HA3 GLY 21 - HB3 LYS 73 far 0 85 0 - 9.4-22.5 HA ARG 66 - HB3 LYS 75 far 0 93 0 - 9.4-16.9 Violated in 3 structures by 0.00 A. Peak 6033 from cnoeabs.peaks (8.09, 3.74, 46.02 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.88: H ARG 71 + HA3 GLY 72 OK 88 89 100 99 4.6-5.5 5397/3.0=86, 6034/1.8=78...(8) H LYS 75 - HA3 GLY 72 far 5 100 5 - 4.9-9.6 Violated in 1 structures by 0.00 A. Peak 6034 from cnoeabs.peaks (8.10, 3.96, 46.02 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.98: H ARG 71 + HA2 GLY 72 OK 98 99 100 100 4.6-5.2 5397/3.0=96, 6033/1.8=78...(8) H LYS 75 - HA2 GLY 72 far 5 99 5 - 4.0-9.9 Violated in 0 structures by 0.00 A. Peak 6036 from cnoeabs.peaks (1.83, 3.74, 46.02 ppm; 4.93 A): 3 out of 9 assignments used, quality = 1.00: HB2 LYS 73 + HA3 GLY 72 OK 99 100 100 99 4.6-5.7 787/3.6=86, 5844/1.8=85...(6) HB2 ARG 71 + HA3 GLY 72 OK 66 68 100 98 4.0-5.7 4.0/6033=50, ~5841=43...(13) HB3 ARG 71 + HA3 GLY 72 OK 61 65 95 98 4.1-6.0 4.0/6033=50, ~5841=43...(12) HB2 LYS 75 - HA3 GLY 72 far 0 90 0 - 6.2-12.5 HB2 ARG 69 - HA3 GLY 72 far 0 73 0 - 6.3-8.9 HB2 ARG 23 - HA3 GLY 72 far 0 83 0 - 6.9-15.2 HB3 ARG 23 - HA3 GLY 72 far 0 81 0 - 8.2-15.2 HB2 ARG 27 - HA3 GLY 72 far 0 68 0 - 9.2-13.8 HB3 ARG 27 - HA3 GLY 72 far 0 65 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 6037 from cnoeabs.peaks (2.04, 4.18, 56.67 ppm; 4.17 A): 0 out of 11 assignments used, quality = 0.00: ! HB VAL 76 - HA LYS 73 far 5 99 5 - 4.7-12.1 HB3 MET 31 - HA LEU 29 far 0 41 0 - 5.1-7.0 HB3 GLU 19 - HA LEU 29 far 0 68 0 - 5.2-17.8 HB3 GLU 25 - HA LEU 29 far 0 65 0 - 6.0-9.1 HD2 ARG 69 - HA LYS 73 far 0 91 0 - 6.0-9.4 HD3 ARG 69 - HA LYS 73 far 0 91 0 - 6.2-9.3 HB2 GLU 25 - HA LEU 29 far 0 66 0 - 6.9-9.0 HB2 GLU 87 - HA ARG 84 far 0 89 0 - 7.7-12.8 HB VAL 45 - HA LYS 73 far 0 78 0 - 9.0-12.4 HB2 GLU 87 - HA ARG 82 far 0 47 0 - 9.6-19.6 HB VAL 45 - HA ARG 82 far 0 37 0 - 10.0-31.1 Violated in 20 structures by 1.12 A. Peak 6038 from cnoeabs.peaks (7.96, 4.18, 56.67 ppm; 3.52 A): 3 out of 6 assignments used, quality = 0.86: H LEU 29 + HA LEU 29 OK 68 68 100 100 2.8-2.9 3.0=100 H ALA 30 + HA LEU 29 OK 44 44 100 100 3.5-3.6 3.6=96, 908/3.0=53...(13) H LYS 32 + HA LEU 29 OK 24 55 100 43 2.9-4.0 4.6/5179=13, 89/5526=13...(5) H VAL 76 - HA LYS 73 far 5 99 5 - 4.0-9.9 H ARG 70 - HA LYS 73 far 0 98 0 - 7.3-7.8 H ARG 69 - HA LYS 73 far 0 71 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 6040 from cnoeabs.peaks (4.62, 1.38, 18.78 ppm; 3.44 A): 0 out of 9 assignments used, quality = 0.00: ! HA ASN 74 - QB ALA 77 far 15 100 15 - 2.9-9.8 HA ASN 80 - QB ALA 77 far 10 99 10 - 3.5-9.8 HA PRO 36 - QB ALA 20 far 5 98 5 - 3.8-14.0 HA ASN 80 - QB ALA 78 far 4 90 5 - 3.8-6.6 HA PRO 36 - QB ALA 16 far 0 59 0 - 5.3-14.0 HA ASN 74 - QB ALA 78 far 0 92 0 - 5.7-13.3 HA ASN 80 - QB ALA 16 far 0 60 0 - 7.2-44.2 HA ASN 74 - QB ALA 20 far 0 100 0 - 8.1-20.9 HA PRO 36 - QB ALA 78 far 0 88 0 - 9.6-26.5 Violated in 19 structures by 0.96 A. Peak 6041 from cnoeabs.peaks (1.38, 4.62, 53.40 ppm; 3.64 A): 1 out of 15 assignments used, quality = 0.20: * QB ALA 77 + HA ASN 74 OK 20 100 20 100 2.9-9.8 16040=100, 2.9/6039=36...(6) QB ALA 77 - HA ASN 80 far 10 99 10 - 3.5-9.8 HG3 LYS 75 - HA ASN 74 far 9 93 10 - 3.2-7.4 QB ALA 78 - HA ASN 80 far 9 93 10 - 3.8-6.6 HG2 LYS 75 - HA ASN 74 far 9 93 10 - 4.5-7.5 HG2 LYS 83 - HA ASN 80 far 5 97 5 - 3.0-13.2 HG3 LYS 73 - HA ASN 74 far 0 96 0 - 5.0-6.9 QB ALA 78 - HA ASN 74 far 0 96 0 - 5.7-13.3 HG3 ARG 69 - HA ASN 74 far 0 100 0 - 5.7-11.0 QB ALA 16 - HA ASN 80 far 0 88 0 - 7.2-44.2 HB3 ARG 69 - HA ASN 74 far 0 85 0 - 7.8-11.5 HG2 LYS 75 - HA ASN 80 far 0 91 0 - 8.0-19.2 QB ALA 20 - HA ASN 74 far 0 100 0 - 8.1-20.9 HG3 LYS 75 - HA ASN 80 far 0 91 0 - 9.1-18.4 HG2 LYS 85 - HA ASN 80 far 0 99 0 - 9.9-18.8 Violated in 19 structures by 2.97 A. Peak 6044 from cnoeabs.peaks (1.97, 3.97, 62.83 ppm; 4.20 A): 0 out of 7 assignments used, quality = 0.00: HB3 GLN 79 - HA VAL 76 far 6 63 10 - 4.4-11.4 HB2 ARG 70 - HA VAL 76 far 5 96 5 - 4.5-12.8 ! HB2 GLN 79 - HA VAL 76 far 0 100 0 - 6.0-11.8 HB3 ARG 70 - HA VAL 76 far 0 96 0 - 6.3-13.3 HG3 PRO 14 - HA VAL 76 far 0 87 0 - 8.4-47.8 HB3 ARG 66 - HA VAL 76 far 0 71 0 - 8.9-18.8 HG2 PRO 14 - HA VAL 76 far 0 87 0 - 8.9-46.8 Violated in 20 structures by 2.63 A. Peak 6046 from cnoeabs.peaks (2.75, 4.23, 52.70 ppm; 4.50 A): 0 out of 4 assignments used, quality = 0.00: HB3 ASN 80 - HA ALA 78 far 8 52 15 - 4.4-9.5 HB3 ASN 80 - HA ALA 77 far 0 99 0 - 5.5-12.5 HB2 ASN 42 - HA ALA 20 far 0 49 0 - 7.9-21.7 HB3 ASN 42 - HA ALA 20 far 0 47 0 - 9.2-23.1 Violated in 18 structures by 2.01 A. Peak 6048 from cnoeabs.peaks (7.08, 4.21, 52.88 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.50: QD TYR 81 + HA ALA 78 OK 50 100 50 100 2.0-10.6 4685/2.1=90, 2.5/5862=83...(8) QD TYR 81 - HA ALA 77 far 3 57 5 - 5.4-12.8 QD PHE 48 - HA ALA 77 far 0 53 0 - 7.0-20.8 QD PHE 48 - HA ALA 78 far 0 98 0 - 8.8-21.4 Violated in 13 structures by 1.72 A. Peak 6049 from cnoeabs.peaks (2.98, 4.21, 52.88 ppm; 4.67 A): 1 out of 10 assignments used, quality = 0.35: HB3 TYR 81 + HA ALA 78 OK 35 100 35 100 2.8-10.2 15459=98, 1.8/5862=83...(6) HE3 LYS 73 - HA ALA 78 far 7 71 10 - 5.3-20.5 HE2 LYS 73 - HA ALA 77 far 2 35 5 - 4.4-18.3 HE3 LYS 73 - HA ALA 77 far 2 33 5 - 4.0-18.9 HE2 LYS 75 - HA ALA 78 far 0 90 0 - 6.3-14.5 HE2 LYS 73 - HA ALA 78 far 0 73 0 - 6.7-20.2 HB3 TYR 81 - HA ALA 77 far 0 57 0 - 7.2-13.3 HE3 LYS 75 - HA ALA 77 far 0 45 0 - 7.4-12.1 HE3 LYS 75 - HA ALA 78 far 0 89 0 - 7.5-14.6 HE2 LYS 75 - HA ALA 77 far 0 46 0 - 7.8-12.5 Violated in 13 structures by 2.51 A. Peak 6050 from cnoeabs.peaks (8.04, 4.20, 56.12 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.88: H ARG 82 + HA ARG 82 OK 74 74 100 100 2.3-2.9 3.0=100 H TYR 81 + HA GLN 79 OK 54 100 80 67 3.2-6.3 5882=43, 3.9/5459=23...(4) H TYR 81 - HA ARG 82 poor 16 74 30 70 4.6-6.4 ~5474=37, 4.5/5868=24...(6) H ARG 82 - HA GLN 79 far 5 100 5 - 3.2-9.0 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 10 assignments used, quality = 0.73: HB3 ARG 82 + HA ARG 82 OK 73 73 100 100 2.3-3.0 3.0=100 HB2 LYS 83 - HA ARG 82 far 0 65 0 - 4.3-5.7 HB3 ARG 82 - HA GLN 79 far 0 100 0 - 4.3-11.3 HB2 LYS 83 - HA GLN 79 far 0 95 0 - 5.7-14.9 HB2 LYS 13 - HA GLN 79 far 0 81 0 - 7.7-57.2 HB3 LYS 39 - HA GLN 79 far 0 93 0 - 9.2-32.1 HB3 LYS 75 - HA GLN 79 far 0 85 0 - 9.2-15.4 HG3 ARG 71 - HA GLN 79 far 0 89 0 - 9.3-25.4 HB3 LYS 73 - HA GLN 79 far 0 98 0 - 9.5-19.0 HB2 LYS 13 - HA ARG 82 far 0 52 0 - 9.8-61.8 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 5 assignments used, quality = 1.00: HB3 ASN 80 + HA ASN 80 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 74 + HA ASN 74 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 ASN 42 - HA ASN 80 far 0 100 0 - 9.6-32.3 HB3 ASN 80 - HA ASN 74 far 0 99 0 - 9.6-21.1 HB3 ASN 42 - HA ASN 80 far 0 99 0 - 9.8-31.9 Violated in 0 structures by 0.00 A. Peak 6053 from cnoeabs.peaks (1.77, 4.62, 53.37 ppm; 4.51 A): 2 out of 9 assignments used, quality = 0.90: HB3 LYS 73 + HA ASN 74 OK 82 99 100 83 3.7-4.8 325/3.0=48, ~324=42...(7) HB3 LYS 75 + HA ASN 74 OK 41 93 60 74 4.1-6.5 ~5875=33, 804/3.6=31...(8) HB2 LYS 83 - HA ASN 80 far 15 99 15 - 3.5-12.6 HB3 ARG 82 - HA ASN 80 far 10 98 10 - 4.4-8.7 HB2 LYS 13 - HA ASN 80 far 5 92 5 - 4.1-61.1 HG3 ARG 71 - HA ASN 74 far 0 74 0 - 6.7-10.0 HB2 ARG 69 - HA ASN 74 far 0 61 0 - 7.0-11.1 HB3 ARG 84 - HA ASN 80 far 0 63 0 - 9.2-14.4 HB2 LYS 85 - HA ASN 80 far 0 63 0 - 9.7-18.8 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 2 assignments used, quality = 0.00: HA ASN 80 - HB3 LYS 83 far 14 96 15 - 4.2-11.6 HA ASN 80 - HB3 LYS 85 far 0 97 0 - 8.1-17.2 Violated in 18 structures by 3.18 A. Peak 6058 from cnoeabs.peaks (4.46, 1.80, 30.41 ppm; 5.08 A): 0 out of 5 assignments used, quality = 0.00: HA PRO 14 - HB3 LYS 32 far 0 45 0 - 6.7-27.4 HA TYR 81 - HB3 ARG 84 far 0 100 0 - 7.0-12.4 HA ASP 46 - HB3 ARG 84 far 0 63 0 - 7.6-43.3 HA PRO 14 - HB2 PRO 34 far 0 65 0 - 7.7-26.1 HA PRO 14 - HB2 LYS 32 far 0 45 0 - 8.3-28.0 Violated in 20 structures by 4.28 A. Peak 6059 from cnoeabs.peaks (1.81, 4.46, 58.30 ppm; 5.65 A): 0 out of 5 assignments used, quality = 0.00: HB2 LYS 83 - HA TYR 81 lone 0 68 30 2 4.3-9.4 HB3 ARG 84 - HA TYR 81 far 0 100 0 - 7.0-12.4 HB3 LYS 39 - HA TYR 81 far 0 71 0 - 7.7-33.9 HB2 LYS 13 - HA TYR 81 far 0 87 0 - 8.1-58.7 HB3 LYS 75 - HA SER 22 far 0 75 0 - 8.8-24.2 Violated in 16 structures by 1.58 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 3.1-5.3 5085/3.0=72, 5084/3.0=60...(7) H SER 22 + HA SER 22 OK 81 81 100 100 2.8-2.9 2.9=100 H GLN 79 - HA TYR 81 poor 20 78 25 - 5.1-8.5 H ARG 84 - HA TYR 81 far 10 100 10 - 5.5-9.6 H ARG 27 - HA SER 22 far 0 83 0 - 6.7-8.9 H ALA 28 - HA SER 22 far 0 77 0 - 7.6-10.3 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 23 assignments used, quality = 0.91: HA LYS 73 + HB2 LYS 73 OK 76 76 100 100 2.3-2.9 3.0=100 HA LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.8-3.0 3.0=100 HA ARG 84 - HB2 LYS 85 far 0 100 0 - 4.1-6.6 HA ARG 84 - HB2 LYS 83 far 0 81 0 - 4.3-5.8 HA ARG 82 - HB2 LYS 83 far 0 77 0 - 4.3-5.7 HA LYS 73 - HB3 LYS 75 far 0 90 0 - 4.6-9.5 HB THR 15 - HB2 LYS 13 far 0 69 0 - 5.2-8.8 HA GLN 79 - HB2 LYS 83 far 0 72 0 - 5.7-14.9 HA ARG 82 - HB2 LYS 85 far 0 99 0 - 6.0-13.0 HA ALA 78 - HB3 LYS 73 far 0 45 0 - 6.1-15.8 HA ALA 78 - HB2 LYS 13 far 0 59 0 - 6.4-53.8 HA ALA 78 - HB2 LYS 73 far 0 54 0 - 7.0-17.3 HA LEU 29 - HB2 LYS 13 far 0 55 0 - 7.1-22.5 HA GLN 79 - HB2 LYS 85 far 0 95 0 - 7.7-20.9 HA GLN 79 - HB2 LYS 13 far 0 75 0 - 7.7-57.2 HA ILE 89 - HB2 LYS 85 far 0 92 0 - 8.1-13.2 HA ALA 78 - HB2 LYS 83 far 0 56 0 - 8.2-18.1 HB THR 15 - HB3 LYS 39 far 0 60 0 - 8.2-26.7 HA ALA 78 - HB3 LYS 75 far 0 66 0 - 8.5-11.8 HA GLN 79 - HB3 LYS 39 far 0 66 0 - 9.2-32.1 HA GLN 79 - HB3 LYS 75 far 0 83 0 - 9.2-15.4 HA GLN 79 - HB3 LYS 73 far 0 58 0 - 9.5-19.0 HA ARG 82 - HB2 LYS 13 far 0 81 0 - 9.8-61.8 Violated in 0 structures by 0.00 A. Peak 6062 from cnoeabs.peaks (4.18, 1.72, 32.58 ppm; 3.86 A): 2 out of 8 assignments used, quality = 0.68: HA ARG 84 + HB3 LYS 85 OK 49 99 80 62 4.2-5.9 377/4.0=42, 3.0/5993=11...