Peak 2 from nnoeabs.peaks (4.38, 8.24, 125.71 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + H ALA 12 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 8 from nnoeabs.peaks (4.26, 8.27, 122.13 ppm; 3.05 A): 1 out of 6 assignments used, quality = 0.68: * HA ALA 12 + H LYS 13 OK 68 100 100 68 2.1-2.8 3704=67, 3464/471=3 HA THR 15 - H LYS 13 far 0 96 0 - 5.8-8.0 HA ARG 17 - H LYS 13 far 0 83 0 - 7.6-14.7 HA LYS 39 - H LYS 13 far 0 99 0 - 9.2-34.9 HA GLU 19 - H LYS 13 far 0 100 0 - 9.4-21.9 HA ALA 20 - H LYS 13 far 0 100 0 - 9.5-25.2 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 5 assignments used, quality = 1.00: * QB ALA 12 + H LYS 13 OK 100 100 100 100 2.0-3.7 3.6=100 HG3 LYS 32 - H LYS 13 far 5 100 5 - 5.3-27.3 QB ALA 16 - H LYS 13 far 3 65 5 - 4.7-10.1 QB ALA 28 - H LYS 13 far 0 99 0 - 7.8-22.6 HB2 LEU 51 - H LYS 13 far 0 97 0 - 9.9-37.7 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 2 assignments used, quality = 0.75: * HA PRO 14 + H THR 15 OK 75 100 100 75 2.1-3.4 3.6=70, 3.8/5906=9, 3.8/5906=9 HA ASP 67 - H THR 15 far 0 78 0 - 9.2-31.2 Violated in 1 structures by 0.01 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 5 assignments used, quality = 1.00: * HB3 PRO 14 + H THR 15 OK 100 100 100 100 2.5-4.5 4.0=100 HB2 GLU 19 - H THR 15 far 0 76 0 - 6.6-16.7 HB3 ARG 26 - H THR 15 far 0 99 0 - 8.8-24.4 HB2 ARG 26 - H THR 15 far 0 99 0 - 9.5-25.4 HB2 MET 11 - H THR 15 far 0 100 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 18 from nnoeabs.peaks (4.25, 8.36, 126.99 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 15 + H ALA 16 OK 100 100 100 100 2.1-3.5 3.6=100 HA GLU 19 - H ALA 16 far 5 97 5 - 4.1-12.2 HA ALA 12 - H ALA 16 far 0 96 0 - 6.6-12.8 HA ALA 20 - H ALA 16 far 0 92 0 - 6.7-15.7 HA LYS 39 - H ALA 16 far 0 100 0 - 6.8-27.6 HB THR 37 - H ALA 16 far 0 76 0 - 8.7-21.4 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 2.1-4.5 4.4=100 HA LEU 29 - H ALA 16 poor 20 99 20 - 5.5-25.3 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 2.1-4.3 4.2=100 QG2 THR 37 - H ALA 16 far 8 83 10 - 6.0-17.2 HG13 ILE 33 - H ALA 16 far 0 63 0 - 8.3-21.4 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...(7) HA PRO 34 - H ARG 17 far 0 99 0 - 6.7-27.5 Violated in 3 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 9 87 10 - 4.9-11.3 QB ALA 28 - H ARG 17 far 0 81 0 - 6.6-16.7 QB ALA 12 - H ARG 17 far 0 65 0 - 7.7-14.1 QB ALA 78 - H ARG 17 far 0 63 0 - 10.0-30.5 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 2.2-3.6 3.6=98, 4800/3.0=7...(8) HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.5 3.6=98, 4800/3.0=7...(8) HA3 GLY 21 - H GLU 19 far 0 76 0 - 5.6-9.0 HA2 GLY 21 - H GLU 19 far 0 73 0 - 6.3-9.1 HA THR 37 - H GLU 19 far 0 99 0 - 7.6-19.5 HA ALA 28 - H GLU 19 far 0 57 0 - 9.8-17.6 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: * HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.5 3.6=98, 4800/3.0=7...(8) HA2 GLY 18 + H GLU 19 OK 98 100 100 98 2.2-3.6 3.6=98, 4800/3.0=7...(8) HA3 GLY 21 - H GLU 19 far 0 78 0 - 5.6-9.0 HA2 GLY 21 - H GLU 19 far 0 76 0 - 6.3-9.1 HA THR 37 - H GLU 19 far 0 99 0 - 7.6-19.5 HA ALA 28 - H GLU 19 far 0 60 0 - 9.8-17.6 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 9 assignments used, quality = 1.00: HA ALA 20 + H ALA 20 OK 100 100 100 100 2.3-2.9 3.0=100 * HA GLU 19 + H ALA 20 OK 92 100 100 92 2.2-3.6 3.6=80, 3.0/29=28...(10) HA LYS 75 - H ALA 20 far 5 95 5 - 4.6-29.8 HA ASP 38 - H ALA 20 far 4 78 5 - 4.5-17.8 HA ARG 17 - H ALA 20 far 0 81 0 - 6.0-10.1 HA THR 15 - H ALA 20 far 0 97 0 - 7.4-16.8 HA ALA 77 - H ALA 20 far 0 73 0 - 9.1-32.1 HA LYS 39 - H ALA 20 far 0 99 0 - 9.1-21.2 HA ALA 12 - H ALA 20 far 0 100 0 - 9.8-26.4 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 7 assignments used, quality = 1.00: * HB2 GLU 19 + H ALA 20 OK 100 100 100 100 2.2-4.6 4.6=100 HB3 ARG 26 - H ALA 20 far 6 60 10 - 5.5-14.3 HB VAL 41 - H ALA 20 far 0 83 0 - 7.4-20.9 HG12 ILE 40 - H ALA 20 far 0 100 0 - 8.6-20.3 HG13 ILE 68 - H ALA 20 far 0 93 0 - 8.7-19.6 HB ILE 68 - H ALA 20 far 0 95 0 - 9.1-20.0 HB3 PRO 14 - H ALA 20 far 0 76 0 - 9.8-20.9 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 2.0-4.4 4.6=92, 3.0/27=40...(15) HB2 GLU 25 - H ALA 20 poor 9 92 40 25 4.1-10.6 4167/2.9=7, ~4167=6...(6) HB3 GLU 25 - H ALA 20 poor 8 90 35 25 4.4-11.9 4167/2.9=8, ~4167=5...(6) HB VAL 76 - H ALA 20 far 0 99 0 - 7.5-31.0 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: * HG2 GLU 19 + H ALA 20 OK 97 100 100 97 2.1-5.2 3.0/29=64, 1210/3.6=40...(14) HG3 GLU 19 + H ALA 20 OK 97 100 100 97 2.8-6.0 3.0/29=64, 1210/3.6=40...(14) HG2 GLU 25 - H ALA 20 poor 9 63 45 30 3.3-11.4 ~5512=8, 5514/2.9=7...(6) 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: HG2 GLU 19 + H ALA 20 OK 97 100 100 97 2.1-5.2 3.0/29=64, 1210/3.6=40...(14) * HG3 GLU 19 + H ALA 20 OK 97 100 100 97 2.8-6.0 3.0/29=64, 1210/3.6=40...(14) HG2 GLU 25 - H ALA 20 poor 9 63 45 30 3.3-11.4 ~5512=8, 5514/2.9=7...(6) 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 6 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 poor 12 100 35 35 4.2-6.7 498/4.5=22, 6143/3.6=14, 1146=3 HA LYS 75 - H GLY 21 far 0 89 0 - 5.7-26.1 HA ARG 17 - H GLY 21 far 0 89 0 - 7.4-13.3 HA ASP 38 - H GLY 21 far 0 87 0 - 7.8-14.7 HA THR 15 - H GLY 21 far 0 92 0 - 8.5-20.2 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 2.0-3.7 3.6=100 QB ALA 16 - H GLY 21 far 13 87 15 - 4.7-14.2 HG3 LYS 75 - H GLY 21 far 10 96 10 - 4.6-26.6 QB ALA 78 - H GLY 21 far 5 97 5 - 4.6-25.2 HG2 LYS 75 - H GLY 21 far 5 96 5 - 3.8-26.3 QB ALA 77 - H GLY 21 far 0 100 0 - 8.9-25.0 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 8 assignments used, quality = 1.00: * HA2 GLY 21 + H SER 22 OK 100 100 100 100 2.2-3.6 3.5=100 HA3 GLY 21 + H SER 22 OK 100 100 100 100 2.1-3.6 3.5=100 HA3 GLY 18 - H SER 22 far 0 76 0 - 5.3-12.8 HA2 GLY 18 - H SER 22 far 0 73 0 - 6.9-13.6 HA VAL 76 - H SER 22 far 0 90 0 - 8.3-24.3 HA2 GLY 72 - H SER 22 far 0 97 0 - 8.5-13.7 HA THR 37 - H SER 22 far 0 90 0 - 8.8-13.0 HA ALA 28 - H SER 22 far 0 99 0 - 9.7-12.8 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 8 assignments used, quality = 1.00: * HA3 GLY 21 + H SER 22 OK 100 100 100 100 2.1-3.6 3.5=100 HA2 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 78 0 - 5.3-12.8 HA2 GLY 18 - H SER 22 far 0 76 0 - 6.9-13.6 HA VAL 76 - H SER 22 far 0 89 0 - 8.3-24.3 HA2 GLY 72 - H SER 22 far 0 96 0 - 8.5-13.7 HA THR 37 - H SER 22 far 0 92 0 - 8.8-13.0 HA ALA 28 - H SER 22 far 0 99 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 39 from nnoeabs.peaks (4.45, 8.49, 122.99 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 22 + H ARG 23 OK 100 100 100 100 2.3-3.5 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 2.5-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 43 from nnoeabs.peaks (4.13, 8.34, 120.23 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 23 + H ASP 24 OK 100 100 100 100 3.4-3.6 3.6=100 HA ARG 27 - H ASP 24 far 0 97 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 44 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 3 out of 7 assignments used, quality = 1.00: HB3 ARG 23 + H ASP 24 OK 92 100 100 92 2.3-3.9 4.2=70, 1287/4.9=19...(15) * HB2 ARG 23 + H ASP 24 OK 92 100 100 92 2.3-4.1 4.2=70, 1286/4.9=19...(15) HB2 ARG 27 + H ASP 24 OK 31 99 50 62 4.7-7.6 4157/3.0=19, 3734=11...(13) HB3 ARG 71 - H ASP 24 far 10 99 10 - 4.2-12.3 HB2 LYS 75 - H ASP 24 far 5 100 5 - 3.7-20.7 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.6-8.3 HB2 ARG 71 - H ASP 24 far 0 99 0 - 5.6-11.5 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 23 + H ASP 24 OK 92 100 100 92 2.3-3.9 4.2=70, 1287/4.9=19...(15) HB2 ARG 23 + H ASP 24 OK 92 100 100 92 2.3-4.1 4.2=70, 1287/4.9=19...(15) HB2 ARG 27 + H ASP 24 OK 31 100 50 62 4.7-7.6 4157/3.0=19, 3734=11...(13) HB3 ARG 71 - H ASP 24 far 10 99 10 - 4.2-12.3 HB2 LYS 75 - H ASP 24 far 5 100 5 - 3.7-20.7 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.6-8.3 HB2 ARG 71 - H ASP 24 far 0 100 0 - 5.6-11.5 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 3 assignments used, quality = 0.99: * H ASP 24 + H GLU 25 OK 99 100 100 99 2.3-2.8 4.6=84, 518/53=65...(11) H GLU 19 - H GLU 25 far 5 93 5 - 5.8-13.2 H ALA 16 - H GLU 25 far 0 90 0 - 9.5-22.2 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 4 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 = 0.85: * HB3 ASP 24 + H GLU 25 OK 85 100 100 85 2.9-3.9 4.5=61, 518/50=44...(9) Violated in 3 structures by 0.00 A. Peak 54 from nnoeabs.peaks (8.20, 8.13, 119.29 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: * H GLU 25 + H ARG 26 OK 95 100 100 95 2.3-3.0 904=67, 3.6/4169=28...(12) H ALA 28 + H ARG 26 OK 75 96 100 78 4.0-4.8 4.6/5380=33, 3.6/5345=22...(13) H ARG 27 + H ARG 26 OK 72 76 100 95 2.6-2.9 5380=76, 3.0/5345=26...(17) H SER 22 + H ARG 26 OK 27 97 75 36 3.3-6.5 1346/58=12, 4152/4.7=12...(5) H ALA 77 - H ASN 74 poor 12 34 35 - 4.2-11.0 H GLN 79 - H ASN 74 far 0 48 0 - 7.3-15.0 H ARG 84 - H ARG 26 far 0 100 0 - 8.2-38.0 H GLU 25 - H ASN 74 far 0 58 0 - 9.2-17.3 Violated in 0 structures by 0.00 A. Peak 55 from nnoeabs.peaks (4.09, 8.13, 119.29 ppm; 3.19 A): 3 out of 4 assignments used, quality = 0.99: * HA GLU 25 + H ARG 26 OK 96 100 100 96 3.5-3.6 3.6=72, 2.9/904=40...(16) HA ARG 26 + H ARG 26 OK 83 83 100 100 2.7-2.8 3.0=100 HA ARG 71 + H ASN 74 OK 21 51 75 56 3.3-7.2 16010/4.0=20...(6) HA ARG 27 - H ARG 26 far 0 65 0 - 5.2-5.4 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 9 assignments used, quality = 1.00: * HB2 GLU 25 + H ARG 26 OK 96 100 100 96 2.2-4.1 4.7=40, 3.0/58=36...(18) HB3 GLU 25 + H ARG 26 OK 96 100 100 96 2.2-3.6 4.7=40, 3.0/58=36...(18) HD2 ARG 69 - H ASN 74 far 4 37 10 - 3.4-10.9 HD3 ARG 69 - H ASN 74 far 2 37 5 - 4.7-10.9 HB VAL 76 - H ASN 74 far 0 55 0 - 5.2-8.4 HB3 GLU 19 - H ARG 26 far 0 92 0 - 7.4-14.4 HB VAL 45 - H ASN 74 far 0 52 0 - 8.5-15.9 HB3 MET 31 - H ARG 26 far 0 89 0 - 9.5-11.6 HB3 GLU 19 - H ASN 74 far 0 48 0 - 9.6-26.0 Violated in 0 structures by 0.00 A. Peak 57 from nnoeabs.peaks (2.05, 8.13, 119.29 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: HB2 GLU 25 + H ARG 26 OK 96 100 100 96 2.2-4.1 4.7=40, 3.0/58=36...(18) * HB3 GLU 25 + H ARG 26 OK 96 100 100 96 2.2-3.6 4.7=40, 3.0/58=36...(18) HD2 ARG 69 - H ASN 74 far 4 36 10 - 3.4-10.9 HD3 ARG 69 - H ASN 74 far 2 36 5 - 4.7-10.9 HB VAL 76 - H ASN 74 far 0 54 0 - 5.2-8.4 HB3 GLU 19 - H ARG 26 far 0 90 0 - 7.4-14.4 HB VAL 45 - H ASN 74 far 0 53 0 - 8.5-15.9 HB3 MET 31 - H ARG 26 far 0 90 0 - 9.5-11.6 HB3 GLU 19 - H ASN 74 far 0 47 0 - 9.6-26.0 Violated in 0 structures by 0.00 A. Peak 58 from nnoeabs.peaks (2.26, 8.13, 119.29 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 25 + H ARG 26 OK 100 100 100 100 3.7-4.6 1332/3.6=71, 523/904=62...(13) HG3 GLU 19 - H ARG 26 far 0 63 0 - 6.3-16.4 HG2 GLU 19 - H ARG 26 far 0 63 0 - 6.9-15.8 HB2 PRO 14 - H ARG 26 far 0 89 0 - 7.5-24.8 HG2 GLU 25 - H ASN 74 far 0 58 0 - 9.6-17.3 HG2 GLU 19 - H ASN 74 far 0 30 0 - 10.0-27.6 Violated in 10 structures by 0.02 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 70 83 100 85 3.7-4.6 3.6/5380=58...(11) HA ARG 71 - H ARG 27 far 0 99 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 62 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 4 out of 8 assignments used, quality = 0.99: * HB2 ARG 26 + H ARG 27 OK 81 100 100 81 2.5-3.8 3.9/5380=31, 4.6=26...(17) HB3 ARG 26 + H ARG 27 OK 81 100 100 81 3.1-4.1 3.9/5380=31, 4.6=26...(16) HB3 ARG 27 + H ARG 27 OK 57 68 100 83 2.6-3.6 4.1=38, 1.8/1422=15...(20) HB2 ARG 27 + H ARG 27 OK 55 65 100 84 2.1-3.6 4.1=38, 1.8/1422=15...(21) HB3 ARG 71 - H ARG 27 far 0 68 0 - 7.4-13.3 HB3 PRO 14 - H ARG 27 far 0 99 0 - 7.8-26.9 HB2 ARG 71 - H ARG 27 far 0 65 0 - 8.2-12.3 HB ILE 68 - H ARG 27 far 0 89 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 63 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 4 out of 9 assignments used, quality = 0.99: HB2 ARG 26 + H ARG 27 OK 81 100 100 81 2.5-3.8 3.9/5380=31, 4.6=26...(17) * HB3 ARG 26 + H ARG 27 OK 81 100 100 81 3.1-4.1 3.9/5380=31, 4.6=26...(16) HB3 ARG 27 + H ARG 27 OK 54 65 100 83 2.6-3.6 4.1=38, 1.8/1422=15...(20) HB2 ARG 27 + H ARG 27 OK 52 63 100 84 2.1-3.6 4.1=38, 1.8/1422=15...(21) HB3 ARG 71 - H ARG 27 far 0 65 0 - 7.4-13.3 HB3 PRO 14 - H ARG 27 far 0 99 0 - 7.8-26.9 HB2 ARG 71 - H ARG 27 far 0 63 0 - 8.2-12.3 HB ILE 68 - H ARG 27 far 0 90 0 - 8.2-10.3 HB2 GLU 19 - H ARG 27 far 0 60 0 - 8.9-15.2 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 6 assignments used, quality = 1.00: HG2 ARG 27 + H ARG 27 OK 96 97 100 98 2.0-4.6 5.0=47, 1418/3.0=30...(27) HG3 ARG 27 + H ARG 27 OK 95 97 100 98 2.0-4.5 5.0=47, 1418/3.0=30...(27) * HG2 ARG 26 + H ARG 27 OK 94 100 100 94 1.9-5.3 1.8/65=53, 4.9/5380=40...(20) HG LEU 86 - H ARG 27 far 0 76 0 - 6.7-48.5 HB2 LEU 86 - H ARG 27 far 0 99 0 - 7.6-46.6 HG2 ARG 71 - H ARG 27 far 0 100 0 - 8.3-14.4 Violated in 3 structures by 0.00 A. Peak 65 from nnoeabs.peaks (1.75, 8.18, 120.59 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.97: * HG3 ARG 26 + H ARG 27 OK 97 100 100 97 2.1-4.9 1390/5380=72...(19) HG3 ARG 71 - H ARG 27 far 0 100 0 - 7.8-13.8 HB ILE 33 - H ARG 27 far 0 83 0 - 8.1-9.3 HB2 ARG 84 - H ARG 27 far 0 78 0 - 8.3-41.1 Violated in 6 structures by 0.03 A. Peak 69 from nnoeabs.peaks (4.12, 8.21, 122.47 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 27 + H ALA 28 OK 100 100 100 100 3.4-3.6 3.6=99, 3.0/71=28...(14) HA GLU 25 + H ALA 28 OK 53 65 100 81 3.2-3.9 4181/2.9=27, 3754=20...(15) HA ARG 23 - H ALA 28 far 0 97 0 - 6.2-8.1 HA ALA 30 - H ALA 28 far 0 83 0 - 6.5-7.3 HA GLU 25 - H ARG 84 far 0 50 0 - 8.5-35.3 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 12 assignments used, quality = 1.00: HB3 ARG 27 + H ALA 28 OK 93 100 100 93 2.3-4.2 4.3=51, 3.0/69=34...(17) * HB2 ARG 27 + H ALA 28 OK 93 100 100 93 2.6-3.8 4.3=51, 3.0/69=34...(18) HB2 ARG 26 - H ALA 28 far 10 65 15 - 4.8-5.7 HB3 ARG 26 - H ALA 28 far 0 63 0 - 5.0-6.0 HB3 ARG 23 - H ALA 28 far 0 100 0 - 7.2-9.4 HB2 ARG 23 - H ALA 28 far 0 99 0 - 7.9-9.9 HB3 ARG 71 - H ALA 28 far 0 100 0 - 7.9-13.3 HB2 ARG 71 - H ALA 28 far 0 100 0 - 8.4-12.1 HB2 LYS 75 - H ALA 28 far 0 97 0 - 8.6-22.1 HB2 ARG 17 - H ALA 28 far 0 95 0 - 9.0-18.9 HB2 ARG 26 - H ARG 84 far 0 50 0 - 9.5-41.6 HB2 ARG 66 - H ARG 84 far 0 59 0 - 9.9-33.5 Violated in 1 structures by 0.00 A. Peak 71 from nnoeabs.peaks (1.85, 8.21, 122.47 ppm; 3.47 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 27 + H ALA 28 OK 93 100 100 93 2.3-4.2 4.3=51, 3.0/69=34...(17) HB2 ARG 27 + H ALA 28 OK 93 100 100 93 2.6-3.8 4.3=51, 3.0/69=34...(18) HB2 ARG 26 - H ALA 28 far 10 68 15 - 4.8-5.7 HB3 ARG 26 - H ALA 28 far 0 65 0 - 5.0-6.0 HB3 ARG 23 - H ALA 28 far 0 99 0 - 7.2-9.4 HB2 ARG 23 - H ALA 28 far 0 99 0 - 7.9-9.9 HB3 ARG 71 - H ALA 28 far 0 100 0 - 7.9-13.3 HB2 ARG 71 - H ALA 28 far 0 100 0 - 8.4-12.1 HB2 LYS 75 - H ALA 28 far 0 97 0 - 8.6-22.1 HB2 ARG 17 - H ALA 28 far 0 93 0 - 9.0-18.9 HB2 ARG 26 - H ARG 84 far 0 52 0 - 9.5-41.6 HB2 ARG 66 - H ARG 84 far 0 61 0 - 9.9-33.5 Violated in 1 structures by 0.00 A. Peak 72 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.51 A): 2 out of 11 assignments used, quality = 1.00: HG3 ARG 27 + H ALA 28 OK 97 100 100 97 2.2-5.4 3.8/69=45, 2.9/71=41...(15) * HG2 ARG 27 + H ALA 28 OK 97 100 100 97 2.8-5.2 3.8/69=45, 2.9/71=41...(15) HG2 ARG 26 - H ALA 28 poor 19 97 20 - 4.5-7.3 HB2 LEU 86 - H ALA 28 far 0 89 0 - 6.4-45.2 HG3 ARG 70 - H ARG 84 far 0 67 0 - 6.5-29.1 HB2 LEU 86 - H ARG 84 far 0 71 0 - 6.6-10.3 HD2 LYS 73 - H ARG 84 far 0 63 0 - 8.2-25.6 HG2 ARG 26 - H ARG 84 far 0 81 0 - 8.4-40.3 HB3 GLN 61 - H ALA 28 far 0 63 0 - 8.9-11.1 HG2 ARG 71 - H ALA 28 far 0 96 0 - 9.5-14.2 HD3 LYS 73 - H ARG 84 far 0 63 0 - 9.7-24.8 Violated in 3 structures by 0.01 A. Peak 73 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.51 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 27 + H ALA 28 OK 97 100 100 97 2.2-5.4 3.8/69=45, 2.9/71=41...(15) HG2 ARG 27 + H ALA 28 OK 97 100 100 97 2.8-5.2 3.8/69=45, 2.9/71=41...(15) HG2 ARG 26 - H ALA 28 poor 19 97 20 - 4.5-7.3 HB2 LEU 86 - H ALA 28 far 0 87 0 - 6.4-45.2 HG3 ARG 70 - H ARG 84 far 0 65 0 - 6.5-29.1 HB2 LEU 86 - H ARG 84 far 0 69 0 - 6.6-10.3 HD2 LYS 73 - H ARG 84 far 0 61 0 - 8.2-25.6 HG2 ARG 26 - H ARG 84 far 0 80 0 - 8.4-40.3 HB3 GLN 61 - H ALA 28 far 0 65 0 - 8.9-11.1 HG2 ARG 71 - H ALA 28 far 0 95 0 - 9.5-14.2 HD3 LYS 73 - H ARG 84 far 0 61 0 - 9.7-24.8 Violated in 3 structures by 0.01 A. Peak 76 from nnoeabs.peaks (8.21, 7.95, 119.22 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.99: * H ALA 28 + H LEU 29 OK 99 100 100 99 2.4-3.0 907=95, 2.9/78=58...(14) H GLU 25 - H LEU 29 far 0 96 0 - 6.0-6.9 H SER 22 - H LEU 29 far 0 100 0 - 7.1-11.5 H THR 15 - H LEU 29 far 0 98 0 - 7.8-20.2 H ALA 12 - H LEU 29 far 0 68 0 - 9.8-30.0 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 3.4-3.6 3.6=100 HA LYS 32 - H LEU 29 far 4 85 5 - 5.1-6.8 HA3 GLY 21 - H LEU 29 far 0 99 0 - 6.2-12.2 HA3 GLY 18 - H LEU 29 far 0 60 0 - 6.5-16.9 HA2 GLY 21 - H LEU 29 far 0 99 0 - 6.9-12.6 HA THR 37 - H LEU 29 far 0 78 0 - 7.6-9.9 HA2 GLY 18 - H LEU 29 far 0 57 0 - 7.8-17.3 HA GLN 61 - H LEU 29 far 0 99 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (1.34, 7.95, 119.22 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.97: * QB ALA 28 + H LEU 29 OK 97 100 100 97 2.1-3.0 3.6=73, 2.9/76=47...(13) QB ALA 16 - H LEU 29 far 4 81 5 - 3.2-19.5 QB ALA 12 - H LEU 29 far 0 99 0 - 6.0-24.9 HG3 LYS 32 - H LEU 29 far 0 97 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 79 from nnoeabs.peaks (7.95, 7.98, 123.05 ppm; 2.72 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 29 + H ALA 30 OK 100 100 100 100 2.4-2.9 908=100, 546/3764=31...(15) H LYS 32 + H ALA 30 OK 54 97 95 59 3.7-4.2 89/86=25, 4205/3.0=13...(11) Violated in 4 structures by 0.01 A. Peak 80 from nnoeabs.peaks (4.16, 7.98, 123.05 ppm; 3.34 A): 2 out of 4 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...(16) HA ALA 30 + H ALA 30 OK 71 71 100 100 2.8-2.9 3.0=100 HA ILE 89 - H ALA 30 far 0 98 0 - 6.5-55.1 HB THR 15 - H ALA 30 far 0 99 0 - 6.7-22.0 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 2.5-4.0 3764=100, 546/908=78...(18) HB3 LEU 64 - H ALA 30 far 0 85 0 - 7.5-9.2 HB3 ARG 17 - H ALA 30 far 0 65 0 - 8.8-22.5 Violated in 4 structures by 0.06 A. Peak 82 from nnoeabs.peaks (1.58, 7.98, 123.05 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + H ALA 30 OK 100 100 100 100 3.2-4.1 1.8/3764=76, 547/908=71...(18) HG LEU 86 - H ALA 30 far 0 87 0 - 7.3-50.9 HB3 LEU 86 - H ALA 30 far 0 89 0 - 7.4-49.2 Violated in 11 structures by 0.13 A. Peak 83 from nnoeabs.peaks (1.67, 7.98, 123.05 ppm; 3.91 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 29 + H ALA 30 OK 100 100 100 100 1.9-4.3 548/908=83, 3766=80...(17) HD2 LYS 13 - H ALA 30 poor 20 98 20 - 4.7-25.6 HB3 LYS 13 - H ALA 30 far 15 99 15 - 4.6-25.7 HD3 LYS 13 - H ALA 30 poor 5 98 25 22 4.2-25.3 5329/3768=16, 4842/3.0=4 HG2 ARG 23 - H ALA 30 far 0 100 0 - 6.6-12.6 HB3 LEU 64 - H ALA 30 far 0 76 0 - 7.5-9.2 HB3 GLN 61 - H ALA 30 far 0 92 0 - 8.8-11.3 Violated in 8 structures by 0.14 A. Peak 84 from nnoeabs.peaks (0.88, 7.98, 123.05 ppm; 4.70 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + H ALA 30 OK 100 100 100 100 2.3-4.8 2.1/83=85, 549/908=85...(17) QD1 LEU 86 - H ALA 30 far 5 99 5 - 4.2-43.1 QG1 VAL 90 - H ALA 30 far 4 83 5 - 5.5-47.8 QG2 VAL 90 - H ALA 30 far 0 85 0 - 8.1-49.1 Violated in 8 structures by 0.02 A. Peak 85 from nnoeabs.peaks (0.84, 7.98, 123.05 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H ALA 30 OK 100 100 100 100 3.4-4.4 3768=88, 2.1/83=82...(25) QD2 LEU 64 + H ALA 30 OK 91 100 95 96 4.7-6.1 5162/5535=52...(12) QG2 ILE 89 - H ALA 30 far 5 100 5 - 5.6-48.2 QD2 LEU 86 - H ALA 30 far 5 96 5 - 4.9-42.5 Violated in 0 structures by 0.00 A. Peak 86 from nnoeabs.peaks (7.98, 7.71, 115.23 ppm; 3.47 A): 1 out of 2 assignments 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...(12) H ALA 63 - H MET 31 far 0 100 0 - 9.3-11.8 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 5 assignments used, quality = 1.00: * HA ALA 30 + H MET 31 OK 100 100 100 100 3.3-3.6 3.6=100 HA LEU 29 + H MET 31 OK 64 71 100 91 3.7-4.8 3.6/86=48, 3.0/5525=33...(9) HA ARG 27 + H MET 31 OK 59 83 95 74 3.9-5.1 4807/3.6=40, 5518=26...(6) HA ARG 23 - H MET 31 far 0 98 0 - 9.4-12.1 HA GLN 91 - H MET 31 far 0 100 0 - 9.8-59.8 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 6 assignments used, quality = 1.00: * QB ALA 30 + H MET 31 OK 99 100 100 99 2.5-3.3 3.6=83, 553/86=53...(16) HG12 ILE 33 + H MET 31 OK 55 100 65 85 3.4-6.0 574/5544=27, 2.1/5550=18...(14) HG3 LYS 13 - H MET 31 far 0 97 0 - 5.5-25.9 HG2 LYS 13 - H MET 31 far 0 78 0 - 7.0-26.3 HG13 ILE 89 - H MET 31 far 0 99 0 - 8.3-54.9 HB3 LEU 57 - H MET 31 far 0 76 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 89 from nnoeabs.peaks (7.71, 7.94, 118.73 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + H LYS 32 OK 100 100 100 100 2.0-2.6 3.0/90=57, 910=52...(21) H GLN 61 - H LYS 32 far 0 71 0 - 7.9-10.6 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 3.2-3.5 3.6=95, 3.0/89=53...(10) 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 3.0-4.1 4.7=100 HB2 GLU 19 - H LYS 32 far 0 68 0 - 7.4-21.4 HG13 ILE 68 - H LYS 32 far 0 96 0 - 9.2-12.0 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 5 assignments used, quality = 1.00: * HB3 MET 31 + H LYS 32 OK 100 100 100 100 3.4-4.4 4.7=100 HB2 GLU 25 - H LYS 32 far 0 89 0 - 8.7-12.0 HB3 GLU 25 - H LYS 32 far 0 90 0 - 9.1-11.2 HB3 GLN 91 - H LYS 32 far 0 57 0 - 9.6-60.9 HG3 PRO 56 - H LYS 32 far 0 83 0 - 10.0-14.0 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...(10) HA ALA 28 + H ILE 33 OK 72 85 100 85 3.6-4.3 2.1/5303=48...(11) HA GLN 61 - H ILE 33 far 0 96 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 97 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.4-2.7 1651=69, 3.0/574=43...(15) * HB2 LYS 32 + H ILE 33 OK 84 100 95 88 3.8-4.6 3.0/3776=49, 4.3=38...(11) HB3 LYS 32 + H ILE 33 OK 78 100 90 87 3.9-4.7 3.0/3776=49, 4.3=38...(9) HB2 LYS 13 - H ILE 33 far 0 90 0 - 6.5-26.8 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.6-7.0 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.6-7.6 HB3 ARG 17 - H ILE 33 far 0 57 0 - 7.7-24.3 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.1-10.9 HB3 LYS 39 - H ILE 33 far 0 98 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 98 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.4-2.7 1651=69, 3.0/574=43...(15) HB2 LYS 32 + H ILE 33 OK 84 100 95 88 3.8-4.6 3.0/3776=49, 4.3=38...(11) * HB3 LYS 32 + H ILE 33 OK 78 100 90 87 3.9-4.7 3.0/3776=49, 4.3=38...(9) HB2 LYS 13 - H ILE 33 far 0 90 0 - 6.5-26.8 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.6-7.0 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.6-7.6 HB3 ARG 17 - H ILE 33 far 0 57 0 - 7.7-24.3 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.1-10.9 HB3 LYS 39 - H ILE 33 far 0 98 0 - 9.9-13.8 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 = 1.00: * HG2 LYS 32 + H ILE 33 OK 100 100 100 100 4.2-4.8 3779=93, 1558/3776=72...(7) QG2 THR 58 - H ILE 33 far 0 60 0 - 7.3-10.6 Violated in 19 structures by 0.26 A. Peak 100 from nnoeabs.peaks (1.33, 7.91, 120.59 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 28 + H ILE 33 OK 97 97 100 100 3.2-4.4 5303=97, 4219/1651=57...(10) * HG3 LYS 32 + H ILE 33 OK 97 100 100 97 4.9-5.6 1.8/99=70, 1559/3776=65...(7) QG2 THR 58 - H ILE 33 far 0 90 0 - 7.3-10.6 QB ALA 12 - H ILE 33 far 0 100 0 - 8.2-22.5 Violated in 2 structures by 0.00 A. Peak 105 from nnoeabs.peaks (4.32, 6.31, 116.43 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + H PHE 35 OK 100 100 100 100 2.9-3.6 3.6=100 HA ALA 16 - H PHE 35 far 0 99 0 - 7.3-22.7 Violated in 0 structures by 0.00 A. Peak 106 from nnoeabs.peaks (1.78, 6.31, 116.43 ppm; 4.24 A): 3 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + H PHE 35 OK 100 100 100 100 2.8-4.6 4.0=100 HB ILE 33 + H PHE 35 OK 96 97 100 100 2.9-4.6 2.1/4248=94, 5547=45...(14) HG2 PRO 34 + H PHE 35 OK 82 83 100 99 1.9-5.4 2.3/110=68, 1.8/5564=46...(15) HB3 LYS 39 - H PHE 35 far 15 100 15 - 5.5-9.2 HB2 LYS 32 - H PHE 35 far 0 99 0 - 6.6-9.1 HB3 LYS 32 - H PHE 35 far 0 99 0 - 6.7-9.6 HB2 LEU 57 - H PHE 35 far 0 95 0 - 7.5-10.2 HB2 ARG 54 - H PHE 35 far 0 93 0 - 7.5-13.6 HB2 LYS 13 - H PHE 35 far 0 97 0 - 9.3-28.3 Violated in 0 structures by 0.00 A. Peak 108 from nnoeabs.peaks (1.76, 6.31, 116.43 ppm; 4.14 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 34 + H PHE 35 OK 99 100 100 99 1.9-5.4 2.3/110=64, 1.8/5564=43...(15) HB ILE 33 + H PHE 35 OK 98 98 100 99 2.9-4.6 2.1/4248=92, 5547=42...(13) HB2 PRO 34 + H PHE 35 OK 83 83 100 100 2.8-4.6 4.0=100 HB3 LYS 39 - H PHE 35 far 8 76 10 - 5.5-9.2 HB3 ARG 17 - H PHE 35 far 0 90 0 - 6.0-25.0 HB2 LYS 32 - H PHE 35 far 0 93 0 - 6.6-9.1 HB3 LYS 32 - H PHE 35 far 0 93 0 - 6.7-9.6 HB2 LEU 57 - H PHE 35 far 0 99 0 - 7.5-10.2 HB2 ARG 54 - H PHE 35 far 0 99 0 - 7.5-13.6 Violated in 0 structures by 0.00 A. Peak 109 from nnoeabs.peaks (1.04, 6.31, 116.43 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + H PHE 35 OK 99 100 100 99 1.9-4.3 2.3/110=74, 5564=54...(14) QD1 ILE 40 + H PHE 35 OK 81 95 90 95 4.2-6.1 4300/4248=69...(14) Violated in 0 structures by 0.00 A. Peak 110 from nnoeabs.peaks (2.72, 6.31, 116.43 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + H PHE 35 OK 100 100 100 100 2.7-4.5 4215/4248=73, 5553=51...(13) Violated in 1 structures by 0.01 A. Peak 111 from nnoeabs.peaks (3.54, 6.31, 116.43 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + H PHE 35 OK 100 100 100 100 3.8-4.6 1.8/110=84, 4214/4248=73...(12) HD3 PRO 36 + H PHE 35 OK 68 68 100 100 4.6-5.1 4.8=90, 4251/3.0=79...(16) 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 2.3-2.7 3794=89, 4290/119=25...(7) Violated in 0 structures by 0.00 A. Peak 113 from nnoeabs.peaks (2.12, 8.81, 115.67 ppm; 4.00 A): 3 out of 3 assignments used, quality = 1.00: * HB2 PRO 36 + H THR 37 OK 100 100 100 100 2.0-2.9 4.0=100 HG3 PRO 36 + H THR 37 OK 50 60 100 84 4.5-5.3 3.8/112=61, 1.8/3797=23...(7) HB ILE 40 + H THR 37 OK 39 100 40 97 5.1-6.5 4309/3.0=59, 3.2/5587=38...(12) 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 3.2-3.6 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): 2 out of 3 assignments used, quality = 0.99: * HG2 PRO 36 + H THR 37 OK 92 100 100 92 3.9-5.1 3.8/112=66, 3797=27...(7) HG3 PRO 36 + H THR 37 OK 92 100 100 92 4.5-5.3 3.8/112=66, 3798=27...(7) HB3 MET 31 - H THR 37 far 0 76 0 - 9.6-11.9 Violated in 15 structures by 0.07 A. Peak 116 from nnoeabs.peaks (2.10, 8.81, 115.67 ppm; 4.20 A): 4 out of 5 assignments used, quality = 1.00: * HG3 PRO 36 + H THR 37 OK 92 100 100 92 4.5-5.3 3.8/112=66, 3798=27...(7) HG2 PRO 36 + H THR 37 OK 92 100 100 92 3.9-5.1 3.8/112=66, 3797=27...(7) HB2 PRO 36 + H THR 37 OK 60 60 100 100 2.0-2.9 4.0=100 HB ILE 40 + H THR 37 OK 40 63 65 97 5.1-6.5 3.2/5587=42, 4309/3.0=40...(12) HB3 MET 31 - H THR 37 far 0 71 0 - 9.6-11.9 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...(10) 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 5 99 5 - 5.0-21.2 HA2 GLY 18 - H ASP 38 far 5 99 5 - 3.8-21.2 HA2 GLY 72 - H ASP 38 far 0 65 0 - 7.1-10.7 HA3 GLY 21 - H ASP 38 far 0 92 0 - 8.3-14.2 HA ALA 28 - H ASP 38 far 0 78 0 - 8.8-10.0 HA2 GLY 21 - H ASP 38 far 0 90 0 - 9.0-14.7 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 3.8-4.2 3800=70, 3.8/119=46...(7) HA LYS 39 - H ASP 38 far 0 65 0 - 5.2-5.5 HA THR 15 - H ASP 38 far 0 76 0 - 6.7-24.0 HA LYS 85 - H ASP 38 far 0 99 0 - 7.5-37.7 HA LYS 75 - H ASP 38 far 0 81 0 - 9.9-19.0 Violated in 20 structures by 0.36 A. Peak 122 from nnoeabs.peaks (1.17, 8.70, 119.49 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 37 + H ASP 38 OK 100 100 100 100 1.9-3.6 4.1=100 QG2 THR 15 - H ASP 38 far 0 83 0 - 6.7-21.1 HG12 ILE 89 - H ASP 38 far 0 60 0 - 10.0-45.6 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 2.6-3.0 913=100, 4888/127=36...(14) 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 2.8-2.9 3.0=100 HA GLU 19 - H LYS 39 far 0 78 0 - 7.3-20.9 HA ARG 17 - H LYS 39 far 0 100 0 - 7.6-23.2 HA ALA 20 - H LYS 39 far 0 87 0 - 9.0-17.8 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: * HB2 ASP 38 + H LYS 39 OK 95 100 100 95 2.2-4.0 4.7=70, 4.0/913=56...(11) HB3 ASP 38 + H LYS 39 OK 95 100 100 95 2.5-4.2 4.7=70, 4.0/913=56...(11) Violated in 0 structures by 0.00 A. Peak 126 from nnoeabs.peaks (2.62, 7.39, 117.25 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 38 + H LYS 39 OK 95 100 100 95 2.2-4.0 4.7=70, 4.0/913=56...(11) * HB3 ASP 38 + H LYS 39 OK 95 100 100 95 2.5-4.2 4.7=70, 4.0/913=56...(11) 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 2.1-2.8 914=100, 593/129=46...(13) Violated in 0 structures by 0.00 A. Peak 128 from nnoeabs.peaks (4.25, 7.24, 115.36 ppm; 4.01 A): 3 out of 7 assignments used, quality = 1.00: * HA LYS 39 + H ILE 40 OK 100 100 100 100 3.3-3.5 3.6=100 HA ASP 38 + H ILE 40 OK 57 60 100 95 3.5-4.6 3.6/914=59, 3.0/4888=45...