(7) HA ARG 84 + HB3 LYS 83 OK 37 99 60 62 4.1-6.1 3.0/369=29, ~368=20...(7) HA ARG 82 - HB3 LYS 83 poor 17 100 55 31 3.9-6.2 3.6/833=29, ~3280=2 HA ARG 82 - HB3 LYS 85 far 0 100 0 - 5.0-11.9 HA GLN 79 - HB3 LYS 83 far 0 83 0 - 6.4-14.3 HA GLN 79 - HB3 LYS 85 far 0 85 0 - 8.0-20.5 HA ALA 78 - HB3 LYS 83 far 0 61 0 - 9.1-18.0 HA ILE 89 - HB3 LYS 85 far 0 98 0 - 9.8-14.4 Violated in 19 structures by 0.29 A. Peak 6065 from cnoeabs.peaks (7.46, 1.77, 30.20 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.99: HE21 GLN 61 + HB2 LYS 32 OK 94 99 100 95 2.9-5.3 4667=40, 1.7/4670=31...(13) HE21 GLN 61 + HB3 LYS 32 OK 84 99 90 95 3.6-6.2 4667/1.8=38, 4064/3.0=27...(13) HE21 GLN 79 - HB3 ARG 82 far 8 75 10 - 5.1-15.1 HE21 GLN 61 - HB2 PRO 34 far 3 62 5 - 5.0-8.7 HE21 GLN 79 - HB3 ARG 84 far 0 45 0 - 8.0-21.1 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 7 assignments used, quality = 1.00: HD3 LYS 39 + HB3 PHE 35 OK 93 99 95 98 3.3-6.9 ~5939=46, 5944/3.0=36...(17) HD2 LYS 39 + HB3 PHE 35 OK 92 99 95 98 3.2-6.8 ~5939=46, 5942/2.6=35...(17) HG2 LYS 39 + HB3 PHE 35 OK 61 63 100 97 3.3-5.3 5939/2.6=48, ~5940=41...(14) HB3 LEU 51 - HB3 PHE 35 far 0 76 0 - 6.6-8.4 HB3 ARG 54 - HB3 PHE 35 far 0 63 0 - 7.0-9.0 HG3 ARG 54 - HB3 PHE 35 far 0 100 0 - 8.6-11.3 HB3 LEU 29 - HB3 PHE 35 far 0 100 0 - 10.0-13.8 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 10 assignments used, quality = 1.00: HD3 LYS 39 + HB2 PHE 35 OK 99 100 100 99 2.0-5.7 ~5939=53, 5944/3.0=40...(17) HD2 LYS 39 + HB2 PHE 35 OK 99 100 100 99 2.7-5.5 ~5939=53, 5942/2.6=39...(17) HB3 LEU 51 + HB3 PHE 48 OK 45 45 100 100 4.2-5.7 4464/3.0=90, ~4466=69...(14) HB3 LEU 51 - HB2 PHE 35 far 4 85 5 - 6.5-8.1 HD2 LYS 39 - HB3 PHE 48 far 3 60 5 - 6.3-10.8 HD3 LYS 39 - HB3 PHE 48 far 0 61 0 - 7.0-11.8 HG LEU 62 - HB3 PHE 48 far 0 52 0 - 9.3-10.7 HG3 ARG 54 - HB2 PHE 35 far 0 100 0 - 9.5-12.3 HG3 ARG 54 - HB3 PHE 48 far 0 60 0 - 9.5-11.8 HB3 LEU 29 - HB2 PHE 35 far 0 100 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 6068 from cnoeabs.peaks (1.21, 0.62, 23.89 ppm; 5.18 A): 4 out of 6 assignments used, quality = 1.00: HG LEU 52 + QD1 LEU 51 OK 95 97 100 98 4.9-5.9 668/4.6=73, 4537/5686=45...(13) QG2 VAL 65 + QD1 LEU 51 OK 70 99 80 87 4.6-6.7 ~6104=51, 4717/4580=35...(9) QG1 VAL 65 + QD1 LEU 51 OK 60 68 95 92 4.4-6.4 6104/2.1=47...(10) HG13 ILE 40 + QD1 LEU 51 OK 53 71 75 100 4.4-6.4 ~5173=57, ~4301=52...(12) HG13 ILE 33 - QD1 LEU 51 far 0 95 0 - 7.6-9.2 QG2 THR 15 - QD1 LEU 51 far 0 92 0 - 9.3-18.1 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 3.0-4.0 4608=85, 4613/4547=40...(19) Violated in 1 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 4.0-4.9 2.1/6069=99, 3.1/4981=72...(16) QD1 ILE 33 + HA LEU 62 OK 90 92 100 98 4.4-5.7 5795/4674=66...(7) 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 99 4.0-4.4 5252/3.0=76...(6) QG2 ILE 68 - HA LEU 64 far 0 90 0 - 6.4-7.0 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 3.2-4.4 2.2/4605=94, 4604=80...(16) Violated in 0 structures by 0.00 A. Peak 6073 from cnoeabs.peaks (3.58, 2.03, 42.48 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.94: HA VAL 41 + HD2 ARG 69 OK 85 100 85 100 2.0-7.2 5253/3.0=76, 4342/3.0=73...(15) HA VAL 41 + HD3 ARG 69 OK 60 100 60 100 3.0-7.7 5253/3.0=76, 4342/3.0=73...(15) Violated in 6 structures by 0.21 A. Peak 6075 from cnoeabs.peaks (2.95, 1.77, 30.20 ppm; 5.45 A): 6 out of 19 assignments used, quality = 1.00: HE2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.2-4.5 4.6=100 HE3 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.1-4.9 4.6=100 HE2 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.8-5.3 4.6=100 HE3 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.7-5.1 4.6=100 HB3 TYR 55 + HB2 PRO 34 OK 55 55 100 100 2.4-4.8 ~4666=70, ~4859=64...(17) HB3 TYR 81 + HB3 ARG 82 OK 45 48 95 99 3.4-6.4 2.5/4683=88, 1.8/5887=58...(7) HE3 LYS 13 - HB3 ARG 82 far 4 71 5 - 4.5-58.7 HE2 LYS 13 - HB3 ARG 82 far 4 70 5 - 4.7-59.3 HE2 LYS 39 - HB2 PRO 34 far 2 40 5 - 6.3-12.0 HB3 TYR 81 - HB3 ARG 84 far 1 27 5 - 5.5-14.5 HE2 LYS 13 - HB3 LYS 32 far 0 93 0 - 6.9-25.2 HE3 LYS 39 - HB2 PRO 34 far 0 37 0 - 7.4-10.8 HE2 LYS 32 - HB2 PRO 34 far 0 65 0 - 7.5-12.7 HB3 TYR 55 - HB2 LYS 32 far 0 93 0 - 8.2-11.6 HE2 LYS 13 - HB2 LYS 32 far 0 93 0 - 8.4-27.0 HE3 LYS 13 - HB3 LYS 32 far 0 95 0 - 8.6-24.3 HB3 TYR 55 - HB3 LYS 32 far 0 93 0 - 8.7-10.9 HE3 LYS 13 - HB2 LYS 32 far 0 95 0 - 8.9-25.7 HE3 LYS 32 - HB2 PRO 34 far 0 65 0 - 9.0-12.5 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 2.4-4.3 ~4601=76, ~4629=76...(11) HE22 GLN 61 - HB3 PHE 35 far 0 98 0 - 8.1-10.3 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 3.0-4.0 4371=96, 624/5357=61...(7) H LEU 51 - HA LYS 39 far 0 87 0 - 8.4-11.1 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 99 100 100 4.0-4.8 915/3.6=79, 5632/3.0=62...(9) HD21 ASN 42 + HA LYS 39 OK 89 100 100 89 3.9-5.4 5089/5790=49...(6) 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 80 81 100 100 2.1-5.1 5205/3.5=52, 6087/3.0=51...(22) QD2 LEU 51 + HD3 LYS 39 OK 80 81 100 100 1.9-5.3 5205/3.5=52, 6087/3.0=51...(22) QD2 LEU 51 - HD3 LYS 73 far 0 44 0 - 8.4-12.9 QD2 LEU 51 - HD2 LYS 73 far 0 44 0 - 8.8-13.1 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 = 0.96: QD1 LEU 51 + HD3 LYS 39 OK 80 81 100 99 2.0-4.8 ~6087=45, 2.1/6085=40...(19) QD1 LEU 51 + HD2 LYS 39 OK 80 81 100 99 2.5-4.7 ~6087=45, 2.1/6085=40...(19) 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 2.9-4.3 5205/2.9=80, 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; 4.61 A): 2 out of 5 assignments used, quality = 0.97: QD1 LEU 51 + HE2 LYS 39 OK 82 89 100 92 2.5-5.0 2.1/4948=31, 6086/3.0=28...(12) QD1 LEU 51 + HE3 LYS 39 OK 81 88 100 92 1.9-5.4 2.1/4948=30, 6086/3.0=28...(11) QD1 LEU 51 - HE3 LYS 13 far 0 79 0 - 8.5-26.2 QD1 LEU 51 - HE2 LYS 13 far 0 80 0 - 8.7-26.8 QD1 LEU 51 - HE3 LYS 73 far 0 57 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 6089 from cnoeabs.peaks (3.56, 2.98, 41.78 ppm; 4.29 A): 2 out of 12 assignments used, quality = 0.99: HD3 PRO 36 + HE3 LYS 39 OK 94 99 100 95 3.5-4.9 5208/3.6=39, ~5114=35...(14) HD3 PRO 36 + HE2 LYS 39 OK 81 99 85 96 2.8-6.3 2.3/5114=50, 5208/3.6=39...(14) HA VAL 41 - HE2 LYS 73 poor 19 53 55 65 3.6-6.1 3.2/6092=17, 3.2/6091=16...(9) HA VAL 41 - HE3 LYS 73 poor 15 50 45 65 2.9-6.9 ~6092=18, 3.2/6091=16...(9) HD3 PRO 34 - HE2 LYS 32 far 0 50 0 - 5.9-9.9 HD3 PRO 34 - HE3 LYS 32 far 0 52 0 - 6.2-9.5 HA VAL 41 - HE3 LYS 75 far 0 68 0 - 8.0-15.2 HD3 PRO 34 - HE2 LYS 39 far 0 83 0 - 8.3-14.4 HA VAL 41 - HE2 LYS 75 far 0 70 0 - 8.4-16.5 HA VAL 41 - HE3 LYS 39 far 0 87 0 - 8.6-11.1 HA VAL 41 - HE2 LYS 39 far 0 87 0 - 8.7-11.5 HD3 PRO 34 - HE3 LYS 39 far 0 83 0 - 8.9-13.3 Violated in 1 structures by 0.02 A. Peak 6090 from cnoeabs.peaks (4.22, 2.98, 41.78 ppm; 4.29 A): 3 out of 27 assignments used, quality = 0.76: HA LYS 75 + HE3 LYS 75 OK 51 64 80 99 4.5-5.7 3072/2.9=31, 6.4=30...(49) HA LYS 75 + HE2 LYS 75 OK 36 66 55 99 3.7-6.0 3072/2.9=31, 6.4=30...(49) HA LYS 39 + HE2 LYS 39 OK 24 68 35 100 3.3-6.6 1837/3.6=46, 1836/3.6=41...(43) HA LYS 39 - HE3 LYS 39 poor 17 68 25 - 3.6-6.0 HA THR 15 - HE3 LYS 32 far 7 48 15 - 2.8-27.6 HA THR 15 - HE2 LYS 32 far 5 46 10 - 2.4-28.5 HA THR 15 - HE2 LYS 13 far 3 67 5 - 3.0-11.1 HA THR 15 - HE3 LYS 13 far 3 66 5 - 3.9-11.2 HA ALA 77 - HE2 LYS 73 far 3 64 5 - 4.4-18.3 HA ALA 77 - HE3 LYS 73 far 3 61 5 - 4.0-18.9 HA LYS 75 - HE3 LYS 73 far 2 47 5 - 4.3-11.9 HA ALA 78 - HE3 LYS 73 far 0 50 0 - 5.3-20.5 HA LYS 75 - HE2 LYS 73 far 0 50 0 - 5.9-12.4 HA ALA 78 - HE2 LYS 75 far 0 70 0 - 6.3-14.5 HA ALA 78 - HE2 LYS 73 far 0 53 0 - 6.7-20.2 HA ALA 77 - HE3 LYS 75 far 0 81 0 - 7.4-12.1 HA ALA 78 - HE3 LYS 75 far 0 68 0 - 7.5-14.6 HB THR 37 - HE2 LYS 39 far 0 100 0 - 7.8-11.2 HA ALA 77 - HE2 LYS 75 far 0 83 0 - 7.8-12.5 HB THR 37 - HE3 LYS 39 far 0 100 0 - 8.1-11.0 HA GLN 79 - HE3 LYS 73 far 0 36 0 - 8.7-21.4 HA GLN 79 - HE2 LYS 75 far 0 50 0 - 8.8-18.0 HA LYS 39 - HE3 LYS 73 far 0 37 0 - 8.8-12.2 HA GLN 79 - HE2 LYS 73 far 0 37 0 - 8.8-20.9 HA LYS 39 - HE2 LYS 73 far 0 39 0 - 9.0-11.8 HA LYS 83 - HE3 LYS 13 far 0 72 0 - 9.5-63.6 HA GLN 79 - HE3 LYS 75 far 0 49 0 - 9.6-17.5 Violated in 9 structures by 0.07 A. Peak 6091 from cnoeabs.peaks (2.96, 0.80, 21.38 ppm; 5.61 A): 2 out of 7 assignments used, quality = 1.00: HE2 LYS 73 + QG1 VAL 41 OK 100 100 100 100 2.4-5.1 3.7/4904=83, 3.7/5258=74...(14) HE3 LYS 73 + QG1 VAL 41 OK 99 99 100 100 2.8-4.9 3.7/4904=83, 3.7/5258=74...(14) HE2 LYS 75 - QG1 VAL 41 far 10 100 10 - 5.3-12.1 HE3 LYS 75 - QG1 VAL 41 far 5 100 5 - 6.0-11.4 HE2 LYS 39 - QG1 VAL 41 far 0 85 0 - 8.7-10.6 HE3 LYS 39 - QG1 VAL 41 far 0 81 0 - 9.3-10.6 HB3 TYR 81 - QG1 VAL 41 far 0 81 0 - 9.7-21.6 Violated in 0 structures by 0.00 A. Peak 6092 from cnoeabs.peaks (2.95, 0.94, 22.13 ppm; 5.29 A): 2 out of 7 assignments used, quality = 0.84: HE2 LYS 73 + QG2 VAL 41 OK 66 100 70 95 4.8-7.0 6.1/5402=47, 6091/2.1=36...(12) HE3 LYS 73 + QG2 VAL 41 OK 52 100 55 95 4.7-6.9 6.1/5402=47, 6091/2.1=35...(12) HE3 LYS 75 - QG2 VAL 41 far 0 99 0 - 7.1-13.0 HE2 LYS 75 - QG2 VAL 41 far 0 99 0 - 7.5-13.1 HE3 LYS 39 - QG2 VAL 41 far 0 71 0 - 7.7-9.3 HE2 LYS 39 - QG2 VAL 41 far 0 76 0 - 7.8-9.1 HB3 TYR 81 - QG2 VAL 41 far 0 71 0 - 9.4-23.4 Violated in 8 structures by 0.06 A. Peak 6093 from cnoeabs.peaks (1.54, 0.62, 23.89 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.99: HB3 ARG 54 + QD1 LEU 51 OK 95 100 95 100 3.6-5.1 5220/2245=59...(12) HG2 LYS 39 + QD1 LEU 51 OK 79 100 80 98 2.5-5.3 6087/2.1=40...(16) HG LEU 62 - QD1 LEU 51 far 0 81 0 - 6.6-9.3 HG LEU 64 - QD1 LEU 51 far 0 100 0 - 8.9-11.1 Violated in 1 structures by 0.00 A. Peak 6094 from cnoeabs.peaks (1.40, 0.62, 23.89 ppm; 5.45 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 39 + QD1 LEU 51 OK 100 100 100 100 2.3-4.8 ~6087=61, 2.9/5203=59...(18) QB ALA 53 + QD1 LEU 51 OK 52 99 60 88 5.9-6.7 5732/4946=55...(5) HG2 LYS 13 - QD1 LEU 51 far 0 73 0 - 7.3-25.7 HG3 ARG 69 - QD1 LEU 51 far 0 76 0 - 7.7-11.2 HB3 ARG 69 - QD1 LEU 51 far 0 100 0 - 8.1-10.3 QB ALA 20 - QD1 LEU 51 far 0 78 0 - 9.8-17.7 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 3.2-4.3 2.2/4527=88...(13) Violated in 0 structures by 0.00 A. Peak 6096 from cnoeabs.peaks (6.65, 0.51, 22.90 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD2 LEU 52 OK 100 100 100 100 4.9-6.1 2.2/4581=98...(7) Violated in 19 structures by 0.44 A. Peak 6097 from cnoeabs.peaks (0.98, 1.33, 40.92 ppm; 6.21 A): 1 out of 5 assignments used, quality = 0.87: QD1 LEU 57 + HB2 LEU 52 OK 87 87 100 100 2.5-4.1 4554/3.1=100...(13) QD1 LEU 57 - HB2 LEU 51 poor 11 47 100 24 4.3-6.1 5177/3.1=22 QG1 VAL 45 - HB2 LEU 51 far 0 58 0 - 8.8-9.6 QD1 LEU 64 - HB2 LEU 52 far 0 76 0 - 8.9-11.2 QD1 LEU 64 - HB2 LEU 51 far 0 39 0 - 9.1-13.4 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 3.9-5.3 4986/1.8=98, 4613/3.1=94...(12) QG1 VAL 45 - HB3 LEU 52 far 0 100 0 - 8.8-9.8 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 = 0.90: H ALA 63 + HA GLU 59 OK 90 90 100 99 3.9-4.5 256/4678=66, 257/4638=65...(6) 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 2.9-3.5 3.6/4625=77, 6101/1.8=76...(9) HB THR 58 + HB2 GLN 61 OK 94 96 100 99 4.7-5.7 2.1/4627=79, 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 3.6-4.4 3.6/4624=75, 4.0/4985=65...(9) HB THR 58 - HB3 GLN 61 far 0 90 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 6102 from cnoeabs.peaks (1.92, 0.95, 23.35 ppm; 3.40 A): 3 out of 7 assignments used, quality = 0.97: HG13 ILE 68 + QD1 LEU 64 OK 91 100 100 91 2.0-3.4 ~4759=35, ~5242=34...(13) HB2 MET 31 + QD1 LEU 64 OK 59 93 65 97 3.6-5.3 6121/2.1=56, 3.0/5310=36...(12) HB ILE 68 + QD1 LEU 64 OK 21 71 40 76 3.8-5.5 3.9/6134=29, ~4759=23...(10) HG12 ILE 40 - QD1 LEU 64 far 0 89 0 - 4.3-8.5 HB3 ARG 66 - QD1 LEU 64 far 0 83 0 - 6.4-8.2 HB2 GLU 19 - QD1 LEU 64 far 0 96 0 - 9.2-15.6 HB VAL 41 - QD1 LEU 64 far 0 99 0 - 9.6-11.5 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 = 0.91: HB2 MET 31 + QD2 LEU 64 OK 87 87 100 100 2.1-3.0 6121=77, 1.8/4845=49...(18) HG13 ILE 68 + QD2 LEU 64 OK 31 99 35 88 3.6-5.9 ~4759=38, 6102/2.1=38...(10) HB ILE 68 - QD2 LEU 64 far 0 81 0 - 4.5-6.6 HG12 ILE 40 - QD2 LEU 64 far 0 95 0 - 6.0-8.0 HB3 ARG 66 - QD2 LEU 64 far 0 73 0 - 7.3-8.6 HB2 GLU 19 - QD2 LEU 64 far 0 99 0 - 9.1-16.9 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 2.7-4.3 4568/5031=69...(15) 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 5 assignments used, quality = 1.00: HG3 ARG 66 + QG2 VAL 65 OK 91 92 100 99 4.4-5.8 744/4.1=73, 4.1/5244=71...(10) HB3 LEU 64 + QG2 VAL 65 OK 89 89 100 100 4.6-6.1 3.1/5965=91, 4.4/2669=82...(18) HB3 GLN 61 + QG2 VAL 65 OK 75 81 100 93 2.9-4.1 4222/4725=46...(10) HG2 ARG 70 - QG2 VAL 65 far 0 63 0 - 8.3-11.3 HG LEU 29 - QG2 VAL 65 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 6106 from cnoeabs.peaks (1.68, 1.23, 22.65 ppm; 5.30 A): 2 out of 4 assignments used, quality = 0.98: HG3 ARG 66 + QG1 VAL 65 OK 94 96 100 99 3.1-5.8 744/4.1=73, 5970/5314=49...(11) HB3 GLN 61 + QG1 VAL 65 OK 64 73 100 87 5.3-6.1 4222/4729=41...(9) HB3 LEU 64 - QG1 VAL 65 far 0 93 0 - 6.3-6.9 HG2 ARG 70 - QG1 VAL 65 far 0 71 0 - 6.9-10.0 Violated in 0 structures by 0.00 A. Peak 6107 from cnoeabs.peaks (4.47, 3.21, 43.49 ppm; 5.27 A): 2 out of 11 assignments used, quality = 0.98: HA ASP 67 + HD2 ARG 70 OK 87 98 90 98 2.2-7.0 5049/3.0=80, 5050/3.0=49...(11) HA ASP 67 + HD3 ARG 70 OK 87 98 90 98 2.4-7.0 5049/3.0=80, 5050/3.0=49...(11) HA ASP 67 - HD3 ARG 71 poor 19 55 65 53 5.2-7.7 5838/5.8=34, 5050/3.0=27 HA ASP 24 - HD3 ARG 71 poor 17 43 40 - 4.0-10.7 HA ASP 67 - HD2 ARG 66 poor 17 84 20 - 3.8-8.0 HA ASP 67 - HD3 ARG 66 poor 16 81 20 - 4.9-8.0 HA SER 22 - HD3 ARG 71 far 0 42 0 - 7.3-16.8 HA ASP 24 - HD3 ARG 70 far 0 85 0 - 7.5-15.1 HA ASP 24 - HD2 ARG 70 far 0 85 0 - 8.8-15.2 HA TYR 81 - HD2 ARG 70 far 0 99 0 - 8.9-22.8 HA TYR 81 - HD3 ARG 70 far 0 99 0 - 9.9-23.0 Violated in 3 structures by 0.07 A. Peak 6108 from cnoeabs.peaks (1.91, 3.96, 46.02 ppm; 5.20 A): 1 out of 5 assignments used, quality = 0.85: HB VAL 41 + HA2 GLY 72 OK 85 85 100 100 3.1-5.4 2.1/4339=94, 2.1/4796=93...(14) HB ILE 68 - HA2 GLY 72 far 14 93 15 - 5.6-7.7 HG13 ILE 68 - HA2 GLY 72 far 0 95 0 - 6.9-9.2 HG12 ILE 40 - HA2 GLY 72 far 0 99 0 - 7.2-9.8 HB2 GLU 19 - HA2 GLY 72 far 0 100 0 - 8.5-21.2 Violated in 1 structures by 0.01 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 2.3-4.2 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 2 assignments used, quality = 0.98: HG2 MET 11 + HA MET 11 OK 98 98 100 100 2.5-4.2 3.7=100 HB2 PRO 44 - HA MET 11 far 0 78 0 - 9.0-47.8 Violated in 0 structures by 0.00 A. Peak 6114 from cnoeabs.peaks (3.95, 1.38, 18.75 ppm; 3.83 A): 3 out of 35 assignments used, quality = 0.98: HA VAL 76 + QB ALA 77 OK 79 90 90 98 3.9-4.8 349/2.9=63, 5435=39...(15) HA2 GLY 21 + QB ALA 20 OK 73 100 100 73 3.6-4.4 4.8=49, 5494/2.1=20...(6) HA3 GLY 21 + QB ALA 20 OK 73 100 100 73 3.7-4.5 4.8=49, 5494/2.1=21...(6) HA VAL 76 - QB ALA 78 far 8 83 10 - 4.1-7.3 HA2 GLY 72 - QB ALA 20 far 5 97 5 - 4.2-16.7 HA LYS 32 - QB ALA 16 far 5 31 15 - 2.6-19.0 HA3 GLY 18 - QB ALA 20 far 4 76 5 - 4.4-7.4 HA3 GLY 18 - QB ALA 77 far 4 75 5 - 2.6-31.5 HA2 GLY 18 - QB ALA 20 far 4 73 5 - 3.6-7.4 HA2 GLY 18 - QB ALA 77 far 4 73 5 - 2.1-31.0 HA3 GLY 18 - QB ALA 78 far 3 69 5 - 2.6-34.1 HA2 GLY 18 - QB ALA 78 far 3 66 5 - 3.7-33.7 HA3 GLY 18 - QB ALA 16 far 2 34 5 - 4.4-7.5 HA2 GLY 18 - QB ALA 16 far 2 33 5 - 4.4-8.0 HA VAL 76 - QB ALA 20 far 0 90 0 - 4.8-26.1 HA THR 37 - QB ALA 20 far 0 90 0 - 4.9-14.9 HA3 GLY 21 - QB ALA 77 far 0 100 0 - 5.1-26.0 HA ARG 66 - QB ALA 77 far 0 70 0 - 5.5-17.4 HA2 GLY 72 - QB ALA 77 far 0 96 0 - 6.2-15.1 HA2 GLY 21 - QB ALA 77 far 0 100 0 - 6.2-25.0 HA ALA 28 - QB ALA 16 far 0 52 0 - 6.5-17.8 HA ARG 66 - QB ALA 78 far 0 64 0 - 6.7-18.8 HA2 GLY 21 - QB ALA 16 far 0 54 0 - 6.7-15.0 HA ALA 28 - QB ALA 20 far 0 99 0 - 7.1-13.9 HA3 GLY 21 - QB ALA 16 far 0 54 0 - 7.4-14.7 HA2 GLY 72 - QB ALA 78 far 0 90 0 - 7.9-17.3 HA THR 37 - QB ALA 16 far 0 44 0 - 8.1-17.6 HA3 GLY 21 - QB ALA 78 far 0 96 0 - 8.7-25.7 HA LYS 32 - QB ALA 20 far 0 71 0 - 9.1-16.8 HA THR 37 - QB ALA 77 far 0 90 0 - 9.3-21.0 HA LEU 62 - QB ALA 77 far 0 62 0 - 9.4-21.3 HA GLN 61 - QB ALA 16 far 0 47 0 - 9.4-23.3 HA GLU 50 - QB ALA 77 far 0 95 0 - 9.7-26.3 HA2 GLY 21 - QB ALA 78 far 0 96 0 - 9.8-26.0 HA THR 37 - QB ALA 78 far 0 83 0 - 10.0-23.2 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 2.9-4.7 1.8/5305=79, 1542/3.6=67...(11) HG2 GLN 61 - QB ALA 30 far 0 76 0 - 8.0-10.4 Violated in 3 structures by 0.01 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 - 6.9-7.5 Violated in 20 structures by 2.57 A. Peak 6118 from cnoeabs.peaks (4.12, 2.63, 32.57 ppm; 5.28 A): 2 out of 4 assignments used, quality = 0.98: HA ARG 27 + HG2 MET 31 OK 94 100 100 94 3.2-4.6 4807/6116=74...(4) HA ALA 30 + HG2 MET 31 OK 62 83 75 100 5.1-6.7 2.1/6116=89, 3.6/1542=81...(8) HA GLU 25 - HG2 MET 31 far 0 65 0 - 7.8-10.0 HA ARG 23 - HG2 MET 31 far 0 97 0 - 9.7-12.6 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 2.4-3.3 6122/6121=80...(16) QD2 LEU 57 - HB2 MET 31 far 10 100 10 - 5.7-6.8 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 2.1-3.0 6103=63, 4845/1.8=54...(18) QD2 LEU 29 - HB2 MET 31 far 0 99 0 - 6.0-7.4 QG2 ILE 68 - HB2 MET 31 far 0 60 0 - 7.5-9.1 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 1.8-2.4 4853/2.1=45...(24) QG2 ILE 68 - QD1 ILE 33 far 0 68 0 - 5.6-7.1 QD2 LEU 29 - QD1 ILE 33 far 0 97 0 - 6.0-8.0 QD1 LEU 43 - QD1 ILE 33 far 0 100 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 6123 from cnoeabs.peaks (8.06, 1.78, 30.55 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.86: H ARG 82 + HB3 ARG 82 OK 81 81 100 100 2.3-3.8 4.0=100 H TYR 81 + HB3 ARG 82 OK 27 83 45 72 3.4-7.1 4.5/4683=46, 3.9/5887=42...(4) H ARG 82 - HB3 ARG 84 far 6 60 10 - 5.1-10.3 H TYR 81 - HB3 ARG 84 far 0 63 0 - 7.8-13.4 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 4291/1.8=90, 4290/2.3=80...(10) 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 = 0.97: QB ALA 28 + QG2 THR 37 OK 97 100 100 97 2.0-3.5 5532=85, 4181/4162=39...(13) QB ALA 16 - QG2 THR 37 far 0 76 0 - 7.1-14.1 HG3 LYS 32 - QG2 THR 37 far 0 99 0 - 9.8-12.6 Violated in 13 structures by 0.06 A. Peak 6129 from cnoeabs.peaks (2.66, 1.72, 42.41 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.94: HB2 ASP 47 + HB2 LEU 43 OK 94 99 95 100 3.9-6.2 4442/1.8=91, 1.8/4381=86...(18) HB3 ASN 49 - HB2 LEU 43 far 0 87 0 - 9.4-10.4 Violated in 12 structures by 0.33 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 3.9-5.0 4631=98, 687/4581=71...(9) Violated in 2 structures by 0.01 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 4.9-5.6 3.0/4587=74, 3.0/4604=74...(17) Violated in 19 structures by 0.38 A. Peak 6133 from cnoeabs.peaks (6.83, 3.96, 59.12 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.95: HE22 GLN 61 + HA GLN 61 OK 95 95 100 100 4.1-5.6 5.7=91, 3.5/2529=84...(13) HD21 ASN 49 - HA GLU 50 far 9 63 15 - 4.8-7.9 QE TYR 55 - HA GLU 50 far 0 78 0 - 7.6-8.6 Violated in 2 structures by 0.00 A. Peak 6134 from cnoeabs.peaks (8.43, 0.95, 23.35 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: H ILE 68 + QD1 LEU 64 OK 98 99 100 99 3.5-4.9 6135/2648=59...(9) Violated in 4 structures by 0.04 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 4.0-4.9 5810=88, 284/4737=70...(8) Violated in 1 structures by 0.01 A. Peak 6136 from cnoeabs.peaks (8.10, 3.20, 43.10 ppm; 4.89 A): 5 out of 15 assignments used, quality = 1.00: H ARG 71 + HD3 ARG 71 OK 100 100 100 100 4.1-5.0 779/3.0=88, 2920/3.0=62...(13) H ARG 71 + HD3 ARG 70 OK 49 58 85 100 4.3-5.9 307/3.0=81, 305/3.5=44...(16) H ARG 71 + HD2 ARG 70 OK 46 57 80 100 4.5-6.2 307/3.0=81, 305/3.5=44...(16) H ARG 26 + HD3 ARG 26 OK 35 35 100 99 3.9-5.0 6.1=52, 529/3.0=43...