(10) HB THR 37 + H ILE 40 OK 26 65 45 90 4.9-5.9 3.0/4308=59, 4.4/4888=34...(9) HA THR 15 - H ILE 40 far 0 100 0 - 7.1-26.7 HA ALA 20 - H ILE 40 far 0 97 0 - 9.1-19.1 HA GLU 19 - H ILE 40 far 0 99 0 - 9.2-22.1 HA ARG 17 - H ILE 40 far 0 63 0 - 9.9-24.2 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 6 assignments used, quality = 0.98: * HB2 LYS 39 + H ILE 40 OK 98 100 100 98 2.9-4.1 1.8/130=62, 4.4=62...(14) HB2 ARG 17 - H ILE 40 far 0 92 0 - 8.9-25.1 HB2 ARG 71 - H ILE 40 far 0 100 0 - 9.2-13.1 HB2 LYS 75 - H ILE 40 far 0 96 0 - 9.3-19.5 HB3 ARG 71 - H ILE 40 far 0 100 0 - 9.9-14.7 HB3 PRO 34 - H ILE 40 far 0 85 0 - 10.0-12.4 Violated in 9 structures by 0.10 A. Peak 130 from nnoeabs.peaks (1.78, 7.24, 115.36 ppm; 4.16 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 39 + H ILE 40 OK 100 100 100 100 3.1-4.2 1.8/129=86, 4.4=86...(17) HB2 ARG 69 - H ILE 40 far 0 83 0 - 6.0-8.6 HB3 LYS 73 - H ILE 40 far 0 100 0 - 7.7-12.3 HB2 LYS 13 - H ILE 40 far 0 99 0 - 8.1-29.0 HB ILE 33 - H ILE 40 far 0 93 0 - 8.1-9.5 HG2 PRO 34 - H ILE 40 far 0 76 0 - 8.7-11.6 HB2 PRO 34 - H ILE 40 far 0 100 0 - 9.7-11.9 HB3 LYS 75 - H ILE 40 far 0 100 0 - 9.8-18.6 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 2 assignments used, quality = 1.00: * H ILE 40 + H VAL 41 OK 100 100 100 100 2.2-3.1 915=100, 1929/139=44...(16) H ASP 47 - H VAL 41 far 0 71 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 138 from nnoeabs.peaks (3.63, 7.63, 114.41 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + H VAL 41 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 69 + H VAL 41 OK 87 100 100 88 3.5-5.4 4769/4.4=27, 5130/4.0=26...(10) HA VAL 65 - H VAL 41 far 0 100 0 - 6.9-8.7 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 2.1-3.0 3815=73, 2.1/3816=50...(18) HB2 PRO 36 - H VAL 41 far 0 100 0 - 6.6-7.3 HG3 PRO 36 - H VAL 41 far 0 63 0 - 7.1-8.9 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 8 assignments used, quality = 1.00: * QG2 ILE 40 + H VAL 41 OK 97 100 100 97 2.9-3.9 2.1/139=48, 5210/3.0=35...(18) QG2 VAL 41 + H VAL 41 OK 95 100 100 95 1.9-2.4 4.0=42, 2.1/610=35...(19) QG2 VAL 76 - H VAL 41 far 0 98 0 - 4.9-15.5 QG1 VAL 76 - H VAL 41 far 0 98 0 - 5.2-13.2 QD2 LEU 43 - H VAL 41 far 0 92 0 - 6.0-7.2 HG12 ILE 68 - H VAL 41 far 0 98 0 - 6.3-9.0 QD1 LEU 64 - H VAL 41 far 0 71 0 - 8.1-10.4 QD2 LEU 62 - H VAL 41 far 0 100 0 - 10.0-13.2 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 7 assignments used, quality = 0.99: * HG12 ILE 40 + H VAL 41 OK 97 100 100 97 3.9-4.4 2.9/139=47, 605/915=46...(13) HB VAL 41 + H VAL 41 OK 65 71 100 92 2.5-2.8 3.9=60, 2.1/612=35...(10) HB ILE 68 - H VAL 41 far 0 99 0 - 5.0-7.3 HG13 ILE 68 - H VAL 41 far 0 85 0 - 6.9-9.5 HB3 PRO 14 - H VAL 41 far 0 87 0 - 8.3-30.4 HB2 GLU 19 - H VAL 41 far 0 100 0 - 8.8-23.5 HB2 ARG 66 - H VAL 41 far 0 60 0 - 9.7-11.8 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 4.8-5.0 2.9/139=87, 606/915=79...(12) HG2 ARG 69 + H VAL 41 OK 72 98 75 98 4.2-6.7 5254/3.0=66, ~5253=51...(12) QG1 VAL 65 - H VAL 41 far 15 100 15 - 5.7-8.3 QG2 VAL 65 - H VAL 41 far 13 85 15 - 6.2-8.9 HG13 ILE 33 - H VAL 41 far 0 96 0 - 9.5-12.3 Violated in 2 structures by 0.01 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 3.9-4.8 3.2/139=82, 607/915=76...(13) Violated in 1 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 98 100 100 98 2.2-2.8 916=83, 3.9/146=36...(12) HD21 ASN 42 + H ASN 42 OK 96 100 100 96 1.8-4.0 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 - 8.4-10.2 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 = 0.99: * HB VAL 41 + H ASN 42 OK 99 100 100 99 2.2-3.2 3821=80, 2.1/147=58...(12) HG12 ILE 40 - H ASN 42 far 0 71 0 - 5.5-6.3 HB2 GLU 19 - H ASN 42 far 0 83 0 - 8.8-24.8 HG13 ILE 68 - H ASN 42 far 0 99 0 - 9.2-11.6 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 3.4-4.0 4.1=78, 2.1/146=77...(12) QG2 ILE 68 - H ASN 42 far 5 95 5 - 5.2-6.9 QD1 ILE 68 - H ASN 42 far 0 92 0 - 7.5-9.2 Violated in 6 structures by 0.02 A. Peak 148 from nnoeabs.peaks (0.94, 7.72, 113.33 ppm; 3.81 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 41 + H ASN 42 OK 100 100 100 100 3.5-4.0 4.1=78, 2.1/146=77...(11) QG2 ILE 40 + H ASN 42 OK 71 100 80 89 4.4-5.6 5210/3.6=49, 3816/916=44...(8) QD2 LEU 43 - H ASN 42 far 10 97 10 - 5.1-6.3 QG1 VAL 76 - H ASN 42 far 9 93 10 - 4.4-14.5 QG2 VAL 76 - H ASN 42 far 5 93 5 - 5.2-16.7 HG12 ILE 68 - H ASN 42 far 0 93 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 149 from nnoeabs.peaks (7.72, 7.52, 120.92 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 42 + H LEU 43 OK 100 100 100 100 2.3-3.1 917=100, 3.0/3824=55...(10) H GLU 50 - H LEU 43 far 0 98 0 - 9.1-10.5 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 3.2-3.6 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: HB3 ASN 42 + H LEU 43 OK 98 100 100 98 2.1-3.7 4.4=75, 3.0/3824=73...(7) * HB2 ASN 42 + H LEU 43 OK 98 100 100 98 2.7-4.2 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 2.1-3.7 4.4=75, 3.0/3824=73...(7) HB2 ASN 42 + H LEU 43 OK 98 100 100 98 2.7-4.2 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 2.3-2.6 3829=89, 2.3/156=43...(11) 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...(13) 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 98 100 100 98 2.2-2.8 2.3/155=67, 4.2=55...(11) 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 = 1.00: * H VAL 45 + H ASP 46 OK 99 100 100 99 2.5-2.8 630/166=63, 4.6=61...(10) H ASN 49 + H ASP 46 OK 64 68 100 94 4.5-4.9 4489/3.0=40, 175=33...(11) Violated in 0 structures by 0.00 A. Peak 163 from nnoeabs.peaks (3.69, 8.77, 119.44 ppm; 4.27 A): 2 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 OK 55 76 85 86 4.9-5.9 3.0/5131=30, 3.0/5132=27...(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 6 assignments used, quality = 1.00: * HB VAL 45 + H ASP 46 OK 99 100 100 99 3.5-3.7 2.1/166=72, 3835=67...(11) HG2 PRO 44 + H ASP 46 OK 66 87 100 76 3.0-3.5 2.3/5131=21, 4394/919=18...(15) HB3 PRO 44 + H ASP 46 OK 57 71 100 81 2.3-2.4 4431/919=25, 2110/166=22...(11) HB2 GLU 50 - H ASP 46 far 0 71 0 - 6.3-8.6 HB3 GLU 50 - H ASP 46 far 0 71 0 - 6.9-9.3 HB VAL 76 - H ASP 46 far 0 81 0 - 8.7-19.7 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 4.3-4.3 2.1/166=91, 4.2=88...(10) Violated in 20 structures by 0.20 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 2.3-2.5 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 98 100 100 98 2.3-2.9 171=67, 174/638=30...(24) * H ASP 46 + H ASP 47 OK 97 100 100 97 2.4-2.8 919=67, 634/170=38...(19) 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 2 assignments used, quality = 0.95: * HB2 ASP 46 + H ASP 47 OK 95 100 100 95 2.6-3.4 1.8/170=76, 633/919=47...(7) HB3 ASN 49 - H ASP 47 far 0 81 0 - 6.5-7.8 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 = 0.92: * HB3 ASP 46 + H ASP 47 OK 92 100 100 92 2.1-3.1 1.8/169=64, 634/919=45...(6) 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...(24) HE ARG 54 - H PHE 48 far 0 100 0 - 7.5-12.3 H ILE 40 - H PHE 48 far 0 71 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 172 from nnoeabs.peaks (4.39, 8.77, 123.38 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + H PHE 48 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 173 from nnoeabs.peaks (2.67, 8.77, 123.38 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + H PHE 48 OK 100 100 100 100 2.4-3.9 4.3=79, 1.8/174=77...(15) HB3 ASN 49 - H PHE 48 far 0 96 0 - 6.0-6.4 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 2.2-3.9 4.3=75, 1.8/173=73...(14) Violated in 1 structures by 0.00 A. Peak 175 from nnoeabs.peaks (8.77, 8.65, 117.58 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + H ASN 49 OK 99 100 100 99 2.6-3.0 921=58, 641/177=45...(16) H ASP 46 + H ASN 49 OK 94 100 100 94 4.5-4.9 3.0/4489=46, 3.5/4487=35...(11) 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 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 177 from nnoeabs.peaks (3.13, 8.65, 117.58 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 48 + H ASN 49 OK 99 100 100 99 2.0-3.7 4.3=59, 2.5/180=53...(12) Violated in 2 structures by 0.01 A. Peak 178 from nnoeabs.peaks (2.88, 8.65, 117.58 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: * HB3 PHE 48 + H ASN 49 OK 94 100 100 94 2.2-4.0 1.8/177=56, 2.5/180=39...(11) HB2 ASN 49 + H ASN 49 OK 89 92 100 97 2.1-2.5 1.8/648=58, 2167=50...(13) 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 2 assignments used, quality = 1.00: * QD PHE 48 + H ASN 49 OK 100 100 100 100 3.0-3.6 2.5/177=75, 4.5=72...(13) QD TYR 81 - H ASN 49 far 0 99 0 - 8.1-26.5 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 2.7-2.9 922=100, 2167/183=40...(11) H VAL 45 - H GLU 50 far 0 68 0 - 7.4-8.2 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 - 7.3-8.1 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 = 0.96: * HB2 ASN 49 + H GLU 50 OK 96 100 100 96 2.5-3.7 4.2=70, 2167/922=51...(6) HB3 PHE 48 - H GLU 50 far 9 90 10 - 4.6-6.3 Violated in 0 structures by 0.00 A. Peak 184 from nnoeabs.peaks (2.68, 7.73, 120.91 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.99: * HB3 ASN 49 + H GLU 50 OK 99 100 100 99 2.9-4.2 4.2=82, 1.8/183=81...(5) HB2 ASP 47 + H GLU 50 OK 35 96 40 91 5.0-6.0 3.0/4506=59, 637/6130=37...(8) HB2 ASP 46 - H GLU 50 far 12 81 15 - 5.4-6.7 Violated in 9 structures by 0.03 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...(16) 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 - 9.6-11.4 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 2.5-4.1 3.9/923=39, 4.7=36...(15) HB3 GLU 50 + H LEU 51 OK 92 100 100 92 3.4-3.9 3.9/923=39, 4.7=36...(13) HG2 PRO 44 - H LEU 51 far 0 99 0 - 7.1-8.1 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.6-12.5 HD3 ARG 69 - H LEU 51 far 0 97 0 - 7.9-12.2 HB VAL 45 - H LEU 51 far 0 71 0 - 9.5-10.2 Violated in 1 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 2.5-4.1 3.9/923=39, 4.7=36...(15) * HB3 GLU 50 + H LEU 51 OK 92 100 100 92 3.4-3.9 3.9/923=39, 4.7=36...(13) HG2 PRO 44 - H LEU 51 far 0 99 0 - 7.1-8.1 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.6-12.5 HD3 ARG 69 - H LEU 51 far 0 97 0 - 7.9-12.2 HB VAL 45 - H LEU 51 far 0 71 0 - 9.5-10.2 Violated in 1 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 2.2-4.7 3855=89, 656/923=75...(8) Violated in 6 structures by 0.01 A. Peak 193 from nnoeabs.peaks (7.53, 7.43, 115.28 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 51 + H LEU 52 OK 100 100 100 100 2.5-2.9 924=92, 660/196=46...(14) H ARG 54 + H LEU 52 OK 91 100 100 91 3.6-4.1 207/200=49, 4567/3.6=33...(12) HD21 ASN 80 - H LEU 52 far 0 93 0 - 8.8-28.8 H LEU 43 - H LEU 52 far 0 97 0 - 9.3-10.8 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 2 assignments used, quality = 1.00: * HA LEU 51 + H LEU 52 OK 100 100 100 100 3.5-3.6 3.6=100 HD2 PRO 36 - H LEU 52 far 0 81 0 - 9.5-13.2 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 = 1.00: * HB2 LEU 51 + H LEU 52 OK 98 100 100 98 2.2-4.2 1.8/196=66, 2216/924=45...(11) HB2 LEU 52 + H LEU 52 OK 93 93 100 99 3.6-3.6 1.8/667=70, 3.9=60...(14) HG2 ARG 54 - H LEU 52 far 14 92 15 - 4.7-6.6 Violated in 12 structures by 0.03 A. Peak 196 from nnoeabs.peaks (1.60, 7.43, 115.28 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 51 + H LEU 52 OK 99 100 100 99 2.3-3.9 3858=71, 660/924=53...(11) HG3 ARG 54 - H LEU 52 far 8 76 10 - 4.1-6.8 HD3 LYS 39 - H LEU 52 far 0 89 0 - 6.6-11.3 HD2 LYS 39 - H LEU 52 far 0 90 0 - 7.3-11.3 HB3 LEU 62 - H LEU 52 far 0 97 0 - 8.4-10.9 Violated in 3 structures by 0.03 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 3.1-4.5 3.0/196=79, 5684=74...(12) QD1 LEU 62 - H LEU 52 far 9 87 10 - 5.3-8.3 QG1 VAL 76 - H LEU 52 far 0 60 0 - 9.7-19.2 Violated in 1 structures by 0.00 A. Peak 198 from nnoeabs.peaks (0.19, 7.43, 115.28 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: * QD2 LEU 51 + H LEU 52 OK 99 100 100 99 3.3-4.6 4.6=99 Violated in 1 structures by 0.00 A. Peak 200 from nnoeabs.peaks (7.43, 7.22, 117.09 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 52 + H ALA 53 OK 99 100 100 99 2.4-2.8 925=87, 667/203=40...(14) HE21 GLN 61 - H ALA 53 far 0 60 0 - 9.9-13.0 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 3.5-3.6 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 3.5-4.1 1.8/203=79, 4.6=54...(12) HG2 ARG 54 + H ALA 53 OK 51 60 95 90 4.2-5.7 3.0/4963=38, 4.9/207=37...(10) HB2 LEU 51 - H ALA 53 far 14 93 15 - 4.6-6.2 QG2 THR 58 - H ALA 53 far 0 76 0 - 9.7-11.6 Violated in 2 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 2.4-3.0 3864=58, 667/200=56...(12) HB3 LEU 57 - H ALA 53 far 0 100 0 - 7.3-9.3 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 3.7-4.5 668/200=80, 3.0/203=78...(14) QG2 VAL 65 - H ALA 53 far 0 89 0 - 6.4-8.5 Violated in 3 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 4.0-4.7 3866=100, 3.1/203=80...(13) Violated in 9 structures by 0.02 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 4.3-4.9 3867=100, 2287/3.6=83...(15) Violated in 3 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 = 0.98: * H ALA 53 + H ARG 54 OK 98 100 100 98 2.3-2.6 926=52, 673/209=49...(17) Violated in 0 structures by 0.00 A. Peak 208 from nnoeabs.peaks (4.16, 7.53, 116.98 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 53 + H ARG 54 OK 100 100 100 100 3.3-3.5 3.6=100 HA ASN 49 - H ARG 54 far 0 71 0 - 6.7-7.3 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 2.8-3.3 3.6=92, 673/207=63...(8) HG3 LYS 39 - H ARG 54 far 0 96 0 - 9.9-11.7 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 1.9-2.7 927=87, 207/4973=27...(13) H LEU 51 - H TYR 55 far 0 100 0 - 6.0-7.0 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 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (1.76, 7.69, 117.85 ppm; 3.85 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 54 + H TYR 55 OK 99 100 100 99 2.8-4.1 676/210=70, 3871=65...(12) HG2 PRO 34 + H TYR 55 OK 33 99 40 84 4.6-7.4 4246/687=40, 4859/684=35...(9) HB2 LEU 57 + H TYR 55 OK 20 100 25 81 4.5-7.1 3.1/5730=41, 3.0/5733=38...(10) HB2 PRO 34 - H TYR 55 far 5 93 5 - 5.2-8.1 HB2 LEU 62 - H TYR 55 far 0 85 0 - 8.2-11.2 HB3 LYS 39 - H TYR 55 far 0 89 0 - 9.5-13.2 Violated in 1 structures by 0.00 A. Peak 213 from nnoeabs.peaks (1.55, 7.69, 117.85 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 54 + H TYR 55 OK 99 100 100 99 3.4-4.3 3872=65, 2315/210=60...(9) HG3 ARG 54 + H TYR 55 OK 61 63 100 97 3.1-4.9 4.8=51, 3.0/3871=48...(8) HG LEU 62 - H TYR 55 far 0 87 0 - 6.5-9.0 HG2 LYS 39 - H TYR 55 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (1.31, 7.69, 117.85 ppm; 4.90 A): 3 out of 4 assignments used, quality = 1.00: * HG2 ARG 54 + H TYR 55 OK 100 100 100 100 2.2-5.0 4.8=100 HB2 LEU 52 + H TYR 55 OK 57 60 100 96 5.0-5.8 3.0/4581=79, 4.6/4973=55...(7) HB2 LEU 51 + H TYR 55 OK 43 92 50 93 5.7-7.3 3.1/4946=57, 4663/687=34...(9) QG2 THR 58 - H TYR 55 far 0 99 0 - 8.3-9.9 Violated in 0 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 = 0.99: * HG3 ARG 54 + H TYR 55 OK 99 100 100 99 3.1-4.9 2332/3.6=55, 4.8=53...(10) HB3 ARG 54 + H TYR 55 OK 61 63 100 98 3.4-4.3 1.8/3871=61, 4.6=60...(9) HB3 LEU 51 - H TYR 55 far 0 76 0 - 5.7-7.0 HG LEU 62 - H TYR 55 far 0 97 0 - 6.5-9.0 HD3 LYS 39 - H TYR 55 far 0 99 0 - 8.4-12.4 HB3 LEU 62 - H TYR 55 far 0 96 0 - 9.2-11.9 HG2 LYS 39 - H TYR 55 far 0 63 0 - 9.3-11.5 HD2 LYS 39 - H TYR 55 far 0 99 0 - 9.6-13.0 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, 2.3/220=30...(8) Violated in 5 structures by 0.09 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 82 100 90 91 4.6-5.8 3.8/218=59, 2.3/220=53...(6) HB2 GLU 59 - H LEU 57 far 0 100 0 - 8.8-10.9 HB3 GLU 59 - H LEU 57 far 0 100 0 - 8.9-10.9 HB3 MET 31 - H LEU 57 far 0 87 0 - 9.1-11.9 Violated in 15 structures by 0.11 A. Peak 220 from nnoeabs.peaks (2.03, 8.15, 124.80 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.99: * HB3 PRO 56 + H LEU 57 OK 99 100 100 99 3.8-4.6 4.0=84, 2.3/218=84...(6) HG2 PRO 56 + H LEU 57 OK 31 99 35 89 3.4-5.8 3.8/218=56, 2.3/219=35...(6) HG2 ARG 66 - H LEU 57 far 0 81 0 - 9.8-13.7 Violated in 15 structures by 0.09 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 4.3-4.6 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 94 100 100 94 2.1-2.7 3.6=64, 3.0/228=35...(8) HB THR 58 + H THR 58 OK 88 100 100 88 3.5-3.9 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 2.7-4.3 4.2=100 HB2 LEU 62 + H THR 58 OK 58 83 90 77 3.9-5.9 4.0/5368=46...(5) HG2 PRO 34 - H THR 58 far 0 99 0 - 5.8-8.3 HB2 LYS 32 - H THR 58 far 0 99 0 - 6.4-10.8 HB3 LYS 32 - H THR 58 far 0 99 0 - 7.8-11.4 HB2 PRO 34 - H THR 58 far 0 95 0 - 7.8-9.8 HB ILE 33 - H THR 58 far 0 100 0 - 9.0-10.5 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 2.0-3.3 4.2=82, 3.1/3888=51...(12) HG12 ILE 33 - H THR 58 far 0 73 0 - 6.7-10.0 QB ALA 63 - H THR 58 far 0 87 0 - 6.7-7.7 HB3 LEU 52 - H THR 58 far 0 100 0 - 8.2-10.7 QB ALA 30 - H THR 58 far 0 76 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 230 from nnoeabs.peaks (0.71, 9.06, 113.20 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + H THR 58 OK 100 100 100 100 3.0-4.0 3888=73, 2457/3.6=58...(14) QD1 ILE 33 + H THR 58 OK 27 100 30 90 4.9-6.7 4224/5753=31...(11) Violated in 3 structures by 0.01 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 4.0-5.1 4.8=100 Violated in 6 structures by 0.01 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...(7) HA MET 31 - H GLU 59 far 0 96 0 - 9.5-12.4 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 2.1-3.3 3.0/233=45, 2.1/235=42...(7) HA LEU 57 - H GLU 59 far 0 100 0 - 6.4-6.7 Violated in 5 structures by 0.04 A. Peak 235 from nnoeabs.peaks (1.31, 9.11, 120.45 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 58 + H GLU 59 OK 100 100 100 100 3.3-4.0 3892=97, 2.1/234=87...(10) HB2 LEU 52 - H GLU 59 far 0 76 0 - 8.7-10.9 Violated in 10 structures by 0.05 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 2.6-2.9 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 3.4-3.6 3.6=100 HA ALA 63 - H SER 60 far 0 89 0 - 7.2-8.0 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 = 0.99: * HB2 GLU 59 + H SER 60 OK 93 100 100 93 2.8-4.2 4.6=77, 701/4.7=27...(7) HB3 GLU 59 + H SER 60 OK 93 100 100 93 2.7-4.0 4.6=77, 701/4.7=27...(7) HB3 MET 31 - H SER 60 far 0 81 0 - 6.2-9.2 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.3-12.0 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 = 0.99: HB2 GLU 59 + H SER 60 OK 93 100 100 93 2.8-4.2 4.6=77, 701/4.7=27...(7) * HB3 GLU 59 + H SER 60 OK 93 100 100 93 2.7-4.0 4.6=77, 701/4.7=27...(7) HB3 MET 31 - H SER 60 far 0 81 0 - 6.2-9.2 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.3-12.0 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 2.3-2.7 931=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 3.4-3.6 3.6=100 HA LEU 64 - H GLN 61 far 0 87 0 - 7.3-8.3 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: * HB2 SER 60 + H GLN 61 OK 86 100 100 86 2.2-3.7 4.4=66, 3.8/931=40...(5) HB3 SER 60 + H GLN 61 OK 86 100 100 86 3.3-4.4 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: HB2 SER 60 + H GLN 61 OK 86 100 100 86 2.2-3.7 4.4=66, 3.8/931=40...(5) * HB3 SER 60 + H GLN 61 OK 86 100 100 86 3.3-4.4 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 2.3-2.7 932=100, 711/248=41...(17) H TYR 55 - H LEU 62 far 0 99 0 - 9.2-11.0 H MET 31 - H LEU 62 far 0 71 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 247 from nnoeabs.peaks (3.96, 8.82, 120.20 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 61 + H LEU 62 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 66 - H LEU 62 far 0 96 0 - 8.1-9.5 HA ALA 28 - H LEU 62 far 0 99 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 248 from nnoeabs.peaks (2.53, 8.82, 120.20 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.99: * HB2 GLN 61 + H LEU 62 OK 99 100 100 99 2.4-3.5 1.8/249=69, 711/932=55...(12) HG3 MET 31 - H LEU 62 far 0 100 0 - 6.2-9.6 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 2 assignments used, quality = 0.99: * HB3 GLN 61 + H LEU 62 OK 99 100 100 99 2.5-3.9 1.8/248=80, 4.6=62...(9) HG2 ARG 27 - H LEU 62 far 0 63 0 - 8.8-14.1 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 3.9-4.9 3.0/248=79, 3.0/249=76...(10) HG2 MET 31 - H LEU 62 far 4 73 5 - 5.8-9.6 Violated in 5 structures by 0.02 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 2.6-2.9 933=100, 2571/3907=44...(15) 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 2.7-3.4 3907=100, 2571/933=48...(15) HB2 LEU 57 - H ALA 63 far 0 83 0 - 6.3-8.1 HB2 LYS 32 - H ALA 63 far 0 65 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 257 from nnoeabs.peaks (1.59, 7.98, 119.93 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + H ALA 63 OK 99 100 100 99 2.5-3.6 1.8/3907=75, 3765=48...(14) HG LEU 62 + H ALA 63 OK 61 78 80 98 4.5-5.2 3.0/3907=56, 2.1/260=42...(15) HG LEU 86 - H ALA 63 far 0 97 0 - 9.0-47.8 HG3 ARG 70 - H ALA 63 far 0 73 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 258 from nnoeabs.peaks (1.57, 7.98, 119.93 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.93: HB3 LEU 62 + H ALA 63 OK 78 78 100 99 2.5-3.6 1.8/3907=75, 3765=46...(14) * HG LEU 62 + H ALA 63 OK 69 100 70 99 4.5-5.2 3.0/3907=56, 2585/933=42...(16) HG LEU 64 - H ALA 63 far 0 68 0 - 5.0-7.2 Violated in 0 structures by 0.00 A. Peak 259 from nnoeabs.peaks (0.93, 7.98, 119.93 ppm; 4.87 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 62 + H ALA 63 OK 100 100 100 100 3.8-4.9 3910=100, 3.1/3907=88...(16) QD1 LEU 64 - H ALA 63 far 11 71 15 - 6.1-6.8 QG2 ILE 40 - H ALA 63 far 0 100 0 - 8.2-9.9 HG12 ILE 68 - H ALA 63 far 0 98 0 - 8.3-11.1 Violated in 2 structures by 0.01 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 4.6-4.7 3.1/3907=83, 2600/3.6=76...(15) QD1 LEU 86 - H ALA 63 far 0 93 0 - 7.1-41.0 Violated in 15 structures by 0.04 A. Peak 261 from nnoeabs.peaks (7.98, 7.42, 119.17 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 63 + H LEU 64 OK 100 100 100 100 2.4-3.1 934=100, 726/263=62...(13) H ARG 69 - H LEU 64 far 0 100 0 - 7.8-8.8 H ARG 70 - H LEU 64 far 0 71 0 - 9.2-10.0 H GLY 72 - H LEU 64 far 0 95 0 - 9.6-12.5 H ALA 30 - H LEU 64 far 0 100 0 - 9.6-11.6 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 3.4-3.6 3.6=100 HA GLU 59 - H LEU 64 far 0 89 0 - 6.4-7.4 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 = 0.99: * QB ALA 63 + H LEU 64 OK 99 100 100 99 2.0-2.9 3913=84, 726/934=57...(14) HB3 LEU 57 - H LEU 64 far 0 87 0 - 6.3-7.9 HB3 LEU 52 - H LEU 64 far 0 95 0 - 8.9-12.1 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 2.3-2.9 935=81, 2619/3915=34...(17) H LEU 52 - H VAL 65 far 0 97 0 - 9.4-11.0 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 3.5-3.6 3.6=100 HA SER 60 - H VAL 65 far 0 87 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 266 from nnoeabs.peaks (1.97, 8.38, 117.58 ppm; 3.41 A): 2 out of 5 assignments used, quality = 0.99: * HB2 LEU 64 + H VAL 65 OK 99 100 100 99 2.4-3.5 3915=59, 1.8/3916=47...(14) QE MET 31 + H VAL 65 OK 33 87 45 86 3.8-6.3 5074/269=31, 5082/264=31...(13) HG LEU 57 - H VAL 65 far 0 89 0 - 7.5-8.8 HB3 ARG 70 - H VAL 65 far 0 89 0 - 8.1-11.7 HB2 ARG 70 - H VAL 65 far 0 89 0 - 9.0-11.9 Violated in 6 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 3.8-4.3 3916=70, 1.8/3915=68...(17) HG3 ARG 66 + H VAL 65 OK 64 100 85 75 3.8-5.9 744/271=51, 5165/5796=17...(6) HG2 ARG 70 - H VAL 65 far 0 97 0 - 8.2-11.4 Violated in 8 structures by 0.02 A. Peak 268 from nnoeabs.peaks (1.54, 8.38, 117.58 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + H VAL 65 OK 100 100 100 100 2.2-3.7 2.1/269=72, 3.0/3915=62...(15) HG LEU 62 + H VAL 65 OK 25 68 45 80 5.2-6.8 4.3/4674=43, 3917=21...(8) Violated in 0 structures by 0.00 A. Peak 269 from nnoeabs.peaks (0.84, 8.38, 117.58 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 64 + H VAL 65 OK 100 100 100 100 2.7-4.0 2.1/3919=60, 3.1/3915=60...(16) QD2 LEU 86 - H VAL 65 far 0 96 0 - 9.4-38.0 QD2 LEU 29 - H VAL 65 far 0 100 0 - 9.4-12.6 QD1 LEU 43 - H VAL 65 far 0 92 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 270 from nnoeabs.peaks (0.95, 8.38, 117.58 ppm; 4.20 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + H VAL 65 OK 100 100 100 100 3.5-4.7 2.1/269=74, 3919=73...(15) QD2 LEU 62 + H VAL 65 OK 51 71 80 89 4.1-6.4 4.0/4674=48...(12) QG2 ILE 40 + H VAL 65 OK 23 71 40 80 5.3-6.7 ~5033=30, 4724/2669=23...(12) QG2 VAL 41 - H VAL 65 far 0 83 0 - 7.7-9.4 Violated in 6 structures by 0.01 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 2.4-3.2 936=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 ILE 40 - H ARG 66 far 0 100 0 - 7.1-10.2 HA ARG 69 - H ARG 66 far 0 100 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 273 from nnoeabs.peaks (2.39, 8.59, 117.85 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.98: * HB VAL 65 + H ARG 66 OK 98 100 100 98 2.0-3.6 3921=67, 736/271=55...(13) HG2 GLU 59 - H ARG 66 far 0 97 0 - 8.8-13.0 Violated in 2 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 2.2-3.5 4.1=72, 2.1/273=70...(17) QG2 VAL 65 + H ARG 66 OK 82 83 100 99 3.5-4.2 4.1=72, 2.1/273=70...(15) HG13 ILE 40 - H ARG 66 far 0 100 0 - 5.6-8.6 HG2 ARG 69 - H ARG 66 far 0 99 0 - 6.4-9.3 HG13 ILE 33 - H ARG 66 far 0 95 0 - 6.7-9.7 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 3.5-4.2 2.1/273=64, 4.1=62...(15) QG1 VAL 65 + H ARG 66 OK 81 83 100 98 2.2-3.5 2.1/273=64, 4.1=62...(17) HG13 ILE 40 - H ARG 66 far 0 85 0 - 5.6-8.6 HG2 ARG 69 - H ARG 66 far 0 63 0 - 6.4-9.3 HG LEU 52 - H ARG 66 far 0 89 0 - 6.6-8.9 HG13 ILE 33 - H ARG 66 far 0 99 0 - 6.7-9.7 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 2.3-2.8 937=100, 743/280=37...(19) Violated in 0 structures by 0.00 A. Peak 277 from nnoeabs.peaks (3.98, 7.93, 121.56 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 66 + H ASP 67 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 70 - H ASP 67 far 0 71 0 - 6.8-8.2 HA2 GLY 72 - H ASP 67 far 0 93 0 - 7.1-10.6 HA GLN 61 - H ASP 67 far 0 96 0 - 7.1-8.4 HA ALA 28 - H ASP 67 far 0 85 0 - 8.6-10.0 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 8 assignments used, quality = 1.00: * HB2 ARG 66 + H ASP 67 OK 99 100 100 99 3.3-4.2 4.6=63, 4.0/937=54...(13) HB ILE 68 + H ASP 67 OK 72 81 100 89 4.7-5.1 3.9/938=52, 2.1/5803=26...(13) HB2 ARG 71 - H ASP 67 far 0 76 0 - 5.8-8.4 HB3 ARG 71 - H ASP 67 far 0 78 0 - 6.7-9.0 HB3 ARG 27 - H ASP 67 far 0 78 0 - 7.4-10.0 HB2 ARG 27 - H ASP 67 far 0 76 0 - 7.9-10.5 HG12 ILE 40 - H ASP 67 far 0 60 0 - 8.5-10.6 HB3 PRO 14 - H ASP 67 far 0 97 0 - 9.7-30.6 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 6 assignments used, quality = 1.00: * HB3 ARG 66 + H ASP 67 OK 99 100 100 99 2.3-4.0 742/937=59, 4.6=54...(17) HG13 ILE 68 + H ASP 67 OK 65 87 85 88 3.7-5.9 2770/938=42, 2.9/278=23...(12) HB3 ARG 70 - H ASP 67 far 14 95 15 - 4.1-8.0 HB2 ARG 70 - H ASP 67 far 14 95 15 - 4.9-8.2 HB2 MET 31 - H ASP 67 far 0 99 0 - 8.6-10.9 HB2 GLN 79 - H ASP 67 far 0 71 0 - 9.1-23.3 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 6 assignments used, quality = 1.00: * HG2 ARG 66 + H ASP 67 OK 100 100 100 100 2.2-4.8 743/937=75, 2699/3.6=56...(15) QE MET 31 - H ASP 67 far 0 81 0 - 6.1-9.2 HD3 ARG 69 - H ASP 67 far 0 83 0 - 6.4-9.7 HD2 ARG 69 - H ASP 67 far 0 83 0 - 6.9-9.5 HB3 GLN 79 - H ASP 67 far 0 90 0 - 7.9-22.5 HG3 PRO 14 - H ASP 67 far 0 68 0 - 9.8-31.3 Violated in 11 structures by 0.08 A. Peak 281 from nnoeabs.peaks (1.70, 7.93, 121.56 ppm; 4.78 A): 3 out of 5 assignments used, quality = 1.00: * HG3 ARG 66 + H ASP 67 OK 100 100 100 100 2.4-4.7 1.8/280=87, 744/937=75...(18) HB3 LEU 64 + H ASP 67 OK 95 100 100 95 5.1-5.6 3.0/4737=77, 3.1/4741=39...(9) HG2 ARG 70 + H ASP 67 OK 61 95 70 92 4.3-7.4 5052/3.0=60, ~5050=29...(11) HB2 ARG 82 - H ASP 67 far 0 100 0 - 8.7-33.8 HB3 LYS 85 - H ASP 67 far 0 65 0 - 9.7-35.7 Violated in 0 structures by 0.00 A. Peak 284 from nnoeabs.peaks (7.93, 8.44, 120.04 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 67 + H ILE 68 OK 99 100 100 99 2.5-2.8 938=80, 749/286=43...(17) H ARG 70 + H ILE 68 OK 62 78 100 79 3.6-4.8 4.6/288=29, 4792/3.6=28...(11) H VAL 76 - H ILE 68 far 0 60 0 - 9.6-17.6 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 3.4-3.6 3.6=100 HA ASP 24 - H ILE 68 far 0 97 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 286 from nnoeabs.peaks (2.90, 8.44, 120.04 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ASP 67 + H ILE 68 OK 99 100 100 99 3.2-3.8 3932=76, 1.8/287=75...(7) HB3 PHE 48 - H ILE 68 far 0 90 0 - 9.4-11.2 Violated in 4 structures by 0.00 A. Peak 287 from nnoeabs.peaks (2.84, 8.44, 120.04 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 67 + H ILE 68 OK 99 100 100 99 2.4-3.4 1.8/286=72, 3933=63...(10) HB2 ASN 74 - H ILE 68 far 0 65 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 288 from nnoeabs.peaks (8.44, 7.98, 119.32 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 68 + H ARG 69 OK 99 100 100 99 2.5-2.9 939=85, 2749/4.4=33...(17) 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 3.4-3.6 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): 2 out of 4 assignments used, quality = 0.97: * HB ILE 68 + H ARG 69 OK 94 100 100 94 2.3-3.1 4.4=42, 2749/288=40...(17) HG13 ILE 68 + H ARG 69 OK 55 65 90 93 3.9-5.1 2.1/294=32, 4.5/288=30...(19) HB2 ARG 66 - H ARG 69 far 0 81 0 - 4.9-5.6 HG12 ILE 40 - H ARG 69 far 0 99 0 - 6.1-7.9 Violated in 0 structures by 0.00 A. Peak 291 from nnoeabs.peaks (0.81, 7.98, 119.32 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 68 + H ARG 69 OK 99 100 100 99 2.7-3.9 4.1=67, 2.1/290=47...(23) QD1 ILE 68 + H ARG 69 OK 59 63 100 94 4.3-4.9 2.1/293=42, 3.2/290=35...(17) QG1 VAL 41 - H ARG 69 far 14 95 15 - 4.9-6.7 QD1 LEU 43 - H ARG 69 far 0 81 0 - 7.8-10.4 QD2 LEU 86 - H ARG 69 far 0 73 0 - 9.5-33.9 Violated in 6 structures by 0.01 A. Peak 292 from nnoeabs.peaks (0.92, 7.98, 119.32 ppm; 3.48 A): 3 out of 7 assignments used, quality = 0.99: QG2 ILE 40 + H ARG 69 OK 95 98 100 97 2.5-4.0 4303/760=35, 4326=33...(24) QG2 VAL 41 + H ARG 69 OK 79 93 95 89 3.5-5.0 4769/2.9=25, 1982/4.1=19...(19) * HG12 ILE 68 + H ARG 69 OK 24 100 25 97 3.8-5.4 1.8/293=43, 2764/3.6=39...(15) QG2 VAL 76 - H ARG 69 far 0 100 0 - 6.1-12.9 QG1 VAL 76 - H ARG 69 far 0 100 0 - 6.6-12.6 QD2 LEU 62 - H ARG 69 far 0 98 0 - 6.7-10.1 QD2 LEU 43 - H ARG 69 far 0 73 0 - 9.7-12.0 Violated in 2 structures by 0.01 A. Peak 293 from nnoeabs.peaks (1.92, 7.98, 119.32 ppm; 3.44 A): 2 out of 5 assignments used, quality = 0.95: * HG13 ILE 68 + H ARG 69 OK 87 100 90 96 3.9-5.1 2770/288=40, 2.1/294=34...(19) HB ILE 68 + H ARG 69 OK 62 65 100 94 2.3-3.1 4.4=46, 3.9/288=40...(15) HB3 ARG 66 - H ARG 69 far 0 87 0 - 5.2-6.0 HG12 ILE 40 - H ARG 69 far 0 85 0 - 6.1-7.9 HB VAL 41 - H ARG 69 far 0 99 0 - 6.6-8.2 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 = 0.99: * QD1 ILE 68 + H ARG 69 OK 98 100 100 98 4.3-4.9 2777/288=49, 2.1/293=46...(18) QG2 ILE 68 + H ARG 69 OK 62 63 100 100 2.7-3.9 4.1=82, 2.1/290=51...(22) QG1 VAL 41 - H ARG 69 far 14 92 15 - 4.9-6.7 Violated in 0 structures by 0.00 A. Peak 295 from nnoeabs.peaks (7.98, 7.95, 118.23 ppm; 2.73 A): 2 out of 4 assignments used, quality = 0.91: * H ARG 69 + H ARG 70 OK 84 100 100 84 2.4-2.9 760/297=22, 4.6=21...(18) H GLY 72 + H ARG 70 OK 43 99 65 68 3.5-4.6 5397/303=28, 5492/3.6=19...(15) H LYS 73 - H ARG 70 far 9 93 10 - 3.9-5.5 H VAL 76 - H ARG 70 far 0 76 0 - 5.1-13.5 Violated in 4 structures by 0.01 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 3.4-3.6 3.6=100 HA VAL 65 - H ARG 70 far 0 100 0 - 6.6-7.7 HA ILE 40 - H ARG 70 far 0 100 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 297 from nnoeabs.peaks (1.80, 7.95, 118.23 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.99: * HB2 ARG 69 + H ARG 70 OK 98 100 100 98 2.4-3.9 4.3=62, 760/940=47...(17) HB3 LYS 73 + H ARG 70 OK 25 71 45 79 4.4-7.4 ~15061=27, ~5061=27...(14) HB2 LYS 73 - H ARG 70 far 8 83 10 - 5.1-8.0 HB3 LYS 75 - H ARG 70 far 0 92 0 - 7.7-12.5 HB2 LYS 83 - H ARG 70 far 0 81 0 - 9.7-27.5 HB3 ARG 84 - H ARG 70 far 0 100 0 - 9.8-33.9 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 9 assignments used, quality = 1.00: * HB3 ARG 69 + H ARG 70 OK 100 100 100 100 2.2-4.3 4.3=81, 1.8/297=66...(20) HG3 ARG 69 + H ARG 70 OK 85 87 100 98 2.5-5.0 1.8/5829=62, 3.0/297=52...(19) HG3 LYS 73 - H ARG 70 far 10 99 10 - 5.2-8.9 QB ALA 77 - H ARG 70 far 4 85 5 - 4.2-14.7 QB ALA 78 - H ARG 70 far 0 99 0 - 6.0-18.3 HG3 LYS 75 - H ARG 70 far 0 100 0 - 6.2-14.0 HG2 LYS 75 - H ARG 70 far 0 100 0 - 7.0-14.2 QB ALA 20 - H ARG 70 far 0 89 0 - 8.1-19.5 HG2 LYS 83 - H ARG 70 far 0 68 0 - 9.6-29.5 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 10 assignments used, quality = 1.00: * HG3 ARG 69 + H ARG 70 OK 98 100 100 98 2.5-5.0 1.8/5829=60, 3944=52...(19) HB3 ARG 69 + H ARG 70 OK 87 87 100 100 2.2-4.3 4.3=77, 1.8/297=65...(20) HG3 LYS 73 - H ARG 70 far 10 97 10 - 5.2-8.9 QB ALA 77 - H ARG 70 far 5 100 5 - 4.2-14.7 QB ALA 78 - H ARG 70 far 0 97 0 - 6.0-18.3 HG3 LYS 75 - H ARG 70 far 0 95 0 - 6.2-14.0 HG2 LYS 75 - H ARG 70 far 0 95 0 - 7.0-14.2 QB ALA 20 - H ARG 70 far 0 100 0 - 8.1-19.5 QB ALA 16 - H ARG 70 far 0 89 0 - 9.0-23.5 HG2 LYS 83 - H ARG 70 far 0 99 0 - 9.6-29.5 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 2.4-3.0 5390=100, 770/307=35...(19) H ASP 67 - H ARG 71 far 0 78 0 - 5.2-6.7 H VAL 76 - H ARG 71 far 0 99 0 - 5.3-13.0 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 3.5-3.6 3.6=100 HA ARG 66 - H ARG 71 far 0 71 0 - 6.1-7.1 HB2 SER 22 - H ARG 71 far 0 98 0 - 8.6-16.0 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 6 assignments used, quality = 1.00: * HB2 ARG 70 + H ARG 71 OK 96 100 100 96 2.1-4.2 4.4=44, 2.9/307=42...(19) HB3 ARG 70 + H ARG 71 OK 95 100 100 95 2.3-4.0 4.4=44, 2.9/307=42...(19) HB3 ARG 66 - H ARG 71 far 0 95 0 - 6.4-8.6 HB VAL 41 - H ARG 71 far 0 71 0 - 7.7-10.6 HB2 GLN 79 - H ARG 71 far 0 96 0 - 8.7-18.7 HB2 LEU 64 - H ARG 71 far 0 89 0 - 9.6-11.3 Violated in 8 structures by 0.03 A. Peak 306 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.36 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 70 + H ARG 71 OK 96 100 100 96 2.1-4.2 4.4=44, 2.9/307=42...(19) * HB3 ARG 70 + H ARG 71 OK 95 100 100 95 2.3-4.0 4.4=44, 2.9/307=42...(19) HB3 ARG 66 - H ARG 71 far 0 95 0 - 6.4-8.6 HB VAL 41 - H ARG 71 far 0 71 0 - 7.7-10.6 HB2 GLN 79 - H ARG 71 far 0 96 0 - 8.7-18.7 HB2 LEU 64 - H ARG 71 far 0 89 0 - 9.6-11.3 Violated in 8 structures by 0.03 A. Peak 307 from nnoeabs.peaks (1.71, 8.11, 117.98 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 70 + H ARG 71 OK 100 100 100 100 2.0-4.2 2844/3.6=55, 770/303=54...(22) HG3 ARG 66 - H ARG 71 far 0 95 0 - 5.8-10.0 HB3 LEU 64 - H ARG 71 far 0 97 0 - 8.4-10.2 HB2 ARG 82 - H ARG 71 far 0 93 0 - 9.6-29.0 HB3 LYS 83 - H ARG 71 far 0 98 0 - 9.8-29.0 Violated in 3 structures by 0.01 A. Peak 308 from nnoeabs.peaks (1.61, 8.11, 117.98 ppm; 3.80 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 70 + H ARG 71 OK 99 100 100 99 2.3-4.8 1.8/307=68, 2873/3.6=46...(21) HG2 ARG 71 + H ARG 71 OK 99 99 100 100 1.9-4.0 1.8/779=81, 5.0=44...(28) HD3 LYS 73 - H ARG 71 far 0 100 0 - 5.9-9.1 HD2 LYS 73 - H ARG 71 far 0 100 0 - 6.5-9.5 HG3 ARG 27 - H ARG 71 far 0 83 0 - 8.4-12.8 HG3 ARG 84 - H ARG 71 far 0 85 0 - 8.4-33.1 HG2 ARG 84 - H ARG 71 far 0 85 0 - 8.4-32.1 HB2 LEU 86 - H ARG 71 far 0 100 0 - 9.1-38.5 HG2 ARG 27 - H ARG 71 far 0 85 0 - 9.6-13.4 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 3 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 - 7.9-11.5 HA ALA 63 - H GLY 72 far 0 93 0 - 9.6-13.0 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 93 100 100 93 2.2-4.1 4.4=57, 4.0/5397=45...(14) HB3 ARG 71 + H GLY 72 OK 93 100 100 93 2.6-4.1 4.4=57, 4.0/5397=45...(12) HB2 LYS 75 - H GLY 72 far 0 97 0 - 5.4-11.4 HB2 ARG 27 - H GLY 72 far 0 100 0 - 7.7-11.7 HB2 ARG 66 - H GLY 72 far 0 76 0 - 7.8-10.4 HB2 ARG 23 - H GLY 72 far 0 99 0 - 7.8-14.2 HB3 ARG 27 - H GLY 72 far 0 100 0 - 8.0-11.9 HB3 ARG 23 - H GLY 72 far 0 100 0 - 8.9-14.9 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 93 100 100 93 2.2-4.1 4.4=57, 4.0/5397=45...(14) * HB3 ARG 71 + H GLY 72 OK 93 100 100 93 2.6-4.1 4.4=57, 4.0/5397=45...(12) HB2 LYS 75 - H GLY 72 far 0 97 0 - 5.4-11.4 HB2 ARG 27 - H GLY 72 far 0 100 0 - 7.7-11.7 HB2 ARG 66 - H GLY 72 far 0 78 0 - 7.8-10.4 HB2 ARG 23 - H GLY 72 far 0 99 0 - 7.8-14.2 HB3 ARG 27 - H GLY 72 far 0 100 0 - 8.0-11.9 HB3 ARG 23 - H GLY 72 far 0 99 0 - 8.9-14.9 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 5 assignments used, quality = 1.00: * HA2 GLY 72 + H LYS 73 OK 100 100 100 100 2.7-3.5 3.6=100 HA VAL 76 - H LYS 73 far 0 100 0 - 7.4-10.7 HA ARG 66 - H LYS 73 far 0 93 0 - 7.6-9.7 HA THR 37 - H LYS 73 far 0 65 0 - 8.3-9.8 HA3 GLY 21 - H LYS 73 far 0 96 0 - 9.6-19.9 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): 2 out of 5 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...(8) H GLY 72 + H ASN 74 OK 58 99 85 68 3.8-7.1 4.5/944=45, 5841/4.3=20...(6) H ALA 30 - H ARG 26 far 2 50 5 - 5.6-6.9 H ARG 69 - H ASN 74 far 0 93 0 - 5.8-9.9 H GLY 72 - H ARG 26 far 0 57 0 - 9.9-13.4 Violated in 2 structures by 0.01 A. Peak 323 from nnoeabs.peaks (4.18, 8.15, 119.01 ppm; 3.78 A): 1 out of 7 assignments used, quality = 0.99: * HA LYS 73 + H ASN 74 OK 99 99 100 100 2.2-3.6 3.6=100 HA ALA 78 - H ASN 74 far 0 81 0 - 6.7-13.5 HA LEU 29 - H ARG 26 far 0 34 0 - 6.9-7.9 HA ARG 84 - H ARG 26 far 0 58 0 - 8.2-40.6 HA GLN 79 - H ARG 26 far 0 52 0 - 8.6-28.8 HA GLN 79 - H ASN 74 far 0 96 0 - 8.6-16.3 HB THR 15 - H ARG 26 far 0 44 0 - 8.7-22.6 Violated in 0 structures by 0.00 A. Peak 324 from nnoeabs.peaks (1.82, 8.15, 119.01 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.99: * HB2 LYS 73 + H ASN 74 OK 99 100 100 99 2.8-4.6 4.3=84, 787/944=55...(10) HB2 LYS 75 + H ASN 74 OK 35 83 70 61 4.3-7.3 1.8/325=22, 803/4.6=19...(6) HB3 ARG 23 - H ARG 26 poor 7 34 20 - 4.9-6.3 HB2 ARG 69 - H ASN 74 far 4 83 5 - 5.5-9.9 HB2 ARG 23 - H ARG 26 far 2 36 5 - 5.5-6.4 HB3 ARG 84 - H ARG 26 far 0 42 0 - 6.1-41.7 HB2 LYS 75 - H ARG 26 far 0 42 0 - 7.3-24.2 HB2 ARG 23 - H ASN 74 far 0 73 0 - 8.6-19.7 HB2 LYS 85 - H ARG 26 far 0 42 0 - 8.8-41.2 HB2 ARG 17 - H ASN 74 far 0 89 0 - 9.8-29.6 Violated in 2 structures by 0.01 A. Peak 325 from nnoeabs.peaks (1.78, 8.15, 119.01 ppm; 3.98 A): 3 out of 13 assignments used, quality = 0.99: * HB3 LYS 73 + H ASN 74 OK 98 100 100 98 2.1-4.3 4.3=80, 1.8/324=54...(10) HB3 LYS 75 + H ASN 74 OK 51 97 80 65 3.5-6.2 1.8/324=19, 3965=18...(9) HG3 ARG 26 + H ARG 26 OK 27 28 100 95 2.0-3.5 4.9=53, 2901/3.0=23...(21) HB2 ARG 69 - H ASN 74 far 0 71 0 - 5.5-9.9 HG3 ARG 71 - H ASN 74 far 0 68 0 - 5.8-9.9 HB3 ARG 84 - H ARG 26 far 0 34 0 - 6.1-41.7 HB2 LYS 83 - H ASN 74 far 0 100 0 - 7.4-23.9 HB3 LYS 75 - H ARG 26 far 0 54 0 - 8.1-25.8 HB2 LYS 13 - H ARG 26 far 0 52 0 - 8.5-27.6 HB2 LYS 85 - H ARG 26 far 0 34 0 - 8.8-41.2 HB ILE 33 - H ARG 26 far 0 55 0 - 8.9-10.2 HG3 ARG 71 - H ARG 26 far 0 33 0 - 8.9-15.8 HB3 ARG 82 - H ARG 26 far 0 52 0 - 9.4-37.2 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (1.39, 8.15, 119.01 ppm; 4.94 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 73 + H ASN 74 OK 99 100 100 99 2.4-5.7 2963/3.6=69, 2.9/324=61...(12) QB ALA 77 + H ASN 74 OK 66 96 70 98 3.9-11.3 16040/3.0=87, ~16039=39...(9) HG3 LYS 75 + H ASN 74 OK 43 100 65 66 4.1-7.3 2.7/3965=27, 2.7/3964=23...(6) HG2 LYS 75 + H ASN 74 OK 33 100 50 66 5.1-7.4 2.7/3965=27, 2.7/3964=23...(7) HG3 ARG 69 - H ASN 74 poor 14 97 35 40 5.6-9.8 2816/4.5=18, 2818/4.3=11...(4) QB ALA 20 - H ARG 26 poor 13 54 25 - 3.1-8.6 QB ALA 78 - H ASN 74 far 10 100 10 - 5.5-12.5 HB3 ARG 69 - H ASN 74 poor 9 99 30 29 5.3-10.0 2800/4.5=12, 2802/4.3=9 QB ALA 16 - H ARG 26 poor 6 30 20 - 4.8-17.7 HG2 LYS 75 - H ARG 26 far 0 58 0 - 6.4-24.2 HG3 LYS 75 - H ARG 26 far 0 58 0 - 6.8-24.5 QB ALA 20 - H ASN 74 far 0 97 0 - 7.0-20.0 QB ALA 16 - H ASN 74 far 0 63 0 - 8.3-25.9 HG2 LYS 83 - H ASN 74 far 0 85 0 - 8.7-25.5 HG2 LYS 85 - H ARG 26 far 0 54 0 - 8.8-42.8 QB ALA 78 - H ARG 26 far 0 58 0 - 9.7-24.3 Violated in 0 structures by 0.00 A. Peak 333 from nnoeabs.peaks (4.62, 8.09, 121.69 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 74 + H LYS 75 OK 100 100 100 100 2.4-3.5 3.6=100 HA ASN 80 - H LYS 85 far 0 52 0 - 7.2-14.9 HA ASN 80 - H LYS 75 far 0 99 0 - 8.8-15.9 HA PRO 36 - H LYS 85 far 0 50 0 - 9.9-38.5 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 3 assignments used, quality = 0.93: * HB2 ASN 74 + H LYS 75 OK 88 100 100 88 2.9-4.6 4.6=73, 797/4.6=30...(7) HB3 ASN 74 + H LYS 75 OK 47 57 100 82 2.0-4.7 4.6=73, 797/4.6=17...(6) HB3 ASP 67 - H LYS 75 far 0 65 0 - 9.7-14.6 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 = 0.95: * HB3 ASN 74 + H LYS 75 OK 90 100 100 90 2.0-4.7 4.6=79, 798/4.6=31...(9) HB2 ASN 74 + H LYS 75 OK 50 57 100 88 2.9-4.6 4.6=79, 798/4.6=17...(7) HB3 ASN 80 - H LYS 85 far 0 31 0 - 6.3-16.1 HB3 ASN 80 - H LYS 75 far 0 71 0 - 6.8-18.1 Violated in 0 structures by 0.00 A. Peak 339 from nnoeabs.peaks (4.24, 7.96, 120.67 ppm; 3.08 A): 2 out of 5 assignments used, quality = 0.98: * HA LYS 75 + H VAL 76 OK 96 100 100 96 2.1-3.5 3975=72, 3.0/340=39...(12) HA ALA 77 + H VAL 76 OK 36 97 50 74 4.1-5.2 3.0/5433=36, 5856/3.0=15...(9) HA ALA 20 - H VAL 76 far 0 89 0 - 7.6-27.0 HB THR 37 - H VAL 76 far 0 81 0 - 8.7-18.8 HA GLU 19 - H VAL 76 far 0 95 0 - 9.5-30.6 Violated in 16 structures by 0.13 A. Peak 340 from nnoeabs.peaks (1.84, 7.96, 120.67 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.98: * HB2 LYS 75 + H VAL 76 OK 98 100 100 98 2.5-3.9 3.0/3975=62, 3976=52...(12) HB2 LYS 73 - H VAL 76 far 12 83 15 - 4.8-11.0 HB3 ARG 71 - H VAL 76 far 0 97 0 - 5.7-13.5 HB2 ARG 71 - H VAL 76 far 0 97 0 - 7.1-13.9 HB2 ARG 23 - H VAL 76 far 0 100 0 - 8.5-23.1 Violated in 9 structures by 0.05 A. Peak 341 from nnoeabs.peaks (1.79, 7.96, 120.67 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.99: * HB3 LYS 75 + H VAL 76 OK 98 100 100 98 3.5-4.4 3.0/3975=64, 4.6=55...(14) HB3 LYS 73 + H VAL 76 OK 29 97 45 67 3.4-9.9 3.0/5431=41, 3977=15...(9) HB2 ARG 69 - H VAL 76 far 0 92 0 - 6.2-15.1 HB2 LYS 83 - H VAL 76 far 0 99 0 - 9.6-20.0 HB3 ARG 82 - H VAL 76 far 0 78 0 - 9.8-17.4 Violated in 12 structures by 0.04 A. Peak 349 from nnoeabs.peaks (3.97, 8.23, 126.87 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.96: * HA VAL 76 + H ALA 77 OK 96 100 100 96 2.1-3.5 3.6=70, 3.0/350=41...(15) HA2 GLY 72 - H ALA 77 far 0 100 0 - 5.8-13.8 HA3 GLY 21 - H ALA 77 far 0 89 0 - 6.0-26.8 HA2 GLY 21 - H ALA 77 far 0 90 0 - 6.7-27.4 HA ARG 66 - H ALA 77 far 0 98 0 - 9.1-18.8 Violated in 13 structures by 0.11 A. Peak 350 from nnoeabs.peaks (2.04, 8.23, 126.87 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.98: * HB VAL 76 + H ALA 77 OK 98 100 100 98 3.0-4.4 3.0/349=66, 4.4=59...(12) HD2 ARG 69 - H ALA 77 far 5 93 5 - 4.2-16.2 HD3 ARG 69 - H ALA 77 far 5 93 5 - 4.9-15.7 HB VAL 45 - H ALA 77 far 0 81 0 - 6.2-20.2 Violated in 13 structures by 0.12 A. Peak 351 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 76 + H ALA 77 OK 99 100 100 99 2.3-4.4 2.1/350=70, 4.3=66...(14) * QG1 VAL 76 + H ALA 77 OK 99 100 100 99 2.1-4.4 2.1/350=70, 4.3=66...(13) QG2 VAL 41 - H ALA 77 far 0 93 0 - 6.2-14.2 QG2 ILE 40 - H ALA 77 far 0 98 0 - 8.8-15.1 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 4 assignments used, quality = 1.00: * QG2 VAL 76 + H ALA 77 OK 99 100 100 99 2.3-4.4 2.1/350=70, 4.3=66...(14) QG1 VAL 76 + H ALA 77 OK 99 100 100 99 2.1-4.4 2.1/350=70, 4.3=66...(13) QG2 VAL 41 - H ALA 77 far 0 93 0 - 6.2-14.2 QG2 ILE 40 - H ALA 77 far 0 98 0 - 8.8-15.1 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 = 0.93: * HA ALA 77 + H ALA 78 OK 82 100 100 82 2.1-3.5 3.6=59, 2.1/355=30...(11) 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 15 97 15 - 3.6-9.6 HA ALA 20 - H ALA 78 far 0 65 0 - 8.2-30.1 HA GLU 19 - H ALA 78 far 0 76 0 - 8.4-32.9 HA LYS 83 - H ALA 78 far 0 98 0 - 8.4-14.1 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 9 assignments used, quality = 0.98: QB ALA 78 + H ALA 78 OK 90 96 100 94 2.0-2.9 2.9=92, 3.6/5857=12...(5) * QB ALA 77 + H ALA 78 OK 78 100 100 78 2.1-3.7 3.6=51, 2.1/354=32...(13) HG3 LYS 73 - H ALA 78 far 5 96 5 - 3.7-16.3 HG2 LYS 75 - H ALA 78 far 0 93 0 - 5.3-11.9 HG3 ARG 69 - H ALA 78 far 0 100 0 - 5.8-19.2 HG3 LYS 75 - H ALA 78 far 0 93 0 - 6.6-12.5 HG2 LYS 83 - H ALA 78 far 0 99 0 - 6.9-17.6 HB3 ARG 69 - H ALA 78 far 0 85 0 - 7.1-20.3 QB ALA 20 - H ALA 78 far 0 100 0 - 7.2-26.8 Violated in 0 structures by 0.00 A. Peak 357 from nnoeabs.peaks (4.21, 8.22, 118.71 ppm; 4.57 A): 3 out of 5 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 2.3-2.9 3.0=100 HA ALA 77 + H GLN 79 OK 43 65 90 74 3.3-6.3 2.1/358=30, 3.6/5857=30...(10) HA LYS 73 - H GLN 79 far 7 69 10 - 4.9-17.4 HA LYS 85 - H GLN 79 far 0 76 0 - 9.5-19.2 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 9 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 54 96 80 71 2.2-6.2 3.6/5857=23, 2.1/3176=19...(12) HG3 LYS 73 - H GLN 79 far 10 100 10 - 3.0-17.9 HG2 LYS 75 - H GLN 79 far 5 100 5 - 4.4-13.2 HG2 LYS 83 - H GLN 79 far 0 85 0 - 6.0-16.6 HG3 LYS 75 - H GLN 79 far 0 100 0 - 6.0-13.9 QB ALA 20 - H GLN 79 far 0 97 0 - 6.4-26.1 HG3 ARG 69 - H GLN 79 far 0 97 0 - 8.2-19.9 HB3 ARG 69 - H GLN 79 far 0 99 0 - 9.0-19.4 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 5 assignments used, quality = 1.00: * HA ARG 82 + H LYS 83 OK 100 100 100 100 2.1-3.1 3.6=100 HA ARG 84 + H LYS 83 OK 81 99 100 82 4.8-5.6 3.9/5896=37, 6062/4.0=33...(9) HA GLN 79 - H LYS 83 far 8 83 10 - 6.3-12.3 HA ALA 78 - H LYS 83 far 0 60 0 - 7.2-11.9 HA LYS 73 - H LYS 83 far 0 100 0 - 9.9-23.8 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 4 assignments used, quality = 1.00: * HB2 ARG 82 + H LYS 83 OK 100 100 100 100 2.7-4.5 4.4=100 HB3 LYS 83 + H LYS 83 OK 76 76 100 100 2.4-3.9 4.0=100 HB3 LYS 85 - H LYS 83 far 0 63 0 - 6.0-9.5 HG2 ARG 70 - H LYS 83 far 0 93 0 - 9.9-27.6 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 4 assignments used, quality = 0.98: * HB3 ARG 82 + H LYS 83 OK 88 100 100 88 3.8-4.6 4.4=66, 5479/5.0=40...(6) HB2 LYS 83 + H LYS 83 OK 87 90 100 96 2.2-3.8 4.0=88, 1.8/833=39...(10) HB3 LYS 73 - H LYS 83 far 0 96 0 - 7.1-22.1 HG3 ARG 26 - H LYS 83 far 0 89 0 - 9.8-37.5 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 9 assignments used, quality = 1.00: * HA LYS 83 + H ARG 84 OK 100 100 100 100 2.1-3.5 3.6=100 HA LYS 85 + H ARG 84 OK 62 93 100 67 4.5-5.6 ~377=24, 3999=20...(9) HB THR 37 - H ALA 28 poor 17 65 35 74 4.7-7.6 ~6128=41, ~5532=33...(6) HA LEU 64 - H ALA 28 far 0 71 0 - 7.2-8.8 HA LYS 85 - H ALA 28 far 0 76 0 - 8.4-41.1 HA ALA 20 - H ALA 28 far 0 69 0 - 8.5-13.6 HA THR 15 - H ALA 28 far 0 86 0 - 9.1-22.0 HA GLU 19 - H ALA 28 far 0 76 0 - 9.3-15.5 HA ALA 77 - H ARG 84 far 0 97 0 - 9.5-17.1 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 11 assignments used, quality = 0.98: * HB2 LYS 83 + H ARG 84 OK 90 100 100 90 1.9-4.6 4.3=70, 1.8/842=31...(11) HB3 ARG 84 + H ARG 84 OK 79 81 100 98 2.5-4.0 4.0=88, 1.8/842=35...(15) HB3 ARG 82 - H ARG 84 far 14 90 15 - 3.9-7.9 HB2 LYS 85 - H ARG 84 far 4 81 5 - 3.9-7.5 HB ILE 33 - H ALA 28 far 0 77 0 - 5.5-6.6 HB2 LYS 13 - H ALA 28 far 0 83 0 - 7.9-25.8 HB3 LYS 73 - H ARG 84 far 0 100 0 - 8.5-23.9 HB2 LYS 32 - H ALA 28 far 0 83 0 - 8.7-10.3 HB3 LYS 32 - H ALA 28 far 0 83 0 - 9.2-10.6 HB3 LYS 75 - H ALA 28 far 0 84 0 - 9.3-23.6 HB2 LYS 85 - H ALA 28 far 0 63 0 - 9.9-40.5 Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.72, 8.20, 122.31 ppm; 3.73 A): 3 out of 9 assignments used, quality = 1.00: HB2 ARG 84 + H ARG 84 OK 97 98 100 98 2.2-3.9 4.0=83, 1.8/843=42...(18) * HB3 LYS 83 + H ARG 84 OK 89 100 100 89 1.9-4.4 4.3=66, 1.8/368=38...(8) HB2 LEU 29 + H ALA 28 OK 36 86 45 92 4.5-6.2 546/76=59, 3764/5538=33...(10) HB3 LYS 85 - H ARG 84 poor 15 100 25 60 4.5-6.8 6062/3.0=24, 851/4.6=18...(8) HB2 ARG 82 - H ARG 84 poor 6 76 35 21 2.4-6.7 833/4.6=13, 3280/3.6=7 HB3 LEU 64 - H ALA 28 far 0 65 0 - 5.3-7.9 HG2 ARG 70 - H ARG 84 far 0 98 0 - 7.6-30.6 HB3 ARG 17 - H ALA 28 far 0 52 0 - 8.1-18.9 HB2 ARG 84 - H ALA 28 far 0 82 0 - 9.5-40.1 Violated in 0 structures by 0.00 A. Peak 377 from nnoeabs.peaks (4.18, 8.11, 122.06 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.99: * HA ARG 84 + H LYS 85 OK 99 100 100 99 2.1-3.5 3.6=95, 3.0/378=24...(19) HA LYS 73 + H LYS 75 OK 29 52 85 65 3.3-7.1 5431/4.6=25, 4008=24...(9) HA ARG 82 - H LYS 85 far 0 99 0 - 6.2-9.6 HA ALA 78 - H LYS 75 far 0 35 0 - 6.8-11.6 HA GLN 79 - H LYS 75 far 0 47 0 - 8.1-13.6 Violated in 0 structures by 0.00 A. Peak 378 from nnoeabs.peaks (1.73, 8.11, 122.06 ppm; 3.75 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 85 + H LYS 85 OK 96 100 100 96 2.2-3.5 4.0=80, 387/4.7=33...(10) * HB2 ARG 84 + H LYS 85 OK 92 100 100 92 2.0-4.5 4.6=53, 3.0/377=47...(11) HB3 LYS 83 - H LYS 85 far 15 98 15 - 2.7-7.5 HG3 ARG 71 - H LYS 75 far 0 31 0 - 5.5-11.7 HG3 ARG 26 - H LYS 85 far 0 78 0 - 6.0-42.5 HG2 ARG 70 - H LYS 75 far 0 41 0 - 6.1-10.3 HB2 LEU 29 - H LYS 85 far 0 97 0 - 7.9-44.4 HG2 ARG 70 - H LYS 85 far 0 87 0 - 8.8-32.9 HB3 ARG 17 - H LYS 75 far 0 42 0 - 9.5-32.0 HG3 ARG 71 - H LYS 85 far 0 71 0 - 9.9-36.2 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 9 assignments used, quality = 1.00: HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.6-4.1 4.0=82, 1.8/851=38...(8) * HB3 ARG 84 + H LYS 85 OK 94 100 100 94 2.2-4.3 4.6=55, 3.0/377=48...(12) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.1-4.1 4.0=85, 341/4.6=24...(16) HB2 LYS 73 - H LYS 75 poor 20 38 75 68 3.9-7.9 3.0/4008=20, 324/4.6=17...(12) HB3 LYS 73 - H LYS 75 poor 19 31 85 72 2.2-6.9 3.0/4008=20, 1.8/3076=19...(12) HB2 LYS 83 - H LYS 85 far 4 81 5 - 3.5-8.3 HB2 ARG 69 - H LYS 75 far 0 54 0 - 6.7-12.6 HB2 LYS 83 - H LYS 75 far 0 37 0 - 9.8-22.2 HB ILE 89 - H LYS 85 far 0 81 0 - 9.8-16.3 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 3 assignments used, quality = 0.82: * HA LYS 85 + H LEU 86 OK 82 100 100 82 2.3-2.9 3.6=59, 3.0/387=31...(4) HA LYS 83 - H LEU 86 far 0 93 0 - 7.4-9.8 HB THR 37 - H LEU 86 far 0 99 0 - 7.6-38.7 Violated in 0 structures by 0.00 A. Peak 386 from nnoeabs.peaks (1.80, 8.27, 123.92 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 85 + H LEU 86 OK 99 100 100 99 2.0-4.6 3.0/385=81, 1.8/387=78...(8) HB3 ARG 84 - H LEU 86 poor 6 100 20 30 2.6-8.1 379/4.7=16, 3425/385=15 HB2 LYS 83 - H LEU 86 far 0 81 0 - 7.4-11.4 HB ILE 89 - H LEU 86 far 0 81 0 - 7.8-13.5 HB3 LYS 39 - H LEU 86 far 0 83 0 - 9.5-38.5 Violated in 2 structures by 0.04 A. Peak 387 from nnoeabs.peaks (1.72, 8.27, 123.92 ppm; 4.12 A): 1 out of 8 assignments used, quality = 0.99: * HB3 LYS 85 + H LEU 86 OK 99 100 100 99 3.3-4.6 3.0/385=80, 4.6=72...(4) HB2 ARG 84 - H LEU 86 far 15 100 15 - 2.6-7.6 HB2 LEU 29 - H LEU 86 far 0 99 0 - 5.7-45.9 HB3 LYS 83 - H LEU 86 far 0 100 0 - 5.9-10.7 HB2 ARG 82 - H LEU 86 far 0 63 0 - 5.9-13.4 HG3 ARG 26 - H LEU 86 far 0 68 0 - 6.7-44.9 HG2 ARG 70 - H LEU 86 far 0 93 0 - 8.3-35.2 HG3 ARG 71 - H LEU 86 far 0 60 0 - 9.3-38.6 Violated in 3 structures by 0.05 A. Peak 395 from nnoeabs.peaks (4.30, 8.42, 121.83 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 87 + H GLU 87 OK 93 93 100 100 2.8-2.9 3.0=100 * HA LEU 86 + H GLU 87 OK 89 100 100 89 2.1-3.6 3.6=60, 3.0/397=29...(11) HA THR 88 - H GLU 87 far 0 78 0 - 4.7-6.0 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 2.8-4.6 4.6=100 HG LEU 86 + H GLU 87 OK 85 90 100 95 2.0-5.4 3.0/397=71, 5.3/5898=43...(9) HG3 ARG 84 - H GLU 87 far 0 81 0 - 6.3-11.7 HG2 ARG 84 - H GLU 87 far 0 81 0 - 6.9-11.9 HG2 ARG 26 - H GLU 87 far 0 99 0 - 7.0-48.8 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 2 assignments used, quality = 0.99: * HB3 LEU 86 + H GLU 87 OK 99 100 100 99 2.2-4.4 4.6=83, 861/5898=56...(11) HB3 LEU 29 - H GLU 87 far 4 89 5 - 5.3-49.3 Violated in 2 structures by 0.00 A. Peak 402 from nnoeabs.peaks (4.32, 8.13, 115.78 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.87: * HA GLU 87 + H THR 88 OK 87 100 100 87 2.1-3.5 3.6=80, 3.0/4032=17...(5) HA LEU 86 - H THR 88 poor 7 93 25 30 3.3-7.0 866/4.6=15, 3568/4.6=9...(4) Violated in 5 structures by 0.05 A. Peak 408 from nnoeabs.peaks (4.28, 8.17, 124.35 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.84: * HA THR 88 + H ILE 89 OK 84 100 100 84 2.1-3.1 3.5=65, 3590/409=32...(6) HA LEU 86 - H ILE 89 far 0 78 0 - 6.5-9.6 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 3 assignments used, quality = 0.99: * HB THR 88 + H ILE 89 OK 99 100 100 99 2.3-4.2 4.4=85, 3590/408=81...(4) HA GLN 91 - H ILE 89 far 0 93 0 - 6.1-9.0 HA ALA 30 - H ILE 89 far 0 90 0 - 8.9-56.9 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 2.1-4.4 3.9=91, 3.2/408=66...(7) HG12 ILE 89 + H ILE 89 OK 97 100 100 97 2.0-4.0 1.8/5269=65, 2.9/877=63...(6) 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 4 assignments used, quality = 0.98: * HA ILE 89 + H VAL 90 OK 98 100 100 98 2.1-3.3 4038=98, 5432/3.9=10, 5430/4.0=2 HA LEU 29 - H VAL 90 far 0 98 0 - 5.1-55.4 HA LEU 29 - H ALA 12 far 0 50 0 - 8.9-27.3 HB THR 15 - H ALA 12 far 0 54 0 - 9.6-14.3 Violated in 4 structures by 0.01 A. Peak 414 from nnoeabs.peaks (0.84, 8.27, 125.92 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 89 + H VAL 90 OK 100 100 100 100 2.2-4.2 4.4=100 QD2 LEU 29 - H VAL 90 far 5 100 5 - 3.6-45.7 QD2 LEU 86 - H VAL 90 lone 1 98 25 5 3.7-12.5 5268/4.6=2, 3600/412=2 QD2 LEU 29 - H ALA 12 far 0 53 0 - 6.5-24.7 QD1 LEU 43 - H ALA 12 far 0 48 0 - 9.7-32.0 QD2 LEU 64 - H VAL 90 far 0 100 0 - 9.8-42.9 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 = 0.84: * HA VAL 90 + H GLN 91 OK 84 100 100 84 2.1-3.0 4044=82, 3641/3.6=7, ~3662=3 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 2 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 2.4-4.0 3.6=100 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 4 assignments used, quality = 1.00: * QG1 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-3.9 4.1=100 QG2 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-4.4 4.1=100 QD1 LEU 86 - H GLN 91 far 0 96 0 - 7.3-14.2 QD1 LEU 29 - H GLN 91 far 0 83 0 - 9.9-51.2 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 4 assignments used, quality = 1.00: * QG2 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-4.4 4.1=100 QG1 VAL 90 + H GLN 91 OK 100 100 100 100 2.0-3.9 4.1=100 QD1 LEU 86 - H GLN 91 far 0 97 0 - 7.3-14.2 QD1 LEU 29 - H GLN 91 far 0 85 0 - 9.9-51.2 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 2.5-3.7 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: HB3 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.6-3.7 3.5=91, 4.1/5089=31...(8) * HB2 ASN 42 + HD21 ASN 42 OK 96 100 100 96 3.5-4.1 3.5=91, 4.1/5089=31...(7) Violated in 3 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: * HB3 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.6-3.7 3.5=91, 4.1/5089=31...(8) HB2 ASN 42 + HD21 ASN 42 OK 96 100 100 96 3.5-4.1 3.5=91, 4.1/5089=31...(7) Violated in 3 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 - 9.4-11.8 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 2 assignments used, quality = 1.00: * HB2 ASN 42 + HD22 ASN 42 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 ASN 42 + HD22 ASN 42 OK 100 100 100 100 2.7-3.7 3.5=100 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 2 assignments used, quality = 1.00: * HB3 ASN 42 + HD22 ASN 42 OK 100 100 100 100 2.7-3.7 3.5=100 HB2 ASN 42 + HD22 ASN 42 OK 100 100 100 100 3.5-4.1 3.5=100 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 2 assignments used, quality = 1.00: * HD21 ASN 42 + HD22 ASN 42 OK 100 100 100 100 1.7-1.7 1.7=100 H VAL 41 - HD22 ASN 42 far 15 100 15 - 3.6-5.6 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 3.6-4.7 649=100, 650/1.7=95...(7) H VAL 45 - HD21 ASN 49 poor 17 68 25 - 6.1-7.4 H VAL 45 - HE22 GLN 79 far 7 66 10 - 4.8-29.4 H ASN 49 - HE22 GLN 79 far 0 99 0 - 8.9-29.6 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 5 assignments used, quality = 1.00: * HB2 ASN 49 + HD21 ASN 49 OK 100 100 100 100 3.4-3.7 3.5=100 HB3 PHE 48 - HD21 ASN 49 far 0 90 0 - 5.7-7.9 HB3 PHE 48 - HE22 GLN 79 far 0 89 0 - 7.8-28.6 HB2 ASP 67 - HE22 GLN 79 far 0 99 0 - 8.5-24.1 HB2 ASN 49 - HE22 GLN 79 far 0 99 0 - 9.1-29.3 Violated in 0 structures by 0.00 A. Peak 438 from nnoeabs.peaks (2.68, 6.86, 112.13 ppm; 4.02 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ASN 49 + HD21 ASN 49 OK 100 100 100 100 3.6-4.1 3.5=100 HB2 ASP 46 + HD21 ASN 49 OK 32 81 45 89 4.3-8.4 3.0/4496=50, ~5359=37...(8) HB2 ASN 80 - HE22 GLN 79 far 7 69 10 - 3.3-10.3 HB2 ASN 80 - HD21 ASN 49 far 0 71 0 - 6.4-31.8 HB2 ASP 47 - HD21 ASN 49 far 0 96 0 - 6.7-9.7 HB2 ASP 47 - HE22 GLN 79 far 0 94 0 - 8.7-33.9 HB2 ASP 46 - HE22 GLN 79 far 0 79 0 - 9.3-34.5 Violated in 4 structures by 0.01 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 - 9.6-31.2 Violated in 0 structures by 0.00 A. Peak 441 from nnoeabs.peaks (8.65, 7.83, 112.13 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 49 + HD22 ASN 49 OK 100 100 100 100 1.9-4.2 650=100, 649/1.7=78...(8) H VAL 45 + HD22 ASN 49 OK 40 68 65 90 5.5-6.8 4.0/4499=64, 4.0/4500=63...(5) 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 2 assignments used, quality = 1.00: * HA ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.3-4.4 4.4=100 HA ALA 53 - HD22 ASN 49 far 0 71 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 443 from nnoeabs.peaks (2.90, 7.83, 112.13 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.1-2.8 3.5=100 HB3 PHE 48 - HD22 ASN 49 poor 14 90 25 64 4.4-7.8 4.3/650=33, 4408/4420=14...(7) Violated in 0 structures by 0.00 A. Peak 444 from nnoeabs.peaks (2.68, 7.83, 112.13 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.6-3.5 3.5=100 HB2 ASP 46 + HD22 ASN 49 OK 30 81 45 84 4.5-7.3 3.0/5359=47, ~4496=29...