(19) H ARG 26 + HD2 ARG 26 OK 34 34 100 99 4.4-5.2 6.1=52, 529/3.0=43...(20) H LYS 75 - HD2 ARG 70 far 0 53 0 - 5.8-11.4 H LYS 75 - HD3 ARG 70 far 0 54 0 - 6.8-11.7 H LYS 75 - HD3 ARG 71 far 0 97 0 - 7.0-12.7 H ARG 26 - HD3 ARG 71 far 0 60 0 - 7.6-15.3 H ARG 71 - HD2 ARG 66 far 0 56 0 - 7.9-12.1 H LYS 85 - HD2 ARG 66 far 0 56 0 - 8.2-34.3 H ARG 71 - HD3 ARG 66 far 0 54 0 - 8.4-11.6 H LYS 85 - HD3 ARG 66 far 0 54 0 - 9.1-34.7 H THR 88 - HD3 ARG 66 far 0 26 0 - 9.4-43.4 H THR 88 - HD2 ARG 66 far 0 27 0 - 9.7-43.1 Violated in 0 structures by 0.00 A. Peak 6137 from cnoeabs.peaks (8.11, 3.14, 43.10 ppm; 4.79 A): 3 out of 16 assignments used, quality = 1.00: H ARG 71 + HD2 ARG 71 OK 100 100 100 100 3.1-4.9 779/3.0=86, 2.9/2937=79...(14) H LYS 85 + HD2 ARG 84 OK 60 99 70 87 2.8-6.7 377/5.1=48, 378/3.5=37...(6) H LYS 85 + HD3 ARG 84 OK 43 98 50 87 3.3-6.6 377/5.1=48, 378/3.5=37...(6) H ARG 26 - HD3 ARG 27 poor 7 37 20 - 5.2-8.3 H LYS 85 - HD2 ARG 82 far 5 96 5 - 5.5-13.1 H LYS 75 - HD2 ARG 71 far 5 90 5 - 5.5-12.5 H ARG 26 - HD3 ARG 23 far 4 45 10 - 5.1-8.7 H ARG 26 - HD2 ARG 27 far 0 37 0 - 5.9-7.8 H ARG 26 - HD2 ARG 23 far 0 45 0 - 6.0-8.4 H ARG 26 - HD2 ARG 71 far 0 73 0 - 8.1-14.6 H ARG 71 - HD2 ARG 27 far 0 60 0 - 8.4-13.8 H ARG 71 - HD2 ARG 23 far 0 71 0 - 9.0-16.2 H THR 88 - HD3 ARG 84 far 0 69 0 - 9.0-15.7 H ARG 71 - HD3 ARG 27 far 0 60 0 - 9.4-14.2 H THR 88 - HD2 ARG 84 far 0 71 0 - 9.7-14.9 H ARG 71 - HD3 ARG 23 far 0 71 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 6140 from cnoeabs.peaks (1.75, 6.79, 117.91 ppm; 5.20 A): 3 out of 13 assignments used, quality = 0.87: HG2 PRO 34 + QE TYR 55 OK 60 60 100 100 3.9-5.7 4246/2.2=84, ~5565=62...(17) HB2 ARG 54 + QE TYR 55 OK 53 53 100 100 2.8-3.7 ~4634=78, 1.8/4970=76...(20) HB2 PRO 34 + QE TYR 55 OK 30 30 100 100 2.0-4.7 ~4666=69, 1.8/5291=65...(17) HB3 ARG 82 - QE TYR 81 poor 18 88 20 - 3.3-6.7 HB2 ARG 84 - QE TYR 81 far 4 73 5 - 5.9-14.3 HB2 LEU 43 - QE TYR 81 far 0 68 0 - 6.8-27.6 HB2 LEU 57 - QE TYR 55 far 0 51 0 - 7.3-8.7 HB ILE 33 - QE TYR 55 far 0 48 0 - 7.6-8.6 HB2 LEU 43 - QE TYR 55 far 0 38 0 - 7.9-9.2 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 8.8-21.1 HB3 LYS 32 - QE TYR 55 far 0 40 0 - 9.5-11.4 HB2 LYS 32 - QE TYR 55 far 0 40 0 - 9.5-11.7 HB3 LYS 85 - QE TYR 81 far 0 63 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 6141 from cnoeabs.peaks (1.39, 6.79, 117.91 ppm; 5.89 A): 1 out of 9 assignments used, quality = 0.68: QB ALA 78 + QE TYR 81 OK 68 99 70 98 2.0-10.8 4685/2.2=88, ~6048=71...(5) HG2 LYS 83 - QE TYR 81 far 12 80 15 - 3.0-12.3 HG3 LYS 39 - QE TYR 55 poor 10 53 50 38 5.7-7.4 6094/4533=36 QB ALA 77 - QE TYR 81 poor 7 92 35 22 4.2-12.8 4.9/6008=18, 5446/4678=2 HG3 LYS 39 - QE TYR 81 far 4 88 5 - 5.9-30.0 QB ALA 16 - QE TYR 55 far 2 32 5 - 6.0-18.4 QB ALA 53 - QE TYR 55 far 0 64 0 - 6.9-7.6 HG2 LYS 75 - QE TYR 81 far 0 99 0 - 8.6-21.3 HG3 LYS 75 - QE TYR 81 far 0 99 0 - 9.0-20.8 Violated in 7 structures by 1.05 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 12 assignments used, quality = 1.00: HG2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.2-4.2 3.7=100 QB ALA 20 + HA GLU 19 OK 73 89 90 92 3.7-5.0 4.5=70, 2.9/27=33...(8) HG2 LYS 85 + HA LYS 85 OK 70 70 100 100 2.1-4.2 3.8=100 HG2 LYS 85 - HA LYS 83 far 5 99 5 - 4.7-10.0 QB ALA 77 - HA GLU 19 far 4 90 5 - 4.5-27.9 QB ALA 16 - HA GLU 19 far 4 87 5 - 4.7-9.2 HG2 LYS 83 - HA LYS 85 far 4 73 5 - 4.5-9.1 QB ALA 78 - HA GLU 19 far 0 75 0 - 5.6-30.4 QB ALA 78 - HA LYS 83 far 0 87 0 - 6.7-14.0 QB ALA 77 - HA LYS 83 far 0 99 0 - 8.4-17.5 QB ALA 53 - HA LYS 85 far 0 48 0 - 9.7-38.5 HG3 LYS 75 - HA GLU 19 far 0 71 0 - 9.8-32.6 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 8 assignments used, quality = 1.00: HA LYS 83 + HG2 LYS 83 OK 96 96 100 100 2.2-4.2 3.7=100 HA LYS 85 + HG2 LYS 85 OK 91 91 100 99 2.1-4.2 3.8=97, 385/4.7=42...(9) HA LYS 85 - HG2 LYS 83 far 5 100 5 - 4.5-9.1 HA ALA 77 - HG3 LYS 73 far 4 79 5 - 4.7-15.7 HA LYS 75 - HG3 LYS 73 far 3 70 5 - 4.6-9.1 HA LYS 83 - HG2 LYS 85 far 0 84 0 - 4.7-10.0 HA ALA 78 - HG3 LYS 73 far 0 49 0 - 6.9-17.7 HA ALA 78 - HG2 LYS 83 far 0 71 0 - 7.7-18.1 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 5 assignments used, quality = 0.96: HE2 LYS 73 + HG3 LYS 73 OK 79 79 100 100 2.6-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 79 79 100 100 2.4-4.1 3.7=100 HE2 LYS 75 - HG3 LYS 73 poor 15 75 20 - 3.0-12.9 HE3 LYS 75 - HG3 LYS 73 far 8 76 10 - 2.2-12.2 HB3 TYR 81 - HG2 LYS 83 far 3 68 5 - 3.9-11.4 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): 4 out of 25 assignments used, quality = 0.99: H ARG 84 + HD3 ARG 84 OK 85 86 100 99 3.2-5.9 6.2=55, 843/3.5=43...(15) H ARG 84 + HD2 ARG 84 OK 83 88 95 99 2.5-6.1 6.2=55, 843/3.5=43...(15) H ALA 28 + HD2 ARG 27 OK 46 60 80 96 5.2-6.5 71/3.5=43, 70/3.5=42...(10) H ALA 28 + HD3 ARG 27 OK 37 60 65 96 5.1-6.6 71/3.5=43, 70/3.5=42...(10) H GLU 25 - HD2 ARG 27 far 5 51 10 - 5.5-8.7 H GLN 79 - HD2 ARG 82 far 5 96 5 - 5.0-14.7 H GLU 25 - HD2 ARG 71 far 5 93 5 - 5.8-13.5 H THR 15 - HD2 ARG 17 far 4 76 5 - 4.6-10.6 H THR 15 - HD3 ARG 17 far 4 76 5 - 5.0-10.6 H SER 22 - HD3 ARG 23 far 3 70 5 - 5.7-9.8 H GLU 25 - HD3 ARG 23 far 3 61 5 - 5.9-8.4 H ARG 84 - HD2 ARG 82 lone 1 83 30 3 3.8-10.4 H GLU 25 - HD3 ARG 27 far 0 51 0 - 6.0-8.8 H GLU 25 - HD2 ARG 23 far 0 61 0 - 6.0-8.2 H SER 22 - HD2 ARG 23 far 0 70 0 - 6.1-10.0 H ALA 77 - HD2 ARG 71 far 0 97 0 - 6.3-16.3 H SER 22 - HD2 ARG 71 far 0 100 0 - 7.3-17.0 H ALA 28 - HD3 ARG 23 far 0 71 0 - 7.9-12.1 H ALA 28 - HD2 ARG 71 far 0 100 0 - 7.9-14.0 H ALA 77 - HD2 ARG 82 far 0 90 0 - 8.4-20.7 H ALA 28 - HD2 ARG 23 far 0 71 0 - 8.6-11.8 H ALA 77 - HD2 ARG 23 far 0 65 0 - 9.1-26.2 H SER 22 - HD3 ARG 27 far 0 59 0 - 9.1-12.3 H GLN 79 - HD2 ARG 71 far 0 100 0 - 9.2-23.5 H SER 22 - HD2 ARG 27 far 0 59 0 - 9.3-12.5 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 1 assignment used, quality = 0.00: HB2 LEU 57 - HG12 ILE 89 far 0 100 0 - 9.7-52.9 Violated in 20 structures by 34.81 A. Peak 6150 from cnoeabs.peaks (1.57, 0.81, 12.45 ppm; 4.86 A): 0 out of 5 assignments used, quality = 0.00: HB3 LEU 86 - QD1 ILE 89 far 0 99 0 - 6.6-11.9 HG LEU 86 - QD1 ILE 89 far 0 65 0 - 7.3-12.6 HG2 ARG 84 - QD1 ILE 89 far 0 78 0 - 8.7-18.5 HG3 ARG 84 - QD1 ILE 89 far 0 78 0 - 8.7-18.0 HB3 LEU 62 - QD1 ILE 89 far 0 89 0 - 9.8-42.1 Violated in 20 structures by 2.82 A. Peak 6153 from cnoeabs.peaks (8.15, 4.08, 58.40 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.97: H ARG 26 + HA GLU 25 OK 67 70 100 97 3.4-3.6 3.6=85, 904/2.9=36...(9) H ARG 26 + HA ARG 26 OK 67 67 100 100 2.8-2.9 3.0=100 H ARG 27 + HA ARG 26 OK 53 56 100 95 3.4-3.6 3.6=84, 5380/3.0=39...(9) H ARG 27 + HA GLU 25 OK 37 58 95 68 3.7-4.9 5380/3.6=33, 61=20...(7) H ASN 74 - HA ARG 71 poor 11 100 20 56 3.5-8.0 4.0/16010=25...(5) H ALA 78 - HA ARG 71 far 0 100 0 - 6.5-17.6 H ARG 26 - HA ARG 71 far 0 81 0 - 9.4-15.9 H ARG 27 - HA ARG 71 far 0 68 0 - 10.0-14.5 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; 3.66 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 35 + HZ PHE 35 OK 99 100 100 99 3.8-3.8 3.8=89, 4567/4596=30...(22) QD PHE 35 - HZ PHE 48 far 0 94 0 - 8.0-9.1 Violated in 20 structures by 0.14 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 2.4-2.4 2.6=100 HB3 PHE 48 - QD PHE 35 far 0 91 0 - 7.8-10.0 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 - 8.0-9.1 HD22 ASN 42 - QD PHE 35 far 0 99 0 - 9.7-10.6 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 - 4.3-5.3 HZ PHE 35 - QE PHE 48 far 0 100 0 - 5.1-6.2 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 2 assignments used, quality = 1.00: * QD PHE 48 + QE PHE 48 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 81 - QE PHE 48 far 0 92 0 - 8.9-19.2 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 - 5.1-6.2 Violated in 0 structures by 0.00 A. Peak 4546 from anoeabs.peaks (7.06, 6.95, 128.89 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.85: * QD PHE 48 + HZ PHE 48 OK 85 100 100 85 3.8-3.8 3.8=55, 4959/4619=27...(11) QD PHE 48 - HZ PHE 35 far 0 93 0 - 5.9-6.9 Violated in 20 structures by 0.69 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 2.4-3.0 3.7=100 HD2 PRO 44 - QD PHE 48 far 0 65 0 - 6.3-7.7 HA ARG 70 - QD PHE 48 far 0 97 0 - 7.3-9.5 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 2.3-2.6 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): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 48 + QD PHE 48 OK 99 99 100 100 2.3-2.6 2.5=100 HB2 ASN 49 + QD PHE 48 OK 61 77 95 84 3.3-4.9 4.0/180=45, 3.0/4492=32...(7) HB2 PHE 35 - QD PHE 48 far 0 75 0 - 7.5-8.6 HB2 ASP 67 - QD PHE 48 far 0 77 0 - 9.5-10.4 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 5 100 5 - 5.0-5.8 HZ PHE 35 - QD PHE 48 far 0 100 0 - 5.9-6.9 HD22 ASN 42 - QD PHE 48 far 0 97 0 - 9.7-10.5 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 2 assignments used, quality = 1.00: * QD TYR 55 + QE TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 55 - QE TYR 81 far 0 65 0 - 9.9-27.8 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 2.6-3.1 3.7=79, 3.0/687=54...(12) 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 2.3-2.6 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 4 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.6 2.5=100 HB3 PHE 35 - QD TYR 55 far 3 60 5 - 3.8-5.4 HE3 LYS 32 - QD TYR 55 far 0 92 0 - 9.5-13.4 HE2 LYS 32 - QD TYR 55 far 0 93 0 - 9.6-13.7 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 3 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 - 6.3-8.5 QE TYR 81 - QD TYR 55 far 0 65 0 - 9.9-27.8 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): 2 out of 6 assignments used, quality = 0.99: HB3 PRO 34 + QD PHE 35 OK 96 96 100 99 2.8-4.2 2.3/4243=51, 3.0/4649=45...(19) HG12 ILE 40 + QD PHE 35 OK 78 82 95 100 2.6-5.0 2.1/4318=53, 1.8/4562=49...