(8) HB2 ASP 47 - HD22 ASN 49 far 0 96 0 - 6.2-9.0 HB2 ASN 80 - HD22 ASN 49 far 0 71 0 - 7.0-30.0 Violated in 0 structures by 0.00 A. Peak 445 from nnoeabs.peaks (6.86, 7.83, 112.13 ppm; 2.52 A): 1 out of 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 - 9.6-31.2 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 2.2-3.6 3.5=100 HB3 ASP 67 - HD21 ASN 74 far 0 65 0 - 9.4-14.2 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 2.2-3.6 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 - 6.8-21.2 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 - 6.6-19.3 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 3.3-5.1 4.4=100 HA ASN 80 + HD22 ASN 80 OK 95 95 100 100 3.4-5.2 4.3=100 HA ASN 74 - HD22 ASN 80 far 10 97 10 - 4.8-19.3 HA ASN 80 - HD22 ASN 74 far 0 99 0 - 9.3-19.3 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 6 assignments used, quality = 1.00: * HB2 ASN 74 + HD22 ASN 74 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 57 57 100 100 2.3-4.1 3.5=100 HB2 ASN 74 - HD22 ASN 80 far 10 97 10 - 4.3-19.3 HB3 ASN 74 - HD22 ASN 80 far 0 53 0 - 6.0-18.1 HB3 ASP 67 - HD22 ASN 80 far 0 60 0 - 9.3-27.0 HB3 ASP 67 - HD22 ASN 74 far 0 65 0 - 9.6-14.9 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 2.3-4.1 3.5=100 HB3 ASN 80 + HD22 ASN 80 OK 66 66 100 100 3.4-4.1 3.5=100 HB2 ASN 74 + HD22 ASN 74 OK 57 57 100 100 3.4-4.1 3.5=100 HB2 ASN 74 - HD22 ASN 80 far 5 53 10 - 4.3-19.3 HB3 ASN 74 - HD22 ASN 80 far 0 97 0 - 6.0-18.1 HB3 ASN 80 - HD22 ASN 74 far 0 71 0 - 6.6-21.4 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 2 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 - 6.6-19.3 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 poor 11 36 80 40 3.3-6.4 408/4.6=39 HA ALA 20 - H ALA 12 far 0 100 0 - 8.3-29.5 HA GLU 19 - H ALA 12 far 0 100 0 - 8.4-26.1 HA THR 15 - H ALA 12 far 0 96 0 - 9.3-12.2 HA ARG 17 - H ALA 12 far 0 83 0 - 9.7-18.9 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 2.1-2.8 2.9=100 HG3 LYS 32 - H ALA 12 far 5 100 5 - 5.0-27.5 HG3 LYS 32 - H VAL 90 far 0 53 0 - 7.1-57.9 QB ALA 16 - H ALA 12 far 0 65 0 - 7.8-13.3 QB ALA 28 - H VAL 90 far 0 52 0 - 8.1-42.2 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 1 assignment used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 100 100 2.8-2.9 3.0=100 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 4 assignments used, quality = 1.00: * HB2 LYS 13 + H LYS 13 OK 100 100 100 100 2.7-4.0 3.9=100 HB3 LYS 32 - H LYS 13 far 0 90 0 - 7.2-29.2 HB3 LYS 39 - H LYS 13 far 0 99 0 - 7.5-35.0 HB2 LYS 32 - H LYS 13 far 0 90 0 - 8.2-27.6 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 4 assignments used, quality = 0.99: * HB3 LYS 13 + H LYS 13 OK 95 100 100 95 2.2-3.8 3.9=78, 3.0/470=42...(7) HD3 LYS 13 + H LYS 13 OK 58 90 70 92 2.0-6.0 2.9/470=43, 2.9/471=40...(17) HD2 LYS 13 + H LYS 13 OK 54 90 65 92 2.3-5.9 2.9/470=43, 2.9/471=40...(17) HG LEU 29 - H LYS 13 far 0 99 0 - 5.5-26.6 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 3 assignments used, quality = 0.98: * HG2 LYS 13 + H LYS 13 OK 98 100 100 98 2.0-4.4 4.9=69, 993/3.0=41...(13) QB ALA 30 - H LYS 13 far 4 78 5 - 5.8-23.6 HG3 LYS 39 - H LYS 13 far 0 85 0 - 8.9-34.2 Violated in 1 structures by 0.00 A. Peak 471 from nnoeabs.peaks (1.46, 8.27, 122.13 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.99: * HG3 LYS 13 + H LYS 13 OK 99 100 100 99 2.0-4.6 4.9=76, 994/3.0=45...(14) QB ALA 30 - H LYS 13 far 10 97 10 - 5.8-23.6 Violated in 2 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 2.3-2.9 3.0=100 HA LYS 39 - H THR 15 far 0 100 0 - 6.5-29.1 HA ALA 12 - H THR 15 far 0 96 0 - 6.6-9.8 HA GLU 19 - H THR 15 far 0 97 0 - 8.1-16.0 HA ALA 20 - H THR 15 far 0 92 0 - 8.8-19.4 Violated in 0 structures by 0.00 A. Peak 478 from nnoeabs.peaks (4.17, 8.20, 114.71 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 15 + H THR 15 OK 100 100 100 100 2.6-4.0 4.0=100 HA LEU 29 - H THR 15 far 5 99 5 - 5.1-22.2 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 3 assignments used, quality = 1.00: * QG2 THR 15 + H THR 15 OK 100 100 100 100 2.0-4.0 3.9=100 HG13 ILE 33 - H THR 15 far 0 63 0 - 8.6-20.7 QG2 THR 37 - H THR 15 far 0 83 0 - 8.6-19.3 Violated in 0 structures by 0.00 A. Peak 480 from nnoeabs.peaks (8.36, 8.36, 126.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 16 + H ALA 16 OK 100 100 - 100 Peak 481 from nnoeabs.peaks (4.31, 8.36, 126.99 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 16 + H ALA 16 OK 100 100 100 100 2.8-2.9 2.9=100 HA PRO 34 - H ALA 16 far 0 99 0 - 6.4-28.0 Violated in 0 structures by 0.00 A. Peak 482 from nnoeabs.peaks (1.36, 8.36, 126.99 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.1-2.8 2.9=100 QB ALA 20 - H ALA 16 far 4 87 5 - 4.7-14.1 QB ALA 28 - H ALA 16 far 0 81 0 - 5.8-17.5 QB ALA 12 - H ALA 16 far 0 65 0 - 5.9-10.9 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 6 assignments used, quality = 1.00: * HA ARG 17 + H ARG 17 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 19 - H ARG 17 far 0 81 0 - 5.9-8.7 HA ALA 20 - H ARG 17 far 0 89 0 - 7.1-12.1 HA ASP 38 - H ARG 17 far 0 100 0 - 7.9-21.6 HA LYS 39 - H ARG 17 far 0 63 0 - 9.8-24.9 HA ALA 12 - H ARG 17 far 0 83 0 - 10.0-16.2 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 4 assignments used, quality = 1.00: * HB2 ARG 17 + H ARG 17 OK 100 100 100 100 2.1-4.0 4.0=100 HB3 ARG 71 - H ARG 17 far 0 93 0 - 8.4-27.5 HB2 LYS 39 - H ARG 17 far 0 92 0 - 8.7-24.4 HB2 ARG 71 - H ARG 17 far 0 95 0 - 9.7-27.0 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 2.4-4.1 4.0=100 HB2 LEU 29 - H ARG 17 far 7 65 10 - 3.7-23.3 HB ILE 33 - H ARG 17 far 0 71 0 - 7.8-23.0 HB3 LYS 32 - H ARG 17 far 0 57 0 - 8.0-28.2 HG3 ARG 26 - H ARG 17 far 0 100 0 - 8.3-21.3 HG3 ARG 71 - H ARG 17 far 0 99 0 - 8.4-27.4 HB2 LYS 32 - H ARG 17 far 0 57 0 - 9.4-26.9 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 7 assignments used, quality = 1.00: HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.2-4.8 5.0=75, 1151/3.0=39...(13) * HG2 ARG 17 + H ARG 17 OK 98 100 100 98 2.2-4.9 5.0=75, 1150/3.0=39...(13) HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.2-29.2 HD2 LYS 32 - H ARG 17 far 0 99 0 - 7.7-29.4 HG2 ARG 26 - H ARG 17 far 0 100 0 - 8.1-22.8 HG2 ARG 71 - H ARG 17 far 0 100 0 - 8.5-27.4 HG3 ARG 70 - H ARG 17 far 0 99 0 - 9.8-29.7 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 7 assignments used, quality = 1.00: * HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.2-4.8 5.0=75, 1151/3.0=39...(13) HG2 ARG 17 + H ARG 17 OK 98 100 100 98 2.2-4.9 5.0=75, 1150/3.0=39...(13) HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.2-29.2 HD2 LYS 32 - H ARG 17 far 0 98 0 - 7.7-29.4 HG2 ARG 26 - H ARG 17 far 0 100 0 - 8.1-22.8 HG2 ARG 71 - H ARG 17 far 0 100 0 - 8.5-27.4 HG3 ARG 70 - H ARG 17 far 0 99 0 - 9.8-29.7 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): 2 out of 8 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 OK 57 100 90 64 4.4-5.6 1219/3.9=18, 1213/493=15...(10) HA THR 15 - H GLU 19 far 5 97 5 - 5.4-13.5 HA ARG 17 - H GLU 19 lone 0 81 30 1 3.4-6.9 HA ASP 38 - H GLU 19 far 0 78 0 - 5.5-20.0 HA LYS 75 - H GLU 19 far 0 95 0 - 6.0-31.0 HA ALA 77 - H GLU 19 far 0 73 0 - 9.7-32.3 HA LYS 39 - H GLU 19 far 0 99 0 - 9.8-23.7 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 5 assignments used, quality = 0.99: * HB2 GLU 19 + H GLU 19 OK 99 100 100 99 2.3-3.9 3.9=96, 3.0/495=26...(8) HB3 ARG 26 - H GLU 19 far 0 60 0 - 7.2-17.0 HB3 PRO 14 - H GLU 19 far 0 76 0 - 9.1-17.3 HB VAL 41 - H GLU 19 far 0 83 0 - 9.1-23.1 HG12 ILE 40 - H GLU 19 far 0 100 0 - 9.6-22.0 Violated in 1 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 2.5-4.1 3.9=100 HB3 GLU 25 - H GLU 19 far 9 90 10 - 5.3-14.5 HB2 GLU 25 - H GLU 19 far 5 92 5 - 4.5-13.2 HB VAL 76 - H GLU 19 far 0 99 0 - 9.4-33.5 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: * HG2 GLU 19 + H GLU 19 OK 98 100 100 98 2.2-4.9 3.0/493=68, 4.9=66...(12) HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.2-4.5 3.0/493=68, 4.9=66...(12) HG2 GLU 25 - H GLU 19 far 6 63 10 - 3.2-13.4 Violated in 0 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: HG2 GLU 19 + H GLU 19 OK 98 100 100 98 2.2-4.9 3.0/493=68, 4.9=66...(12) * HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.2-4.5 3.0/493=68, 4.9=66...(12) HG2 GLU 25 - H GLU 19 far 6 63 10 - 3.2-13.4 Violated in 0 structures by 0.00 A. Peak 497 from nnoeabs.peaks (8.45, 8.45, 124.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 20 + H ALA 20 OK 100 100 - 100 Peak 498 from nnoeabs.peaks (4.26, 8.45, 124.95 ppm; 3.31 A): 2 out of 9 assignments used, quality = 1.00: * HA ALA 20 + H ALA 20 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 19 + H ALA 20 OK 92 100 100 92 2.2-3.6 3.6=80, 3.0/29=28...(10) HA LYS 75 - H ALA 20 far 4 89 5 - 4.6-29.8 HA ASP 38 - H ALA 20 far 4 87 5 - 4.5-17.8 HA ARG 17 - H ALA 20 far 0 89 0 - 6.0-10.1 HA THR 15 - H ALA 20 far 0 92 0 - 7.4-16.8 HA ALA 77 - H ALA 20 far 0 63 0 - 9.1-32.1 HA LYS 39 - H ALA 20 far 0 97 0 - 9.1-21.2 HA ALA 12 - H ALA 20 far 0 100 0 - 9.8-26.4 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 2.0-2.9 2.9=100 QB ALA 16 - H ALA 20 far 9 87 10 - 3.4-11.6 QB ALA 78 - H ALA 20 far 5 97 5 - 3.7-27.8 HG2 LYS 75 - H ALA 20 far 5 96 5 - 4.3-28.7 HG3 LYS 75 - H ALA 20 far 5 96 5 - 4.7-29.5 QB ALA 77 - H ALA 20 far 0 100 0 - 6.9-27.7 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 7 assignments used, quality = 1.00: * HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.4-3.0 2.9=100 HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 HA3 GLY 18 - H GLY 21 far 4 76 5 - 3.9-10.2 HA2 GLY 18 - H GLY 21 far 0 73 0 - 5.2-10.4 HA2 GLY 72 - H GLY 21 far 0 97 0 - 6.4-16.2 HA VAL 76 - H GLY 21 far 0 90 0 - 8.7-27.7 HA THR 37 - H GLY 21 far 0 90 0 - 8.8-15.0 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 7 assignments used, quality = 1.00: * HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.4-3.0 2.9=100 HA3 GLY 18 - H GLY 21 far 4 78 5 - 3.9-10.2 HA2 GLY 18 - H GLY 21 far 0 76 0 - 5.2-10.4 HA2 GLY 72 - H GLY 21 far 0 96 0 - 6.4-16.2 HA VAL 76 - H GLY 21 far 0 89 0 - 8.7-27.7 HA THR 37 - H GLY 21 far 0 92 0 - 8.8-15.0 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 2 assignments used, quality = 1.00: * HA SER 22 + H SER 22 OK 100 100 100 100 2.8-2.9 2.9=100 HA TYR 81 - H SER 22 far 0 96 0 - 8.1-31.5 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 2.4-3.6 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 2.2-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 507 from nnoeabs.peaks (8.49, 8.49, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + H ARG 23 OK 100 100 - 100 Peak 508 from nnoeabs.peaks (4.13, 8.49, 122.99 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 23 + H ARG 23 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 27 - H ARG 23 far 0 97 0 - 8.0-10.0 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 2.3-3.6 4.0=100 HB2 LYS 75 - H ARG 23 far 5 100 5 - 4.8-22.0 HB3 ARG 71 - H ARG 23 far 5 99 5 - 5.9-14.8 HB2 ARG 27 - H ARG 23 far 0 99 0 - 6.2-9.5 HB2 ARG 71 - H ARG 23 far 0 99 0 - 7.2-13.8 HB3 ARG 27 - H ARG 23 far 0 99 0 - 7.3-10.3 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: * HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.3-3.6 4.0=100 HB2 ARG 23 + H ARG 23 OK 100 100 100 100 2.1-3.6 4.0=100 HB2 LYS 75 - H ARG 23 far 5 100 5 - 4.8-22.0 HB3 ARG 71 - H ARG 23 far 5 99 5 - 5.9-14.8 HB2 ARG 27 - H ARG 23 far 0 100 0 - 6.2-9.5 HB2 ARG 71 - H ARG 23 far 0 100 0 - 7.2-13.8 HB3 ARG 27 - H ARG 23 far 0 99 0 - 7.3-10.3 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 5 assignments used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 100 100 2.1-4.6 4.9=100 HD2 LYS 75 - H ARG 23 far 15 99 15 - 4.5-23.9 HD3 LYS 75 - H ARG 23 far 15 99 15 - 4.7-24.2 HB2 ARG 82 - H ARG 23 far 0 73 0 - 7.9-35.7 HG LEU 29 - H ARG 23 far 0 100 0 - 8.5-11.0 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 2.7-2.9 3.0=100 HA ASP 67 - H ASP 24 far 0 97 0 - 9.4-14.5 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 3.0-3.6 4.0=67, 52/50=33...(5) Violated in 10 structures by 0.02 A. Peak 518 from nnoeabs.peaks (2.59, 8.34, 120.23 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.81: * HB3 ASP 24 + H ASP 24 OK 81 100 100 81 2.1-2.4 4.0=65, 53/50=32...(6) 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 2.8-2.9 2.9=100 HA ARG 26 - H GLU 25 poor 17 83 20 - 4.9-5.5 HA ARG 27 - H GLU 25 far 0 65 0 - 6.4-7.1 HA ARG 71 - H GLU 25 far 0 95 0 - 8.2-14.7 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 4 assignments used, quality = 1.00: * HB2 GLU 25 + H GLU 25 OK 95 100 100 95 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...(16) HB3 GLU 19 - H GLU 25 far 0 92 0 - 5.8-13.7 HB VAL 76 - H GLU 25 far 0 98 0 - 8.2-22.1 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 4 assignments used, quality = 1.00: HB2 GLU 25 + H GLU 25 OK 95 100 100 95 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...(16) HB3 GLU 19 - H GLU 25 far 0 90 0 - 5.8-13.7 HB VAL 76 - H GLU 25 far 0 97 0 - 8.2-22.1 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 2.2-4.2 1.8/524=71, 1332/2.9=66...(13) HG2 GLU 19 - H GLU 25 far 0 63 0 - 7.2-14.6 HG3 GLU 19 - H GLU 25 far 0 63 0 - 7.3-15.2 Violated in 2 structures by 0.02 A. Peak 524 from nnoeabs.peaks (2.30, 8.20, 121.35 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 25 + H GLU 25 OK 100 100 100 100 3.2-4.4 1.8/523=80, 1333/2.9=66...(11) HG3 GLN 79 - H GLU 25 far 0 71 0 - 8.1-28.0 HG2 GLN 79 - H GLU 25 far 0 71 0 - 8.3-28.3 Violated in 1 structures by 0.01 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): 3 out of 3 assignments used, quality = 1.00: * HA ARG 26 + H ARG 26 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 25 + H ARG 26 OK 81 83 100 98 3.5-3.6 3.6=80, 2.9/904=43...(16) HA ARG 71 + H ASN 74 OK 25 56 75 60 3.3-7.2 16010/4.0=23...(6) 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 12 assignments used, quality = 1.00: * HB2 ARG 26 + H ARG 26 OK 94 100 100 94 2.2-3.6 3.9=48, 3.0/530=34...(23) HB3 ARG 26 + H ARG 26 OK 93 100 100 93 2.6-3.6 3.9=48, 3.0/530=34...(21) HB2 ARG 27 - H ARG 26 far 3 65 5 - 4.4-6.4 HB3 ARG 71 - H ASN 74 far 2 33 5 - 4.6-9.0 HB2 ARG 71 - H ASN 74 far 0 31 0 - 5.0-8.9 HB3 ARG 27 - H ARG 26 far 0 68 0 - 5.3-6.4 HB ILE 68 - H ASN 74 far 0 46 0 - 7.5-11.9 HB3 ARG 71 - H ARG 26 far 0 68 0 - 8.3-14.9 HB3 PRO 14 - H ARG 26 far 0 99 0 - 8.5-26.4 HB2 ARG 66 - H ASN 74 far 0 57 0 - 9.0-13.4 HB ILE 68 - H ARG 26 far 0 89 0 - 9.2-12.1 HB2 ARG 71 - H ARG 26 far 0 65 0 - 9.5-14.1 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 14 assignments used, quality = 1.00: HB2 ARG 26 + H ARG 26 OK 94 100 100 94 2.2-3.6 3.9=48, 3.0/530=34...(23) * HB3 ARG 26 + H ARG 26 OK 93 100 100 93 2.6-3.6 3.9=48, 3.0/530=34...(21) HB2 ARG 27 - H ARG 26 far 3 63 5 - 4.4-6.4 HB3 ARG 71 - H ASN 74 far 2 31 5 - 4.6-9.0 HB2 ARG 71 - H ASN 74 far 0 30 0 - 5.0-8.9 HB3 ARG 27 - H ARG 26 far 0 65 0 - 5.3-6.4 HB2 GLU 19 - H ARG 26 far 0 60 0 - 7.0-14.0 HB ILE 68 - H ASN 74 far 0 47 0 - 7.5-11.9 HB3 ARG 71 - H ARG 26 far 0 65 0 - 8.3-14.9 HB3 PRO 14 - H ARG 26 far 0 99 0 - 8.5-26.4 HB2 ARG 66 - H ASN 74 far 0 57 0 - 9.0-13.4 HB2 GLU 19 - H ASN 74 far 0 28 0 - 9.1-26.5 HB ILE 68 - H ARG 26 far 0 90 0 - 9.2-12.1 HB2 ARG 71 - H ARG 26 far 0 63 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (1.62, 8.13, 119.29 ppm; 3.87 A): 3 out of 14 assignments used, quality = 1.00: * HG2 ARG 26 + H ARG 26 OK 99 100 100 99 2.1-3.9 1.8/530=67, 4.9=49...(23) HD3 LYS 73 + H ASN 74 OK 26 53 75 67 3.0-7.1 3019/3.6=24, 3010/4.3=24...(7) HG2 ARG 27 + H ARG 26 OK 24 97 35 71 3.9-7.4 5.0/5380=39, 3.8/5345=28...(7) HG3 ARG 27 - H ARG 26 poor 19 97 20 - 4.0-7.3 HD2 LYS 73 - H ASN 74 poor 16 53 45 66 2.1-6.4 3019/3.6=24, 3010/4.3=24...(7) HG3 ARG 70 - H ASN 74 far 8 55 15 - 4.7-9.2 HG2 ARG 71 - H ASN 74 far 0 58 0 - 5.4-9.4 HG LEU 86 - H ARG 26 far 0 76 0 - 5.8-47.8 HB2 LEU 86 - H ARG 26 far 0 99 0 - 7.1-45.7 HG3 ARG 84 - H ARG 26 far 0 63 0 - 7.9-40.2 HG2 ARG 84 - H ARG 26 far 0 63 0 - 8.2-39.6 HG3 ARG 17 - H ARG 26 far 0 100 0 - 8.5-20.2 HG2 ARG 71 - H ARG 26 far 0 100 0 - 9.4-16.3 HG2 ARG 17 - H ARG 26 far 0 100 0 - 9.7-20.5 Violated in 0 structures by 0.00 A. Peak 530 from nnoeabs.peaks (1.75, 8.13, 119.29 ppm; 3.52 A): 2 out of 11 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=38...(21) HB3 LYS 73 + H ASN 74 OK 23 28 100 83 2.1-4.3 4.3=55, 4.0/944=27...(10) HG3 ARG 71 - H ASN 74 far 0 58 0 - 5.8-9.9 HB2 ARG 84 - H ARG 26 far 0 78 0 - 5.8-40.1 HB ILE 33 - H ARG 26 far 0 83 0 - 8.9-10.2 HG3 ARG 71 - H ARG 26 far 0 100 0 - 8.9-15.8 HB3 ARG 17 - H ASN 74 far 0 57 0 - 9.0-29.9 HB3 ARG 17 - H ARG 26 far 0 100 0 - 9.2-18.0 HB3 LYS 85 - H ARG 26 far 0 68 0 - 9.3-40.9 HB3 ARG 82 - H ARG 26 far 0 89 0 - 9.4-37.2 HB2 LEU 43 - H ASN 74 far 0 36 0 - 9.9-14.2 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 15 assignments used, quality = 1.00: HD2 ARG 26 + H ARG 26 OK 100 100 100 100 3.7-5.2 3.0/1390=76, 3.0/529=49...(21) * HD3 ARG 26 + H ARG 26 OK 100 100 100 100 4.1-5.1 3.0/1390=76, 3.0/529=49...(22) HD2 ARG 27 - H ARG 26 far 15 99 15 - 6.2-8.4 HD3 ARG 71 - H ASN 74 poor 10 34 30 - 5.2-11.4 HD3 ARG 27 - H ARG 26 far 10 99 10 - 5.8-8.5 HD3 ARG 23 - H ARG 26 far 5 97 5 - 5.7-8.8 HD2 ARG 23 - H ARG 26 far 5 97 5 - 6.2-8.7 HD3 ARG 84 - H ARG 26 far 3 68 5 - 5.9-41.5 HD3 ARG 70 - H ASN 74 far 0 28 0 - 6.5-10.9 HD3 ARG 71 - H ARG 26 far 0 71 0 - 7.4-17.6 HD2 ARG 84 - H ARG 26 far 0 63 0 - 7.5-41.9 HD3 ARG 17 - H ARG 26 far 0 92 0 - 9.2-20.1 HD3 ARG 17 - H ASN 74 far 0 48 0 - 9.2-31.9 HD2 ARG 17 - H ARG 26 far 0 92 0 - 9.3-20.1 HD3 ARG 23 - H ASN 74 far 0 54 0 - 9.5-20.1 Violated in 0 structures by 0.00 A. Peak 533 from nnoeabs.peaks (8.18, 8.18, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 27 + H ARG 27 OK 100 100 - 100 Peak 534 from nnoeabs.peaks (4.12, 8.18, 120.59 ppm; 3.36 A): 3 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 49 65 100 76 3.7-4.6 3.6/5380=47, 1414=20...(9) HA ARG 23 + H ARG 27 OK 21 97 65 33 3.7-5.9 5341/5380=15, 1414=8...(8) HA ALA 30 - H ARG 27 far 0 83 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 535 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 4 out of 9 assignments used, quality = 1.00: * HB2 ARG 27 + H ARG 27 OK 88 100 100 88 2.1-3.6 4.1=41, 1.8/1422=16...(21) HB3 ARG 27 + H ARG 27 OK 88 100 100 88 2.6-3.6 4.1=41, 1.8/1422=16...(20) HB2 ARG 26 + H ARG 27 OK 54 65 100 83 2.5-3.8 3.9/5380=34, 4.6=28...(17) HB3 ARG 26 + H ARG 27 OK 52 63 100 82 3.1-4.1 3.9/5380=34, 4.6=28...(16) HB3 ARG 23 - H ARG 27 far 0 100 0 - 4.7-7.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 5.6-7.7 HB3 ARG 71 - H ARG 27 far 0 100 0 - 7.4-13.3 HB2 ARG 71 - H ARG 27 far 0 100 0 - 8.2-12.3 HB2 LYS 75 - H ARG 27 far 0 97 0 - 8.3-23.1 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 4 out of 9 assignments used, quality = 1.00: HB2 ARG 27 + H ARG 27 OK 88 100 100 88 2.1-3.6 4.1=41, 1.8/1422=16...(21) * HB3 ARG 27 + H ARG 27 OK 88 100 100 88 2.6-3.6 4.1=41, 1.8/1422=16...(20) HB2 ARG 26 + H ARG 27 OK 56 68 100 83 2.5-3.8 3.9/5380=34, 4.6=28...(17) HB3 ARG 26 + H ARG 27 OK 54 65 100 83 3.1-4.1 3.9/5380=34, 4.6=28...(16) HB3 ARG 23 - H ARG 27 far 0 99 0 - 4.7-7.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 5.6-7.7 HB3 ARG 71 - H ARG 27 far 0 100 0 - 7.4-13.3 HB2 ARG 71 - H ARG 27 far 0 100 0 - 8.2-12.3 HB2 LYS 75 - H ARG 27 far 0 97 0 - 8.3-23.1 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 98 100 100 98 2.0-4.6 5.0=47, 1419/3.0=31...(27) HG3 ARG 27 + H ARG 27 OK 98 100 100 98 2.0-4.5 5.0=47, 1419/3.0=31...(27) HG2 ARG 26 + H ARG 27 OK 92 97 100 94 1.9-5.3 1.8/65=53, 4.9/5380=40...(20) HB2 LEU 86 - H ARG 27 far 0 89 0 - 7.6-46.6 HG2 ARG 71 - H ARG 27 far 0 96 0 - 8.3-14.4 Violated in 3 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 98 100 100 98 2.0-4.6 5.0=47, 1419/3.0=31...(27) * HG3 ARG 27 + H ARG 27 OK 98 100 100 98 2.0-4.5 5.0=47, 1419/3.0=31...(27) HG2 ARG 26 + H ARG 27 OK 91 97 100 94 1.9-5.3 1.8/65=53, 4.9/5380=40...(20) HB2 LEU 86 - H ARG 27 far 0 87 0 - 7.6-46.6 HG2 ARG 71 - H ARG 27 far 0 95 0 - 8.3-14.4 Violated in 3 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 11 assignments used, quality = 1.00: * HA ALA 28 + H ALA 28 OK 100 100 100 100 2.8-2.9 3.0=100 HA3 GLY 21 - H ALA 28 far 0 99 0 - 6.4-12.0 HA THR 37 - H ALA 28 far 0 78 0 - 6.6-8.5 HA LYS 32 - H ALA 28 far 0 85 0 - 6.7-8.7 HA3 GLY 18 - H ALA 28 far 0 60 0 - 7.5-17.1 HA2 GLY 21 - H ALA 28 far 0 99 0 - 7.7-11.8 HA GLN 61 - H ALA 28 far 0 99 0 - 7.7-9.7 HA2 GLY 18 - H ALA 28 far 0 57 0 - 8.8-17.5 HA2 GLY 72 - H ALA 28 far 0 100 0 - 8.8-11.9 HA2 GLY 21 - H ARG 84 far 0 84 0 - 9.0-39.3 HA3 GLY 21 - H ARG 84 far 0 83 0 - 9.4-38.7 Violated in 0 structures by 0.00 A. Peak 543 from nnoeabs.peaks (1.34, 8.21, 122.47 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 28 + H ALA 28 OK 100 100 100 100 2.1-2.3 2.9=100 QB ALA 16 - H ALA 28 far 0 81 0 - 5.0-17.4 QB ALA 12 - H ALA 28 far 0 99 0 - 7.8-26.6 HG3 LYS 32 - H ALA 28 far 0 97 0 - 9.2-10.4 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 4 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 - 5.0-5.4 HB THR 15 - H LEU 29 far 0 99 0 - 5.7-21.3 HA ILE 89 - H LEU 29 far 0 98 0 - 6.6-52.8 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 4 assignments used, quality = 0.98: * HB2 LEU 29 + H LEU 29 OK 98 100 100 98 2.2-3.5 1483=62, 1.8/547=55...(14) HB3 ARG 17 - H LEU 29 far 0 65 0 - 6.5-21.4 HB3 LEU 64 - H LEU 29 far 0 85 0 - 7.4-9.6 HB2 ARG 84 - H LEU 29 far 0 97 0 - 9.1-41.5 Violated in 7 structures by 0.14 A. Peak 547 from nnoeabs.peaks (1.58, 7.95, 119.22 ppm; 3.29 A): 1 out of 3 assignments 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) HG LEU 86 - H LEU 29 far 0 87 0 - 5.1-48.5 HB3 LEU 86 - H LEU 29 far 0 89 0 - 5.6-46.7 Violated in 16 structures by 0.23 A. Peak 548 from nnoeabs.peaks (1.67, 7.95, 119.22 ppm; 2.99 A): 1 out of 7 assignments used, quality = 0.99: * HG LEU 29 + H LEU 29 OK 99 100 100 99 1.8-3.1 1497=52, 1499/1483=48...(12) HD2 LYS 13 - H LEU 29 far 0 98 0 - 5.4-25.2 HD3 LYS 13 - H LEU 29 far 0 98 0 - 5.5-25.6 HB3 LYS 13 - H LEU 29 far 0 99 0 - 6.2-25.6 HG2 ARG 23 - H LEU 29 far 0 100 0 - 6.9-11.8 HB3 LEU 64 - H LEU 29 far 0 76 0 - 7.4-9.6 HB3 GLN 61 - H LEU 29 far 0 92 0 - 9.1-11.3 Violated in 1 structures by 0.00 A. Peak 549 from nnoeabs.peaks (0.88, 7.95, 119.22 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + H LEU 29 OK 100 100 100 100 3.5-4.0 2.1/548=89, 1506/546=76...(13) QD1 LEU 86 - H LEU 29 far 5 99 5 - 2.2-41.1 QG1 VAL 90 - H LEU 29 far 0 83 0 - 6.7-46.5 QG2 VAL 90 - H LEU 29 far 0 85 0 - 9.3-48.0 Violated in 8 structures by 0.03 A. Peak 550 from nnoeabs.peaks (0.84, 7.95, 119.22 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 2.1-4.2 2.1/548=90, 3.1/546=75...(20) QD2 LEU 64 + H LEU 29 OK 72 100 75 96 4.4-5.8 5162/78=57, 5015/76=37...(16) QD2 LEU 86 - H LEU 29 far 5 96 5 - 3.4-40.5 QG2 ILE 89 - H LEU 29 far 0 100 0 - 5.6-46.3 Violated in 1 structures by 0.01 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 5 assignments used, quality = 1.00: * HA ALA 30 + H ALA 30 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 29 + H ALA 30 OK 70 71 100 99 3.5-3.6 3.6=67, 3.0/908=60...(15) HA ARG 27 + H ALA 30 OK 70 83 100 84 3.3-4.2 4807/553=38, 3.6/5538=23...(14) HA ARG 23 - H ALA 30 far 0 98 0 - 7.6-10.2 HB THR 88 - H ALA 30 far 0 90 0 - 9.2-53.3 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 5 assignments used, quality = 0.99: * QB ALA 30 + H ALA 30 OK 99 100 100 99 2.0-2.3 2.9=99 HG3 LYS 13 - H ALA 30 far 0 97 0 - 4.7-26.1 HG12 ILE 33 - H ALA 30 far 0 100 0 - 5.2-8.1 HG2 LYS 13 - H ALA 30 far 0 78 0 - 5.7-26.2 HG13 ILE 89 - H ALA 30 far 0 99 0 - 8.2-55.7 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 2.8-2.9 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 2.2-3.6 1530=69, 1.8/557=58...(17) HB2 GLU 19 - H MET 31 far 0 68 0 - 8.0-19.7 HG13 ILE 68 - H MET 31 far 0 96 0 - 8.2-10.8 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 2.4-3.7 1.8/556=86, 4.0=86...(16) HB2 GLU 25 - H MET 31 far 0 89 0 - 8.3-10.3 HB3 GLU 25 - H MET 31 far 0 90 0 - 8.5-9.8 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 2.5-4.0 1542=100, 1.8/559=79...(19) HG2 GLN 61 - H MET 31 far 4 73 5 - 5.2-9.1 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 2.0-4.2 1548=91, 1.8/1542=74...(18) HB2 GLN 61 - H MET 31 far 0 100 0 - 6.9-9.9 Violated in 1 structures by 0.01 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): 2 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 OK 22 85 35 75 3.9-5.4 4182/89=18, 3761=17...(16) HA GLN 61 - H LYS 32 far 0 96 0 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 562 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.54 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 32 + H LYS 32 OK 98 100 100 98 3.3-4.0 4.0=71, 2.9/564=49...(16) HB3 LYS 32 + H LYS 32 OK 98 100 100 98 3.0-4.1 4.0=71, 2.9/564=49...(16) HB ILE 33 + H LYS 32 OK 35 100 50 71 4.8-5.7 1651/4.6=34, 3.0/5541=18...(11) HB2 LYS 13 - H LYS 32 far 9 90 10 - 4.1-27.5 HB3 ARG 17 - H LYS 32 far 0 57 0 - 7.2-25.2 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.4-10.4 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.4-9.4 HG3 ARG 26 - H LYS 32 far 0 71 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.54 A): 3 out of 8 assignments used, quality = 1.00: HB2 LYS 32 + H LYS 32 OK 98 100 100 98 3.3-4.0 4.0=71, 2.9/564=49...(16) * HB3 LYS 32 + H LYS 32 OK 98 100 100 98 3.0-4.1 4.0=71, 2.9/564=49...(16) HB ILE 33 + H LYS 32 OK 35 100 50 71 4.8-5.7 1651/4.6=34, 3.0/5541=18...(11) HB2 LYS 13 - H LYS 32 far 9 90 10 - 4.1-27.5 HB3 ARG 17 - H LYS 32 far 0 57 0 - 7.2-25.2 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.4-10.4 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.4-9.4 HG3 ARG 26 - H LYS 32 far 0 71 0 - 9.1-11.2 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, 1.8/1594=67...(16) QG2 THR 58 - H LYS 32 far 0 60 0 - 7.2-10.9 Violated in 2 structures by 0.00 A. Peak 565 from nnoeabs.peaks (1.33, 7.94, 118.73 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 32 + H LYS 32 OK 99 100 100 99 3.3-3.9 1.8/564=67, 1594=66...(16) QB ALA 28 + H LYS 32 OK 33 97 40 86 4.5-5.6 5303/4.6=33, 2.1/3761=27...(12) QB ALA 12 - H LYS 32 far 0 100 0 - 6.9-23.5 QG2 THR 58 - H LYS 32 far 0 90 0 - 7.2-10.9 Violated in 13 structures by 0.03 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 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: * HB ILE 33 + H ILE 33 OK 98 100 100 98 2.4-2.7 1651=70, 3.0/574=43...(15) HB2 LYS 32 + H ILE 33 OK 83 100 95 88 3.8-4.6 3.0/3776=49, 4.3=38...(11) HB3 LYS 32 + H ILE 33 OK 78 100 90 87 3.9-4.7 3.0/3776=49, 4.3=38...(9) HB2 LYS 13 - H ILE 33 far 0 81 0 - 6.5-26.8 HG2 PRO 34 - H ILE 33 far 0 98 0 - 6.6-7.0 HB2 PRO 34 - H ILE 33 far 0 97 0 - 6.6-7.6 HB3 ARG 17 - H ILE 33 far 0 71 0 - 7.7-24.3 HB2 LEU 57 - H ILE 33 far 0 100 0 - 9.1-10.9 HB3 LYS 39 - H ILE 33 far 0 93 0 - 9.9-13.8 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 3.7-3.8 4.1=92, 2.1/1651=81...(12) 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 6 assignments used, quality = 1.00: * HG12 ILE 33 + H ILE 33 OK 100 100 100 100 1.9-3.7 1665=76, 1.8/575=66...(14) QB ALA 30 - H ILE 33 far 0 100 0 - 5.7-7.1 HG2 LYS 13 - H ILE 33 far 0 81 0 - 6.9-25.1 HG13 ILE 89 - H ILE 33 far 0 100 0 - 7.1-52.9 HG3 LYS 13 - H ILE 33 far 0 96 0 - 7.1-26.8 HB3 LEU 57 - H ILE 33 far 0 73 0 - 7.4-9.8 Violated in 2 structures by 0.01 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 1.9-3.9 1672=86, 1.8/574=80...(12) QG2 THR 15 - H ILE 33 far 6 63 10 - 3.7-20.3 QG2 VAL 65 - H ILE 33 far 5 99 5 - 5.0-6.9 QG1 VAL 65 - H ILE 33 far 0 95 0 - 7.1-9.3 HG13 ILE 40 - H ILE 33 far 0 96 0 - 8.9-10.6 Violated in 2 structures by 0.01 A. Peak 576 from nnoeabs.peaks (0.71, 7.91, 120.59 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + H ILE 33 OK 100 100 100 100 1.8-3.5 1679=100, 2.1/574=83...(14) QD2 LEU 57 + H ILE 33 OK 28 100 30 94 5.0-6.9 4606/3.0=50, 4612/573=44...(10) 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 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 579 from nnoeabs.peaks (2.85, 6.31, 116.43 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 35 + H PHE 35 OK 100 100 100 100 3.6-4.1 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 3.1-3.7 4.0=100 HB3 TYR 55 - H PHE 35 poor 15 63 40 59 5.0-7.8 5716/582=30...(7) Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (6.94, 6.31, 116.43 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * QE PHE 35 + H PHE 35 OK 100 100 100 100 3.8-4.8 2.2/582=92, 4583/4248=76...(19) HZ PHE 35 + H PHE 35 OK 99 100 100 99 4.8-5.9 4534/582=73...(16) HZ PHE 48 - H PHE 35 far 0 100 0 - 8.6-12.5 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 2.4-3.6 4600=83, 4567/4248=44...(21) 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 5 99 5 - 4.1-19.3 HA2 GLY 18 - H THR 37 far 5 99 5 - 3.8-19.4 HA ALA 28 - H THR 37 far 0 78 0 - 6.5-7.9 HA3 GLY 21 - H THR 37 far 0 92 0 - 7.5-13.6 HA2 GLY 72 - H THR 37 far 0 65 0 - 7.9-10.4 HA2 GLY 21 - H THR 37 far 0 90 0 - 8.7-14.4 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 4 assignments used, quality = 1.00: * HB THR 37 + H THR 37 OK 100 100 100 100 2.4-3.6 3.8=100 HA LYS 85 - H THR 37 far 0 99 0 - 6.7-38.4 HA LYS 39 - H THR 37 far 0 65 0 - 6.9-7.3 HA THR 15 - H THR 37 far 0 76 0 - 7.7-22.2 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 3 assignments used, quality = 0.94: * QG2 THR 37 + H THR 37 OK 94 100 100 94 1.9-2.5 1816=84, 4.1/119=42...(5) QG2 THR 15 - H THR 37 far 0 83 0 - 7.0-19.5 HG12 ILE 89 - H THR 37 far 0 60 0 - 7.9-46.6 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 6 assignments used, quality = 1.00: * HA ASP 38 + H ASP 38 OK 100 100 100 100 2.7-2.8 3.0=100 HA LYS 39 - H ASP 38 far 0 60 0 - 5.2-5.5 HA GLU 19 - H ASP 38 far 0 78 0 - 5.4-18.4 HA ARG 17 - H ASP 38 far 0 100 0 - 6.5-20.8 HA ALA 20 - H ASP 38 far 0 87 0 - 7.0-15.1 HA LEU 86 - H ASP 38 far 0 76 0 - 9.6-38.8 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: * HB2 ASP 38 + H ASP 38 OK 85 100 100 85 2.1-3.6 4.0=46, 1822/3.0=25...(11) HB3 ASP 38 + H ASP 38 OK 85 100 100 85 2.3-3.6 4.0=46, 1823/3.0=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: HB2 ASP 38 + H ASP 38 OK 85 100 100 85 2.1-3.6 4.0=46, 1822/3.0=25...(11) * HB3 ASP 38 + H ASP 38 OK 85 100 100 85 2.3-3.6 4.0=46, 1823/3.0=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 8 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.8-2.9 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...(9) HA THR 15 - H LYS 39 far 5 100 5 - 4.9-26.4 HB THR 37 - H LYS 39 far 0 65 0 - 5.4-6.4 HA GLU 19 - H LYS 39 far 0 99 0 - 7.3-20.9 HA ARG 17 - H LYS 39 far 0 63 0 - 7.6-23.2 HA ALA 20 - H LYS 39 far 0 97 0 - 9.0-17.8 HA LYS 85 - H LYS 39 far 0 81 0 - 9.6-36.9 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 2.1-3.7 4.0=66, 1.8/594=64...(16) HB2 ARG 17 - H LYS 39 far 0 92 0 - 7.0-25.0 HB2 LYS 75 - H LYS 39 far 0 96 0 - 9.3-21.0 HB3 PRO 34 - H LYS 39 far 0 85 0 - 9.8-12.7 Violated in 1 structures by 0.01 A. Peak 594 from nnoeabs.peaks (1.78, 7.39, 117.25 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-3.7 4.0=85, 1.8/593=82...(17) HB2 LYS 13 - H LYS 39 far 0 99 0 - 7.4-28.9 HB2 ARG 69 - H LYS 39 far 0 83 0 - 7.9-11.2 HB ILE 33 - H LYS 39 far 0 93 0 - 8.2-9.6 HG2 PRO 34 - H LYS 39 far 0 76 0 - 8.6-12.9 HB2 LYS 85 - H LYS 39 far 0 83 0 - 9.2-37.6 HB2 PRO 34 - H LYS 39 far 0 100 0 - 9.5-12.7 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 2 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.8-4.6 1.8/596=73, 2.9/593=66...(20) HB3 LEU 86 - H LYS 39 far 0 92 0 - 8.6-39.5 Violated in 9 structures by 0.16 A. Peak 596 from nnoeabs.peaks (1.40, 7.39, 117.25 ppm; 3.99 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 2.2-4.5 1.8/595=77, 1837/3.0=70...(19) QB ALA 20 - H LYS 39 far 0 65 0 - 6.4-14.6 HB3 ARG 69 - H LYS 39 far 0 97 0 - 8.0-11.6 HG2 LYS 13 - H LYS 39 far 0 85 0 - 8.2-31.3 HG3 ARG 69 - H LYS 39 far 0 63 0 - 8.8-12.3 QB ALA 78 - H LYS 39 far 0 89 0 - 9.7-21.4 HG3 LYS 73 - H LYS 39 far 0 89 0 - 9.9-13.2 Violated in 8 structures by 0.05 A. Peak 597 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 39 + H LYS 39 OK 100 100 100 100 2.3-5.3 3.0/596=58, 3.5/593=57...(23) * HD2 LYS 39 + H LYS 39 OK 95 100 95 100 1.9-5.5 3.0/596=58, 3.5/593=57...(23) HB3 LEU 51 - H LYS 39 far 0 90 0 - 7.8-10.7 HG LEU 86 - H LYS 39 far 0 92 0 - 8.2-39.9 HB3 LEU 86 - H LYS 39 far 0 83 0 - 8.6-39.5 HD2 LYS 73 - H LYS 39 far 0 65 0 - 9.2-14.6 HD3 LYS 73 - H LYS 39 far 0 65 0 - 9.8-15.0 Violated in 13 structures by 0.14 A. Peak 598 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 2.3-5.3 3.0/596=58, 3.5/593=57...(23) HD2 LYS 39 + H LYS 39 OK 95 100 95 100 1.9-5.5 3.0/596=58, 3.5/593=57...(23) HB3 LEU 51 - H LYS 39 far 0 89 0 - 7.8-10.7 HG LEU 86 - H LYS 39 far 0 90 0 - 8.2-39.9 HB3 LEU 86 - H LYS 39 far 0 85 0 - 8.6-39.5 HD2 LYS 73 - H LYS 39 far 0 63 0 - 9.2-14.6 HD3 LYS 73 - H LYS 39 far 0 63 0 - 9.8-15.0 Violated in 13 structures by 0.14 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 2.7-2.9 3.0=100 HA ARG 69 - H ILE 40 far 0 100 0 - 5.7-7.6 HA VAL 65 - H ILE 40 far 0 100 0 - 7.0-8.4 HD3 PRO 14 - H ILE 40 far 0 90 0 - 9.0-29.7 Violated in 0 structures by 0.00 A. Peak 603 from nnoeabs.peaks (2.12, 7.24, 115.36 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HB ILE 40 + H ILE 40 OK 100 100 100 100 2.4-2.7 1929=64, 2.9/605=55...(22) HB2 PRO 36 + H ILE 40 OK 26 100 35 73 4.5-5.6 4877/4.4=26, 4867/914=23...(10) HG3 PRO 36 - H ILE 40 far 0 63 0 - 4.9-6.9 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 8 assignments used, quality = 1.00: * QG2 ILE 40 + H ILE 40 OK 100 100 100 100 3.7-3.8 1936=75, 2.1/1929=61...(24) QG2 VAL 41 + H ILE 40 OK 98 100 100 98 3.7-4.6 4.0/915=43, 4330=43...(16) QD2 LEU 43 - H ILE 40 far 0 92 0 - 5.9-6.9 QG2 VAL 76 - H ILE 40 far 0 98 0 - 6.3-16.7 HG12 ILE 68 - H ILE 40 far 0 98 0 - 6.3-9.4 QG1 VAL 76 - H ILE 40 far 0 98 0 - 6.5-14.4 QD1 LEU 64 - H ILE 40 far 0 71 0 - 7.5-10.3 QD2 LEU 62 - H ILE 40 far 0 100 0 - 9.7-12.6 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 1.9-2.5 1.8/606=57, 1943=51...(17) HB VAL 41 - H ILE 40 far 0 71 0 - 4.7-5.4 HB ILE 68 - H ILE 40 far 0 99 0 - 5.5-7.3 HG13 ILE 68 - H ILE 40 far 0 85 0 - 6.6-9.6 HB3 PRO 14 - H ILE 40 far 0 87 0 - 7.3-28.3 HB2 GLU 19 - H ILE 40 far 0 100 0 - 9.0-22.8 Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (1.23, 7.24, 115.36 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + H ILE 40 OK 100 100 100 100 3.0-3.8 1.8/605=84, 2.1/607=65...(16) QG2 VAL 65 - H ILE 40 far 8 85 10 - 5.0-8.0 QG1 VAL 65 - H ILE 40 far 5 100 5 - 5.1-8.4 HG2 ARG 69 - H ILE 40 far 0 98 0 - 5.7-8.7 HG13 ILE 33 - H ILE 40 far 0 96 0 - 8.1-10.6 Violated in 5 structures by 0.02 A. Peak 607 from nnoeabs.peaks (1.03, 7.24, 115.36 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + H ILE 40 OK 100 100 100 100 3.3-3.8 2.1/605=82, 2.1/606=72...(17) HG3 PRO 34 - H ILE 40 far 0 95 0 - 8.3-10.4 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 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 610 from nnoeabs.peaks (1.93, 7.63, 114.41 ppm; 3.09 A): 2 out of 6 assignments used, quality = 0.97: * HB VAL 41 + H VAL 41 OK 91 100 100 91 2.5-2.8 3.9=51, 146/916=37...(12) HG12 ILE 40 + H VAL 41 OK 65 71 100 92 3.9-4.4 2.9/139=42, 3.2/3816=29...(12) HG13 ILE 68 - H VAL 41 far 0 99 0 - 6.9-9.5 HB2 GLU 19 - H VAL 41 far 0 83 0 - 8.8-23.5 HB3 ARG 70 - H VAL 41 far 0 71 0 - 9.1-11.9 HB2 ARG 70 - H VAL 41 far 0 71 0 - 9.9-11.6 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 98 100 100 98 3.7-3.8 4.0=67, 2.1/610=45...(14) QG2 ILE 68 + H VAL 41 OK 84 95 100 89 3.0-4.9 4753/139=31, 5249/143=30...(15) QD1 ILE 68 - H VAL 41 far 0 92 0 - 5.5-7.4 Violated in 7 structures by 0.03 A. Peak 612 from nnoeabs.peaks (0.94, 7.63, 114.41 ppm; 3.03 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 40 + H VAL 41 OK 96 100 100 97 2.9-3.9 2.1/139=48, 5210/3.0=35...(18) * QG2 VAL 41 + H VAL 41 OK 95 100 100 95 1.9-2.4 4.0=42, 2.1/610=35...(19) QG2 VAL 76 - H VAL 41 far 0 93 0 - 4.9-15.5 QG1 VAL 76 - H VAL 41 far 0 93 0 - 5.2-13.2 QD2 LEU 43 - H VAL 41 far 0 97 0 - 6.0-7.2 HG12 ILE 68 - H VAL 41 far 0 93 0 - 6.3-9.0 QD1 LEU 64 - H VAL 41 far 0 83 0 - 8.1-10.4 QD2 LEU 62 - H VAL 41 far 0 100 0 - 10.0-13.2 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: HB3 ASN 42 + H ASN 42 OK 93 100 100 93 2.3-2.4 4.1=50, 3.5/5089=32...(12) * HB2 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 616 from nnoeabs.peaks (2.76, 7.72, 113.33 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 42 + H ASN 42 OK 93 100 100 93 2.3-2.4 4.1=50, 3.5/5089=32...(12) HB2 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 1.9-3.9 5088=100, 1.7/5089=93...(11) QE PHE 35 - H ASN 42 far 0 99 0 - 7.9-9.1 HZ PHE 48 - H ASN 42 far 0 97 0 - 9.0-10.5 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 - 9.2-33.8 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 2.2-2.6 1.8/622=63, 2009=61...(14) 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 2 assignments 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...(13) HG2 LYS 13 - H LEU 43 far 0 93 0 - 9.7-35.4 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 2.1-3.5 2.1/624=57, 2023=55...(11) HG2 PRO 14 - H LEU 43 far 0 100 0 - 5.8-31.3 HG3 PRO 14 - H LEU 43 far 0 100 0 - 5.9-32.9 HB3 GLN 79 - H LEU 43 far 0 99 0 - 8.3-29.6 HB2 GLN 79 - H LEU 43 far 0 78 0 - 8.9-29.0 Violated in 4 structures by 0.01 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 3.4-3.9 2.1/623=76, 3.1/621=61...(15) QG2 ILE 68 - H LEU 43 far 0 81 0 - 6.0-8.8 Violated in 16 structures by 0.08 A. Peak 625 from nnoeabs.peaks (0.94, 7.52, 120.92 ppm; 3.68 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 2.6-4.4 2.1/623=75, 2037=74...(14) QG2 VAL 41 + H LEU 43 OK 36 97 45 81 4.9-6.0 4.1/149=45, 4.0/5631=37...(5) QG2 ILE 40 + H LEU 43 OK 28 92 35 88 4.3-6.2 3.2/4372=44, 4.4/5631=34...(11) QG1 VAL 76 - H LEU 43 far 0 73 0 - 7.0-16.1 QG2 VAL 76 - H LEU 43 far 0 73 0 - 7.1-18.2 HG12 ILE 68 - H LEU 43 far 0 73 0 - 9.4-13.3 Violated in 6 structures by 0.01 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 2.7-2.8 3.0=100 HD3 PRO 44 - H VAL 45 far 0 76 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 628 from nnoeabs.peaks (2.06, 8.62, 122.56 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 45 + H VAL 45 OK 98 100 100 98 2.1-2.2 2098=78, 2.1/630=57...(6) HG2 PRO 44 + H VAL 45 OK 72 87 100 83 4.1-4.6 2.3/156=43, 3.8/155=39...(10) HB3 PRO 44 + H VAL 45 OK 68 71 100 96 2.2-2.8 2.3/155=62, 4.2=49...(11) HB VAL 76 - H VAL 45 far 0 81 0 - 6.8-17.7 HB2 GLU 50 - H VAL 45 far 0 71 0 - 8.3-10.9 HB3 GLU 50 - H VAL 45 far 0 71 0 - 9.2-11.4 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 3.4-3.5 4.0=75, 2.1/630=69...(12) Violated in 0 structures by 0.00 A. Peak 630 from nnoeabs.peaks (0.99, 8.62, 122.56 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 45 + H VAL 45 OK 100 100 100 100 2.9-3.2 4.0=72, 2.1/2098=67...(13) Violated in 0 structures by 0.00 A. Peak 631 from nnoeabs.peaks (8.77, 8.77, 119.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + H ASP 46 OK 100 100 - 100 Peak 632 from nnoeabs.peaks (4.49, 8.77, 119.44 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + H ASP 46 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 633 from nnoeabs.peaks (2.70, 8.77, 119.44 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.97: * HB2 ASP 46 + H ASP 46 OK 97 100 100 97 2.1-3.4 1.8/634=78, 4.0=64...(7) HB3 ASN 49 - H ASP 46 far 0 81 0 - 6.5-7.3 Violated in 1 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 = 0.93: * HB3 ASP 46 + H ASP 46 OK 93 100 100 93 2.1-3.2 1.8/633=63, 4.0=51...(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 1 assignment used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 100 100 2.8-2.9 3.0=100 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 2.1-3.4 1.8/638=74, 4.1=54...(15) HB3 ASN 49 - H ASP 47 far 0 96 0 - 6.5-7.8 Violated in 5 structures by 0.02 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 2.1-3.2 1.8/637=66, 4.1=48...(14) Violated in 1 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 2.7-2.9 3.0=100 HD2 PRO 44 + H PHE 48 OK 71 99 75 96 3.5-5.6 4401/4460=34...(14) 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 4.0=61, 1.8/2149=60...(15) Violated in 0 structures by 0.00 A. Peak 642 from nnoeabs.peaks (2.88, 8.77, 123.38 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 48 + H PHE 48 OK 99 100 100 99 2.3-2.8 1.8/641=71, 2149=69...(15) HB2 ASN 49 + H PHE 48 OK 56 92 80 76 4.5-5.0 2167/4.6=27, 4.2/4452=26...(8) HB2 PHE 35 - H PHE 48 far 0 57 0 - 9.8-11.1 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 2 assignments used, quality = 1.00: * QD PHE 48 + H PHE 48 OK 100 100 100 100 4.1-4.2 4.4=82, 2.5/641=82...(15) QD TYR 81 - H PHE 48 far 0 99 0 - 8.2-25.4 Violated in 14 structures by 0.01 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 2.7-2.8 3.0=100 HA ALA 53 - H ASN 49 far 0 71 0 - 9.1-9.6 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...(13) HB3 PHE 48 + H ASN 49 OK 85 90 100 94 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 - 5.0-6.5 HB2 ASP 46 - H ASN 49 far 0 81 0 - 5.6-6.4 HB2 ASN 80 - H ASN 49 far 0 71 0 - 9.4-28.1 Violated in 13 structures by 0.03 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 3.6-4.7 1.7/650=90, 435=84...(7) HE22 GLN 79 - H ASN 49 far 0 100 0 - 8.9-29.6 Violated in 2 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 1.9-4.2 3.5/648=66, 1.7/649=64...(8) Violated in 1 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 - 9.8-12.0 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 90 100 100 90 2.2-3.4 3.9=38, 3.0/656=32...(13) HB3 GLU 50 + H GLU 50 OK 88 100 100 88 2.1-3.6 3.9=38, 3.0/656=32...(11) HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.4-7.1 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.7-12.2 HB VAL 45 - H GLU 50 far 0 71 0 - 7.8-8.7 HD3 ARG 69 - H GLU 50 far 0 97 0 - 7.9-12.1 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 90 100 100 90 2.2-3.4 3.9=38, 3.0/656=32...(13) * HB3 GLU 50 + H GLU 50 OK 88 100 100 88 2.1-3.6 3.9=38, 3.0/656=32...(11) HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.4-7.1 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.7-12.2 HB VAL 45 - H GLU 50 far 0 71 0 - 7.8-8.7 HD3 ARG 69 - H GLU 50 far 0 97 0 - 7.9-12.1 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 1 assignment used, quality = 1.00: * HG2 GLU 50 + H GLU 50 OK 100 100 100 100 3.6-4.1 2197=89, 1.8/656=77...(7) Violated in 3 structures by 0.01 A. Peak 656 from nnoeabs.peaks (2.21, 7.73, 120.91 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLU 50 + H GLU 50 OK 99 100 100 99 2.4-3.1 2203=80, 1.8/655=72...(6) Violated in 0 structures by 0.00 A. Peak 657 from nnoeabs.peaks (7.53, 7.53, 121.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + H LEU 51 OK 100 100 - 100 Peak 658 from nnoeabs.peaks (3.89, 7.53, 121.73 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 51 + H LEU 51 OK 100 100 100 100 2.8-2.9 3.0=100 HD2 PRO 36 - H LEU 51 far 0 81 0 - 9.9-13.1 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 3 assignments used, quality = 1.00: * HB2 LEU 51 + H LEU 51 OK 99 100 100 99 2.2-3.0 2216=77, 1.8/660=69...(15) HG2 ARG 54 + H LEU 51 OK 65 92 80 88 3.9-6.3 4570/3.0=24, 2323=19...(17) HB2 LEU 52 - H LEU 51 far 0 93 0 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 660 from nnoeabs.peaks (1.60, 7.53, 121.73 ppm; 3.13 A): 1 out of 4 assignments used, quality = 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 8 76 10 - 3.8-6.1 HD3 LYS 39 - H LEU 51 far 0 89 0 - 6.5-10.5 HD2 LYS 39 - H LEU 51 far 0 90 0 - 7.0-10.7 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 3 assignments used, quality = 1.00: * HG LEU 51 + H LEU 51 OK 100 100 100 100 4.2-4.6 3.0/660=78, 3.0/2216=74...(13) QD1 LEU 62 - H LEU 51 far 0 87 0 - 7.4-10.1 QG1 VAL 76 - H LEU 51 far 0 60 0 - 9.5-18.5 Violated in 20 structures by 0.26 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 3.4-4.3 4.5=83, 2245/3.0=83...(17) Violated in 7 structures by 0.01 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...(14) HB2 LEU 51 + H LEU 52 OK 91 93 100 97 2.2-4.2 1.8/196=66, 2216/924=42...(10) HG2 ARG 54 - H LEU 52 far 9 60 15 - 4.7-6.6 Violated in 12 structures by 0.03 A. Peak 667 from nnoeabs.peaks (1.47, 7.43, 115.28 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 52 + H LEU 52 OK 99 100 100 99 2.4-2.8 2265=69, 3.0/668=54...(13) HB3 LEU 57 - H LEU 52 far 0 100 0 - 7.2-9.1 HG12 ILE 33 - H LEU 52 far 0 60 0 - 9.7-13.7 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 3 assignments used, quality = 0.99: * HG LEU 52 + H LEU 52 OK 99 100 100 99 2.0-2.5 2272=63, 2.1/670=50...(13) QG2 VAL 65 - H LEU 52 far 0 89 0 - 5.2-7.3 HG13 ILE 33 - H LEU 52 far 0 73 0 - 9.6-14.1 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 2.9-3.9 2.1/668=83, 2279=82...(13) Violated in 2 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 2.4-3.9 2286=88, 2.1/668=82...(15) Violated in 1 structures by 0.00 A. Peak 671 from nnoeabs.peaks (7.22, 7.22, 117.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + H ALA 53 OK 100 100 - 100 Peak 672 from nnoeabs.peaks (4.16, 7.22, 117.09 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 53 + H ALA 53 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASN 49 - H ALA 53 far 4 71 5 - 4.7-5.2 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 2.1-2.2 2296=80, 209/207=30...(8) 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 - 7.3-8.1 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 2.2-3.0 2307=62, 1.8/2315=53...(19) HB2 LEU 57 - H ARG 54 far 0 100 0 - 5.9-8.6 HG2 PRO 34 - H ARG 54 far 0 99 0 - 6.3-9.2 HB2 PRO 34 - H ARG 54 far 0 93 0 - 6.9-9.8 HB2 LEU 62 - H ARG 54 far 0 85 0 - 9.0-12.1 HB3 LYS 39 - H ARG 54 far 0 89 0 - 9.3-13.8 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 3.5-3.8 1.8/676=73, 2315=67...(16) HG3 ARG 54 + H ARG 54 OK 62 63 100 99 2.3-3.5 3.0/676=53, 3.0/2315=44...(17) HG LEU 62 - H ARG 54 far 0 87 0 - 7.0-9.7 HG2 LYS 39 - H ARG 54 far 0 100 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.31, 7.53, 116.98 ppm; 3.95 A): 3 out of 4 assignments used, quality = 1.00: * HG2 ARG 54 + H ARG 54 OK 100 100 100 100 2.4-3.4 3.0/676=73, 2324/3.0=64...(20) HB2 LEU 52 + H ARG 54 OK 43 60 80 90 5.0-5.7 3.0/4966=50, 4.6/207=46...(9) HB2 LEU 51 + H ARG 54 OK 30 92 35 94 5.1-5.8 3.0/4567=56, 3.1/2244=27...(12) QG2 THR 58 - H ARG 54 far 0 99 0 - 9.5-11.4 Violated in 0 structures by 0.00 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 2.3-3.5 3.0/676=52, 2332/3.0=45...(19) HB3 ARG 54 + H ARG 54 OK 62 63 100 99 3.5-3.8 1.8/676=72, 4.1=50...(16) HB3 LEU 51 - H ARG 54 far 0 76 0 - 5.1-5.9 HG LEU 62 - H ARG 54 far 0 97 0 - 7.0-9.7 HD3 LYS 39 - H ARG 54 far 0 99 0 - 8.7-12.8 HG2 LYS 39 - H ARG 54 far 0 63 0 - 9.3-12.1 HB3 LEU 62 - H ARG 54 far 0 96 0 - 9.6-12.6 HD2 LYS 39 - H ARG 54 far 0 99 0 - 9.7-13.1 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: * HD2 ARG 54 + H ARG 54 OK 100 100 100 100 4.7-5.3 3.6/676=77, 3.6/2315=69...(20) HD3 ARG 54 + H ARG 54 OK 100 100 100 100 4.6-5.2 3.6/676=77, 3.6/2315=69...(20) Violated in 2 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 4.6-5.2 3.6/676=77, 3.6/2315=69...(20) HD2 ARG 54 + H ARG 54 OK 100 100 100 100 4.7-5.3 3.6/676=77, 3.6/2315=69...(20) Violated in 2 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 2.2-2.9 3.8=62, 1.8/685=62...(16) 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 3 assignments used, quality = 1.00: * HB3 TYR 55 + H TYR 55 OK 100 100 100 100 3.5-3.9 3.8=81, 1.8/684=80...(15) HB3 PHE 35 - H TYR 55 far 0 60 0 - 6.8-8.7 HE3 LYS 13 - H TYR 55 far 0 65 0 - 9.2-31.8 Violated in 18 structures by 0.16 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 2.1-3.3 4627=96, 2.5/684=64...(23) Violated in 0 structures by 0.00 A. Peak 688 from nnoeabs.peaks (8.15, 8.15, 124.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H LEU 57 OK 100 100 - 100 Peak 689 from nnoeabs.peaks (4.76, 8.15, 124.80 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + H LEU 57 OK 100 100 100 100 2.7-2.9 3.0=100 HB THR 58 - H LEU 57 far 0 100 0 - 5.9-7.6 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 = 0.99: * HB2 LEU 57 + H LEU 57 OK 99 100 100 99 2.5-3.0 3.8=60, 1.8/691=56...(12) HG2 PRO 34 - H LEU 57 poor 13 99 25 52 3.6-7.6 2451/692=18...(5) HB2 PRO 34 - H LEU 57 far 0 95 0 - 5.7-8.5 HB2 LEU 62 - H LEU 57 far 0 83 0 - 5.8-8.9 HB2 ARG 54 - H LEU 57 far 0 100 0 - 7.1-8.7 HB2 LYS 32 - H LEU 57 far 0 99 0 - 8.1-11.5 HB3 LYS 32 - H LEU 57 far 0 99 0 - 8.9-12.7 HB ILE 33 - H LEU 57 far 0 100 0 - 9.5-11.9 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 4 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.8 3.8=90, 1.8/690=75...(9) HB3 LEU 52 - H LEU 57 far 0 100 0 - 6.3-7.8 HG12 ILE 33 - H LEU 57 far 0 73 0 - 8.4-12.0 QB ALA 63 - H LEU 57 far 0 87 0 - 9.5-10.6 Violated in 15 structures by 0.09 A. Peak 692 from nnoeabs.peaks (1.95, 8.15, 124.80 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.98: * HG LEU 57 + H LEU 57 OK 98 100 100 98 2.1-2.7 2449=49, 2.1/693=47...(10) 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 3.2-3.8 2.1/692=82, 2.1/694=69...(12) QD1 ILE 33 - H LEU 57 far 0 100 0 - 6.3-8.8 Violated in 9 structures by 0.03 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 3.6-3.8 2.1/692=82, 2.1/693=69...(10) Violated in 18 structures by 0.06 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 - 7.1-9.5 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 94 100 100 94 2.1-2.7 3.6=64, 3.0/228=35...(8) * HB THR 58 + H THR 58 OK 88 100 100 88 3.5-3.9 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 2.0-3.1 2478=100, 2473/3.0=52...(10) HB2 LEU 52 - H THR 58 far 0 76 0 - 6.5-8.9 HG3 LYS 32 - H THR 58 far 0 90 0 - 7.4-11.1 HG2 LYS 32 - H THR 58 far 0 60 0 - 7.6-10.8 QB ALA 28 - H THR 58 far 0 68 0 - 9.1-10.6 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 2.7-2.8 2.9=100 HA ALA 63 - H GLU 59 far 0 89 0 - 8.3-9.2 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: HB3 GLU 59 + H GLU 59 OK 93 100 100 93 2.3-3.5 4.0=44, 3.0/703=36...(11) * HB2 GLU 59 + H GLU 59 OK 93 100 100 93 2.1-3.6 4.0=44, 3.0/703=36...(11) HB3 MET 31 - H GLU 59 far 0 81 0 - 8.4-11.5 HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.5-10.6 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: * HB3 GLU 59 + H GLU 59 OK 93 100 100 93 2.3-3.5 4.0=44, 3.0/703=36...(11) HB2 GLU 59 + H GLU 59 OK 93 100 100 93 2.1-3.6 4.0=44, 3.0/703=36...(11) HB3 MET 31 - H GLU 59 far 0 81 0 - 8.4-11.5 HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 703 from nnoeabs.peaks (2.40, 9.11, 120.45 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + H GLU 59 OK 100 100 100 100 2.5-3.9 1.8/704=74, 2500=72...(8) HB VAL 65 - H GLU 59 far 0 97 0 - 8.9-10.4 Violated in 1 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 2.6-4.0 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 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 707 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 HB3 SER 60 + H SER 60 OK 100 100 100 100 2.7-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 708 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 * HB3 SER 60 + H SER 60 OK 100 100 100 100 2.7-3.6 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 - 8.5-10.3 HA LYS 32 - H GLN 61 far 0 96 0 - 9.0-11.3 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 2.2-3.6 4.0=71, 1.8/712=62...(14) HG3 MET 31 - H GLN 61 far 10 100 10 - 4.4-8.3 Violated in 2 structures by 0.01 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 2.2-3.6 4.0=97, 1.8/711=85...(11) HG2 ARG 27 - H GLN 61 far 0 63 0 - 8.0-13.7 HG3 ARG 27 - H GLN 61 far 0 65 0 - 9.6-13.7 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 4 73 5 - 4.6-8.9 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 2.6-4.0 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): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 62 + H LEU 62 OK 99 100 100 99 2.0-2.4 2571=68, 1.8/2578=53...(20) HB2 LEU 57 + H LEU 62 OK 53 83 70 92 3.7-5.7 1.8/5235=23, 4.2/5368=23...(17) HG2 PRO 34 - H LEU 62 far 0 95 0 - 7.8-9.5 HB2 LYS 32 - H LEU 62 far 0 65 0 - 8.2-12.6 HB ILE 33 - H LEU 62 far 0 78 0 - 9.2-10.9 HB3 LYS 32 - H LEU 62 far 0 65 0 - 9.8-13.0 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 4 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 99 100 100 99 3.0-3.6 2578=63, 1.8/2571=59...(18) HG LEU 62 + H LEU 62 OK 78 78 100 99 2.5-4.1 3.0/2571=44, 3.0/2578=42...(16) HD2 LYS 32 - H LEU 62 far 0 78 0 - 9.3-14.1 HD3 LYS 32 - H LEU 62 far 0 73 0 - 9.6-14.3 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 3 assignments used, quality = 1.00: * HG LEU 62 + H LEU 62 OK 99 100 100 99 2.5-4.1 2585=46, 3.0/2571=42...(16) HB3 LEU 62 + H LEU 62 OK 77 78 100 99 3.0-3.6 1.8/2571=56, 4.0=47...(19) HG LEU 64 - H LEU 62 far 0 68 0 - 5.5-8.4 Violated in 1 structures by 0.00 A. Peak 722 from nnoeabs.peaks (0.93, 8.82, 120.20 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 62 + H LEU 62 OK 100 100 100 100 3.2-4.4 2593/3.0=76, 2.1/2585=76...(20) QD1 LEU 64 - H LEU 62 far 0 71 0 - 6.6-8.0 QG2 ILE 40 - H LEU 62 far 0 100 0 - 8.5-9.8 HG12 ILE 68 - H LEU 62 far 0 98 0 - 9.1-12.1 Violated in 14 structures by 0.12 A. Peak 723 from nnoeabs.peaks (0.87, 8.82, 120.20 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 100 100 100 100 2.6-4.2 2599=89, 2.1/2585=75...(16) QD1 LEU 86 - H LEU 62 far 0 93 0 - 8.6-41.0 Violated in 1 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 2.7-2.9 3.0=100 HA GLU 59 + H ALA 63 OK 75 89 100 84 3.9-4.7 4637/3907=33...(8) 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 2.1-2.2 2.9=81, 263/934=31...(8) HB3 LEU 57 - H ALA 63 far 0 87 0 - 5.6-6.7 HB3 LEU 52 - H ALA 63 far 0 95 0 - 7.9-11.1 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): 2 out of 2 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.7-2.9 3.0=100 HA SER 60 + H LEU 64 OK 49 87 70 81 4.2-5.5 4995/263=46, 4647/934=36...(7) 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 5 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...(17) QE MET 31 + H LEU 64 OK 76 87 95 92 2.6-5.5 5082=37, 5074/732=29...(16) HG LEU 57 - H LEU 64 far 0 89 0 - 8.6-10.4 HB3 ARG 70 - H LEU 64 far 0 89 0 - 8.7-12.4 HB2 ARG 70 - H LEU 64 far 0 89 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 730 from nnoeabs.peaks (1.70, 7.42, 119.17 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 100 100 100 100 2.6-3.5 2626=81, 1.8/2619=64...(17) HG3 ARG 66 - H LEU 64 far 15 100 15 - 4.1-6.4 HG2 ARG 70 - H LEU 64 far 0 97 0 - 8.8-11.6 Violated in 6 structures by 0.03 A. Peak 731 from nnoeabs.peaks (1.54, 7.42, 119.17 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 64 + H LEU 64 OK 100 100 100 100 3.2-4.4 3.0/730=70, 2.1/2647=69...(14) HG LEU 62 - H LEU 64 far 0 68 0 - 5.9-7.3 HG3 ARG 23 - H LEU 64 far 0 100 0 - 9.9-18.3 Violated in 13 structures by 0.21 A. Peak 732 from nnoeabs.peaks (0.84, 7.42, 119.17 ppm; 4.16 A): 1 out of 2 assignments 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...(18) QD2 LEU 86 - H LEU 64 far 0 96 0 - 7.9-39.9 Violated in 0 structures by 0.00 A. Peak 733 from nnoeabs.peaks (0.95, 7.42, 119.17 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 4.2-4.4 2647=100, 2648/3.0=84...(14) QD2 LEU 62 + H LEU 64 OK 36 71 60 85 5.0-7.0 4.8/5776=37, 3910/934=35...(9) QG2 ILE 40 - H LEU 64 far 0 71 0 - 7.4-8.7 QG2 VAL 41 - H LEU 64 far 0 83 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 734 from nnoeabs.peaks (8.38, 8.38, 117.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + H VAL 65 OK 100 100 - 100 Peak 735 from nnoeabs.peaks (3.63, 8.38, 117.58 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 65 + H VAL 65 OK 100 100 100 100 2.7-2.9 3.0=100 HA ILE 40 - H VAL 65 far 0 100 0 - 8.4-10.6 HA ARG 69 - H VAL 65 far 0 100 0 - 8.6-10.1 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 2.1-2.8 2659=70, 2.1/2669=60...(10) HG2 GLU 59 - H VAL 65 far 0 97 0 - 9.1-11.6 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 2.8-3.8 2.1/736=60, 2664=60...(20) QG2 VAL 65 + H VAL 65 OK 82 83 100 99 1.9-3.6 2669=67, 2.1/736=60...(20) HG13 ILE 33 - H VAL 65 far 0 95 0 - 5.0-7.4 HG13 ILE 40 - H VAL 65 far 0 100 0 - 6.2-8.4 HG2 ARG 69 - H VAL 65 far 0 99 0 - 8.8-11.1 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 98 100 100 98 1.9-3.6 2669=68, 2.1/736=54...(20) QG1 VAL 65 + H VAL 65 OK 80 83 100 96 2.8-3.8 2.1/736=54, 2.1/2669=51...(20) HG13 ILE 33 - H VAL 65 far 0 99 0 - 5.0-7.4 HG13 ILE 40 - H VAL 65 far 0 85 0 - 6.2-8.4 HG LEU 52 - H VAL 65 far 0 89 0 - 7.9-9.4 HG2 ARG 69 - H VAL 65 far 0 63 0 - 8.8-11.1 Violated in 2 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 5 assignments used, quality = 1.00: * HA ARG 66 + H ARG 66 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 61 - H ARG 66 far 0 96 0 - 6.1-6.9 HA ARG 70 - H ARG 66 far 0 71 0 - 8.1-10.0 HA ALA 28 - H ARG 66 far 0 85 0 - 8.5-9.5 HA2 GLY 72 - H ARG 66 far 0 93 0 - 8.8-12.4 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 2.9-3.6 1.8/742=78, 4.0=70...(19) HB ILE 68 - H ARG 66 poor 18 81 30 72 4.6-5.8 3.9/5812=30, 4704/3.6=21...(9) HG12 ILE 40 - H ARG 66 far 0 60 0 - 7.3-9.8 HB3 ARG 27 - H ARG 66 far 0 78 0 - 8.0-11.5 HB2 ARG 71 - H ARG 66 far 0 76 0 - 8.2-10.8 HB2 ARG 27 - H ARG 66 far 0 76 0 - 9.0-11.5 HB3 ARG 71 - H ARG 66 far 0 78 0 - 9.3-10.8 Violated in 19 structures by 0.06 A. Peak 742 from nnoeabs.peaks (1.94, 8.59, 117.85 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.99: * HB3 ARG 66 + H ARG 66 OK 99 100 100 99 2.3-3.6 4.0=59, 1.8/741=56...(22) HG13 ILE 68 - H ARG 66 far 4 87 5 - 4.3-7.2 HB3 ARG 70 - H ARG 66 far 0 95 0 - 5.9-9.6 HB2 ARG 70 - H ARG 66 far 0 95 0 - 6.6-10.1 HB2 MET 31 - H ARG 66 far 0 99 0 - 8.4-10.0 HG LEU 57 - H ARG 66 far 0 95 0 - 8.9-9.9 HB2 GLN 79 - H ARG 66 far 0 71 0 - 8.9-23.8 Violated in 1 structures by 0.01 A. Peak 743 from nnoeabs.peaks (2.01, 8.59, 117.85 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 66 + H ARG 66 OK 100 100 100 100 2.0-3.4 1.8/744=58, 2.8/742=56...