(20) HB2 LYS 39 - QD PHE 35 poor 14 57 25 - 2.5-5.3 HB ILE 68 - QD PHE 35 far 0 95 0 - 6.7-7.7 HB3 PRO 14 - QD PHE 35 far 0 100 0 - 7.8-22.4 HB2 GLU 19 - QD PHE 35 far 0 70 0 - 8.0-18.6 Violated in 1 structures by 0.01 A. Peak 4561 from anoeabs.peaks (1.76, 6.65, 132.79 ppm; 3.56 A): 2 out of 10 assignments used, quality = 1.00: HG2 PRO 34 + QD PHE 35 OK 100 100 100 100 3.6-3.8 1.8/4243=53, 2.3/4649=50...(25) HB2 PRO 34 + QD PHE 35 OK 75 75 100 100 2.7-4.1 2.3/4243=49, 3.0/4649=44...(25) HB3 LYS 39 - QD PHE 35 far 10 68 15 - 2.7-5.9 HB ILE 33 - QD PHE 35 far 0 95 0 - 4.6-5.1 HB2 ARG 54 - QD PHE 35 far 0 98 0 - 5.7-7.5 HB2 LEU 57 - QD PHE 35 far 0 97 0 - 6.7-7.4 HB3 ARG 17 - QD PHE 35 far 0 94 0 - 8.1-20.6 HB2 LYS 32 - QD PHE 35 far 0 88 0 - 8.2-9.7 HB3 LYS 32 - QD PHE 35 far 0 88 0 - 8.4-9.1 HB2 LEU 62 - QD PHE 35 far 0 97 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4562 from anoeabs.peaks (1.20, 6.65, 132.79 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.75: HG13 ILE 40 + QD PHE 35 OK 62 62 100 99 2.7-3.7 2.1/4318=49, 1.8/4322=37...(20) QG1 VAL 65 + QD PHE 35 OK 34 60 65 87 4.0-6.1 5031=20, 4576/2.2=20...(16) QG2 VAL 65 - QD PHE 35 far 15 98 15 - 4.1-5.2 HG13 ILE 33 - QD PHE 35 far 0 90 0 - 5.3-5.6 HG LEU 52 - QD PHE 35 far 0 98 0 - 7.2-8.5 QG2 THR 15 - QD PHE 35 far 0 95 0 - 8.3-17.4 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 98 99 100 99 2.8-3.7 4318=40, 2.1/4562=35...(23) HG3 PRO 34 + QD PHE 35 OK 85 86 100 99 1.9-2.0 2.3/4649=37, 4243=35...(24) 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 4 assignments used, quality = 0.60: HG LEU 51 + QD PHE 35 OK 60 100 60 100 3.6-5.3 2.1/4568=80, 2.1/4534=75...(17) QD1 LEU 62 - QD PHE 35 far 0 78 0 - 7.5-8.7 HG12 ILE 68 - QD PHE 35 far 0 70 0 - 7.7-9.4 QD1 LEU 29 - QD PHE 35 far 0 90 0 - 9.5-11.3 Violated in 18 structures by 0.74 A. Peak 4565 from anoeabs.peaks (0.70, 6.65, 132.79 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + QD PHE 35 OK 99 100 100 100 4.6-5.0 3.2/4567=68, 4579/2.2=43...(18) QD2 LEU 57 + QD PHE 35 OK 98 98 100 100 3.7-4.4 5742=56, 4636/4629=54...(25) 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 2.7-2.8 4583/2.2=67, 4.1/4649=37...(21) 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 2.7-3.7 2.1/4534=64, 4584/2.2=62...(25) Violated in 2 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 4.0-5.1 2287/4581=73...(11) HD2 PRO 14 - QE PHE 35 far 0 95 0 - 9.8-24.8 Violated in 18 structures by 0.41 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 3.0-4.4 2.5/4628=87, 1.8/4572=87...(19) HB3 PHE 35 + QE PHE 35 OK 60 60 100 100 4.4-4.4 4.5=100 HE2 LYS 32 - QE PHE 35 far 0 93 0 - 9.6-12.7 HE3 LYS 32 - QE PHE 35 far 0 92 0 - 9.6-12.7 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 2.9-3.6 2.5/4628=79, ~5716=50...(19) Violated in 0 structures by 0.00 A. Peak 4573 from anoeabs.peaks (1.89, 6.94, 130.03 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.99: HG12 ILE 40 + QE PHE 35 OK 93 93 100 100 2.0-4.1 4322/2.2=54, 1.8/4319=53...(22) HB3 PRO 34 + QE PHE 35 OK 89 89 100 100 4.3-5.1 3.0/4687=56, 4560/2.2=46...(24) HB ILE 68 - QE PHE 35 far 0 99 0 - 5.2-6.2 HB3 PRO 14 - QE PHE 35 far 0 100 0 - 8.9-23.7 HB2 ARG 66 - QE PHE 35 far 0 92 0 - 9.1-10.0 HB2 GLU 19 - QE PHE 35 far 0 85 0 - 9.5-19.3 Violated in 0 structures by 0.00 A. Peak 4574 from anoeabs.peaks (1.76, 6.94, 130.03 ppm; 4.52 A): 4 out of 11 assignments used, quality = 1.00: HG2 PRO 34 + QE PHE 35 OK 100 100 100 100 3.4-3.5 4242/2.2=71, 2.3/4687=70...(31) HB2 LEU 57 + QE PHE 35 OK 99 99 100 100 4.6-5.3 3.0/4688=66, ~4591=45...(18) HB ILE 33 + QE PHE 35 OK 99 99 100 100 4.9-5.2 2.1/4583=90, ~4567=58...(22) HB2 PRO 34 + QE PHE 35 OK 85 85 100 100 4.2-5.0 5707/2.2=64, 3.0/4687=63...(29) HB3 LYS 39 - QE PHE 35 far 12 78 15 - 3.9-7.6 HB2 ARG 54 - QE PHE 35 far 0 100 0 - 5.8-7.1 HB2 LEU 62 - QE PHE 35 far 0 93 0 - 7.3-8.4 HB2 LYS 32 - QE PHE 35 far 0 95 0 - 7.6-9.5 HB3 LYS 32 - QE PHE 35 far 0 95 0 - 8.4-9.4 HB3 ARG 17 - QE PHE 35 far 0 89 0 - 9.8-21.4 HG3 ARG 71 - QE PHE 35 far 0 98 0 - 9.9-12.3 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 95 99 100 96 2.3-3.5 4717=36, 4726/4581=31...(25) HG13 ILE 40 + QE PHE 35 OK 64 65 100 98 2.1-3.9 4562/2.2=33, 2.1/4577=31...(22) QG1 VAL 65 + QE PHE 35 OK 55 63 95 93 2.0-4.3 2.1/4717=28, 4590/2.2=20...(24) HG13 ILE 33 - QE PHE 35 far 0 92 0 - 4.5-5.0 HG LEU 52 - QE PHE 35 far 0 98 0 - 5.8-7.1 QG2 THR 15 - QE PHE 35 far 0 95 0 - 9.5-18.9 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 1.9-2.4 4318/2.2=33, 4317=26...(28) QD1 LEU 57 + QE PHE 35 OK 85 87 100 98 1.9-2.5 2.1/4688=35, 2.1/4579=28...(24) 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 3.2-4.7 3.2/5121=43, 4324=41...(27) HG LEU 51 + QE PHE 35 OK 78 78 100 100 3.8-4.6 2.1/4584=70, 2.1/4580=65...(15) QD2 LEU 62 - QE PHE 35 far 0 90 0 - 6.7-7.2 HG12 ILE 68 - QE PHE 35 far 0 99 0 - 6.7-8.3 QG2 VAL 41 - QE PHE 35 far 0 81 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 4579 from anoeabs.peaks (0.70, 6.94, 130.03 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + QE PHE 35 OK 98 99 100 100 1.9-2.9 2.1/4688=45, 2.1/4577=37...(27) QD1 ILE 33 + QE PHE 35 OK 98 100 100 98 3.6-4.0 3.2/4583=48, ~4567=24...(23) 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 3.0-4.8 2.1/4584=76, 4534/2.2=65...(26) Violated in 6 structures by 0.13 A. Peak 4581 from anoeabs.peaks (0.51, 6.94, 130.03 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 52 + QE PHE 35 OK 96 100 100 96 3.4-4.6 2287/4570=43...(14) Violated in 19 structures by 0.47 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 - 5.7-6.9 Violated in 20 structures by 1.93 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 2.5-2.7 4567/2.2=64, 4596/2.2=45...(25) 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 2.7-3.7 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 14 assignments used, quality = 0.47: HA ARG 66 + HZ PHE 48 OK 47 52 100 91 2.0-3.6 4735=43, 4.1/4589=43...(11) HA LEU 62 - HZ PHE 35 far 7 73 10 - 4.8-5.6 HA LEU 62 - HZ PHE 48 far 0 64 0 - 5.3-7.1 HA GLN 61 - HZ PHE 35 far 0 89 0 - 6.5-7.3 HA THR 37 - HZ PHE 35 far 0 96 0 - 6.6-7.1 HA ALA 28 - HZ PHE 35 far 0 97 0 - 6.9-8.1 HA ARG 66 - HZ PHE 35 far 0 60 0 - 7.7-8.6 HA THR 37 - HZ PHE 48 far 0 87 0 - 8.7-9.6 HA2 GLY 72 - HZ PHE 48 far 0 83 0 - 8.8-11.2 HA VAL 76 - HZ PHE 48 far 0 73 0 - 9.0-18.4 HA GLN 61 - HZ PHE 48 far 0 79 0 - 9.4-10.7 HA GLU 50 - HZ PHE 48 far 0 81 0 - 9.5-10.3 HA LYS 32 - HZ PHE 35 far 0 60 0 - 9.5-10.4 HA GLU 50 - HZ PHE 35 far 0 90 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4586 from anoeabs.peaks (3.62, 6.95, 128.72 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.77: HA VAL 65 + HZ PHE 35 OK 50 95 60 89 4.4-5.6 3.2/4717=36, 3.2/4590=26...(10) HA VAL 65 + HZ PHE 48 OK 42 86 55 90 4.6-5.8 ~4718=39, 4606/2.2=32...(9) HA ARG 69 + HZ PHE 48 OK 20 88 25 92 4.5-6.7 3.0/5978=37, ~5979=27...(11) HA ILE 40 - HZ PHE 48 far 0 83 0 - 5.8-6.8 HA ILE 40 - HZ PHE 35 far 0 92 0 - 6.3-7.2 HA ARG 69 - HZ PHE 35 far 0 97 0 - 9.3-10.5 Violated in 13 structures by 0.11 A. Peak 4588 from anoeabs.peaks (1.91, 6.95, 128.72 ppm; 4.59 A): 1 out of 8 assignments used, quality = 0.65: HG12 ILE 40 + HZ PHE 35 OK 65 100 65 100 4.3-6.2 4322/4534=52...(15) HB ILE 68 - HZ PHE 48 poor 17 87 20 - 5.1-6.5 HG12 ILE 40 - HZ PHE 48 far 0 93 0 - 6.2-8.2 HB ILE 68 - HZ PHE 35 far 0 96 0 - 6.6-7.7 HG13 ILE 68 - HZ PHE 48 far 0 83 0 - 7.2-8.6 HG13 ILE 68 - HZ PHE 35 far 0 92 0 - 7.7-9.3 HB2 MET 31 - HZ PHE 35 far 0 65 0 - 7.7-8.7 HB VAL 41 - HZ PHE 48 far 0 71 0 - 8.8-11.1 Violated in 16 structures by 0.64 A. Peak 4589 from anoeabs.peaks (1.72, 6.95, 128.72 ppm; 4.61 A): 1 out of 10 assignments used, quality = 0.52: HG3 ARG 66 + HZ PHE 48 OK 52 66 80 98 2.9-6.2 1.8/5969=62, 4.1/4585=58...(8) HG2 ARG 70 - HZ PHE 48 far 4 89 5 - 5.3-11.0 HB2 LEU 62 - HZ PHE 35 far 0 63 0 - 6.9-8.0 HB2 LEU 62 - HZ PHE 48 far 0 54 0 - 7.3-9.4 HG3 ARG 66 - HZ PHE 35 far 0 76 0 - 7.4-9.3 HB2 LEU 43 - HZ PHE 48 far 0 92 0 - 7.7-8.5 HB3 LEU 64 - HZ PHE 35 far 0 81 0 - 8.2-9.4 HB2 LEU 43 - HZ PHE 35 far 0 99 0 - 8.6-9.8 HB2 ARG 84 - HZ PHE 48 far 0 91 0 - 9.0-34.3 HB3 LEU 64 - HZ PHE 48 far 0 71 0 - 9.2-10.3 Violated in 12 structures by 0.39 A. Peak 4590 from anoeabs.peaks (1.22, 6.95, 128.72 ppm; 2.81 A): 3 out of 12 assignments used, quality = 0.98: QG2 VAL 65 + HZ PHE 35 OK 84 100 100 84 1.9-2.5 4717=27, 4717/2.2=22...(18) QG1 VAL 65 + HZ PHE 35 OK 67 89 90 84 2.1-4.0 2.1/4717=22, 4719=21...(18) QG1 VAL 65 + HZ PHE 48 OK 63 79 95 84 2.0-3.8 4718/2.2=34, 4719=22...(14) HG2 ARG 69 - HZ PHE 48 far 9 62 15 - 3.0-6.2 HG13 ILE 40 - HZ PHE 35 far 0 90 0 - 4.2-6.3 HG LEU 52 - HZ PHE 48 far 0 73 0 - 4.2-5.3 QG2 VAL 65 - HZ PHE 48 far 0 94 0 - 4.2-5.7 HG13 ILE 33 - HZ PHE 35 far 0 100 0 - 4.9-5.5 HG LEU 52 - HZ PHE 35 far 0 83 0 - 5.5-7.1 HG13 ILE 40 - HZ PHE 48 far 0 81 0 - 5.7-8.1 HG2 ARG 69 - HZ PHE 35 far 0 71 0 - 7.5-12.2 HG13 ILE 33 - HZ PHE 48 far 0 93 0 - 9.4-10.7 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 1.9-2.3 4617=49, ~4688=34...(22) QD1 LEU 57 - HZ PHE 48 far 0 90 0 - 5.6-7.3 QG1 VAL 45 - HZ PHE 48 far 0 94 0 - 8.4-8.7 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 12 assignments used, quality = 0.93: HG LEU 51 + HZ PHE 35 OK 86 97 90 98 3.8-5.1 4564/4534=48, ~4584=43...(12) QG2 ILE 40 + HZ PHE 48 OK 54 54 100 98 3.4-4.2 4323/2.2=46, ~5612=32...(21) QD2 LEU 62 - HZ PHE 48 poor 19 54 35 - 4.3-6.3 QG2 ILE 40 - HZ PHE 35 poor 16 63 25 - 4.6-6.1 QD1 LEU 62 - HZ PHE 35 far 0 63 0 - 5.9-6.9 QD2 LEU 62 - HZ PHE 35 far 0 63 0 - 6.3-7.0 HG LEU 51 - HZ PHE 48 far 0 89 0 - 6.3-9.1 QD1 LEU 62 - HZ PHE 48 far 0 54 0 - 6.5-8.4 HG12 ILE 68 - HZ PHE 48 far 0 75 0 - 8.1-9.4 HG12 ILE 68 - HZ PHE 35 far 0 85 0 - 8.2-9.9 QG1 VAL 76 - HZ PHE 48 far 0 75 0 - 8.6-15.1 QG2 VAL 76 - HZ PHE 48 far 0 75 0 - 9.0-16.4 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 97 97 100 99 3.3-4.1 3.2/4596=55, 4579/2.2=44...(19) QD2 LEU 57 + HZ PHE 35 OK 93 93 100 100 2.0-3.6 2.1/4591=87, ~4688=47...(24) QD1 ILE 33 - HZ PHE 48 far 0 89 0 - 7.5-8.8 QD2 LEU 57 - HZ PHE 48 far 0 84 0 - 7.6-9.5 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 95 2.9-4.2 4581/2.2=55...(13) QD2 LEU 52 + HZ PHE 48 OK 88 90 100 98 2.5-3.8 2.1/4595=62, 4540/2.2=50...(11) 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 2.6-3.5 4539=83, 4538/2.2=56...(13) QD1 LEU 52 - HZ PHE 35 far 0 95 0 - 5.3-6.9 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 2.7-3.1 4583/2.2=92...(19) QG2 ILE 33 - HZ PHE 48 far 0 79 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 4597 from anoeabs.peaks (0.17, 6.95, 128.72 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 51 + HZ PHE 35 OK 83 83 100 100 2.8-4.4 4584/2.2=91...(17) QD2 LEU 51 + HZ PHE 48 OK 64 73 90 97 5.1-6.3 6095/2.2=62...(7) Violated in 0 structures by 0.00 A. Peak 4598 from anoeabs.peaks (3.55, 6.65, 132.79 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QD PHE 35 OK 99 99 100 100 4.5-4.6 1.8/4649=69, 2.3/4243=62...(23) HD3 PRO 36 + QD PHE 35 OK 82 82 100 100 3.7-3.8 4257/2.6=61, 4251/3.7=59...(20) Violated in 0 structures by 0.00 A. Peak 4599 from anoeabs.peaks (3.88, 6.65, 132.79 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 36 + QD PHE 35 OK 97 97 100 100 4.8-4.9 4260/2.6=71, 5577/2.6=69...(18) HA ILE 33 + QD PHE 35 OK 88 99 90 99 4.7-5.1 3.2/4567=66, 3.8/4649=51...(13) HA LEU 51 - QD PHE 35 far 0 96 0 - 5.6-7.2 Violated in 20 structures by 0.18 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 3.4-3.5 582=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 2.3-3.7 4629=95, 4628/2.2=67...(23) 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 2.8-3.2 180=98, 177/2.5=84...(14) H VAL 45 - QD PHE 48 far 0 77 0 - 5.7-6.4 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 3 assignments used, quality = 0.80: HA ARG 66 + QE PHE 48 OK 80 81 100 99 3.2-4.4 4605/2.2=56, 6072=52...(16) HA ARG 70 - QE PHE 48 far 0 100 0 - 6.2-8.7 HA VAL 76 - QE PHE 48 far 0 57 0 - 7.5-16.9 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 12 assignments used, quality = 0.97: HA ARG 66 + HZ PHE 48 OK 97 100 100 97 2.0-3.6 4735=64, 6072/2.2=46...(13) HA GLN 61 - HZ PHE 35 far 0 84 0 - 6.5-7.3 HA ARG 70 - HZ PHE 48 far 0 76 0 - 6.7-9.3 HA ALA 28 - HZ PHE 35 far 0 71 0 - 6.9-8.1 HA ARG 66 - HZ PHE 35 far 0 94 0 - 7.7-8.6 HA2 GLY 72 - HZ PHE 48 far 0 90 0 - 8.8-11.2 HA VAL 76 - HZ PHE 48 far 0 97 0 - 9.0-18.4 HA GLN 61 - HZ PHE 48 far 0 93 0 - 9.4-10.7 HA GLU 50 - HZ PHE 48 far 0 92 0 - 9.5-10.3 HA LYS 32 - HZ PHE 35 far 0 94 0 - 9.5-10.4 HA ARG 54 - HZ PHE 35 far 0 52 0 - 9.7-10.6 HA GLU 50 - HZ PHE 35 far 0 83 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4606 from anoeabs.peaks (3.62, 7.15, 131.07 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.99: HA VAL 65 + QE PHE 48 OK 86 89 100 97 3.9-4.8 3.2/4718=61, 3.2/4716=36...(15) HA ILE 40 + QE PHE 48 OK 85 85 100 100 3.4-4.5 5120=85, 3.2/4323=59...(17) HA ARG 69 + QE PHE 48 OK 34 92 40 93 4.1-5.7 3.9/4784=31, 3.9/5981=30...(13) 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 4.4-4.4 4.4=100 HB2 ASN 49 - QE PHE 48 far 9 57 15 - 4.8-6.4 HB2 ASP 67 - QE PHE 48 far 0 57 0 - 7.5-8.5 HB3 ASP 67 - QE PHE 48 far 0 63 0 - 7.6-8.6 HB2 PHE 35 - QE PHE 48 far 0 92 0 - 8.0-9.1 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 6 assignments used, quality = 0.99: HD2 ARG 69 + QE PHE 48 OK 80 81 100 100 2.5-5.0 3.0/4784=51, 3.0/5981=50...(18) HD3 ARG 69 + QE PHE 48 OK 80 81 100 100 2.5-4.9 3.0/4784=51, 3.0/5981=50...(17) HG2 ARG 66 + QE PHE 48 OK 75 100 75 100 3.4-7.3 5969/2.2=66, 1.8/5966=61...(8) HB3 GLN 79 - QE PHE 48 far 0 92 0 - 6.5-24.4 HG LEU 43 - QE PHE 48 far 0 81 0 - 7.5-8.2 QE MET 31 - QE PHE 48 far 0 83 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 4610 from anoeabs.peaks (1.22, 7.15, 131.07 ppm; 3.54 A): 4 out of 6 assignments used, quality = 0.99: QG1 VAL 65 + QE PHE 48 OK 88 89 100 99 1.9-2.5 4718=77, 4728/4540=32...(20) HG LEU 52 + QE PHE 48 OK 70 83 85 99 3.7-4.6 2.1/4538=61, 2.1/4540=54...(15) QG2 VAL 65 + QE PHE 48 OK 59 100 60 98 3.2-4.9 2.1/4718=62...(19) HG13 ILE 40 + QE PHE 48 OK 31 90 35 99 3.4-5.8 3.2/4323=46, 2.1/4611=43...(18) HG2 ARG 69 - QE PHE 48 poor 19 71 30 89 2.6-5.9 1.8/4784=25, 3.0/4789=19...(16) HG13 ILE 33 - QE PHE 48 far 0 100 0 - 8.1-8.9 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 2.3-4.1 4316=93, 1942/4323=75...(22) HG3 PRO 34 - QE PHE 48 far 0 98 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 4612 from anoeabs.peaks (0.93, 7.15, 131.07 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 40 + QE PHE 48 OK 100 100 100 100 1.9-2.5 4323=95, 4617/2.2=75...(27) QD2 LEU 62 + QE PHE 48 OK 25 100 30 85 4.6-6.0 4680/4538=52...(8) QG2 VAL 41 - QE PHE 48 far 0 98 0 - 5.0-6.7 QD1 LEU 64 - QE PHE 48 far 0 60 0 - 6.5-8.6 HG12 ILE 68 - QE PHE 48 far 0 100 0 - 7.1-8.2 QD2 LEU 43 - QE PHE 48 far 0 85 0 - 7.1-7.9 QG1 VAL 76 - QE PHE 48 far 0 100 0 - 7.6-13.5 QG2 VAL 76 - QE PHE 48 far 0 100 0 - 7.8-14.4 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 2.6-3.4 4540=94, 2.1/4538=87...(18) 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 2.2-3.5 4538=96, 4595/2.2=83...(21) 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 = 0.97: QG2 VAL 65 + HZ PHE 35 OK 77 94 100 83 1.9-2.5 4717=27, 4717/2.2=22...(18) QG1 VAL 65 + HZ PHE 48 OK 71 89 95 84 2.0-3.8 4718/2.2=34, 4719=22...(14) QG1 VAL 65 + HZ PHE 35 OK 59 79 90 83 2.1-4.0 2.1/4717=22, 4719=21...(18) HG2 ARG 69 - HZ PHE 48 far 11 71 15 - 3.0-6.2 HG13 ILE 40 - HZ PHE 35 far 0 81 0 - 4.2-6.3 HG LEU 52 - HZ PHE 48 far 0 83 0 - 4.2-5.3 QG2 VAL 65 - HZ PHE 48 far 0 100 0 - 4.2-5.7 HG13 ILE 33 - HZ PHE 35 far 0 93 0 - 4.9-5.5 HG LEU 52 - HZ PHE 35 far 0 73 0 - 5.5-7.1 HG13 ILE 40 - HZ PHE 48 far 0 90 0 - 5.7-8.1 HG2 ARG 69 - HZ PHE 35 far 0 62 0 - 7.5-12.2 HG13 ILE 33 - HZ PHE 48 far 0 100 0 - 9.4-10.7 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 = 0.95: QD1 LEU 57 + HZ PHE 35 OK 81 83 100 98 1.9-2.3 4617=43, 4577/2.2=38...(23) QD1 ILE 40 + HZ PHE 35 OK 72 73 100 99 3.5-4.1 2.1/4588=41, 4577/2.2=40...(22) QD1 ILE 40 - HZ PHE 48 far 4 83 5 - 4.1-5.8 QD1 LEU 57 - HZ PHE 48 far 0 92 0 - 5.6-7.3 QG1 VAL 45 - HZ PHE 48 far 0 71 0 - 8.4-8.7 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 14 assignments used, quality = 0.99: QG2 ILE 40 + HZ PHE 48 OK 99 100 100 99 3.4-4.2 4323/2.2=65, 4324=43...(23) QD2 LEU 62 - HZ PHE 48 poor 20 100 20 - 4.3-6.3 QG2 ILE 40 - HZ PHE 35 far 5 93 5 - 4.6-6.1 QG2 VAL 41 - HZ PHE 48 far 0 98 0 - 5.7-8.2 QD1 LEU 64 - HZ PHE 35 far 0 52 0 - 5.7-8.4 QD2 LEU 62 - HZ PHE 35 far 0 93 0 - 6.3-7.0 QD1 LEU 64 - HZ PHE 48 far 0 60 0 - 7.4-9.1 HG12 ILE 68 - HZ PHE 48 far 0 100 0 - 8.1-9.4 HG12 ILE 68 - HZ PHE 35 far 0 93 0 - 8.2-9.9 QG2 VAL 41 - HZ PHE 35 far 0 90 0 - 8.6-9.4 QG1 VAL 76 - HZ PHE 48 far 0 100 0 - 8.6-15.1 QD2 LEU 43 - HZ PHE 35 far 0 75 0 - 8.7-9.8 QD2 LEU 43 - HZ PHE 48 far 0 85 0 - 9.0-9.9 QG2 VAL 76 - HZ PHE 48 far 0 100 0 - 9.0-16.4 Violated in 9 structures by 0.06 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 2.5-3.8 2.1/4619=61, 4540/2.2=53...(11) QD2 LEU 52 + HZ PHE 35 OK 89 94 100 96 2.9-4.2 4581/2.2=57, 4541=37...(13) 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 2.6-3.5 4539=95, 4538/2.2=62...(13) QD1 LEU 52 - HZ PHE 35 far 0 93 0 - 5.3-6.9 Violated in 0 structures by 0.00 A. Peak 4621 from anoeabs.peaks (3.63, 7.06, 131.49 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 99 99 100 100 2.5-3.3 4325=96, 5120/2.2=85...(17) HA ARG 69 + QD PHE 48 OK 26 100 30 86 5.1-6.3 ~5979=33, 4769/5128=27...(11) HA VAL 65 - QD PHE 48 far 0 99 0 - 6.0-6.7 HD3 PRO 14 - QD PHE 48 far 0 97 0 - 9.7-30.9 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 4.5-6.1 4716/2.2=90, ~4718=85...(11) HG13 ILE 40 + QD PHE 48 OK 90 90 100 100 3.7-6.0 2.1/5619=90, 1.8/5618=87...(20) QG1 VAL 65 + QD PHE 48 OK 88 88 100 100 3.4-4.3 4718/2.2=89...(18) HG LEU 52 + QD PHE 48 OK 82 82 100 100 3.8-4.5 2.1/4959=98, 2.1/5361=98...(12) HG2 ARG 69 + QD PHE 48 OK 63 70 90 100 3.5-6.8 ~4784=65, 5981/2.2=55...(13) HG13 ILE 33 - QD PHE 48 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4623 from anoeabs.peaks (0.94, 7.06, 131.49 ppm; 5.28 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 43 + QD PHE 48 OK 99 99 100 100 5.3-6.2 2.1/4370=96, 4919=94...(17) QG2 ILE 40 + QD PHE 48 OK 98 98 100 100 2.0-3.0 4323/2.2=97, 5128=95...(31) QG2 VAL 41 + QD PHE 48 OK 59 100 85 69 5.4-6.5 4349/5613=32...(10) QD2 LEU 62 + QD PHE 48 OK 23 98 25 96 5.7-6.8 4680/4959=74...(6) QG1 VAL 76 - QD PHE 48 far 0 88 0 - 7.4-14.2 QG2 VAL 76 - QD PHE 48 far 0 88 0 - 7.5-15.2 QD1 LEU 64 - QD PHE 48 far 0 88 0 - 8.0-10.1 HG12 ILE 68 - QD PHE 48 far 0 88 0 - 8.5-9.8 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 4 assignments used, quality = 0.95: QD1 LEU 43 + QD PHE 48 OK 95 95 100 100 3.3-4.3 4370=95, 4468/3.7=56...(18) QG2 ILE 68 - QD PHE 48 far 0 97 0 - 5.3-6.7 QG1 VAL 41 - QD PHE 48 far 0 77 0 - 6.1-7.3 QD2 LEU 64 - QD PHE 48 far 0 65 0 - 8.4-9.6 Violated in 1 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 2.4-3.4 4527=100, 4520/4370=61...(17) 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 3.1-4.1 4614/2.2=99, 2.1/5361=98...(16) 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 2 assignments used, quality = 0.99: H TYR 55 + QD TYR 55 OK 99 99 100 100 2.0-3.4 687=99, 684/2.5=64...(21) H GLN 61 - QD TYR 55 far 0 100 0 - 9.7-10.5 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 2.5-3.8 4658=74, 2.2/4629=66...(23) HZ PHE 35 - QD TYR 55 far 5 99 5 - 4.4-5.8 HZ PHE 48 - QD TYR 55 far 0 98 0 - 9.3-10.8 Violated in 3 structures by 0.01 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 2.3-3.7 4601=98, 2.2/4628=69...(23) Violated in 0 structures by 0.00 A. Peak 4630 from anoeabs.peaks (3.69, 7.34, 134.10 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + QD TYR 55 OK 97 100 100 97 2.5-3.8 4.6=48, 3.8/4555=46...(11) HD3 PRO 56 + QD TYR 55 OK 97 100 100 97 3.7-4.3 4.6=48, 3.8/4555=46...(11) Violated in 0 structures by 0.00 A. Peak 4631 from anoeabs.peaks (3.80, 7.34, 134.10 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 52 + QD TYR 55 OK 99 99 100 100 3.9-5.0 6131=82, 4581/687=65...