(16) QE MET 31 - H ARG 66 far 0 81 0 - 5.7-8.4 HD3 ARG 69 - H ARG 66 far 0 83 0 - 6.0-9.6 HD2 ARG 69 - H ARG 66 far 0 83 0 - 6.3-9.2 HB3 GLN 79 - H ARG 66 far 0 90 0 - 7.5-23.2 Violated in 1 structures by 0.00 A. Peak 744 from nnoeabs.peaks (1.70, 8.59, 117.85 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 66 + H ARG 66 OK 100 100 100 100 2.1-3.6 1.8/743=86, 2.8/742=70...(19) HB3 LEU 64 - H ARG 66 far 0 100 0 - 5.5-6.5 HG2 ARG 70 - H ARG 66 far 0 95 0 - 5.9-9.2 HB2 ARG 82 - H ARG 66 far 0 100 0 - 9.2-34.3 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 3.8-5.1 3.0/743=79, 3.4/742=72...(19) HD3 ARG 66 + H ARG 66 OK 100 100 100 100 4.3-5.0 3.0/743=79, 3.4/742=72...(19) HD3 ARG 70 - H ARG 66 far 0 92 0 - 5.8-10.1 HD2 ARG 70 - H ARG 66 far 0 89 0 - 6.0-10.6 HD2 ARG 27 - H ARG 66 far 0 83 0 - 8.0-12.0 HD3 ARG 27 - H ARG 66 far 0 83 0 - 8.1-12.4 HD3 ARG 71 - H ARG 66 far 0 97 0 - 8.7-11.6 Violated in 2 structures by 0.01 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 4.3-5.0 3.0/743=79, 3.4/742=72...(19) HD2 ARG 66 + H ARG 66 OK 100 100 100 100 3.8-5.1 3.0/743=79, 3.4/742=72...(19) HD3 ARG 70 - H ARG 66 far 0 89 0 - 5.8-10.1 HD2 ARG 70 - H ARG 66 far 0 85 0 - 6.0-10.6 HD2 ARG 27 - H ARG 66 far 0 87 0 - 8.0-12.0 HD3 ARG 27 - H ARG 66 far 0 87 0 - 8.1-12.4 HD3 ARG 71 - H ARG 66 far 0 95 0 - 8.7-11.6 Violated in 2 structures by 0.01 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 - 7.6-11.9 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 2.1-2.5 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 2.5-3.4 2738=84, 1.8/749=75...(8) Violated in 1 structures by 0.00 A. Peak 751 from nnoeabs.peaks (8.44, 8.44, 120.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + H ILE 68 OK 100 100 - 100 Peak 752 from nnoeabs.peaks (3.51, 8.44, 120.04 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + H ILE 68 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 753 from nnoeabs.peaks (1.90, 8.44, 120.04 ppm; 2.96 A): 2 out of 4 assignments used, quality = 0.99: * HB ILE 68 + H ILE 68 OK 97 100 100 97 2.3-2.7 2749=51, 2.9/2770=33...(23) HG13 ILE 68 + H ILE 68 OK 63 65 100 96 1.9-3.7 2.1/2777=37, 2.9/2749=36...(21) HB2 ARG 66 - H ILE 68 far 0 81 0 - 5.1-6.0 HG12 ILE 40 - H ILE 68 far 0 99 0 - 6.7-8.7 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 5 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...(23) QD1 ILE 68 + H ILE 68 OK 62 63 100 99 2.6-3.8 2.1/2770=53, 2.1/2763=45...(16) QG1 VAL 41 - H ILE 68 far 0 95 0 - 6.6-8.5 QD2 LEU 86 - H ILE 68 far 0 73 0 - 8.9-36.0 QD1 LEU 43 - H ILE 68 far 0 81 0 - 9.0-11.4 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 6 assignments used, quality = 1.00: * HG12 ILE 68 + H ILE 68 OK 100 100 100 100 2.0-4.0 1.8/2770=59, 2.1/2777=53...(16) QG2 ILE 40 + H ILE 68 OK 76 98 85 91 3.5-5.4 5616=35, 292/288=22...(15) QG2 VAL 41 - H ILE 68 far 5 93 5 - 4.8-6.5 QD2 LEU 62 - H ILE 68 far 0 98 0 - 6.4-9.2 QG2 VAL 76 - H ILE 68 far 0 100 0 - 7.2-14.8 QG1 VAL 76 - H ILE 68 far 0 100 0 - 8.5-14.3 Violated in 8 structures by 0.03 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 1.9-3.7 2770=45, 2.1/2777=38...(21) HB ILE 68 + H ILE 68 OK 63 65 100 96 2.3-2.7 3.9=44, 2.9/2770=34...(20) HB3 ARG 66 - H ILE 68 far 0 87 0 - 4.6-5.7 HG12 ILE 40 - H ILE 68 far 0 85 0 - 6.7-8.7 HB VAL 41 - H ILE 68 far 0 99 0 - 8.2-10.0 HB2 MET 31 - H ILE 68 far 0 96 0 - 8.4-10.2 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 2.6-3.8 2777=62, 2.1/2770=54...(17) QG2 ILE 68 + H ILE 68 OK 62 63 100 99 3.7-3.8 4.0=62, 2.1/2749=59...(21) QG1 VAL 41 - H ILE 68 far 0 92 0 - 6.6-8.5 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 2.7-2.9 2.9=100 HA VAL 65 + H ARG 69 OK 45 100 50 89 4.4-5.6 5313/288=37, 4710=37...(11) HA ILE 40 - H ARG 69 far 0 100 0 - 6.0-7.9 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 = 0.98: * HB2 ARG 69 + H ARG 69 OK 98 100 100 98 2.1-2.6 2792=70, 1.8/2800=43...(17) HB3 LYS 73 - H ARG 69 far 4 71 5 - 4.7-8.9 HB2 LYS 73 - H ARG 69 far 0 83 0 - 5.3-9.7 HB3 LYS 75 - H ARG 69 far 0 92 0 - 7.7-14.3 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 9 assignments used, quality = 1.00: * HB3 ARG 69 + H ARG 69 OK 98 100 100 98 2.4-3.6 1.8/760=71, 4.0=59...(18) HG3 ARG 69 + H ARG 69 OK 84 87 100 96 2.7-4.7 3.0/760=53, 4.7=37...(18) HG3 LYS 73 - H ARG 69 far 0 99 0 - 6.3-10.0 QB ALA 77 - H ARG 69 far 0 85 0 - 6.4-15.9 QB ALA 20 - H ARG 69 far 0 89 0 - 7.2-18.1 QB ALA 78 - H ARG 69 far 0 99 0 - 7.5-19.6 HG3 LYS 75 - H ARG 69 far 0 100 0 - 8.5-16.2 HG2 LYS 75 - H ARG 69 far 0 100 0 - 8.6-16.3 HG3 LYS 39 - H ARG 69 far 0 97 0 - 8.9-12.6 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 99 100 100 99 3.4-4.6 3.0/760=66, 4.7=53...(18) QG1 VAL 65 + H ARG 69 OK 87 99 100 89 4.4-5.3 3.2/4710=38, 5964/4.1=35...(14) QG2 VAL 65 - H ARG 69 far 9 63 15 - 5.1-6.9 HG13 ILE 40 - H ARG 69 far 5 98 5 - 5.3-7.1 HG13 ILE 33 - H ARG 69 far 0 81 0 - 8.4-11.3 Violated in 17 structures by 0.19 A. Peak 763 from nnoeabs.peaks (1.38, 7.98, 119.32 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.99: * HG3 ARG 69 + H ARG 69 OK 96 100 100 96 2.7-4.7 3.0/760=50, 4.7=34...(18) HB3 ARG 69 + H ARG 69 OK 85 87 100 97 2.4-3.6 1.8/760=68, 4.0=55...(18) HG3 LYS 73 - H ARG 69 far 0 97 0 - 6.3-10.0 QB ALA 77 - H ARG 69 far 0 100 0 - 6.4-15.9 QB ALA 20 - H ARG 69 far 0 100 0 - 7.2-18.1 QB ALA 78 - H ARG 69 far 0 97 0 - 7.5-19.6 HG3 LYS 75 - H ARG 69 far 0 95 0 - 8.5-16.2 HG2 LYS 75 - H ARG 69 far 0 95 0 - 8.6-16.3 HG3 LYS 39 - H ARG 69 far 0 63 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 766 from nnoeabs.peaks (7.95, 7.95, 118.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 70 + H ARG 70 OK 100 100 - 100 Peak 767 from nnoeabs.peaks (4.00, 7.95, 118.23 ppm; 3.36 A): 2 out of 2 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 OK 40 71 90 62 3.7-5.3 5047/4.3=16, 4766/4.3=14...(14) 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 = 0.99: HB3 ARG 70 + H ARG 70 OK 92 100 100 92 2.2-3.6 4.1=38, 2.9/770=32...(19) * HB2 ARG 70 + H ARG 70 OK 92 100 100 92 2.6-3.6 4.1=38, 2.9/770=32...(20) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.3-6.6 HB2 GLN 79 - H ARG 70 far 0 96 0 - 7.2-18.3 HB VAL 41 - H ARG 70 far 0 71 0 - 7.7-9.3 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.4-10.8 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 = 0.99: * HB3 ARG 70 + H ARG 70 OK 92 100 100 92 2.2-3.6 4.1=38, 2.9/770=32...(19) HB2 ARG 70 + H ARG 70 OK 92 100 100 92 2.6-3.6 4.1=38, 2.9/770=32...(20) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.3-6.6 HB2 GLN 79 - H ARG 70 far 0 96 0 - 7.2-18.3 HB VAL 41 - H ARG 70 far 0 71 0 - 7.7-9.3 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.4-10.8 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 6 assignments used, quality = 1.00: * HG2 ARG 70 + H ARG 70 OK 100 100 100 100 1.9-4.2 2864=65, 2844/2.9=63...(20) HG3 ARG 66 - H ARG 70 far 5 95 5 - 5.1-8.3 HB2 ARG 82 - H ARG 70 far 0 93 0 - 8.4-28.7 HB3 LEU 64 - H ARG 70 far 0 97 0 - 8.8-10.3 HB2 LEU 43 - H ARG 70 far 0 90 0 - 9.4-11.9 HB2 ARG 84 - H ARG 70 far 0 87 0 - 9.9-32.7 Violated in 5 structures by 0.04 A. Peak 771 from nnoeabs.peaks (1.61, 7.95, 118.23 ppm; 4.18 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 70 + H ARG 70 OK 100 100 100 100 2.0-4.6 1.8/770=81, 2873/2.9=63...(20) HG2 ARG 71 + H ARG 70 OK 69 99 80 88 3.9-6.9 5.0/303=44, 5.0/295=17...(17) HD3 LYS 73 - H ARG 70 far 5 100 5 - 5.3-9.9 HD2 LYS 73 - H ARG 70 far 0 100 0 - 5.7-10.1 HG2 ARG 84 - H ARG 70 far 0 85 0 - 7.5-31.7 HG3 ARG 84 - H ARG 70 far 0 85 0 - 7.6-32.9 HB2 LEU 86 - H ARG 70 far 0 100 0 - 8.9-37.5 HG3 ARG 27 - H ARG 70 far 0 83 0 - 9.5-13.4 HB3 LEU 62 - H ARG 70 far 0 73 0 - 9.9-12.3 Violated in 2 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 ALA 63 - H ARG 71 far 0 93 0 - 8.8-11.0 HA GLU 25 - H ARG 71 far 0 95 0 - 9.9-14.0 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 2.1-3.6 4.0=49, 2.8/779=45...(22) HB3 ARG 71 + H ARG 71 OK 95 100 100 95 2.5-3.6 4.0=49, 2.8/779=45...(16) HB2 ARG 66 - H ARG 71 far 0 76 0 - 6.2-9.1 HB2 LYS 75 - H ARG 71 far 0 97 0 - 7.2-12.1 HB2 ARG 27 - H ARG 71 far 0 100 0 - 8.5-12.5 HB2 ARG 23 - H ARG 71 far 0 99 0 - 8.6-15.3 HB3 ARG 27 - H ARG 71 far 0 100 0 - 8.6-11.8 HB3 ARG 23 - H ARG 71 far 0 100 0 - 9.5-16.1 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 2.1-3.6 4.0=49, 2.8/779=45...(22) * HB3 ARG 71 + H ARG 71 OK 95 100 100 95 2.5-3.6 4.0=49, 2.8/779=45...(15) HB2 ARG 66 - H ARG 71 far 0 78 0 - 6.2-9.1 HB2 LYS 75 - H ARG 71 far 0 97 0 - 7.2-12.1 HB2 ARG 27 - H ARG 71 far 0 100 0 - 8.5-12.5 HB2 ARG 23 - H ARG 71 far 0 99 0 - 8.6-15.3 HB3 ARG 27 - H ARG 71 far 0 100 0 - 8.6-11.8 HB3 ARG 23 - H ARG 71 far 0 99 0 - 9.5-16.1 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 9 assignments used, quality = 1.00: * HG2 ARG 71 + H ARG 71 OK 100 100 100 100 1.9-4.0 1.8/779=81, 5.0=45...(28) HG3 ARG 70 + H ARG 71 OK 98 99 100 99 2.3-4.8 1.8/307=68, 2873/3.6=45...(21) HD3 LYS 73 - H ARG 71 far 0 98 0 - 5.9-9.1 HD2 LYS 73 - H ARG 71 far 0 98 0 - 6.5-9.5 HG3 ARG 27 - H ARG 71 far 0 95 0 - 8.4-12.8 HG3 ARG 84 - H ARG 71 far 0 68 0 - 8.4-33.1 HG2 ARG 84 - H ARG 71 far 0 68 0 - 8.4-32.1 HB2 LEU 86 - H ARG 71 far 0 100 0 - 9.1-38.5 HG2 ARG 27 - H ARG 71 far 0 96 0 - 9.6-13.4 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 3 assignments used, quality = 0.99: * HG3 ARG 71 + H ARG 71 OK 99 100 100 99 2.2-3.8 2928=64, 1.8/778=33...(21) HB3 LYS 73 - H ARG 71 far 10 68 15 - 4.3-7.5 HB3 ARG 82 - H ARG 71 far 0 93 0 - 8.7-27.9 Violated in 3 structures by 0.02 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 2.3-2.8 3.0=100 HA THR 37 - H GLY 72 far 0 65 0 - 6.6-9.6 HA ARG 66 - H GLY 72 far 0 93 0 - 6.8-8.4 HA VAL 76 - H GLY 72 far 0 100 0 - 8.2-12.5 HA3 GLY 21 - H GLY 72 far 0 96 0 - 8.7-18.4 HA ALA 28 - H GLY 72 far 0 100 0 - 9.8-12.8 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 - 7.5-16.3 HA GLN 79 - H LYS 73 far 0 96 0 - 9.1-17.3 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 4 assignments used, quality = 0.97: * HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.1-3.4 4.0=47, 2.9/789=39...(22) HB2 ARG 69 - H LYS 73 far 0 83 0 - 5.3-6.8 HB2 LYS 75 - H LYS 73 far 0 83 0 - 5.4-9.3 HB2 ARG 23 - H LYS 73 far 0 73 0 - 9.3-16.2 Violated in 9 structures by 0.05 A. Peak 788 from nnoeabs.peaks (1.78, 8.00, 120.49 ppm; 3.13 A): 1 out of 5 assignments used, quality = 0.97: * HB3 LYS 73 + H LYS 73 OK 97 100 100 97 2.1-3.6 4.0=46, 2.9/789=38...(20) HG3 ARG 71 - H LYS 73 far 0 68 0 - 4.7-7.3 HB3 LYS 75 - H LYS 73 far 0 97 0 - 4.8-10.4 HB2 ARG 69 - H LYS 73 far 0 71 0 - 5.3-6.8 HB2 LYS 83 - H LYS 73 far 0 100 0 - 7.7-24.5 Violated in 4 structures by 0.03 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 2.5-4.2 2.9/788=72, 2.9/787=72...(21) Violated in 14 structures by 0.11 A. Peak 790 from nnoeabs.peaks (1.39, 8.00, 120.49 ppm; 3.99 A): 3 out of 10 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 2.0-4.7 1.8/789=78, 2.9/788=75...(24) HG3 ARG 69 + H LYS 73 OK 38 97 50 79 4.3-7.2 2816=22, 1.8/2808=17...(17) HB3 ARG 69 + H LYS 73 OK 27 99 35 77 4.8-7.0 2800=18, 5983/5987=17...(14) QB ALA 77 - H LYS 73 far 0 96 0 - 5.5-12.5 HG3 LYS 75 - H LYS 73 far 0 100 0 - 5.5-10.4 HG2 LYS 75 - H LYS 73 far 0 100 0 - 6.0-10.6 QB ALA 78 - H LYS 73 far 0 100 0 - 6.3-14.6 QB ALA 20 - H LYS 73 far 0 97 0 - 7.0-18.0 HG2 LYS 83 - H LYS 73 far 0 85 0 - 8.7-26.0 QB ALA 16 - H LYS 73 far 0 63 0 - 9.3-23.4 Violated in 14 structures by 0.09 A. Peak 791 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 73 + H LYS 73 OK 100 100 100 100 2.7-5.7 3.5/788=76, 3.5/787=76...(21) * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 3.6-5.9 3.5/788=76, 3.5/787=76...(21) HG3 ARG 70 + H LYS 73 OK 21 100 30 71 5.2-7.6 4.0/5987=58, 5840/4.5=15...(5) HG2 ARG 71 - H LYS 73 poor 15 98 25 62 4.7-7.5 5840/4.5=23, 5.0/942=15...(9) HG3 ARG 27 - H LYS 73 far 0 78 0 - 9.6-15.4 HG2 ARG 84 - H LYS 73 far 0 89 0 - 9.7-27.8 Violated in 3 structures by 0.00 A. Peak 792 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 73 + H LYS 73 OK 100 100 100 100 2.7-5.7 3.5/788=76, 3.5/787=76...(21) HD2 LYS 73 + H LYS 73 OK 100 100 100 100 3.6-5.9 3.5/788=76, 3.5/787=76...(21) HG3 ARG 70 + H LYS 73 OK 21 100 30 71 5.2-7.6 4.0/5987=58, 5840/4.5=15...(5) HG2 ARG 71 - H LYS 73 poor 15 98 25 62 4.7-7.5 5840/4.5=23, 5.0/942=15...(9) HG3 ARG 27 - H LYS 73 far 0 78 0 - 9.6-15.4 HG2 ARG 84 - H LYS 73 far 0 89 0 - 9.7-27.8 Violated in 3 structures by 0.00 A. Peak 795 from nnoeabs.peaks (8.15, 8.15, 119.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 74 + H ASN 74 OK 100 100 - 100 H ARG 26 + H ARG 26 OK 40 40 - 100 Peak 796 from nnoeabs.peaks (4.62, 8.15, 119.01 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 74 + H ASN 74 OK 100 100 100 100 2.3-2.9 3.0=100 HA ASN 80 - H ASN 74 far 0 99 0 - 6.8-17.4 HA PRO 36 - H ARG 26 far 0 55 0 - 8.6-11.2 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 3 assignments used, quality = 0.92: * HB2 ASN 74 + H ASN 74 OK 84 100 100 84 2.1-3.9 4.0=78, 334/4.6=22...(5) HB3 ASN 74 + H ASN 74 OK 47 57 100 81 2.3-4.1 4.0=78, 334/4.6=12...(4) HB3 ASP 67 - H ASN 74 far 0 65 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. Peak 798 from nnoeabs.peaks (2.78, 8.15, 119.01 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.94: * HB3 ASN 74 + H ASN 74 OK 88 100 100 88 2.3-4.1 4.0=83, 335/4.6=22...(4) HB2 ASN 74 + H ASN 74 OK 49 57 100 86 2.1-3.9 4.0=83, 335/4.6=12...(4) HB3 ASN 80 - H ASN 74 far 0 71 0 - 5.4-18.5 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 7 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 ALA 77 - H LYS 75 far 10 97 10 - 4.9-8.7 HA LYS 83 - H LYS 85 far 5 54 10 - 4.4-6.5 HA ALA 20 - H LYS 75 far 0 89 0 - 7.4-25.7 HB THR 37 - H LYS 75 far 0 81 0 - 8.4-16.7 HA GLU 19 - H LYS 75 far 0 95 0 - 8.7-28.0 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (1.84, 8.09, 121.69 ppm; 3.74 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LYS 75 + H LYS 75 OK 98 100 100 98 2.1-3.8 4.0=82, 340/5410=40...(16) HB2 LYS 73 + H LYS 75 OK 49 83 75 79 3.9-7.9 3076=21, 2.9/5849=21...(13) HB3 ARG 71 - H LYS 75 far 10 97 10 - 4.1-10.4 HB2 ARG 71 - H LYS 75 far 5 97 5 - 5.1-10.5 HB2 ARG 23 - H LYS 75 far 0 100 0 - 7.1-22.0 HB3 ARG 23 - H LYS 75 far 0 100 0 - 8.6-20.4 HB ILE 89 - H LYS 85 far 0 40 0 - 9.8-16.3 Violated in 1 structures by 0.00 A. Peak 804 from nnoeabs.peaks (1.79, 8.09, 121.69 ppm; 3.56 A): 4 out of 8 assignments used, quality = 0.99: * HB3 LYS 75 + H LYS 75 OK 95 100 100 95 2.1-4.1 4.0=70, 4.6/5410=29...(17) HB3 LYS 73 + H LYS 75 OK 45 97 60 77 2.2-6.9 2.9/5849=19, 1.8/3076=17...(13) HB2 LYS 85 + H LYS 85 OK 39 44 100 87 2.6-4.1 4.0=68, 386/4.7=23...(8) HB3 ARG 84 + H LYS 85 OK 36 44 100 81 2.2-4.3 4.6=45, 3370/3.6=21...(11) HB2 LYS 83 - H LYS 85 far 3 52 5 - 3.5-8.3 HB2 ARG 69 - H LYS 75 far 0 92 0 - 6.7-12.6 HB3 ARG 82 - H LYS 85 far 0 35 0 - 7.0-10.8 HB2 LYS 83 - H LYS 75 far 0 99 0 - 9.8-22.2 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 11 assignments used, quality = 1.00: HG3 LYS 75 + H LYS 75 OK 100 100 100 100 1.9-4.8 4.8=81, 2.7/803=54...(25) * HG2 LYS 75 + H LYS 75 OK 100 100 100 100 2.6-5.0 4.8=81, 2.7/803=54...(25) QB ALA 77 + H LYS 75 OK 56 93 70 85 3.9-8.1 16040/3.6=68...(9) HG2 LYS 85 + H LYS 85 OK 45 48 100 95 2.1-5.0 4.8=80, 1.8/5849=39...(6) HG3 LYS 73 + H LYS 75 OK 39 100 45 88 3.1-7.2 1.8/5849=37, 2.9/803=26...(18) QB ALA 78 - H LYS 75 poor 20 100 20 - 4.9-10.9 HB3 ARG 69 - H LYS 75 far 10 100 10 - 5.4-11.5 HG2 LYS 83 - H LYS 85 poor 7 37 20 - 4.9-8.2 QB ALA 20 - H LYS 75 far 5 96 5 - 6.0-22.9 HG3 ARG 69 - H LYS 75 far 5 95 5 - 5.6-11.9 QB ALA 78 - H LYS 85 far 0 54 0 - 8.9-15.5 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 11 assignments used, quality = 1.00: * HG3 LYS 75 + H LYS 75 OK 100 100 100 100 1.9-4.8 4.8=81, 2.7/803=54...(25) HG2 LYS 75 + H LYS 75 OK 100 100 100 100 2.6-5.0 4.8=81, 2.7/803=54...(25) QB ALA 77 + H LYS 75 OK 56 93 70 85 3.9-8.1 16040/3.6=68...(9) HG2 LYS 85 + H LYS 85 OK 45 48 100 95 2.1-5.0 4.8=80, 1.8/5849=39...(6) HG3 LYS 73 + H LYS 75 OK 39 100 45 88 3.1-7.2 1.8/5849=37, 2.9/803=26...(18) QB ALA 78 - H LYS 75 poor 20 100 20 - 4.9-10.9 HB3 ARG 69 - H LYS 75 far 10 100 10 - 5.4-11.5 HG2 LYS 83 - H LYS 85 poor 7 37 20 - 4.9-8.2 QB ALA 20 - H LYS 75 far 5 96 5 - 6.0-22.9 HG3 ARG 69 - H LYS 75 far 5 95 5 - 5.6-11.9 QB ALA 78 - H LYS 85 far 0 54 0 - 8.9-15.5 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 5 assignments used, quality = 1.00: * HA VAL 76 + H VAL 76 OK 100 100 100 100 2.3-2.9 3.0=100 HA2 GLY 72 - H VAL 76 far 5 100 5 - 4.0-11.5 HA3 GLY 21 - H VAL 76 far 0 89 0 - 6.3-25.2 HA2 GLY 21 - H VAL 76 far 0 90 0 - 7.5-26.3 HA ARG 66 - H VAL 76 far 0 98 0 - 9.2-17.5 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 6 assignments used, quality = 0.91: * HB VAL 76 + H VAL 76 OK 91 100 100 91 2.7-3.9 4.0=51, 2.1/814=33...(10) HD2 ARG 69 - H VAL 76 far 9 93 10 - 3.8-15.3 HD3 ARG 69 - H VAL 76 far 9 93 10 - 4.0-13.8 HB VAL 45 - H VAL 76 far 0 81 0 - 7.6-18.1 HB2 GLU 25 - H VAL 76 far 0 98 0 - 9.3-22.7 HB3 GLU 19 - H VAL 76 far 0 99 0 - 9.4-30.8 Violated in 7 structures by 0.14 A. Peak 814 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 76 + H VAL 76 OK 95 100 100 95 2.2-4.0 2.1/813=60, 3.9=50...(15) QG2 VAL 76 + H VAL 76 OK 95 100 100 95 1.9-4.0 2.1/813=60, 3.9=50...(14) QG2 VAL 41 - H VAL 76 far 5 93 5 - 4.4-11.0 QG2 ILE 40 - H VAL 76 far 0 98 0 - 7.6-13.4 HG12 ILE 68 - H VAL 76 far 0 100 0 - 8.7-18.1 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 5 assignments used, quality = 1.00: QG1 VAL 76 + H VAL 76 OK 95 100 100 95 2.2-4.0 2.1/813=60, 3.9=50...(15) * QG2 VAL 76 + H VAL 76 OK 95 100 100 95 1.9-4.0 2.1/813=60, 3.9=50...(14) QG2 VAL 41 - H VAL 76 far 5 93 5 - 4.4-11.0 QG2 ILE 40 - H VAL 76 far 0 98 0 - 7.6-13.4 HG12 ILE 68 - H VAL 76 far 0 100 0 - 8.7-18.1 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 51 97 80 65 3.1-6.4 3975/5433=42, 4.7/349=34...(5) HA ALA 78 - H ALA 77 poor 16 63 25 - 4.6-6.4 HA GLU 19 - H ALA 77 far 0 76 0 - 8.5-30.4 HA ALA 20 - H ALA 77 far 0 65 0 - 8.9-28.7 Violated in 0 structures by 0.00 A. Peak 818 from nnoeabs.peaks (1.38, 8.23, 126.87 ppm; 3.02 A): 2 out of 9 assignments used, quality = 1.00: * QB ALA 77 + H ALA 77 OK 100 100 100 100 2.0-2.9 2.9=100 QB ALA 78 + H ALA 77 OK 22 96 35 64 3.5-5.9 2.9/5857=18, 5412=10...(17) HG3 LYS 75 - H ALA 77 far 9 93 10 - 4.0-8.7 HG3 LYS 73 - H ALA 77 far 0 96 0 - 4.8-13.5 HG2 LYS 75 - H ALA 77 far 0 93 0 - 5.3-8.2 HG3 ARG 69 - H ALA 77 far 0 100 0 - 6.1-16.8 HB3 ARG 69 - H ALA 77 far 0 85 0 - 6.5-15.9 QB ALA 20 - H ALA 77 far 0 100 0 - 7.3-25.7 HG2 LYS 83 - H ALA 77 far 0 99 0 - 9.4-19.8 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 59 65 100 89 2.1-3.5 3.6=73, 2.1/355=34...(12) HA GLN 79 - H ALA 78 far 10 98 10 - 4.4-5.6 HA LYS 73 - H ALA 78 far 3 69 5 - 4.2-15.5 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 9 assignments used, quality = 0.98: * QB ALA 78 + H ALA 78 OK 94 100 100 94 2.0-2.9 2.9=92, 3.6/5857=12...(5) QB ALA 77 + H ALA 78 OK 75 96 100 78 2.1-3.7 3.6=51, 2.1/354=32...(13) HG3 LYS 73 - H ALA 78 far 5 100 5 - 3.7-16.3 HG2 LYS 75 - H ALA 78 far 0 100 0 - 5.3-11.9 HG3 ARG 69 - H ALA 78 far 0 97 0 - 5.8-19.2 HG3 LYS 75 - H ALA 78 far 0 100 0 - 6.6-12.5 HG2 LYS 83 - H ALA 78 far 0 85 0 - 6.9-17.6 HB3 ARG 69 - H ALA 78 far 0 99 0 - 7.1-20.3 QB ALA 20 - H ALA 78 far 0 97 0 - 7.2-26.8 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 2.3-2.9 3.0=100 HA ALA 78 + H GLN 79 OK 98 98 100 100 2.2-3.6 3.6=100 HA LYS 73 - H GLN 79 far 9 87 10 - 4.9-17.4 HA ARG 82 - H GLN 79 far 0 81 0 - 8.0-11.8 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 5 assignments used, quality = 0.96: * HB2 GLN 79 + H GLN 79 OK 91 100 100 91 2.2-3.9 4.0=78, 3.0/5415=24...(6) HB3 GLN 79 + H GLN 79 OK 57 63 100 91 2.1-4.0 4.0=78, 3.0/5415=24...(7) HB2 ARG 70 - H GLN 79 far 5 96 5 - 5.1-19.5 HB3 ARG 70 - H GLN 79 far 0 96 0 - 5.8-18.2 HB3 ARG 66 - H GLN 79 far 0 71 0 - 9.6-24.8 Violated in 0 structures by 0.00 A. Peak 830 from nnoeabs.peaks (8.31, 8.31, 123.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 83 + H LYS 83 OK 100 100 - 100 Peak 831 from nnoeabs.peaks (4.24, 8.31, 123.08 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 83 + H LYS 83 OK 100 100 100 100 2.8-2.9 2.9=100 HA LYS 85 - H LYS 83 far 5 93 5 - 4.8-9.4 HA ALA 77 - H LYS 83 far 0 97 0 - 7.6-15.1 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 5 assignments used, quality = 1.00: * HB2 LYS 83 + H LYS 83 OK 100 100 100 100 2.2-3.8 4.0=100 HB3 ARG 82 + H LYS 83 OK 83 90 100 92 3.8-4.6 4.4=75, 5479/5.0=40...(6) HB3 ARG 84 - H LYS 83 poor 16 81 20 - 4.6-7.4 HB2 LYS 85 - H LYS 83 far 0 81 0 - 6.8-10.9 HB3 LYS 73 - H LYS 83 far 0 100 0 - 7.1-22.1 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 5 assignments used, quality = 0.99: * HB3 LYS 83 + H LYS 83 OK 97 100 100 97 2.4-3.9 4.0=92, 1.8/832=39...(7) HB2 ARG 82 + H LYS 83 OK 67 76 100 88 2.7-4.5 4.4=69, 1.8/361=39...(5) HB2 ARG 84 - H LYS 83 poor 17 98 30 59 4.5-7.2 3.0/5896=21, 3.0/5896=19...(7) HB3 LYS 85 - H LYS 83 far 0 100 0 - 6.0-9.5 HG2 ARG 70 - H LYS 83 far 0 98 0 - 9.9-27.6 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 7 assignments used, quality = 1.00: * HA ARG 84 + H ARG 84 OK 100 100 100 100 2.7-2.9 3.0=100 HA ARG 82 - H ARG 84 poor 20 99 20 - 3.2-6.5 HA LEU 29 - H ALA 28 far 0 57 0 - 5.0-5.5 HA GLN 79 - H ARG 84 far 0 95 0 - 6.5-13.4 HB THR 15 - H ALA 28 far 0 71 0 - 7.7-20.8 HA ALA 78 - H ARG 84 far 0 78 0 - 8.5-14.2 HA ILE 89 - H ALA 28 far 0 74 0 - 9.1-51.5 Violated in 0 structures by 0.00 A. Peak 842 from nnoeabs.peaks (1.73, 8.20, 122.31 ppm; 3.66 A): 3 out of 11 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=40...(18) HB3 LYS 83 + H ARG 84 OK 85 98 100 87 1.9-4.4 4.3=63, 1.8/368=37...(8) HB2 LEU 29 + H ALA 28 OK 33 81 45 90 4.5-6.2 546/76=54, 3764/5538=31...(10) HB3 LYS 85 - H ARG 84 poor 20 100 20 - 4.5-6.8 HG3 ARG 26 - H ALA 28 far 6 61 10 - 4.7-6.7 HB3 LEU 64 - H ALA 28 far 0 45 0 - 5.3-7.9 HG3 ARG 26 - H ARG 84 far 0 78 0 - 7.3-39.0 HG2 ARG 70 - H ARG 84 far 0 87 0 - 7.6-30.6 HG3 ARG 71 - H ALA 28 far 0 54 0 - 8.0-13.3 HB3 ARG 17 - H ALA 28 far 0 71 0 - 8.1-18.9 HB2 ARG 84 - H ALA 28 far 0 86 0 - 9.5-40.1 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 10 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=35...(15) HB2 LYS 83 + H ARG 84 OK 71 81 100 89 1.9-4.6 4.3=70, 1.8/842=31...(11) HB2 LYS 85 - H ARG 84 far 5 100 5 - 3.9-7.5 HB2 LYS 13 - H ALA 28 far 0 77 0 - 7.9-25.8 HB2 LYS 73 - H ARG 84 far 0 83 0 - 8.2-24.5 HB3 LYS 73 - H ARG 84 far 0 71 0 - 8.5-23.9 HB2 LYS 32 - H ALA 28 far 0 45 0 - 8.7-10.3 HB3 LYS 32 - H ALA 28 far 0 45 0 - 9.2-10.6 HB3 LYS 75 - H ALA 28 far 0 74 0 - 9.3-23.6 HB2 LYS 85 - H ALA 28 far 0 86 0 - 9.9-40.5 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 13 assignments used, quality = 1.00: * HG2 ARG 84 + H ARG 84 OK 97 100 100 97 2.0-4.4 5.0=55, 3.0/843=39...(19) HG3 ARG 84 + H ARG 84 OK 97 100 100 97 2.2-4.6 5.0=55, 3.0/843=39...(19) HB3 LEU 29 - H ALA 28 far 8 77 10 - 5.4-6.4 HG2 ARG 26 - H ALA 28 far 5 48 10 - 4.5-7.3 HG LEU 86 - H ALA 28 far 4 85 5 - 5.6-47.2 HB2 LEU 86 - H ALA 28 far 0 63 0 - 6.4-45.2 HG3 ARG 70 - H ARG 84 far 0 85 0 - 6.5-29.1 HB2 LEU 86 - H ARG 84 far 0 81 0 - 6.6-10.3 HG LEU 86 - H ARG 84 far 0 100 0 - 7.0-10.9 HD2 LYS 73 - H ARG 84 far 0 89 0 - 8.2-25.6 HG2 ARG 26 - H ARG 84 far 0 63 0 - 8.4-40.3 HG2 ARG 71 - H ALA 28 far 0 52 0 - 9.5-14.2 HD3 LYS 73 - H ARG 84 far 0 89 0 - 9.7-24.8 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 13 assignments used, quality = 1.00: HG2 ARG 84 + H ARG 84 OK 97 100 100 97 2.0-4.4 5.0=55, 3.0/843=39...(19) * HG3 ARG 84 + H ARG 84 OK 97 100 100 97 2.2-4.6 5.0=55, 3.0/843=39...(19) HB3 LEU 29 - H ALA 28 far 8 77 10 - 5.4-6.4 HG2 ARG 26 - H ALA 28 far 5 48 10 - 4.5-7.3 HG LEU 86 - H ALA 28 far 4 85 5 - 5.6-47.2 HB2 LEU 86 - H ALA 28 far 0 63 0 - 6.4-45.2 HG3 ARG 70 - H ARG 84 far 0 85 0 - 6.5-29.1 HB2 LEU 86 - H ARG 84 far 0 81 0 - 6.6-10.3 HG LEU 86 - H ARG 84 far 0 100 0 - 7.0-10.9 HD2 LYS 73 - H ARG 84 far 0 89 0 - 8.2-25.6 HG2 ARG 26 - H ARG 84 far 0 63 0 - 8.4-40.3 HG2 ARG 71 - H ALA 28 far 0 52 0 - 9.5-14.2 HD3 LYS 73 - H ARG 84 far 0 89 0 - 9.7-24.8 Violated in 0 structures by 0.00 A. Peak 848 from nnoeabs.peaks (8.11, 8.11, 122.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 85 + H LYS 85 OK 100 100 - 100 H LYS 75 + H LYS 75 OK 46 46 - 100 Peak 849 from nnoeabs.peaks (4.23, 8.11, 122.06 ppm; 4.05 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 85 + H LYS 85 OK 100 100 100 100 2.8-2.9 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 14 93 15 - 4.4-6.5 HA ALA 77 - H LYS 75 poor 11 53 20 - 4.9-8.7 HA ALA 78 - H LYS 75 far 0 34 0 - 6.8-11.6 HB THR 37 - H LYS 75 far 0 52 0 - 8.4-16.7 HA GLU 19 - H LYS 75 far 0 27 0 - 8.7-28.0 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 9 assignments used, quality = 1.00: * HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.6-4.1 4.0=82, 1.8/851=38...(8) HB3 ARG 84 + H LYS 85 OK 94 100 100 94 2.2-4.3 4.6=55, 3.0/377=48...(12) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.1-4.1 4.0=85, 341/4.6=24...(16) HB2 LYS 73 - H LYS 75 poor 20 38 75 68 3.9-7.9 3.0/4008=20, 324/4.6=17...(12) HB3 LYS 73 - H LYS 75 poor 19 31 85 72 2.2-6.9 3.0/4008=20, 1.8/3076=19...(12) HB2 LYS 83 - H LYS 85 far 4 81 5 - 3.5-8.3 HB2 ARG 69 - H LYS 75 far 0 54 0 - 6.7-12.6 HB2 LYS 83 - H LYS 75 far 0 37 0 - 9.8-22.2 HB ILE 89 - H LYS 85 far 0 81 0 - 9.8-16.3 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 11 assignments used, quality = 1.00: * HB3 LYS 85 + H LYS 85 OK 96 100 100 96 2.2-3.5 4.0=80, 387/4.7=33...(10) HB2 ARG 84 + H LYS 85 OK 92 100 100 92 2.0-4.5 4.6=53, 3.0/377=47...(11) HB3 LYS 83 - H LYS 85 far 15 100 15 - 2.7-7.5 HG3 ARG 71 - H LYS 75 far 0 26 0 - 5.5-11.7 HB2 ARG 82 - H LYS 85 far 0 63 0 - 6.0-9.6 HG3 ARG 26 - H LYS 85 far 0 68 0 - 6.0-42.5 HG2 ARG 70 - H LYS 75 far 0 46 0 - 6.1-10.3 HB2 LEU 29 - H LYS 85 far 0 99 0 - 7.9-44.4 HG2 ARG 70 - H LYS 85 far 0 93 0 - 8.8-32.9 HB3 ARG 17 - H LYS 75 far 0 37 0 - 9.5-32.0 HG3 ARG 71 - H LYS 85 far 0 60 0 - 9.9-36.2 Violated in 0 structures by 0.00 A. Peak 852 from nnoeabs.peaks (1.38, 8.11, 122.06 ppm; 4.71 A): 5 out of 12 assignments used, quality = 1.00: * HG2 LYS 85 + H LYS 85 OK 99 100 100 99 2.1-5.0 4.8=92, 2.9/851=42...(6) HG3 LYS 75 + H LYS 75 OK 48 48 100 100 1.9-4.8 4.8=94, 3070/3.0=42...(24) HG2 LYS 75 + H LYS 75 OK 48 48 100 100 2.6-5.0 4.8=94, 3070/3.0=42...(24) QB ALA 77 + H LYS 75 OK 36 54 75 90 3.9-8.1 16040/3.6=78...(8) HG3 LYS 73 + H LYS 75 OK 23 49 55 84 3.1-7.2 3.8/4008=25, 2.9/3076=22...(16) HG2 LYS 83 - H LYS 85 poor 20 98 20 - 4.9-8.2 QB ALA 78 - H LYS 75 poor 12 49 25 - 4.9-10.9 HB3 ARG 69 - H LYS 75 far 6 42 15 - 5.4-11.5 HG3 ARG 69 - H LYS 75 far 5 54 10 - 5.6-11.9 QB ALA 20 - H LYS 75 far 3 54 5 - 6.0-22.9 QB ALA 78 - H LYS 85 far 0 97 0 - 8.9-15.5 QB ALA 16 - H LYS 75 far 0 41 0 - 9.7-27.3 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 1.9-4.7 4.8=100 HG2 LYS 73 - H LYS 75 poor 18 31 75 78 2.0-8.1 3.8/4008=26, 2.9/3076=23...(11) HG13 ILE 89 - H LYS 85 far 0 93 0 - 8.5-17.1 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): 2 out of 4 assignments used, quality = 1.00: * HA LEU 86 + H LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 87 + H LEU 86 OK 55 93 75 79 4.6-5.5 3.0/5898=46, 3528/861=19...(10) HA THR 88 - H LEU 86 far 0 78 0 - 6.0-9.1 HA ASP 38 - H LEU 86 far 0 76 0 - 9.6-37.5 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 7 assignments used, quality = 0.95: * HB2 LEU 86 + H LEU 86 OK 88 100 100 88 2.0-4.0 4.0=56, 3.0/5894=25...(14) HG LEU 86 + H LEU 86 OK 55 90 80 76 2.2-5.1 3537/4.0=25, ~3519=24...(7) HG3 ARG 84 - H LEU 86 far 8 81 10 - 3.7-9.0 HG2 ARG 84 - H LEU 86 far 0 81 0 - 5.1-8.7 HG2 ARG 26 - H LEU 86 far 0 99 0 - 6.9-45.7 HG3 ARG 70 - H LEU 86 far 0 100 0 - 7.9-33.7 HG2 ARG 71 - H LEU 86 far 0 100 0 - 9.9-37.7 Violated in 0 structures by 0.00 A. Peak 861 from nnoeabs.peaks (1.56, 8.27, 123.92 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.93: * HB3 LEU 86 + H LEU 86 OK 93 100 100 93 2.4-3.5 4.0=61, 397/5898=27...(14) HB3 LEU 29 - H LEU 86 far 0 89 0 - 6.0-46.8 Violated in 2 structures by 0.01 A. Peak 862 from nnoeabs.peaks (1.60, 8.27, 123.92 ppm; 3.16 A): 2 out of 8 assignments used, quality = 0.89: HB2 LEU 86 + H LEU 86 OK 77 90 100 85 2.0-4.0 4.0=50, 3.0/5894=22...(13) * HG LEU 86 + H LEU 86 OK 52 100 70 74 2.2-5.1 3537/4.0=26, 3517/3.0=25...(7) HG3 ARG 84 - H LEU 86 far 10 100 10 - 3.7-9.0 HG2 ARG 84 - H LEU 86 far 0 100 0 - 5.1-8.7 HB3 LEU 29 - H LEU 86 far 0 87 0 - 6.0-46.8 HG2 ARG 26 - H LEU 86 far 0 76 0 - 6.9-45.7 HG3 ARG 70 - H LEU 86 far 0 93 0 - 7.9-33.7 HG2 ARG 71 - H LEU 86 far 0 81 0 - 9.9-37.7 Violated in 0 structures by 0.00 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 2.8-2.9 3.0=100 HA LEU 86 + H GLU 87 OK 83 93 100 89 2.1-3.6 3.6=60, 3.0/397=29...(12) 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 4 assignments used, quality = 1.00: * HB2 GLU 87 + H GLU 87 OK 100 100 100 100 2.2-4.0 4.0=100 HB3 GLU 25 - H GLU 87 far 0 76 0 - 8.2-45.1 HB VAL 90 - H GLU 87 far 0 95 0 - 8.4-12.5 HB2 GLU 25 - H GLU 87 far 0 78 0 - 9.6-44.9 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 4 assignments used, quality = 0.89: * HB3 GLU 87 + H GLU 87 OK 89 100 100 89 2.5-3.7 4.0=75, 3.0/870=23...