(9) HD2 PRO 14 - QD TYR 55 far 0 94 0 - 9.6-26.3 Violated in 16 structures by 0.11 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 2.9-4.0 5220/4634=53...(15) HA ILE 33 - QD TYR 55 far 0 99 0 - 6.1-6.8 HD2 PRO 36 - QD TYR 55 far 0 97 0 - 7.6-8.7 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 9 assignments used, quality = 1.00: HG2 PRO 34 + QD TYR 55 OK 99 100 100 99 2.2-3.9 2.3/4666=39, 4246=36...(27) HB2 ARG 54 + QD TYR 55 OK 96 97 100 100 2.2-3.8 1.8/4634=59, ~4644=35...(21) HB2 PRO 34 + QD TYR 55 OK 70 71 100 99 2.0-3.6 1.8/4666=41, 2.3/4246=35...(26) HB2 LEU 57 - QD TYR 55 far 0 96 0 - 5.4-6.6 HB3 LYS 39 - QD TYR 55 far 0 63 0 - 6.7-9.8 HB ILE 33 - QD TYR 55 far 0 93 0 - 7.4-8.4 HB2 LYS 32 - QD TYR 55 far 0 85 0 - 8.1-10.8 HB3 LYS 32 - QD TYR 55 far 0 85 0 - 8.3-10.1 HB2 LEU 62 - QD TYR 55 far 0 99 0 - 9.0-10.3 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 4 assignments used, quality = 0.99: HB3 ARG 54 + QD TYR 55 OK 99 99 100 100 2.5-3.5 4644/2.2=62, 213/687=50...(23) HG2 LYS 39 - QD TYR 55 far 0 99 0 - 6.4-8.3 HG LEU 62 - QD TYR 55 far 0 73 0 - 7.3-8.3 HG LEU 64 - QD TYR 55 far 0 100 0 - 9.8-12.5 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 2.1-3.4 2.3/4666=61, 1.8/4246=60...(27) QD1 LEU 57 + QD TYR 55 OK 65 65 100 100 3.5-4.3 2.1/4636=72, 5149/2.5=53...(20) QD1 ILE 40 - QD TYR 55 far 0 99 0 - 6.4-7.9 Violated in 0 structures by 0.00 A. Peak 4636 from anoeabs.peaks (0.71, 7.34, 134.10 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + QD TYR 55 OK 100 100 100 100 3.8-4.1 4587/2.5=56, 4604/2.5=55...(22) QD1 ILE 33 - QD TYR 55 far 0 100 0 - 6.0-6.7 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 2.0-4.3 4647/2.2=87, 2.1/4655=65...(26) Violated in 1 structures by 0.01 A. Peak 4638 from anoeabs.peaks (3.90, 6.81, 118.01 ppm; 4.22 A): 1 out of 7 assignments used, quality = 0.98: HA LEU 51 + QE TYR 55 OK 98 98 100 100 3.2-4.0 2245/4533=73...(13) HD2 PRO 36 - QE TYR 55 far 0 59 0 - 6.1-7.4 HD2 PRO 36 - QE TYR 81 far 0 32 0 - 6.7-31.8 HA ILE 33 - QE TYR 55 far 0 95 0 - 6.9-8.1 HA2 GLY 18 - QE TYR 55 far 0 65 0 - 8.9-20.7 HA LEU 62 - QE TYR 55 far 0 75 0 - 9.7-10.4 HA3 GLY 18 - QE TYR 55 far 0 62 0 - 9.7-20.0 Violated in 0 structures by 0.00 A. Peak 4639 from anoeabs.peaks (4.89, 6.81, 118.01 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: HA TYR 55 + QE TYR 55 OK 98 98 100 100 4.6-4.8 4555/2.2=89, 3.0/5713=56...(8) Violated in 20 structures by 0.19 A. Peak 4640 from anoeabs.peaks (3.02, 6.81, 118.01 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.87: HD3 ARG 54 + QE TYR 55 OK 64 94 70 98 3.6-5.3 3.6/4644=47, 4565=39...(15) HB2 TYR 81 + QE TYR 81 OK 42 52 100 80 4.4-4.5 4.4=58, ~4674=32, ~5466=30 HD2 ARG 54 + QE TYR 55 OK 37 95 40 98 3.3-5.9 3.6/4644=47, 1.8/4565=37...(15) Violated in 11 structures by 0.05 A. Peak 4641 from anoeabs.peaks (2.94, 6.81, 118.01 ppm; 4.05 A): 2 out of 9 assignments used, quality = 1.00: HB3 TYR 55 + QE TYR 55 OK 99 100 100 99 4.4-4.5 4.4=76, 3.0/4639=53...(10) HB3 PHE 35 + QE TYR 55 OK 57 59 100 97 2.4-4.3 2.6/5712=58, ~4601=41...(10) HB3 PHE 35 - QE TYR 81 far 0 32 0 - 8.0-30.9 HE2 LYS 13 - QE TYR 55 far 0 62 0 - 8.2-25.2 HE3 LYS 13 - QE TYR 55 far 0 65 0 - 8.4-24.4 HE3 LYS 73 - QE TYR 81 far 0 57 0 - 9.2-24.1 HE2 LYS 13 - QE TYR 81 far 0 34 0 - 9.4-48.1 HE2 LYS 73 - QE TYR 81 far 0 56 0 - 9.4-24.4 HE3 LYS 13 - QE TYR 81 far 0 36 0 - 9.9-47.7 Violated in 0 structures by 0.00 A. Peak 4642 from anoeabs.peaks (2.82, 6.81, 118.01 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.89: HB2 TYR 55 + QE TYR 55 OK 77 77 100 100 4.4-4.5 4.4=88, 3.0/4639=58...(10) HB2 PHE 35 + QE TYR 55 OK 51 62 85 96 3.9-5.7 2.6/5712=64, ~4601=45...(7) HB2 PHE 35 - QE TYR 81 far 0 34 0 - 7.0-29.8 HB3 ASP 67 - QE TYR 81 far 0 55 0 - 9.9-21.8 Violated in 1 structures by 0.00 A. Peak 4643 from anoeabs.peaks (1.77, 6.81, 118.01 ppm; 3.41 A): 2 out of 14 assignments used, quality = 1.00: HB2 ARG 54 + QE TYR 55 OK 99 100 100 100 2.8-3.7 1.8/4644=62, ~4634=36...(20) HB2 PRO 34 + QE TYR 55 OK 82 94 90 98 2.0-4.7 1.8/4667=43, 2.3/4664=42...(19) HG2 PRO 34 - QE TYR 55 poor 20 99 20 - 3.9-5.7 HB3 ARG 82 - QE TYR 81 far 10 65 15 - 3.3-6.7 HB2 LYS 83 - QE TYR 81 far 3 55 5 - 4.2-11.6 HB3 LYS 39 - QE TYR 81 far 3 53 5 - 3.4-28.9 HB3 LYS 39 - QE TYR 55 far 0 89 0 - 5.2-8.4 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 7.3-8.7 HB ILE 33 - QE TYR 55 far 0 100 0 - 7.6-8.6 HB2 LYS 13 - QE TYR 55 far 0 75 0 - 8.4-25.5 HB3 LYS 75 - QE TYR 81 far 0 46 0 - 8.7-19.7 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 8.8-21.1 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.4 HB2 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.7 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 10 assignments used, quality = 0.99: HB3 ARG 54 + QE TYR 55 OK 99 99 100 100 2.9-3.8 4634/2.2=60, 1.8/4643=45...(19) HG2 ARG 82 - QE TYR 81 far 4 37 10 - 3.5-6.6 HD2 LYS 39 - QE TYR 55 far 0 59 0 - 4.7-8.2 HG2 LYS 39 - QE TYR 55 far 0 99 0 - 4.9-7.4 HD3 LYS 39 - QE TYR 55 far 0 62 0 - 5.0-8.0 HG3 ARG 54 - QE TYR 55 far 0 77 0 - 5.1-6.0 HD2 LYS 39 - QE TYR 81 far 0 32 0 - 5.6-30.5 HG2 LYS 39 - QE TYR 81 far 0 64 0 - 5.6-30.2 HD3 LYS 39 - QE TYR 81 far 0 34 0 - 6.8-30.0 HG LEU 62 - QE TYR 55 far 0 95 0 - 9.1-10.1 Violated in 8 structures by 0.01 A. Peak 4645 from anoeabs.peaks (1.30, 6.81, 118.01 ppm; 4.08 A): 1 out of 4 assignments used, quality = 0.76: HB2 LEU 51 + QE TYR 55 OK 76 80 95 100 4.2-5.3 3.1/4647=71, 3.0/4646=64...(15) HG2 ARG 54 - QE TYR 55 far 10 99 10 - 4.4-5.3 HB2 LEU 51 - QE TYR 81 far 0 46 0 - 8.6-29.1 QG2 THR 58 - QE TYR 55 far 0 95 0 - 9.3-10.8 Violated in 20 structures by 0.30 A. Peak 4646 from anoeabs.peaks (0.87, 6.81, 118.01 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.45: HG LEU 51 + QE TYR 55 OK 45 75 60 100 2.0-5.0 2.1/4647=82, 2.1/4648=68...(13) QD1 LEU 62 - QE TYR 55 far 0 99 0 - 8.0-9.1 QD2 LEU 64 - QE TYR 55 far 0 70 0 - 9.1-10.1 QD1 LEU 62 - QE TYR 81 far 0 64 0 - 9.3-21.3 HG LEU 51 - QE TYR 81 far 0 42 0 - 10.0-29.4 Violated in 12 structures by 0.55 A. Peak 4647 from anoeabs.peaks (0.60, 6.81, 118.01 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.72: QD1 LEU 51 + QE TYR 55 OK 72 72 100 100 1.9-2.9 4533=65, 2.1/4646=51...(20) QD1 LEU 51 - QE TYR 81 far 0 41 0 - 6.9-25.2 Violated in 0 structures by 0.00 A. Peak 4648 from anoeabs.peaks (0.19, 6.81, 118.01 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 51 + QE TYR 55 OK 100 100 100 100 3.4-4.7 2.1/4647=84, 2.1/4646=71...(17) QD2 LEU 51 - QE TYR 81 far 0 65 0 - 6.8-23.0 Violated in 19 structures by 0.44 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 3.4-3.6 2.3/4243=69, 4687/2.2=63...(22) HB2 ASN 42 - QD PHE 35 far 0 91 0 - 7.4-8.7 HB3 ASN 42 - QD PHE 35 far 0 88 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 4650 from anoeabs.peaks (2.08, 6.65, 132.79 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.98: HG2 PRO 36 + QD PHE 35 OK 98 98 100 100 4.4-4.6 2.3/5578=61, ~4874=52...(20) HG3 PRO 36 - QD PHE 35 far 0 96 0 - 5.6-5.8 HG3 PRO 56 - QD PHE 35 far 0 99 0 - 7.1-9.1 HB3 MET 31 - QD PHE 35 far 0 93 0 - 8.2-9.7 HB2 PRO 56 - QD PHE 35 far 0 100 0 - 8.3-9.7 Violated in 2 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 = 0.96: QG2 VAL 45 + QD PHE 48 OK 91 91 100 100 3.1-4.1 4421=92, 3.2/4418=64...(15) QD1 ILE 40 + QD PHE 48 OK 59 59 100 100 3.1-5.1 3.0/5128=61, 4.1/4325=55...(21) HG3 PRO 34 - QD PHE 48 far 0 90 0 - 9.1-10.4 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 12 assignments used, quality = 0.86: HG3 ARG 69 + HZ PHE 48 OK 67 97 70 98 3.2-6.7 4784/2.2=46, 3.0/5978=41...(14) HB3 ARG 69 + HZ PHE 48 OK 57 63 95 96 2.5-5.5 1.8/5978=45, ~5979=36...(13) QB ALA 77 - HZ PHE 48 far 0 98 0 - 5.7-18.5 QB ALA 28 - HZ PHE 35 far 0 54 0 - 6.1-7.3 QB ALA 78 - HZ PHE 48 far 0 81 0 - 6.9-19.5 HB3 ARG 69 - HZ PHE 35 far 0 54 0 - 8.2-10.7 HG3 ARG 69 - HZ PHE 35 far 0 89 0 - 8.3-12.1 QB ALA 53 - HZ PHE 35 far 0 59 0 - 8.5-9.1 QB ALA 28 - HZ PHE 48 far 0 63 0 - 8.9-11.0 QB ALA 53 - HZ PHE 48 far 0 68 0 - 8.9-9.6 QB ALA 16 - HZ PHE 35 far 0 92 0 - 9.2-20.2 HG3 LYS 73 - HZ PHE 48 far 0 81 0 - 9.6-12.7 Violated in 3 structures by 0.03 A. Peak 4653 from anoeabs.peaks (1.78, 6.95, 128.89 ppm; 4.85 A): 4 out of 14 assignments used, quality = 0.99: HB2 ARG 69 + HZ PHE 48 OK 88 89 100 100 2.4-4.6 5047/4605=55, 5978=53...(15) HB2 LEU 57 + HZ PHE 35 OK 74 75 100 99 5.0-5.6 3.1/4591=72, ~4688=48...(15) HG2 PRO 34 + HZ PHE 35 OK 59 59 100 100 5.6-5.7 ~4687=53, 4242/3.8=41...(22) HB ILE 33 + HZ PHE 35 OK 35 79 45 99 5.6-6.0 2.1/4596=68, ~4583=66...(15) HB3 LYS 39 - HZ PHE 35 far 5 94 5 - 5.6-9.7 HB2 PRO 34 - HZ PHE 35 far 0 92 0 - 6.5-7.3 HB2 ARG 54 - HZ PHE 35 far 0 73 0 - 7.4-8.5 HB3 LYS 73 - HZ PHE 48 far 0 99 0 - 7.6-11.7 HB2 ARG 69 - HZ PHE 35 far 0 79 0 - 8.4-10.1 HB2 LEU 57 - HZ PHE 48 far 0 85 0 - 8.4-10.2 HB2 LYS 32 - HZ PHE 35 far 0 87 0 - 8.6-10.8 HB3 LYS 39 - HZ PHE 48 far 0 100 0 - 9.0-12.0 HB3 LYS 75 - HZ PHE 48 far 0 100 0 - 9.3-17.8 HB3 LYS 32 - HZ PHE 35 far 0 87 0 - 9.7-11.1 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 4 assignments used, quality = 1.00: HG LEU 51 + QD TYR 55 OK 100 100 100 100 2.6-4.3 2.1/4637=78, 2.1/4665=69...(19) QD1 LEU 62 - QD TYR 55 far 0 87 0 - 6.3-7.5 QG1 VAL 90 - QD TYR 55 far 0 99 0 - 9.2-44.3 QG2 VAL 90 - QD TYR 55 far 0 99 0 - 9.4-43.6 Violated in 1 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 3.9-4.6 5122/2.2=64, 5609=57...(13) HE ARG 54 - QD PHE 35 far 0 68 0 - 5.8-11.4 H ALA 53 - QD PHE 35 far 0 84 0 - 8.0-9.1 Violated in 3 structures by 0.01 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 2.5-3.8 4628=96, 4601/2.2=77...(24) 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 8 assignments used, quality = 0.99: HG2 LYS 39 + QD PHE 35 OK 92 93 100 99 2.5-4.2 5939=72, 2.9/5940=47...(14) HD3 LYS 39 + QD PHE 35 OK 77 82 95 98 2.6-6.0 3.0/5939=56, 3.5/5940=44...(16) HD2 LYS 39 + QD PHE 35 OK 71 80 90 98 3.9-6.2 3.0/5939=56, 3.5/5940=44...