(5) HB3 ARG 26 - H GLU 87 far 0 65 0 - 8.7-49.2 HB2 ARG 26 - H GLU 87 far 0 63 0 - 9.6-50.0 HB2 GLN 91 - H GLU 87 far 0 97 0 - 9.8-15.5 Violated in 1 structures by 0.00 A. Peak 869 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 87 + H GLU 87 OK 99 100 100 99 2.0-4.6 4.8=93, 3.0/868=83...(5) HG3 GLU 87 + H GLU 87 OK 99 100 100 99 2.6-4.7 4.8=93, 3.0/868=83...(5) Violated in 0 structures by 0.00 A. Peak 870 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 87 + H GLU 87 OK 94 100 100 94 2.6-4.7 3.0/868=72, 4.8=68...(5) HG2 GLU 87 + H GLU 87 OK 94 100 100 94 2.0-4.6 3.0/868=72, 4.8=68...(5) Violated in 0 structures by 0.00 A. Peak 871 from nnoeabs.peaks (8.13, 8.13, 115.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 88 + H THR 88 OK 100 100 - 100 Peak 872 from nnoeabs.peaks (4.28, 8.13, 115.78 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 88 + H THR 88 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 86 - H THR 88 poor 20 78 25 - 3.3-7.0 HA SER 60 - H THR 88 far 0 100 0 - 9.9-50.0 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 3 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 - 7.2-11.9 HA ALA 30 - H THR 88 far 0 90 0 - 9.5-52.7 Violated in 0 structures by 0.00 A. Peak 874 from nnoeabs.peaks (1.15, 8.13, 115.78 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 88 + H THR 88 OK 100 100 100 100 1.9-4.0 4.0=100 HG12 ILE 89 + H THR 88 OK 50 100 75 67 3.3-8.1 3588/3.0=30, 410/4.6=29...(4) QG2 THR 37 - H THR 88 far 0 71 0 - 9.8-36.9 Violated in 0 structures by 0.00 A. Peak 875 from nnoeabs.peaks (8.17, 8.17, 124.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + H ILE 89 OK 100 100 - 100 Peak 876 from nnoeabs.peaks (4.17, 8.17, 124.35 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + H ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 29 - H ILE 89 far 0 98 0 - 6.4-52.6 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 3 assignments used, quality = 0.91: * HB ILE 89 + H ILE 89 OK 91 100 100 91 2.5-3.7 4.0=70, 2.9/5269=44...(5) HB2 LYS 85 - H ILE 89 far 0 81 0 - 7.6-13.0 HB3 ARG 84 - H ILE 89 far 0 81 0 - 8.0-16.7 Violated in 4 structures by 0.02 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 2.1-4.4 3.9=91, 3.2/408=66...(7) * HG12 ILE 89 + H ILE 89 OK 97 100 100 97 2.0-4.0 1.8/5269=65, 2.9/877=63...(6) 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 3 assignments used, quality = 1.00: * HA VAL 90 + H VAL 90 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 26 - H ALA 12 far 0 52 0 - 7.8-31.8 HA ARG 26 - H VAL 90 far 0 99 0 - 9.2-55.6 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 6 assignments used, quality = 1.00: * HB VAL 90 + H VAL 90 OK 100 100 100 100 2.5-3.6 3.9=100 HB3 MET 11 + H ALA 12 OK 47 48 100 99 2.0-4.4 4.1=99 HB3 GLN 91 - H VAL 90 far 8 78 10 - 4.2-7.4 HB2 GLU 87 - H VAL 90 far 0 95 0 - 6.7-10.2 QE MET 31 - H ALA 12 far 0 26 0 - 8.7-28.3 HB3 GLU 19 - H ALA 12 far 0 38 0 - 10.0-26.4 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 2.1-4.0 4.0=100 QD1 LEU 86 - H VAL 90 poor 19 96 20 - 4.4-12.2 QD1 LEU 29 - H ALA 12 far 2 38 5 - 4.4-24.4 QD1 LEU 29 - H VAL 90 far 0 83 0 - 6.1-47.7 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: * QG2 VAL 90 + H VAL 90 OK 100 100 100 100 2.1-4.0 4.0=100 QG1 VAL 90 + H VAL 90 OK 100 100 100 100 2.0-4.0 4.0=100 QD1 LEU 86 - H VAL 90 poor 19 97 20 - 4.4-12.2 QD1 LEU 29 - H ALA 12 far 2 40 5 - 4.4-24.4 QD1 LEU 29 - H VAL 90 far 0 85 0 - 6.1-47.7 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 2.2-3.8 3.6=100 HB3 GLU 87 - H GLN 91 far 0 97 0 - 9.8-13.7 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 2 assignments used, quality = 1.00: * HB3 GLN 91 + H GLN 91 OK 100 100 100 100 2.4-4.0 3.6=100 HB VAL 90 + H GLN 91 OK 78 78 100 100 3.9-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 903 from nnoeabs.peaks (8.20, 8.34, 120.23 ppm; 4.15 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 25 + H ASP 24 OK 99 100 100 99 2.3-2.8 50=86, 53/518=59...(10) H SER 22 + H ASP 24 OK 61 97 85 74 4.3-5.9 3.9/4156=40, 3.9/5320=32...(5) H ARG 27 + H ASP 24 OK 52 76 100 68 4.8-5.6 5383/3.0=45, 3741/518=13...(8) H ALA 28 - H ASP 24 far 0 96 0 - 6.1-7.3 H GLN 79 - H ASP 24 far 0 92 0 - 7.8-24.9 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 5 assignments used, quality = 0.97: * H ARG 26 + H GLU 25 OK 97 100 100 97 2.3-3.0 4.6=58, 4169/3.6=39...(12) H ARG 71 - H GLU 25 far 0 71 0 - 9.0-14.3 H LYS 85 - H GLU 25 far 0 68 0 - 9.2-39.2 H ASN 74 - H GLU 25 far 0 81 0 - 9.2-17.3 H ALA 78 - H GLU 25 far 0 89 0 - 9.9-24.5 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 4 assignments used, quality = 1.00: * H LEU 29 + H ALA 28 OK 100 100 100 100 2.4-3.0 76=100, 78/2.9=60...(14) H LYS 32 - H ALA 28 far 0 97 0 - 5.5-6.9 H ARG 70 - H ARG 84 far 0 86 0 - 8.8-30.2 H ASP 67 - H ALA 28 far 0 81 0 - 9.6-10.8 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 = 0.93: * H ALA 30 + H LEU 29 OK 93 100 100 93 2.4-2.9 79=52, 3764/546=26...(15) Violated in 13 structures by 0.10 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...(12) 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 2.0-2.6 89=79, 90/3.0=49...(21) H LEU 29 + H MET 31 OK 90 97 100 93 3.6-4.1 908/909=51, 3.0/5526=30...(13) 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...(10) 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 2.6-3.0 123=84, 127/4888=31...(14) Violated in 0 structures by 0.00 A. Peak 914 from nnoeabs.peaks (7.24, 7.39, 117.25 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + H LYS 39 OK 100 100 100 100 2.1-2.8 127=96, 129/593=45...(13) 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 2.2-3.1 137=87, 139/1929=40...(16) HD21 ASN 42 - H ILE 40 far 0 100 0 - 4.9-6.7 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 = 0.97: * H ASN 42 + H VAL 41 OK 97 100 100 97 2.2-2.8 144=51, 146/3.9=41...(12) 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 2.3-3.1 149=100, 3824/3.0=55...(10) 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 2.5-2.8 166/630=66, 4.6=66...(10) H PHE 48 + H VAL 45 OK 93 100 100 93 4.5-5.0 4451/3.0=37, 171/5651=33...(13) Violated in 0 structures by 0.00 A. Peak 919 from nnoeabs.peaks (7.27, 8.77, 119.44 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.98: * H ASP 47 + H ASP 46 OK 98 100 100 98 2.4-2.8 170/634=50, 167=50...(19) 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 98 100 100 98 2.3-2.9 171=67, 174/638=30...(24) H ASP 46 + H ASP 47 OK 97 100 100 97 2.4-2.8 919=67, 634/170=38...(19) Violated in 0 structures by 0.00 A. Peak 921 from nnoeabs.peaks (8.65, 8.77, 123.38 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 49 + H PHE 48 OK 99 100 100 99 2.6-3.0 175=51, 177/641=48...(16) H VAL 45 + H PHE 48 OK 59 68 100 86 4.5-5.0 3.0/4451=29, 918=22...(13) 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 2 assignments used, quality = 0.99: * H GLU 50 + H ASN 49 OK 99 100 100 99 2.7-2.9 181=88, 183/2167=36...(11) H ASN 42 - H ASN 49 far 0 98 0 - 10.0-10.9 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 4 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...(16) H ARG 54 - H GLU 50 far 0 100 0 - 6.0-6.7 HD21 ASN 80 - H GLU 50 far 0 93 0 - 7.9-28.5 H LEU 43 - H GLU 50 far 0 97 0 - 9.1-10.5 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 2.5-2.9 193=52, 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 2.4-2.8 200=100, 203/667=44...(14) H ILE 40 - H LEU 52 far 0 76 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 926 from nnoeabs.peaks (7.53, 7.22, 117.09 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 54 + H ALA 53 OK 99 100 100 99 2.3-2.6 207=83, 209/673=43...(17) H LEU 51 + H ALA 53 OK 92 100 100 92 3.9-4.4 924/200=39, 3.6/4549=31...(14) HD21 ASN 80 - H ALA 53 far 0 92 0 - 9.2-31.4 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 1.9-2.7 210=100, 4973/207=30...(13) 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 4.3-4.6 4.6=93, 228/691=64...(8) Violated in 6 structures by 0.02 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 2.6-2.9 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 2 assignments used, quality = 0.98: * H GLN 61 + H SER 60 OK 98 100 100 98 2.3-2.7 242=92, 4644/4.7=36...(5) H MET 31 - H SER 60 far 0 71 0 - 9.7-12.4 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 2.3-2.7 246=98, 248/711=41...(17) 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 2.6-2.9 254=98, 3907/2571=44...(15) 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 = 0.98: * H LEU 64 + H ALA 63 OK 98 100 100 98 2.4-3.1 261=79, 263/726=54...(12) 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 2.3-2.9 264=100, 3915/2619=39...(17) 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 2.4-3.2 271=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 2.3-2.8 276=86, 280/743=33...(19) H ARG 70 - H ARG 66 far 0 78 0 - 5.8-7.2 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 = 0.99: * H ILE 68 + H ASP 67 OK 99 100 100 99 2.5-2.8 284=62, 286/749=50...(18) 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 5 assignments used, quality = 1.00: * H ARG 69 + H ILE 68 OK 100 100 100 100 2.5-2.9 288=94, 4.4/2749=32...(17) H GLY 72 - H ILE 68 poor 18 99 25 74 4.1-6.3 5845/3.0=31, 5056/4.0=18...(9) H LYS 73 - H ILE 68 far 0 93 0 - 5.8-8.3 H ALA 63 - H ILE 68 far 0 100 0 - 7.8-8.4 H VAL 76 - H ILE 68 far 0 76 0 - 9.6-17.6 Violated in 0 structures by 0.00 A. Peak 940 from nnoeabs.peaks (7.95, 7.98, 119.32 ppm; 2.71 A): 2 out of 4 assignments used, quality = 0.89: * H ARG 70 + H ARG 69 OK 84 100 100 84 2.4-2.9 297/760=22, 4.6=20...(18) H ASP 67 + H ARG 69 OK 32 78 70 59 3.8-4.8 938/288=21, 3.0/5819=13...(11) H VAL 76 - H ARG 69 far 0 99 0 - 7.5-15.6 H ALA 63 - H ARG 69 far 0 71 0 - 9.3-10.5 Violated in 5 structures by 0.02 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...(18) H ARG 69 + H ARG 71 OK 90 99 100 92 3.7-4.6 5825=47, 940/5390=40...(14) H LYS 73 + H ARG 71 OK 82 99 100 82 3.6-4.7 5987/3.6=38, 4.5/5397=33...(17) 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 4.5=81, 4.3/788=59...(10) H ALA 78 - H LYS 73 far 0 100 0 - 6.9-15.2 Violated in 3 structures by 0.02 A. Peak 4064 from nnoeabs.peaks (3.96, 7.46, 111.22 ppm; 4.88 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.4-5.6 2529/3.5=79, 5.7=62...(13) HA LYS 32 + HE21 GLN 61 OK 56 96 70 84 4.9-8.1 3.0/6065=37, 4072/1.7=32...(9) HA ALA 28 + HE21 GLN 61 OK 37 99 50 74 5.8-8.5 5529/5910=38...(6) HA THR 37 - HE21 GLN 61 far 0 60 0 - 9.5-12.4 Violated in 1 structures by 0.00 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 1.9-4.7 4.6=100 HG3 MET 31 + HE21 GLN 61 OK 55 100 55 99 4.5-8.1 3.0/5910=70, ~5911=53...(15) 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 2.1-4.1 3.5=100 HG2 MET 31 - HE21 GLN 61 poor 15 73 20 - 4.7-8.1 Violated in 0 structures by 0.00 A. Peak 4068 from nnoeabs.peaks (2.16, 7.46, 111.22 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.2-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 4069 from nnoeabs.peaks (7.46, 7.46, 111.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE21 GLN 61 OK 100 100 - 100 Peak 4070 from nnoeabs.peaks (6.83, 7.46, 111.22 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 61 + HE21 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 QE TYR 55 - HE21 GLN 61 far 0 90 0 - 7.7-10.0 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 3 assignments used, quality = 1.00: * HA GLN 61 + HE22 GLN 61 OK 100 100 100 100 4.0-5.6 2529/3.5=82, 5.7=68...(13) HA LYS 32 + HE22 GLN 61 OK 72 96 95 80 4.4-7.2 ~6065=29, 4064/1.7=25...(9) HA ALA 28 - HE22 GLN 61 far 10 99 10 - 6.2-7.9 Violated in 6 structures by 0.01 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 2.5-4.8 4.6=100 HG3 MET 31 - HE22 GLN 61 poor 20 100 20 - 5.6-8.7 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 7 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-4.1 4.6=100 HD3 LYS 13 - HE22 GLN 61 far 0 99 0 - 9.0-25.1 HB3 LYS 13 - HE22 GLN 61 far 0 78 0 - 9.0-26.8 HG2 ARG 27 - HE22 GLN 61 far 0 63 0 - 9.3-13.6 HG3 ARG 27 - HE22 GLN 61 far 0 65 0 - 9.3-13.9 HG LEU 29 - HE22 GLN 61 far 0 92 0 - 9.6-12.2 HD2 LYS 13 - HE22 GLN 61 far 0 99 0 - 9.9-25.4 Violated in 0 structures by 0.00 A. Peak 4075 from nnoeabs.peaks (2.60, 6.83, 111.22 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.3-4.1 3.5=100 HG2 MET 31 - HE22 GLN 61 far 4 73 5 - 5.5-8.3 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 3 structures by 0.03 A. Peak 4077 from nnoeabs.peaks (7.46, 6.83, 111.22 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 4078 from nnoeabs.peaks (6.83, 6.83, 111.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HE22 GLN 61 OK 100 100 - 100 Peak 4152 from nnoeabs.peaks (2.06, 8.21, 115.99 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 25 + H SER 22 OK 92 97 100 95 2.0-5.2 4153/2.9=37, 4155/3.9=33...(14) HB3 GLU 25 + H SER 22 OK 82 97 90 93 2.0-6.6 3.0/1346=32, ~4153=29...(14) HB3 GLU 19 - H SER 22 poor 17 68 25 - 4.6-10.9 Violated in 2 structures by 0.03 A. Peak 4156 from nnoeabs.peaks (4.01, 8.34, 120.23 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.97: HB2 SER 22 + H ASP 24 OK 97 100 100 97 2.3-5.5 1.8/5320=63, 5319=52...(7) Violated in 2 structures by 0.05 A. Peak 4169 from nnoeabs.peaks (4.49, 8.13, 119.29 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.95: HA ASP 24 + H ARG 26 OK 95 100 100 95 4.1-5.3 3.6/904=72, 5383/5380=71...(9) HA ASP 67 - H ASN 74 far 0 54 0 - 6.8-11.2 HA ASP 24 - H ASN 74 far 0 58 0 - 8.5-16.6 HA TYR 81 - H ASN 74 far 0 31 0 - 9.3-16.7 Violated in 11 structures by 0.12 A. Peak 4171 from nnoeabs.peaks (0.83, 8.21, 122.47 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.99: QD2 LEU 64 + H ALA 28 OK 95 96 100 99 3.0-5.1 5162/2.9=64, 5015=51...(19) QD2 LEU 29 + H ALA 28 OK 86 96 95 94 3.4-6.3 4839/2.9=51, 4.8/76=45...(15) QG2 ILE 68 - H ALA 28 poor 15 73 20 - 5.1-7.5 QD2 LEU 86 - H ALA 28 far 5 100 5 - 4.2-39.5 QD2 LEU 86 - H ARG 84 far 4 86 5 - 5.1-9.9 QD1 ILE 89 - H ALA 28 far 0 78 0 - 5.8-44.7 QG2 ILE 89 - H ALA 28 far 0 98 0 - 7.2-45.2 QD1 ILE 89 - H ARG 84 far 0 61 0 - 8.0-16.7 Violated in 1 structures by 0.02 A. Peak 4184 from nnoeabs.peaks (4.09, 7.95, 119.22 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.96: HA ARG 26 + H LEU 29 OK 76 83 100 92 3.1-4.0 5348/546=50, 5394/547=39...(12) HA GLU 25 + H LEU 29 OK 60 100 95 63 3.8-5.6 4181/78=41, 5347/76=21...(5) HA ARG 27 + H LEU 29 OK 59 65 100 91 3.8-5.2 3.6/76=52, 5.0/78=34...(14) 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 4 assignments used, quality = 1.00: QD2 LEU 64 + H MET 31 OK 100 100 100 100 3.3-4.5 6121/556=76...(17) QD2 LEU 29 + H MET 31 OK 98 100 100 99 4.6-5.7 1482/5526=62, 3768/86=60...(11) QG2 ILE 89 - H MET 31 far 5 99 5 - 4.9-47.5 QD2 LEU 86 - H MET 31 far 0 92 0 - 6.3-42.0 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 7 assignments used, quality = 1.00: HA ALA 28 + H MET 31 OK 99 100 100 99 3.4-4.0 4182=60, 3.6/5525=43...(17) HA LYS 32 + H MET 31 OK 80 83 100 97 4.3-4.9 3.0/89=71, 3.6/5544=42...(11) HA GLN 61 - H MET 31 far 0 99 0 - 5.7-7.9 HA3 GLY 18 - H MET 31 far 0 63 0 - 8.6-18.5 HA THR 37 - H MET 31 far 0 81 0 - 9.8-11.4 HA3 GLY 21 - H MET 31 far 0 99 0 - 9.8-16.2 HA2 GLY 18 - H MET 31 far 0 60 0 - 9.8-19.1 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 5 assignments used, quality = 0.92: HB3 ARG 26 + H ALA 30 OK 76 99 100 77 4.4-6.0 3.0/5387=38, 5537/553=18...(10) HB2 ARG 26 + H ALA 30 OK 66 99 95 70 4.7-6.4 3.0/5387=38, 5537/553=18...(8) HB3 PRO 14 - H ALA 30 far 5 100 5 - 5.0-22.7 HB2 GLU 19 - H ALA 30 far 4 76 5 - 6.2-18.3 HB2 MET 11 - H ALA 30 far 0 100 0 - 6.4-32.5 Violated in 1 structures by 0.03 A. Peak 4205 from nnoeabs.peaks (4.15, 7.94, 118.73 ppm; 3.95 A): 2 out of 6 assignments used, quality = 0.97: HA LEU 29 + H LYS 32 OK 84 95 100 89 2.9-4.1 5526/89=38, 1476=35...(9) HA ALA 30 + H LYS 32 OK 82 96 100 86 3.4-4.4 3.6/89=56, 2.1/5541=28...(10) HB THR 15 - H LYS 32 far 4 83 5 - 4.5-24.5 HA ILE 89 - H LYS 32 far 0 78 0 - 5.5-54.6 HA GLN 91 - H LYS 32 far 0 93 0 - 7.7-60.1 HB THR 88 - H LYS 32 far 0 63 0 - 9.5-53.8 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 = 0.97: QG2 ILE 33 + H PHE 35 OK 97 100 100 97 1.8-2.2 4209=69, 4215/110=26...(18) Violated in 0 structures by 0.00 A. Peak 4249 from nnoeabs.peaks (1.21, 6.31, 116.43 ppm; 4.77 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + H PHE 35 OK 97 100 100 97 4.5-6.1 4727/4248=82...(11) HG13 ILE 33 + H PHE 35 OK 93 99 95 99 4.9-6.3 3.2/4248=89, 2.1/5351=63...(9) HG13 ILE 40 + H PHE 35 OK 28 83 45 74 5.6-7.7 4320/582=43, 2.1/109=37...(5) QG1 VAL 65 - H PHE 35 poor 16 81 20 - 5.0-8.6 QG2 THR 15 - H PHE 35 far 0 83 0 - 6.7-21.7 HG LEU 52 - H PHE 35 far 0 90 0 - 7.2-11.4 Violated in 4 structures by 0.02 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 4.7-5.1 4252/3.0=85, 4.8=78...(11) HA ILE 33 + H PHE 35 OK 88 89 100 100 3.4-4.4 3.2/4248=82, 3.8/110=54...(14) HA LEU 51 - H PHE 35 far 0 81 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. Peak 4290 from nnoeabs.peaks (4.60, 8.70, 119.49 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: HA PRO 36 + H ASP 38 OK 99 100 100 99 4.0-4.8 112/119=75, 2.3/4291=75...(7) Violated in 3 structures by 0.04 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 4.0-4.5 2.3/4290=66, 1.8/6126=63...(7) Violated in 12 structures by 0.06 A. Peak 4292 from nnoeabs.peaks (2.12, 8.70, 119.49 ppm; 3.65 A): 4 out of 4 assignments used, quality = 1.00: HB2 PRO 36 + H ASP 38 OK 97 98 100 99 2.3-2.8 1.8/4291=58, 2.3/4290=49...(13) HG2 PRO 36 + H ASP 38 OK 73 78 100 93 3.4-4.8 2.3/4291=53, 2.3/6126=42...(10) HG3 PRO 36 + H ASP 38 OK 46 83 60 93 3.8-5.4 2.3/4291=53, 2.3/6126=42...(10) HB ILE 40 + H ASP 38 OK 39 99 45 88 4.8-5.7 4309/3.6=42, 2.9/5599=32...(9) Violated in 0 structures by 0.00 A. Peak 4294 from nnoeabs.peaks (2.11, 7.39, 117.25 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: HB2 PRO 36 + H LYS 39 OK 92 95 100 98 2.7-3.7 1.8/4881=40, 4867=38...(16) HG3 PRO 36 + H LYS 39 OK 84 90 100 92 2.3-5.0 2.3/4881=39, 2.3/4867=38...(16) HB ILE 40 + H LYS 39 OK 81 96 100 85 4.4-5.2 3.9/914=48, 4309/5605=31...(9) HG2 PRO 36 + H LYS 39 OK 81 87 100 93 2.3-4.0 2.3/4881=39, 2.3/4867=38...(16) Violated in 0 structures by 0.00 A. Peak 4295 from nnoeabs.peaks (0.81, 7.24, 115.36 ppm; 4.38 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + H ILE 40 OK 98 100 100 98 3.9-5.5 5249/607=66, 4753/3.9=54...(13) QD1 LEU 43 + H ILE 40 OK 86 87 100 99 3.7-5.5 5357/3.6=50, 5111/129=46...(16) QG1 VAL 41 + H ILE 40 OK 36 90 40 99 5.6-6.2 2.1/4330=64, 4.0/915=63...(11) Violated in 1 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 2.7-3.8 4266=87, 4313/607=55...(16) HA2 GLY 72 - H ILE 40 far 0 73 0 - 7.0-10.3 HA2 GLY 18 - H ILE 40 far 0 97 0 - 7.8-24.4 HA3 GLY 18 - H ILE 40 far 0 97 0 - 8.8-24.3 HA ALA 28 - H ILE 40 far 0 85 0 - 9.7-10.8 HA VAL 76 - H ILE 40 far 0 60 0 - 9.7-19.5 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 LYS 39 + H VAL 41 OK 91 93 100 98 4.0-5.2 3.6/915=67, 3.0/5632=49...(10) HA ASP 38 + H VAL 41 OK 91 92 100 99 3.1-4.2 4337/4.0=53, 5355/3.9=52...(13) HA ALA 20 - H VAL 41 far 0 100 0 - 8.0-19.5 HA THR 15 - H VAL 41 far 0 87 0 - 9.2-27.4 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 6 assignments used, quality = 0.99: HA LYS 39 + H ASN 42 OK 97 100 100 97 3.1-4.8 5790=66, 4371/149=54...(10) HA ASP 38 + H ASN 42 OK 58 63 100 93 2.2-4.7 4337/4.1=47, 4334/147=43...(9) HB THR 37 - H ASN 42 far 0 63 0 - 6.6-8.5 HA ALA 77 - H ASN 42 far 0 87 0 - 8.3-21.9 HA THR 15 - H ASN 42 far 0 100 0 - 8.7-29.5 HA ALA 20 - H ASN 42 far 0 97 0 - 9.1-20.7 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 5 assignments used, quality = 1.00: HA ASP 38 + HD21 ASN 42 OK 99 100 100 100 2.4-4.2 4357/1.7=52...(15) HA LYS 39 + HD21 ASN 42 OK 57 71 95 84 4.0-6.2 5790/5089=30, 6082=27...(9) HA ALA 20 - HD21 ASN 42 far 0 93 0 - 8.5-19.7 HA THR 15 - HD21 ASN 42 far 0 60 0 - 9.0-29.6 HA GLU 19 - HD21 ASN 42 far 0 87 0 - 9.6-23.4 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 = 0.99: HA ASP 38 + HD22 ASN 42 OK 98 99 100 99 3.2-4.4 4356/1.7=49, 4887=45...(14) HA LYS 39 + HD22 ASN 42 OK 49 81 75 81 4.4-7.3 5790/5088=33...(9) HA ALA 20 - HD22 ASN 42 far 0 97 0 - 8.2-19.1 HA GLU 19 - HD22 ASN 42 far 0 93 0 - 8.7-23.0 HA THR 15 - HD22 ASN 42 far 0 71 0 - 9.0-29.7 HA LYS 75 - HD22 ASN 42 far 0 65 0 - 9.1-16.0 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 = 0.97: HB2 ASP 38 + HD21 ASN 42 OK 86 100 90 95 3.2-6.1 3.0/4356=37, 4359/1.7=35...(11) HB3 ASP 38 + HD21 ASN 42 OK 81 100 85 95 3.5-6.1 3.0/4356=37, 4359/1.7=35...(11) Violated in 8 structures by 0.10 A. Peak 4359 from nnoeabs.peaks (2.63, 6.94, 113.85 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.97: HB3 ASP 38 + HD22 ASN 42 OK 84 95 95 93 3.2-6.2 3.0/4357=41, 4358/1.7=36...(9) HB2 ASP 38 + HD22 ASN 42 OK 83 93 95 93 2.6-5.9 3.0/4357=41, 4358/1.7=38...(9) Violated in 2 structures by 0.03 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 3.9-4.8 2.1/4364=78, 2.1/4906=74...(14) QD2 LEU 43 - HD21 ASN 42 poor 20 100 20 - 5.8-8.3 QG1 VAL 76 - HD21 ASN 42 poor 15 76 20 - 3.2-14.9 QG2 ILE 40 - HD21 ASN 42 far 14 93 15 - 5.9-8.2 QG2 VAL 76 - HD21 ASN 42 lone 1 76 30 3 3.1-17.1 1978/4364=1 HG12 ILE 68 - HD21 ASN 42 far 0 76 0 - 9.9-12.3 Violated in 3 structures by 0.02 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 3.2-4.7 4367/1.7=82, 2.1/4363=71...(14) QG2 ILE 68 - HD21 ASN 42 far 5 100 5 - 5.9-8.0 QD1 LEU 43 - HD21 ASN 42 far 0 78 0 - 6.2-8.2 QD1 ILE 68 - HD21 ASN 42 far 0 65 0 - 8.0-10.5 Violated in 2 structures by 0.01 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 2.4-3.7 2.1/4367=85, 2.1/4366=75...(15) HB3 PRO 14 - HD22 ASN 42 far 0 71 0 - 6.5-32.3 HB2 GLU 19 - HD22 ASN 42 far 0 100 0 - 6.8-23.3 HG12 ILE 40 - HD22 ASN 42 far 0 99 0 - 7.2-9.1 HB ILE 68 - HD22 ASN 42 far 0 92 0 - 9.0-11.4 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 3.8-4.9 2.1/4367=85, 2.1/4365=74...(13) QG2 ILE 40 - HD22 ASN 42 far 5 96 5 - 5.8-8.3 QG2 VAL 76 - HD22 ASN 42 lone 1 100 30 3 3.8-18.0 1978/4367=1 QG1 VAL 76 - HD22 ASN 42 lone 0 100 25 2 2.8-15.8 QD2 LEU 43 - HD22 ASN 42 far 0 65 0 - 6.5-8.6 HG12 ILE 68 - HD22 ASN 42 far 0 100 0 - 9.6-13.1 Violated in 17 structures by 0.10 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 3.3-4.5 4364/1.7=72, 2.1/4366=61...(14) QG2 ILE 68 - HD22 ASN 42 far 0 100 0 - 5.9-8.4 QD1 LEU 43 - HD22 ASN 42 far 0 89 0 - 6.5-8.2 Violated in 8 structures by 0.04 A. Peak 4371 from nnoeabs.peaks (4.24, 7.52, 120.92 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.93: HA LYS 39 + H LEU 43 OK 93 97 100 96 2.6-4.7 6081=60, 5357/624=47...(8) HB THR 37 - H LEU 43 far 0 89 0 - 8.4-10.5 HA THR 15 - H LEU 43 far 0 99 0 - 9.5-31.1 Violated in 6 structures by 0.13 A. Peak 4372 from nnoeabs.peaks (3.64, 7.52, 120.92 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.98: HA ILE 40 + H LEU 43 OK 98 100 100 98 3.5-5.3 5610=58, 3.6/5631=56...(9) HA ARG 69 - H LEU 43 far 0 99 0 - 6.1-8.9 HD3 PRO 14 - H LEU 43 far 0 85 0 - 7.6-33.3 Violated in 12 structures by 0.21 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 3.5-4.9 2.3/6064=82, 3.0/4431=82...(13) HA PHE 48 + H ASP 47 OK 96 96 100 100 5.0-5.4 3.0/171=87, 3.0/4428=58...(12) 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 4.2-5.2 3.5/919=72, 3.2/4424=51...(16) HD3 PRO 44 + H ASP 47 OK 96 96 100 100 3.2-4.9 3.0/4431=76, 2.3/6064=76...(16) Violated in 0 structures by 0.00 A. Peak 4428 from nnoeabs.peaks (3.12, 7.27, 119.22 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: HB2 PHE 48 + H ASP 47 OK 99 99 100 100 4.3-5.0 641/171=85, 177/4491=64...(14) Violated in 1 structures by 0.00 A. Peak 4429 from nnoeabs.peaks (2.88, 7.27, 119.22 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 48 + H ASP 47 OK 99 100 100 99 4.3-5.4 2149/171=70, 1.8/4428=67...(13) HB2 ASN 49 + H ASP 47 OK 69 81 90 95 4.9-6.4 4.0/4491=51, 4488/3.6=49...(8) Violated in 18 structures by 0.10 A. Peak 4431 from nnoeabs.peaks (2.09, 7.27, 119.22 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.98: HB3 PRO 44 + H ASP 47 OK 98 100 100 98 3.0-3.6 2.3/6064=52, 4393=52...(17) HB VAL 45 - H ASP 47 far 0 76 0 - 5.6-6.2 Violated in 1 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 = 0.97: QG1 VAL 45 + H ASP 47 OK 87 87 100 100 4.4-4.7 3837/919=64, 4424=56...(15) QD2 LEU 43 + H ASP 47 OK 76 76 100 100 4.2-5.4 2.1/4933=56, 3.1/4456=51...(15) Violated in 2 structures by 0.01 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 3.9-4.9 4491=84, 4489/3.6=61...(15) H VAL 45 + H ASP 47 OK 93 93 100 100 4.1-4.9 4.2/4431=60, 4.6/919=56...(12) Violated in 0 structures by 0.00 A. Peak 4451 from nnoeabs.peaks (3.69, 8.77, 123.38 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 45 + H PHE 48 OK 99 100 100 99 3.4-4.3 4407/641=52, 3834=50...(16) HD3 PRO 44 + H PHE 48 OK 62 73 85 99 3.3-5.8 4.8/4459=36, 1.8/640=35...(15) Violated in 0 structures by 0.00 A. Peak 4452 from nnoeabs.peaks (7.72, 8.77, 123.38 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: H GLU 50 + H PHE 48 OK 100 100 100 100 3.7-4.6 4506/3.6=70, 922/4.6=62...(10) H ASN 42 - H PHE 48 far 0 100 0 - 8.0-9.2 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 4.1-5.2 4459/171=65, 4380/638=64...(15) Violated in 4 structures by 0.06 A. Peak 4457 from nnoeabs.peaks (2.06, 8.77, 123.38 ppm; 4.73 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 44 + H PHE 48 OK 96 97 100 99 3.2-4.0 5134/174=48, 4394/171=45...(16) HB2 GLU 50 + H PHE 48 OK 80 89 95 95 4.6-7.4 3.9/4452=55, 4.7/5678=43...(9) HB VAL 45 + H PHE 48 OK 65 99 75 88 5.7-6.3 3.0/4451=47, 2.1/3836=42...(9) HD2 ARG 69 - H PHE 48 poor 20 65 30 - 5.0-9.8 HD3 ARG 69 - H PHE 48 poor 13 65 20 - 5.7-9.2 HB3 GLU 50 - H PHE 48 far 4 89 5 - 5.8-7.0 HB VAL 76 - H PHE 48 far 0 95 0 - 9.8-19.6 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 3.3-5.2 4368=89, 1.8/4459=86...(19) Violated in 4 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 2.4-3.7 1.8/4458=69, 3.1/4460=59...(21) HB3 LEU 52 - H PHE 48 far 0 60 0 - 7.7-8.7 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 3.0-5.3 2.1/4461=73, 3.1/4459=62...(21) QG2 ILE 40 - H PHE 48 far 5 95 5 - 5.8-7.1 QG1 VAL 76 - H PHE 48 far 0 78 0 - 7.0-16.3 QG2 VAL 76 - H PHE 48 far 0 78 0 - 8.1-17.9 QG2 VAL 41 - H PHE 48 far 0 99 0 - 8.3-9.5 QD2 LEU 62 - H PHE 48 far 0 95 0 - 8.8-10.8 Violated in 10 structures by 0.18 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 3.6-5.0 2.1/4460=75, 4468/3.0=69...(22) Violated in 3 structures by 0.04 A. Peak 4480 from nnoeabs.peaks (2.05, 8.65, 117.58 ppm; 4.39 A): 3 out of 7 assignments used, quality = 0.93: HB2 GLU 50 + H ASN 49 OK 85 99 95 90 4.7-6.2 3.9/922=66, 4.7/4490=40...(6) HB VAL 45 + H ASN 49 OK 33 87 40 96 5.7-6.1 3.0/4487=64, 2.1/4482=62...(6) HG2 PRO 44 + H ASN 49 OK 30 100 45 66 5.6-6.3 4394/4491=34...(7) HD2 ARG 69 - H ASN 49 poor 18 89 20 - 5.2-9.6 HD3 ARG 69 - H ASN 49 far 13 89 15 - 5.2-9.5 HB3 GLU 50 - H ASN 49 far 5 99 5 - 4.7-6.4 HB VAL 76 - H ASN 49 far 0 100 0 - 8.9-18.7 Violated in 18 structures by 0.12 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 3.9-4.5 2.1/4482=86, 3.2/4487=83...(15) 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 4.2-4.7 3.2/4487=74...(15) QD1 LEU 57 - H ASN 49 far 0 100 0 - 7.7-8.7 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 3.2-3.7 4407/177=50, 3.2/4482=50...(12) 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 = 0.99: HA ASP 46 + H ASN 49 OK 99 100 100 99 3.9-4.5 5360/648=47...(10) Violated in 18 structures by 0.22 A. Peak 4490 from nnoeabs.peaks (7.54, 8.65, 117.58 ppm; 4.86 A): 1 out of 4 assignments used, quality = 0.97: H LEU 51 + H ASN 49 OK 97 97 100 100 3.8-4.4 4947=91, 187/922=85...(7) HD21 ASN 80 - H ASN 49 far 0 100 0 - 6.6-26.3 H ARG 54 - H ASN 49 far 0 97 0 - 8.0-8.5 H LEU 43 - H ASN 49 far 0 81 0 - 8.0-8.9 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 3 assignments used, quality = 0.99: H ASP 47 + H ASN 49 OK 99 99 100 100 3.9-4.9 3.6/4489=68, 3.0/5659=60...(15) HE ARG 54 - H ASN 49 far 0 100 0 - 7.6-12.3 H ILE 40 - H ASN 49 far 0 85 0 - 9.2-11.1 Violated in 2 structures by 0.02 A. Peak 4496 from nnoeabs.peaks (4.48, 6.86, 112.13 ppm; 4.58 A): 1 out of 7 assignments used, quality = 0.98: HA ASP 46 + HD21 ASN 49 OK 98 99 100 100 2.2-5.8 5359/1.7=77, 5360/3.5=63...(8) HA TYR 81 - HE22 GLN 79 far 0 69 0 - 6.2-11.3 HA ASP 67 - HE22 GLN 79 far 0 97 0 - 6.2-21.8 HA TYR 81 - HD21 ASN 49 far 0 71 0 - 9.3-33.3 HA ASP 46 - HE22 GLN 79 far 0 97 0 - 9.4-32.3 HA ASP 24 - HE22 GLN 79 far 0 99 0 - 9.7-27.3 HA ASP 67 - HD21 ASN 49 far 0 99 0 - 9.8-18.0 Violated in 11 structures by 0.32 A. Peak 4497 from nnoeabs.peaks (1.06, 6.86, 112.13 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 45 + HD21 ASN 49 OK 97 97 100 100 1.9-5.7 4422=93, 4420/1.7=82...