(16) HB3 ARG 54 - QD PHE 35 far 0 93 0 - 6.5-8.1 HG LEU 64 - QD PHE 35 far 0 78 0 - 7.2-8.8 HG3 ARG 54 - QD PHE 35 far 0 93 0 - 7.9-10.1 HG LEU 62 - QD PHE 35 far 0 100 0 - 8.2-8.9 HB3 LEU 29 - QD PHE 35 far 0 86 0 - 8.7-11.7 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 9 assignments used, quality = 0.99: HD3 ARG 69 + HZ PHE 48 OK 86 98 90 98 3.0-5.8 3.9/5978=28, 4789/2.2=28...(18) HD2 ARG 69 + HZ PHE 48 OK 72 98 75 98 3.0-5.9 3.9/5978=28, 4789/2.2=28...(18) HG2 ARG 66 + HZ PHE 48 OK 69 97 75 95 2.3-6.8 1.8/4589=52...(8) HG2 ARG 66 - HZ PHE 35 far 0 88 0 - 7.2-10.4 HG2 PRO 56 - HZ PHE 35 far 0 81 0 - 8.0-10.7 HD2 ARG 69 - HZ PHE 35 far 0 90 0 - 8.4-11.4 HB3 GLN 79 - HZ PHE 48 far 0 65 0 - 8.7-27.6 HD3 ARG 69 - HZ PHE 35 far 0 90 0 - 9.1-12.4 HB3 PRO 56 - HZ PHE 35 far 0 89 0 - 10.0-11.1 Violated in 3 structures by 0.02 A. Peak 4662 from anoeabs.peaks (3.99, 7.34, 134.10 ppm; 4.54 A): 1 out of 4 assignments used, quality = 0.83: HA ARG 54 + QD TYR 55 OK 83 83 100 100 4.2-4.6 3.0/4634=77, 3.6/687=74...(20) HA GLU 50 - QD TYR 55 far 0 73 0 - 6.7-7.7 HA LYS 32 - QD TYR 55 far 0 97 0 - 9.0-10.1 HA GLN 61 - QD TYR 55 far 0 76 0 - 9.5-10.3 Violated in 9 structures by 0.02 A. Peak 4663 from anoeabs.peaks (1.31, 7.34, 134.10 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.99: HG2 ARG 54 + QD TYR 55 OK 95 100 95 100 4.3-5.7 3.0/4634=72, 678/5703=52...(26) HB2 LEU 51 + QD TYR 55 OK 90 94 95 100 4.4-5.7 4645/2.2=75, 3.0/4632=65...(18) HB2 LEU 52 - QD TYR 55 far 0 65 0 - 6.2-7.0 QG2 THR 58 - QD TYR 55 far 0 100 0 - 7.6-9.0 Violated in 5 structures by 0.01 A. Peak 4664 from anoeabs.peaks (1.03, 6.81, 118.01 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.96: HG3 PRO 34 + QE TYR 55 OK 96 96 100 100 3.2-4.6 2.3/4667=69, 5565/2.2=59...(19) QD1 ILE 40 - QE TYR 55 far 0 100 0 - 6.5-8.1 QD1 ILE 40 - QE TYR 81 far 0 65 0 - 8.4-20.5 Violated in 1 structures by 0.01 A. Peak 4665 from anoeabs.peaks (0.19, 7.34, 134.10 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + QD TYR 55 OK 100 100 100 100 4.1-5.0 4648/2.2=85, 2.1/4637=83...(21) Violated in 12 structures by 0.15 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 2.0-4.3 2.3/4246=66, 2.3/5565=61...(24) HB2 LYS 39 - QD TYR 55 far 0 100 0 - 7.1-9.8 HB3 PRO 14 - QD TYR 55 far 0 63 0 - 7.3-25.2 HB2 MET 11 - QD TYR 55 far 0 68 0 - 9.6-31.0 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 8 assignments used, quality = 0.95: HB3 PRO 34 + QE TYR 55 OK 95 100 95 100 2.1-5.6 2.3/4664=73, 4666/2.2=56...(16) HB2 LYS 39 - QE TYR 81 far 2 46 5 - 3.7-28.6 HB2 LYS 39 - QE TYR 55 far 0 80 0 - 5.8-8.4 HB3 PRO 14 - QE TYR 55 far 0 96 0 - 7.1-24.1 HG12 ILE 40 - QE TYR 55 far 0 59 0 - 7.1-9.4 HB2 MET 11 - QE TYR 55 far 0 97 0 - 7.8-31.1 HG12 ILE 40 - QE TYR 81 far 0 32 0 - 7.9-25.5 HB2 ARG 66 - QE TYR 81 far 0 65 0 - 9.2-19.0 Violated in 2 structures by 0.06 A. Peak 4668 from anoeabs.peaks (7.06, 6.78, 118.00 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.88: QD TYR 81 + QE TYR 81 OK 88 88 100 100 2.2-2.2 2.2=100 QD PHE 48 - QE TYR 81 far 0 99 0 - 8.8-22.0 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 4 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 - 7.7-8.6 QD PHE 48 - QE TYR 81 far 0 100 0 - 8.8-22.0 QD TYR 81 - QE TYR 55 far 0 61 0 - 9.8-28.1 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 = 0.97: H ARG 82 + QD TYR 81 OK 84 85 100 99 1.9-3.7 4.3=89, 3.6/4674=69...(8) H TYR 81 + QD TYR 81 OK 79 81 100 97 2.0-4.4 4.5=81, 3.0/4674=79...(6) 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 = 0.79: HA TYR 81 + QD TYR 81 OK 79 97 100 81 2.3-3.7 5466=63, 5474/4.3=25...(6) Violated in 6 structures by 0.12 A. Peak 4675 from anoeabs.peaks (4.19, 7.08, 132.95 ppm; 3.81 A): 3 out of 4 assignments used, quality = 0.74: HA ARG 82 + QD TYR 81 OK 45 97 50 93 2.6-5.6 3.0/4683=46...(10) HA GLN 79 + QD TYR 81 OK 38 97 50 79 2.4-8.1 5446/4685=36, ~4681=25...(6) HA ALA 78 + QD TYR 81 OK 25 85 30 97 2.0-10.6 2.1/4685=58, 5862/2.5=43...(8) HA ARG 84 - QD TYR 81 far 0 100 0 - 6.8-11.0 Violated in 3 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 6 assignments used, quality = 0.92: HB3 TYR 81 + QD TYR 81 OK 92 92 100 100 2.3-2.7 2.5=100 HE2 LYS 39 - QD TYR 81 far 0 94 0 - 6.5-29.9 HE2 LYS 13 - QD TYR 81 far 0 100 0 - 7.3-50.3 HE3 LYS 13 - QD TYR 81 far 0 100 0 - 7.8-49.9 HE3 LYS 39 - QD TYR 81 far 0 92 0 - 8.0-30.5 HE3 LYS 73 - QD TYR 81 far 0 96 0 - 9.5-22.4 Violated in 0 structures by 0.00 A. Peak 4678 from anoeabs.peaks (4.18, 6.79, 118.00 ppm; 4.40 A): 3 out of 5 assignments used, quality = 0.67: HA ARG 82 + QE TYR 81 OK 36 100 45 79 4.2-7.7 ~4683=38, 4675/2.2=34...(6) HA GLN 79 + QE TYR 81 OK 34 89 45 86 2.3-9.4 3.0/4681=54...(5) HA ALA 78 + QE TYR 81 OK 23 68 35 96 3.3-12.8 2.1/4686=69, ~4685=49...(7) HA ARG 84 - QE TYR 81 far 0 100 0 - 6.8-13.1 HA ALA 53 - QE TYR 55 far 0 52 0 - 7.8-8.4 Violated in 4 structures by 0.00 A. Peak 4679 from anoeabs.peaks (3.01, 6.79, 118.00 ppm; 3.97 A): 3 out of 3 assignments used, quality = 0.87: HB2 TYR 81 + QE TYR 81 OK 72 81 100 90 4.4-4.5 4.4=71, ~4674=38...(5) HD3 ARG 54 + QE TYR 55 OK 38 52 75 98 3.6-5.3 4565=37, 3.0/4969=35...(15) HD2 ARG 54 + QE TYR 55 OK 23 53 45 98 3.3-5.9 3.0/4969=35, 1.8/4565=35...(15) 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 11 assignments used, quality = 0.00: HB3 GLN 79 - QE TYR 81 poor 17 94 35 53 3.6-10.5 3.0/4678=27, ~4675=19, ~5868=19 HG LEU 43 - QE TYR 81 far 4 85 5 - 4.7-29.0 HG2 PRO 56 - QE TYR 55 far 0 30 0 - 6.3-8.2 HG3 PRO 14 - QE TYR 55 far 0 42 0 - 7.2-25.3 HG LEU 43 - QE TYR 55 far 0 49 0 - 7.5-8.8 HD3 ARG 69 - QE TYR 81 far 0 76 0 - 7.9-21.8 HB3 PRO 56 - QE TYR 55 far 0 40 0 - 8.0-9.4 HG2 PRO 14 - QE TYR 55 far 0 42 0 - 8.4-24.1 HB3 MET 11 - QE TYR 55 far 0 65 0 - 8.6-31.7 HD2 ARG 69 - QE TYR 81 far 0 76 0 - 9.0-22.6 HG3 PRO 14 - QE TYR 81 far 0 76 0 - 9.7-48.9 Violated in 13 structures by 0.51 A. Peak 4683 from anoeabs.peaks (1.76, 7.08, 132.95 ppm; 4.51 A): 1 out of 5 assignments used, quality = 0.97: HB3 ARG 82 + QD TYR 81 OK 97 100 100 97 2.6-4.6 5479/4684=68...(9) HB2 LYS 83 - QD TYR 81 far 4 89 5 - 4.7-9.5 HB3 LYS 39 - QD TYR 81 far 4 87 5 - 5.3-28.7 HB3 LYS 73 - QD TYR 81 far 0 94 0 - 8.4-19.1 HB2 LYS 13 - QD TYR 81 far 0 71 0 - 8.6-51.0 Violated in 8 structures by 0.02 A. Peak 4684 from anoeabs.peaks (1.53, 7.08, 132.95 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.91: HG2 ARG 82 + QD TYR 81 OK 91 100 100 91 2.0-4.6 5479/4683=62...(5) HG2 LYS 39 - QD TYR 81 far 0 92 0 - 6.9-28.6 Violated in 8 structures by 0.04 A. Peak 4685 from anoeabs.peaks (1.37, 7.08, 132.95 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.49: QB ALA 78 + QD TYR 81 OK 49 90 55 99 3.0-9.0 4686/2.2=65, 2.1/6048=56...(11) HG2 LYS 83 - QD TYR 81 far 5 100 5 - 4.9-10.4 QB ALA 77 - QD TYR 81 far 0 100 0 - 5.2-11.5 HG2 LYS 85 - QD TYR 81 far 0 99 0 - 9.4-15.2 HB3 ARG 69 - QD TYR 81 far 0 76 0 - 9.4-21.6 Violated in 12 structures by 1.35 A. Peak 4686 from anoeabs.peaks (1.38, 6.79, 118.00 ppm; 4.57 A): 1 out of 9 assignments used, quality = 0.54: QB ALA 78 + QE TYR 81 OK 54 97 60 93 2.0-10.8 4685/2.2=78, ~6048=44...(5) QB ALA 77 - QE TYR 81 far 10 100 10 - 4.2-12.8 HG2 LYS 83 - QE TYR 81 far 5 98 5 - 3.0-12.3 HG3 LYS 39 - QE TYR 55 far 0 35 0 - 5.7-7.4 HG3 LYS 39 - QE TYR 81 far 0 65 0 - 5.9-30.0 QB ALA 16 - QE TYR 55 far 0 50 0 - 6.0-18.4 QB ALA 53 - QE TYR 55 far 0 54 0 - 6.9-7.6 HG2 LYS 75 - QE TYR 81 far 0 96 0 - 8.6-21.3 HG3 LYS 75 - QE TYR 81 far 0 96 0 - 9.0-20.8 Violated in 14 structures by 1.65 A. Peak 4687 from anoeabs.peaks (2.75, 6.94, 130.03 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.65: HD2 PRO 34 + QE PHE 35 OK 65 65 100 100 2.6-3.0 4649/2.2=79, 4.1/4583=63...(27) HB2 ASN 42 - QE PHE 35 far 0 99 0 - 8.5-9.8 HB3 ASN 42 - QE PHE 35 far 0 97 0 - 10.0-11.4 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 = 0.96: HG LEU 57 + QE PHE 35 OK 96 97 100 100 2.5-3.3 ~4591=56, 2.1/4577=47...(20) HB2 LEU 64 - QE PHE 35 far 0 63 0 - 6.5-8.3 HG13 ILE 68 - QE PHE 35 far 0 83 0 - 6.7-8.1 HB2 MET 31 - QE PHE 35 far 0 99 0 - 7.3-8.2 HB3 ARG 66 - QE PHE 35 far 0 100 0 - 8.3-9.6 HB VAL 41 - QE PHE 35 far 0 93 0 - 9.2-9.7 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 97 99 100 99 3.2-5.8 ~4718=68, ~4716=51...(10) HB VAL 65 + HZ PHE 35 OK 90 91 100 99 4.0-4.9 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): 2 out of 10 assignments used, quality = 0.70: HG2 PRO 34 + QE TYR 55 OK 49 52 95 99 3.9-5.7 4246/2.2=52, ~4666=40...(16) HB2 ARG 54 + QE TYR 55 OK 42 42 100 100 2.8-3.7 ~4634=54, 1.8/4970=46...(20) HB3 ARG 82 - QE TYR 81 far 11 76 15 - 3.3-6.7 HB3 LYS 83 - QE TYR 81 far 7 71 10 - 4.6-11.3 HB2 ARG 84 - QE TYR 81 far 0 90 0 - 5.9-14.3 HB2 LEU 43 - QE TYR 81 far 0 87 0 - 6.8-27.6 HB2 LEU 57 - QE TYR 55 far 0 40 0 - 7.3-8.7 HB ILE 33 - QE TYR 55 far 0 37 0 - 7.6-8.6 HB2 LEU 43 - QE TYR 55 far 0 50 0 - 7.9-9.2 HB3 LYS 85 - QE TYR 81 far 0 83 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.960 Average number of used assignments : 1.993 Average rank of reference assignment: 1.191 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.30 A Atom Residue Shift Peaks Used Expect HE ARG 54 7.264 32 3 11 Peaks: selected : 5180 in nnoeabs.peaks : 1097 in cnoeabs.peaks : 3933 in anoeabs.peaks : 150 assigned : 5110 unassigned : 70 without assignment possibility : 23 with violation below 0.5 A : 6 with violation between 0.5 and 3.0 A : 34 with violation above 3.0 A : 7 in nnoeabs.peaks : 9 in cnoeabs.peaks : 58 in anoeabs.peaks : 3 with diagonal assignment : 612 Cross peaks: with off-diagonal assignment : 4498 with unique assignment : 2414 with short-range assignment |i-j|<=1: 3410 with medium-range assignment 1<|i-j|<5 : 703 with long-range assignment |i-j|>=5: 385 Comparison with reference assignment: Cross peaks with reference assignment : 2952 with identical reference assignment : 1417 with compatible reference assignment : 2804 with incompatible reference assignment : 18 with additional reference assignment : 7 with additional assignment : 1676