(11) QG2 VAL 45 - HE22 GLN 79 far 5 96 5 - 3.9-22.2 Violated in 9 structures by 0.59 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 2.8-4.5 4425=99, 4423/1.7=80...(12) QG1 VAL 45 - HE22 GLN 79 far 5 99 5 - 5.3-24.6 QD1 LEU 57 - HD21 ASN 49 far 0 93 0 - 8.4-10.8 Violated in 7 structures by 0.10 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 3.0-4.3 4420=98, 4422/1.7=76...(13) Violated in 9 structures by 0.12 A. Peak 4500 from nnoeabs.peaks (0.99, 7.83, 112.13 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 45 + HD22 ASN 49 OK 100 100 100 100 2.7-4.2 4423=97, 4425/1.7=77...(14) QD1 LEU 57 - HD22 ASN 49 far 0 99 0 - 7.8-10.4 Violated in 3 structures by 0.02 A. Peak 4501 from nnoeabs.peaks (1.36, 7.73, 120.91 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.61: QB ALA 53 + H GLU 50 OK 61 63 100 97 4.5-5.5 4962/3.0=57, ~4549=44...(8) HB2 LEU 52 - H GLU 50 far 0 60 0 - 6.8-7.5 HG3 ARG 69 - H GLU 50 far 0 96 0 - 8.9-11.7 HB3 ARG 69 - H GLU 50 far 0 57 0 - 9.6-12.8 Violated in 17 structures by 0.31 A. Peak 4506 from nnoeabs.peaks (4.39, 7.73, 120.91 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + H GLU 50 OK 99 100 100 99 3.4-3.9 4454=59, 3.0/6130=42...(11) Violated in 0 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 = 0.98: HA ASP 46 + H GLU 50 OK 98 100 100 99 4.0-4.9 4489/922=68, 4488/183=60...(7) Violated in 8 structures by 0.07 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 4.8-5.3 2.9/4501=73, 4549/3.0=71...(12) H ASP 47 + H GLU 50 OK 68 68 100 100 4.5-5.1 3.0/4506=87, 3.6/4507=70...(11) HE ARG 54 - H GLU 50 far 11 76 15 - 5.2-9.9 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 4523/660=60, 4453=54...(11) HA ARG 54 - H LEU 51 far 0 87 0 - 6.8-7.4 HD2 PRO 44 - H LEU 51 far 0 96 0 - 7.1-9.4 Violated in 0 structures by 0.00 A. Peak 4526 from nnoeabs.peaks (4.38, 7.53, 121.73 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + H LEU 51 OK 99 100 100 99 3.9-4.6 4506/923=77, 3.6/5678=55...(8) Violated in 0 structures by 0.00 A. Peak 4542 from nnoeabs.peaks (4.14, 7.43, 115.28 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 49 + H LEU 52 OK 99 99 100 100 3.5-4.0 4494=77, 4483/667=55...(8) HA ALA 53 + H LEU 52 OK 79 85 100 93 5.0-5.4 3.0/200=71, 5702=30...(7) Violated in 0 structures by 0.00 A. Peak 4549 from nnoeabs.peaks (3.97, 7.22, 117.09 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.94: HA GLU 50 + H ALA 53 OK 94 97 100 98 3.0-3.7 4962/673=68, 4509=59...(10) HA ARG 66 - H ALA 53 far 0 100 0 - 9.9-11.9 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 = 0.98: H GLU 50 + H ALA 53 OK 87 87 100 100 4.8-5.3 3.0/4549=76, 4501/2.9=48...(12) H TYR 55 + H ALA 53 OK 85 85 100 100 3.9-4.4 4973=85, 210/207=70...(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 97 100 100 3.1-3.8 5219/676=56...(15) HA LEU 62 - H ARG 54 far 0 83 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 4580 from nnoeabs.peaks (3.70, 7.69, 117.85 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + H TYR 55 OK 99 100 100 99 4.5-5.1 4.8=59, 4.6/687=46...(10) HD2 PRO 56 + H TYR 55 OK 99 100 100 99 4.8-4.8 4.8=59, 4.6/687=46...(10) Violated in 20 structures by 0.28 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 3.1-4.0 5143=55, 3.6/4973=51...(10) Violated in 0 structures by 0.00 A. Peak 4582 from nnoeabs.peaks (4.16, 7.69, 117.85 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.98: HA ALA 53 + H TYR 55 OK 98 99 100 99 3.7-4.4 3.6/210=75, 2.1/5732=68...(6) HA ASN 49 - H TYR 55 far 0 89 0 - 8.2-8.8 Violated in 1 structures by 0.00 A. Peak 4597 from nnoeabs.peaks (0.91, 8.15, 124.80 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.29: QD2 LEU 62 + H LEU 57 OK 29 76 40 95 5.1-7.5 2.1/5747=73, 4599/691=54...(5) HG LEU 51 - H LEU 57 far 0 92 0 - 6.7-10.1 QG2 ILE 40 - H LEU 57 far 0 76 0 - 9.7-11.5 Violated in 20 structures by 1.81 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 3.0-3.8 4648=95, 711/4625=69...(16) H TYR 55 - H THR 58 far 0 97 0 - 8.4-9.6 H MET 31 - H THR 58 far 0 65 0 - 9.1-11.3 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 3.0-4.2 5368=94, 248/4625=67...(15) 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 2.0-4.1 1.8/4625=86, 4654=62...(13) Violated in 1 structures by 0.00 A. Peak 4625 from nnoeabs.peaks (2.53, 9.06, 113.20 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLN 61 + H THR 58 OK 99 99 100 100 1.9-3.4 1.8/4624=62, 4653=59...(16) HG3 MET 31 - H THR 58 far 0 98 0 - 6.1-10.4 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 3 assignments used, quality = 0.99: QD1 LEU 62 + H GLU 59 OK 99 99 100 100 3.5-5.2 5365/2.9=97, ~5364=67...(9) QD2 LEU 64 - H GLU 59 far 0 78 0 - 7.5-10.3 QD1 LEU 86 - H GLU 59 far 0 78 0 - 7.8-43.7 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 3.2-4.6 2.1/5091=100...(7) HG3 LYS 32 - H SER 60 far 0 97 0 - 8.4-13.2 HB2 LEU 52 - H SER 60 far 0 89 0 - 9.4-11.8 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 3.8-4.8 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 3.0-3.8 4620=77, 4625/711=59...(16) 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 2.0-4.4 4217/5763=62...(15) 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 3.0-5.1 5079/3.0=62, 5083=50...(22) HB2 LEU 64 + H GLN 61 OK 69 71 100 97 5.0-6.4 5232/3.0=41, ~4504=32...(14) HG2 ARG 66 - H GLN 61 far 0 93 0 - 8.0-10.0 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...(8) HB3 LEU 57 + H GLN 61 OK 81 83 100 98 4.3-5.1 4.2/4648=57, 4601/711=48...(11) HB3 LEU 52 - H GLN 61 far 0 92 0 - 9.9-11.9 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 2.3-4.6 4623=79, 2478/4648=64...(13) HG3 LYS 32 - H GLN 61 far 0 97 0 - 7.0-11.9 HB2 LEU 52 - H GLN 61 far 0 87 0 - 8.2-10.2 QB ALA 28 - H GLN 61 far 0 81 0 - 8.7-10.1 Violated in 1 structures by 0.00 A. Peak 4659 from nnoeabs.peaks (0.71, 7.68, 122.99 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 57 + H GLN 61 OK 95 100 95 100 4.5-6.1 4602/711=60, 4985/4.0=60...(18) QD1 ILE 33 + H GLN 61 OK 89 100 90 99 4.6-6.2 4224/714=57, 4503/3.0=44...(19) Violated in 13 structures by 0.22 A. Peak 4667 from nnoeabs.peaks (1.76, 7.46, 111.22 ppm; 4.25 A): 5 out of 8 assignments used, quality = 1.00: HG2 PRO 34 + HE21 GLN 61 OK 90 100 95 95 3.7-6.1 2.3/5764=45, ~4655=43...(12) HB2 LYS 32 + HE21 GLN 61 OK 68 97 80 89 2.9-6.5 6065=34, 1.8/6065=26...(15) HB ILE 33 + HE21 GLN 61 OK 64 99 65 99 4.7-7.4 3.0/5762=52, 2.1/5549=40...(16) HB2 LEU 57 + HE21 GLN 61 OK 47 100 50 94 3.9-7.3 4600/4.6=38, 3.1/4669=33...(13) HB3 LYS 32 + HE21 GLN 61 OK 34 97 40 87 4.1-7.9 1.8/6065=33, 6065=27...(14) HB2 PRO 34 - HE21 GLN 61 far 9 89 10 - 5.5-7.5 HB2 LEU 62 - HE21 GLN 61 far 0 90 0 - 6.8-8.9 HB2 LYS 13 - HE21 GLN 61 far 0 65 0 - 8.8-24.9 Violated in 3 structures by 0.03 A. Peak 4668 from nnoeabs.peaks (1.31, 7.46, 111.22 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.98: QG2 THR 58 + HE21 GLN 61 OK 94 99 95 100 3.3-6.7 5755=88, 5230/3.5=71...(8) HG3 LYS 32 + HE21 GLN 61 OK 42 78 60 90 4.4-8.2 2.9/6065=40, 2.9/6065=31...(11) HG2 LYS 32 + HE21 GLN 61 OK 37 76 55 90 3.3-8.6 2.9/6065=40, 2.9/6065=31...(11) HB2 LEU 52 - HE21 GLN 61 far 0 60 0 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 4669 from nnoeabs.peaks (0.71, 7.46, 111.22 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HE21 GLN 61 OK 99 100 100 100 1.8-4.3 4213/1.7=60, 4224/3.5=54...(20) QD2 LEU 57 + HE21 GLN 61 OK 99 100 100 99 2.1-4.6 4672/1.7=38, 4985/4.6=38...(20) Violated in 0 structures by 0.00 A. Peak 4670 from nnoeabs.peaks (1.76, 6.83, 111.22 ppm; 4.15 A): 5 out of 8 assignments used, quality = 0.99: HG2 PRO 34 + HE22 GLN 61 OK 86 100 90 96 3.7-5.9 2.3/4655=56, ~5764=34...(15) HB2 LYS 32 + HE22 GLN 61 OK 73 90 95 85 2.7-6.0 6065/1.7=29, 3.0/4072=19...(16) HB3 LYS 32 + HE22 GLN 61 OK 53 90 70 83 3.9-6.8 ~6065=25, 6065/1.7=22...(14) HB ILE 33 + HE22 GLN 61 OK 29 97 30 99 4.7-6.7 3.0/5763=52, 3.2/4213=48...(16) HB2 PRO 34 + HE22 GLN 61 OK 25 78 35 90 4.2-7.9 3.0/4655=50, ~5764=30...(13) HB2 LEU 57 - HE22 GLN 61 poor 20 98 20 - 4.4-7.7 HB2 LEU 62 - HE22 GLN 61 far 0 97 0 - 6.8-9.7 HB3 ARG 17 - HE22 GLN 61 far 0 93 0 - 9.7-25.9 Violated in 0 structures by 0.00 A. Peak 4671 from nnoeabs.peaks (1.31, 6.83, 111.22 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.98: QG2 THR 58 + HE22 GLN 61 OK 94 100 95 99 3.8-6.6 5755/1.7=72, 5230/3.5=68...(8) HG3 LYS 32 + HE22 GLN 61 OK 46 90 60 86 4.4-7.7 ~6065=29, 3.9/4072=24...(11) HG2 LYS 32 + HE22 GLN 61 OK 33 60 65 86 2.8-7.7 ~6065=29, 3.9/4072=24...(11) QB ALA 28 - HE22 GLN 61 far 7 68 10 - 6.2-7.9 HB2 LEU 52 - HE22 GLN 61 far 0 76 0 - 7.7-11.0 Violated in 0 structures by 0.00 A. Peak 4672 from nnoeabs.peaks (0.72, 6.83, 111.22 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + HE22 GLN 61 OK 98 99 100 99 1.9-4.1 4985/4.6=37, 4669/1.7=37...(25) QD1 ILE 33 + HE22 GLN 61 OK 96 97 100 99 2.4-4.2 4213=58, 4224/3.5=52...(21) 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 3.9-5.6 4985/249=57, 4602/248=57...(20) QD1 ILE 33 + H LEU 62 OK 86 100 90 96 4.6-6.6 4503/3.6=38, 4225/248=31...(12) Violated in 8 structures by 0.07 A. Peak 4676 from nnoeabs.peaks (4.06, 8.82, 120.20 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 63 + H LEU 62 OK 97 100 100 97 5.2-5.5 3.0/933=70, 2.1/5787=49...(7) HA GLU 59 + H LEU 62 OK 92 93 100 99 3.3-3.9 4645=69, 4637/2571=52...(8) 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 4 assignments used, quality = 1.00: HB2 LEU 64 + H ALA 63 OK 99 100 100 99 4.2-5.0 2619/934=75, 5016=52...(14) QE MET 31 + H ALA 63 OK 76 89 100 86 4.0-5.9 5082/934=56...(9) HG LEU 57 - H ALA 63 far 0 87 0 - 8.4-9.4 HB3 ARG 70 - H ALA 63 far 0 87 0 - 10.0-13.7 Violated in 1 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 = 0.98: HA GLN 61 + H LEU 64 OK 98 100 100 99 3.1-3.8 4941=51, 3.6/5776=46...(15) HA ARG 66 - H LEU 64 far 0 92 0 - 6.7-7.4 HA ALA 28 - H LEU 64 far 0 100 0 - 6.9-8.5 HA THR 37 - H LEU 64 far 0 68 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 4690 from nnoeabs.peaks (4.27, 7.98, 119.93 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.98: HA SER 60 + H ALA 63 OK 96 98 100 98 3.6-4.0 4647=74, 4995/726=67...(9) HA LEU 64 + H ALA 63 OK 43 98 45 97 5.0-5.6 3.0/934=67, 4.9/726=41...(10) Violated in 14 structures by 0.04 A. Peak 4697 from nnoeabs.peaks (1.22, 7.42, 119.17 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 65 + H LEU 64 OK 99 99 100 100 3.6-5.4 2669/264=78, 2.1/4698=58...(13) QG1 VAL 65 + H LEU 64 OK 83 93 90 99 4.5-6.0 2664/264=68, 2.1/4698=58...(14) HG13 ILE 33 - H LEU 64 far 0 100 0 - 6.8-8.1 HG13 ILE 40 - H LEU 64 far 0 95 0 - 8.9-10.8 HG LEU 52 - H LEU 64 far 0 76 0 - 9.4-11.6 Violated in 3 structures by 0.00 A. Peak 4698 from nnoeabs.peaks (2.37, 7.42, 119.17 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.92: HB VAL 65 + H LEU 64 OK 92 92 100 100 4.1-5.2 3.8/264=85, 5798=78...(9) HG2 GLU 59 - H LEU 64 far 0 71 0 - 7.6-10.1 Violated in 1 structures by 0.00 A. Peak 4709 from nnoeabs.peaks (7.95, 8.38, 117.58 ppm; 4.44 A): 2 out of 7 assignments used, quality = 0.93: H ASP 67 + H VAL 65 OK 74 76 100 98 3.7-4.6 4.6/271=56, 4693/3.6=50...(13) H ALA 63 + H VAL 65 OK 73 73 100 99 3.6-4.3 5779=63, 3.6/4674=58...(12) H ARG 69 - H VAL 65 far 0 60 0 - 6.1-7.2 H ARG 70 - H VAL 65 far 0 100 0 - 7.9-8.9 H LYS 32 - H VAL 65 far 0 95 0 - 8.6-10.9 H LEU 29 - H VAL 65 far 0 100 0 - 9.5-10.8 H ALA 30 - H VAL 65 far 0 60 0 - 9.7-11.5 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 5 assignments used, quality = 0.97: HA LEU 62 + H VAL 65 OK 91 92 100 99 3.1-4.2 4674=67, 4721/736=57...(12) HA GLN 61 + H VAL 65 OK 61 68 100 90 3.4-4.5 4.7/4674=33, 4687/264=27...(13) HA ALA 28 - H VAL 65 far 0 85 0 - 6.1-7.5 HA THR 37 - H VAL 65 far 0 100 0 - 7.5-9.1 HA2 GLY 72 - H VAL 65 far 0 73 0 - 9.4-12.7 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 8 assignments used, quality = 0.97: QD2 LEU 62 + H ARG 66 OK 85 93 100 92 3.3-5.7 2593/4675=53...(9) QG2 ILE 40 + H ARG 66 OK 78 93 100 83 4.3-6.2 5616/5812=40...(6) HG12 ILE 68 - H ARG 66 poor 20 100 20 - 4.5-7.6 QG2 VAL 41 - H ARG 66 far 0 85 0 - 7.2-8.6 QD1 LEU 86 - H ARG 66 far 0 63 0 - 7.5-37.2 QG2 VAL 76 - H ARG 66 far 0 100 0 - 8.7-16.4 QG1 VAL 76 - H ARG 66 far 0 100 0 - 8.7-16.9 HG LEU 51 - H ARG 66 far 0 73 0 - 9.4-11.9 Violated in 2 structures by 0.01 A. Peak 4737 from nnoeabs.peaks (4.26, 7.93, 121.56 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: HA LEU 64 + H ASP 67 OK 100 100 100 100 3.1-3.6 4693=94, 4738/749=60...(12) HA ALA 77 - H ASP 67 far 0 73 0 - 8.6-22.5 HA SER 60 - H ASP 67 far 0 81 0 - 8.8-9.8 HA LYS 85 - H ASP 67 far 0 63 0 - 9.9-38.0 Violated in 0 structures by 0.00 A. Peak 4741 from nnoeabs.peaks (0.95, 7.93, 121.56 ppm; 4.67 A): 3 out of 4 assignments used, quality = 1.00: QD1 LEU 64 + H ASP 67 OK 100 100 100 100 4.4-5.7 2648/4737=74...(12) QG2 ILE 40 + H ASP 67 OK 46 71 85 77 4.8-6.7 5616/938=38...(15) QD2 LEU 62 + H ASP 67 OK 20 71 60 48 5.4-7.6 4724/4714=14...(9) QG2 VAL 41 - H ASP 67 far 0 83 0 - 6.6-8.2 Violated in 1 structures by 0.01 A. Peak 4747 from nnoeabs.peaks (3.63, 8.44, 120.04 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 65 + H ILE 68 OK 100 100 100 100 3.4-4.0 5313=87, 4761/2777=48...(15) HA ARG 69 + H ILE 68 OK 96 100 100 96 5.1-5.4 2.9/288=68, 3.6/5826=38...(13) HA ILE 40 - H ILE 68 far 0 100 0 - 7.3-9.5 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 = 0.92: HA ASP 67 + H ARG 70 OK 92 98 100 94 3.3-3.9 5049/770=40, 3.6/5826=39...(11) HA ASP 24 - H ARG 70 far 0 85 0 - 8.9-12.8 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 8 assignments used, quality = 0.99: HB3 MET 11 + H ALA 12 OK 99 99 100 100 2.0-4.4 4.1=100 HB VAL 90 + H VAL 90 OK 53 53 100 100 2.5-3.6 3.9=100 HB3 GLN 91 - H VAL 90 poor 7 30 25 - 4.2-7.4 HB2 GLU 87 - H VAL 90 far 0 42 0 - 6.7-10.2 HG3 PRO 14 - H ALA 12 far 0 57 0 - 7.7-9.6 HG2 PRO 14 - H ALA 12 far 0 57 0 - 8.4-9.9 QE MET 31 - H ALA 12 far 0 71 0 - 8.7-28.3 HB3 GLU 19 - H ALA 12 far 0 73 0 - 10.0-26.4 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 4 assignments used, quality = 1.00: * HA ARG 17 + H GLY 18 OK 100 100 100 100 2.2-3.6 3.6=100 HA GLU 19 + H GLY 18 OK 39 81 95 51 4.1-5.7 ~25=13, ~24=13...(10) HA ALA 20 - H GLY 18 far 0 89 0 - 5.7-9.1 HA ASP 38 - H GLY 18 far 0 100 0 - 6.8-21.9 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 5 assignments used, quality = 1.00: * HA2 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 21 - H GLY 18 far 4 76 5 - 4.8-12.3 HA2 GLY 21 - H GLY 18 far 0 73 0 - 5.8-12.0 HA THR 37 - H GLY 18 far 0 99 0 - 8.6-20.6 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 5 assignments used, quality = 1.00: * HA3 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 21 - H GLY 18 far 4 78 5 - 4.8-12.3 HA2 GLY 21 - H GLY 18 far 0 76 0 - 5.8-12.0 HA THR 37 - H GLY 18 far 0 99 0 - 8.6-20.6 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 4 assignments used, quality = 1.00: HB2 ARG 17 + H GLY 18 OK 100 100 100 100 2.0-4.6 4.3=100 HB3 ARG 71 - H GLY 18 far 5 95 5 - 6.6-26.0 HB2 ARG 71 - H GLY 18 far 0 96 0 - 8.2-24.7 HB2 LYS 39 - H GLY 18 far 0 93 0 - 9.3-25.6 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 2.0-4.4 4.3=100 HG3 ARG 71 - H GLY 18 far 5 100 5 - 7.6-26.3 HG3 ARG 26 - H GLY 18 far 0 100 0 - 8.0-18.5 HB3 LYS 32 - H GLY 18 far 0 81 0 - 8.8-26.3 HB ILE 33 - H GLY 18 far 0 90 0 - 9.3-21.0 Violated in 0 structures by 0.00 A. Peak 4828 from nnoeabs.peaks (1.63, 8.40, 110.03 ppm; 6.35 A): 2 out of 7 assignments used, quality = 1.00: HG3 ARG 17 + H GLY 18 OK 96 96 100 100 2.7-5.8 5.0=100 HG2 ARG 17 + H GLY 18 OK 95 95 100 100 2.1-5.5 5.0=100 HG2 ARG 26 - H GLY 18 far 5 97 5 - 6.4-20.0 HG2 ARG 71 - H GLY 18 far 5 96 5 - 7.1-26.4 HD3 LYS 32 - H GLY 18 far 0 85 0 - 9.1-27.2 HG3 ARG 70 - H GLY 18 far 0 85 0 - 9.6-28.7 HD2 LYS 32 - H GLY 18 far 0 81 0 - 9.9-27.4 Violated in 0 structures by 0.00 A. Peak 4833 from nnoeabs.peaks (1.88, 8.20, 121.35 ppm; 4.62 A): 3 out of 8 assignments used, quality = 0.89: HB2 ARG 26 + H GLU 25 OK 72 100 90 80 4.2-6.4 3.9/904=64, 3.0/3757=13...(9) HB3 ARG 26 + H GLU 25 OK 42 100 55 77 5.0-6.5 3.9/904=64, 3.0/3757=13...(5) HB2 ARG 27 + H GLU 25 OK 33 71 90 51 4.4-7.0 4157/3.6=20, 5506/53=10...(9) HB3 ARG 27 - H GLU 25 poor 15 73 45 45 5.1-7.1 4157/3.6=18, 5505/52=10...(7) HB3 ARG 71 - H GLU 25 far 4 73 5 - 5.8-13.5 HB2 ARG 71 - H GLU 25 far 0 71 0 - 6.9-12.7 HB ILE 68 - H GLU 25 far 0 85 0 - 7.5-10.8 HG12 ILE 40 - H GLU 25 far 0 65 0 - 9.7-12.6 Violated in 2 structures by 0.00 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 97 97 100 100 4.3-5.2 3.6/908=95, 2.1/5535=82...(9) HA LYS 32 + H ALA 30 OK 79 99 100 81 5.4-6.1 3.0/79=35, 4193/86=30...(5) HA2 GLY 21 - H ALA 30 far 0 89 0 - 7.8-14.5 HA3 GLY 21 - H ALA 30 far 0 87 0 - 7.9-14.3 HA GLN 61 - H ALA 30 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 4888 from nnoeabs.peaks (7.25, 8.70, 119.49 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.97: H ILE 40 + H ASP 38 OK 97 97 100 100 3.9-4.2 127/913=75, 4308/3.6=69...(10) 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 3.9-5.2 5588=82, 4308/915=75...(11) HA2 GLY 72 + H VAL 41 OK 40 73 65 84 4.8-8.8 4339/4.0=61, 4336/4.0=34...(7) HA VAL 76 - H VAL 41 far 0 60 0 - 8.3-17.8 HA2 GLY 18 - H VAL 41 far 0 97 0 - 8.6-24.4 HA3 GLY 18 - H VAL 41 far 0 97 0 - 9.6-24.5 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 2.4-3.7 2.1/4364=78, 2.1/4363=74...(15) HB2 GLU 19 - HD21 ASN 42 far 0 65 0 - 7.8-23.8 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 5.0-6.3 4914/637=72, 5356/638=69...(13) Violated in 20 structures by 0.45 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 90 100 100 3.9-4.4 200/924=70, 4549/3.6=60...(16) HE ARG 54 - H LEU 51 poor 14 60 35 68 3.8-8.2 4.0/659=27, 4.0/2331=17...(7) H ILE 40 - H LEU 51 far 0 99 0 - 9.1-10.7 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 3.8-4.4 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 4.3-4.9 676/207=79, 5307=63...(13) HB2 LEU 57 - H ALA 53 poor 5 96 25 20 5.9-8.2 4982/5951=8, 212/4973=7 HG2 PRO 34 - H ALA 53 far 0 85 0 - 7.3-10.5 HB2 PRO 34 - H ALA 53 far 0 100 0 - 8.6-11.3 HB3 LYS 39 - H ALA 53 far 0 100 0 - 9.3-14.2 Violated in 3 structures by 0.00 A. Peak 4964 from nnoeabs.peaks (1.60, 7.22, 117.09 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 51 + H ALA 53 OK 98 100 100 99 4.8-5.6 196/200=76, 3.0/5674=52...(9) HG3 ARG 54 + H ALA 53 OK 61 63 100 97 4.0-5.4 3.0/4963=54, 4.9/207=54...(9) HB3 LEU 62 - H ALA 53 far 0 90 0 - 8.1-11.2 HD3 LYS 39 - H ALA 53 far 0 78 0 - 9.1-13.4 HD2 LYS 39 - H ALA 53 far 0 81 0 - 9.8-13.5 Violated in 4 structures by 0.01 A. Peak 4965 from nnoeabs.peaks (2.81, 7.53, 116.98 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.96: HB2 TYR 55 + H ARG 54 OK 96 97 100 100 3.8-5.1 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 3.6-4.5 3.6/207=77, 4581/210=46...(10) Violated in 1 structures by 0.00 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 3.9-4.4 207/210=82, 3.0/4582=63...(12) Violated in 1 structures by 0.00 A. Peak 4974 from nnoeabs.peaks (6.95, 7.69, 117.85 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + H TYR 55 OK 100 100 100 100 3.2-6.1 4658/687=75, 4572/684=74...(11) HZ PHE 35 + H TYR 55 OK 61 100 65 94 5.0-7.3 4591/5730=53...(10) HZ PHE 48 - H TYR 55 far 0 100 0 - 9.6-10.9 Violated in 4 structures by 0.09 A. Peak 5018 from nnoeabs.peaks (8.59, 7.42, 119.17 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + H LEU 64 OK 100 100 100 100 3.8-4.9 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 3.7-4.2 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 3 assignments used, quality = 0.99: HA LEU 64 + H ARG 66 OK 99 99 100 100 3.8-5.0 3.6/271=89, 5789=83...(8) HA SER 60 - H ARG 66 far 0 73 0 - 8.2-8.9 HA ALA 77 - H ARG 66 far 0 81 0 - 9.7-23.7 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 4.3-5.1 3.2/5313=72, 5964/4.0=57...(12) QG2 VAL 65 + H ILE 68 OK 69 71 100 97 4.8-5.5 3.2/5313=72, 4.1/5812=55...(11) HG2 ARG 69 - H ILE 68 far 15 100 15 - 5.7-7.2 HG13 ILE 40 - H ILE 68 far 10 99 10 - 5.9-8.1 HG13 ILE 33 - H ILE 68 far 0 87 0 - 6.8-9.9 Violated in 0 structures by 0.00 A. Peak 5055 from nnoeabs.peaks (0.94, 7.99, 106.73 ppm; 4.14 A): 3 out of 6 assignments used, quality = 0.97: QG2 VAL 41 + H GLY 72 OK 95 100 95 100 2.8-5.7 4335/3.0=65, 4336/3.0=39...(25) QG2 ILE 40 + H GLY 72 OK 36 99 45 81 5.0-6.4 4769/5492=20...(17) HG12 ILE 68 + H GLY 72 OK 21 92 25 93 4.6-6.9 4.0/5845=40, 3.2/5056=33...(16) QG2 VAL 76 - H GLY 72 far 9 92 10 - 5.5-10.8 QG1 VAL 76 - H GLY 72 far 0 92 0 - 5.7-10.2 QD1 LEU 64 - H GLY 72 far 0 85 0 - 6.6-8.7 Violated in 3 structures by 0.07 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: QG2 ILE 68 + H GLY 72 OK 98 100 100 98 3.0-4.4 3.2/5845=44, 3936=36...(28) QG1 VAL 41 + H GLY 72 OK 78 98 80 100 3.5-6.9 4338/3.0=61, 4339/3.0=59...(22) QD1 ILE 68 - H GLY 72 far 11 73 15 - 4.3-6.8 QD1 LEU 43 - H GLY 72 far 0 71 0 - 10.0-13.0 Violated in 1 structures by 0.01 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 2.5-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 5066 from nnoeabs.peaks (1.36, 7.96, 120.67 ppm; 4.47 A): 4 out of 9 assignments used, quality = 1.00: QB ALA 77 + H VAL 76 OK 94 97 100 98 3.5-5.3 2.9/5433=74, ~349=39...(12) HG3 LYS 75 + H VAL 76 OK 71 71 100 100 1.9-5.7 2.7/340=81, 4.9=73...(16) HG2 LYS 75 + H VAL 76 OK 71 71 100 100 3.2-5.8 2.7/340=81, 4.9=73...(16) HG3 LYS 73 + H VAL 76 OK 29 76 45 85 4.0-10.1 3.8/5431=50, 5257/3.9=26...(16) QB ALA 78 - H VAL 76 poor 14 76 50 37 4.6-7.9 818/5433=12, 5436/813=8...(7) HB3 ARG 69 - H VAL 76 far 6 57 10 - 5.8-15.1 HG3 ARG 69 - H VAL 76 far 0 96 0 - 6.2-13.8 QB ALA 20 - H VAL 76 far 0 95 0 - 7.3-24.2 QB ALA 28 - H VAL 76 far 0 68 0 - 9.9-18.3 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 3.0-5.5 1.8/5085=95, 5498/523=61...(10) Violated in 2 structures by 0.00 A. Peak 5085 from nnoeabs.peaks (4.03, 8.20, 121.35 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.79: HB2 SER 22 + H GLU 25 OK 79 85 100 93 2.1-5.1 1.8/5084=61, 1252=40...(8) Violated in 3 structures by 0.03 A. Peak 5086 from nnoeabs.peaks (1.33, 7.71, 115.23 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 28 + H MET 31 OK 95 96 100 100 4.4-5.1 2.1/4182=68, 5535/86=57...(14) HG3 LYS 32 + H MET 31 OK 87 100 100 88 5.0-5.9 1594/89=64, 3.9/4193=28...(6) QG2 THR 58 - H MET 31 far 0 93 0 - 7.8-11.6 QB ALA 12 - H MET 31 far 0 99 0 - 8.0-25.0 Violated in 2 structures by 0.01 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 1.9-3.9 5089/1.7=80, 618=69...(11) 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 1.8-4.0 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 2.0-4.2 3.0/4625=78, 3.0/4624=71...(12) HG2 MET 31 - H THR 58 far 0 100 0 - 6.6-10.4 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 2.5-4.0 234/4.7=37, 2.1/4643=28 HA LEU 57 - H SER 60 far 0 100 0 - 6.4-7.4 Violated in 6 structures by 0.11 A. Peak 5122 from nnoeabs.peaks (6.94, 7.24, 115.36 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.99: QE PHE 35 + H ILE 40 OK 98 99 100 99 4.5-5.9 2.2/4657=82...(11) HD22 ASN 42 + H ILE 40 OK 23 100 25 91 5.2-6.9 5088/5633=48...(6) HZ PHE 48 - H ILE 40 far 0 97 0 - 6.8-8.5 HZ PHE 35 - H ILE 40 far 0 99 0 - 6.8-8.0 Violated in 12 structures by 0.23 A. Peak 5179 from nnoeabs.peaks (4.15, 7.91, 120.59 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.99: HA LEU 29 + H ILE 33 OK 98 99 100 99 3.4-4.3 5188=91, 4183/5303=56...(7) HA ALA 30 + H ILE 33 OK 30 87 50 70 5.7-7.7 3.6/5544=52, 4205/4.6=26...(4) HB THR 15 - H ILE 33 far 9 93 10 - 3.0-23.7 HA ILE 89 - H ILE 33 far 0 90 0 - 6.3-52.1 HA GLN 91 - H ILE 33 far 0 83 0 - 8.2-57.5 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 = 0.98: HB2 MET 31 + H ILE 33 OK 98 100 100 99 3.0-5.0 3.0/5556=71, 556/5544=68...(8) HG13 ILE 68 - H ILE 33 far 0 90 0 - 8.1-11.0 HG LEU 57 - H ILE 33 far 0 92 0 - 8.1-10.5 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 99 3.9-4.8 4523/196=71, 4525/924=70...(8) HA ARG 54 - H LEU 52 far 0 95 0 - 6.5-6.9 HD2 PRO 44 - H LEU 52 far 0 89 0 - 9.2-11.5 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 4.2-4.5 726/933=72, 5787=51...(10) HB3 LEU 57 + H LEU 62 OK 91 92 100 100 3.1-4.2 1.8/4618=38, 4.2/5368=38...(20) HB3 LEU 52 - H LEU 62 far 0 97 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 5263 from nnoeabs.peaks (0.94, 8.00, 120.49 ppm; 4.44 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 41 + H LYS 73 OK 100 100 100 100 2.5-4.1 4335/3.6=64, 5625/3.0=52...(23) QG2 ILE 40 + H LYS 73 OK 39 100 60 65 5.0-7.4 4796/3.6=14, 5055/4.5=12...(13) QG2 VAL 76 + H LYS 73 OK 28 93 35 86 4.2-9.8 ~6037=42, ~15432=40...(14) QG1 VAL 76 + H LYS 73 OK 24 93 30 86 4.1-8.2 ~6037=42, ~15432=40...(12) HG12 ILE 68 - H LYS 73 far 0 93 0 - 6.3-9.1 QD1 LEU 64 - H LYS 73 far 0 83 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 5264 from nnoeabs.peaks (0.80, 8.00, 120.49 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 41 + H LYS 73 OK 100 100 100 100 2.4-4.8 4338/3.6=61, 5626/3.0=61...(23) QG2 ILE 68 + H LYS 73 OK 77 99 90 87 3.8-5.9 4795/3.6=31, 4797/3.6=27...(15) QD1 ILE 68 - H LYS 73 far 4 83 5 - 5.7-8.6 QD1 LEU 43 - H LYS 73 far 0 60 0 - 9.3-12.1 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 - 9.7-32.7 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 4 assignments used, quality = 1.00: QG2 ILE 89 + H ILE 89 OK 98 98 100 100 2.0-3.9 4.0=100 QD1 ILE 89 + H ILE 89 OK 78 78 100 100 1.9-3.9 2.1/5269=79, 4.9=75...(7) QD2 LEU 86 - H ILE 89 lone 8 100 50 15 4.0-9.2 4840/4.5=6, 3631/5269=4...(5) QD2 LEU 29 - H ILE 89 far 5 96 5 - 5.4-43.4 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 3 assignments used, quality = 0.96: HG13 ILE 89 + H ILE 89 OK 96 99 100 97 2.0-3.9 4.5=76, 2.9/877=72...(4) HG3 LYS 85 - H ILE 89 far 0 99 0 - 6.7-13.0 QB ALA 30 - H ILE 89 far 0 100 0 - 9.2-47.7 Violated in 0 structures by 0.00 A. Peak 5275 from nnoeabs.peaks (2.02, 8.13, 115.78 ppm; 5.09 A): 1 out of 3 assignments used, quality = 0.98: HB2 GLU 87 + H THR 88 OK 98 98 100 100 2.0-4.4 4.6=100 HB VAL 90 - H THR 88 far 5 100 5 - 6.1-9.2 HB3 GLN 91 - H THR 88 far 0 87 0 - 9.7-13.3 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 2 assignments used, quality = 0.92: HB ILE 89 + H VAL 90 OK 92 92 100 100 2.3-4.4 4.4=100 HB2 LYS 13 - H ALA 12 poor 12 40 30 - 4.9-7.6 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 2.7-2.9 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: HD3 ARG 23 + H ASP 24 OK 73 95 100 77 3.9-6.5 3.5/44=37, 3.5/44=37...(4) HD2 ARG 23 + H ASP 24 OK 73 95 100 77 4.5-6.5 3.5/44=37, 3.5/44=37...(4) HD3 ARG 26 - H ASP 24 poor 20 100 20 - 5.4-9.1 HD2 ARG 27 - H ASP 24 poor 17 98 45 39 4.9-9.7 ~5346=17, 3.5/3734=15 HD3 ARG 71 - H ASP 24 far 12 78 15 - 3.5-14.8 HD3 ARG 27 - H ASP 24 poor 10 98 25 39 6.4-9.4 ~5346=17, 3.5/3734=15 HD2 ARG 26 - H ASP 24 lone 4 100 25 15 5.7-9.0 ~5294=5, 1455/3.6=5...(4) HD3 ARG 84 - H ASP 24 far 0 60 0 - 8.9-38.3 HD3 ARG 70 - H ASP 24 far 0 68 0 - 9.7-17.9 Violated in 1 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 = 0.72: HA LEU 57 + HE22 GLN 61 OK 72 83 100 87 2.7-5.4 6101/4.6=45, 4.0/4672=40...(6) HB THR 58 - HE22 GLN 61 far 12 78 15 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 5345 from nnoeabs.peaks (4.13, 8.13, 119.29 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.91: HA ARG 27 + H ARG 26 OK 82 87 100 94 5.2-5.4 3.0/5380=76, 5341=41...(12) HA ARG 23 + H ARG 26 OK 52 99 100 52 3.0-4.2 5341=33, 3754/904=7...(9) HA LEU 29 - H ARG 26 far 0 65 0 - 6.9-7.9 HA ALA 30 - H ARG 26 far 0 100 0 - 8.1-9.5 Violated in 2 structures by 0.00 A. Peak 5347 from nnoeabs.peaks (4.09, 8.21, 122.47 ppm; 3.55 A): 3 out of 6 assignments used, quality = 0.98: HA GLU 25 + H ALA 28 OK 86 100 100 86 3.2-3.9 4181/2.9=41, 1328=19...(15) HA ARG 27 + H ALA 28 OK 78 78 100 100 3.4-3.6 3.6=99, 3.0/71=28...(15) HA ARG 26 + H ALA 28 OK 45 71 100 64 3.8-4.8 4184/76=18, 4161/2.9=16...(10) HA GLU 25 - H ARG 84 far 0 85 0 - 8.5-35.3 HA ARG 26 - H ARG 84 far 0 54 0 - 9.0-40.0 HA ARG 71 - H ARG 84 far 0 69 0 - 9.2-30.3 Violated in 0 structures by 0.00 A. Peak 5359 from nnoeabs.peaks (4.50, 7.83, 112.13 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 46 + HD22 ASN 49 OK 99 100 100 99 2.0-4.9 4496/1.7=63...(8) Violated in 5 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 3.0-4.2 4621=82, 4625/248=65...(15) Violated in 0 structures by 0.00 A. Peak 5379 from nnoeabs.peaks (3.98, 7.98, 119.32 ppm; 3.90 A): 3 out of 5 assignments used, quality = 0.99: HA ARG 66 + H ARG 69 OK 95 100 100 95 3.3-3.7 5047/760=48, 5378=41...(16) HA ARG 70 + H ARG 69 OK 60 76 90 88 5.0-5.5 2.9/940=58, 3.6/5825=44...(8) HA2 GLY 72 + H ARG 69 OK 45 90 60 83 4.5-7.6 ~15492=24, ~5492=24...(15) HA ALA 28 - H ARG 69 far 0 81 0 - 9.3-10.9 HA VAL 76 - H ARG 69 far 0 97 0 - 9.4-15.0 Violated in 0 structures by 0.00 A. Peak 5380 from nnoeabs.peaks (8.13, 8.18, 120.59 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.86: H ARG 26 + H ARG 27 OK 86 100 100 86 2.6-2.9 4.6=30, 5345/3.0=21...(18) H LYS 85 - H ARG 27 far 0 78 0 - 9.9-42.2 Violated in 0 structures by 0.00 A. Peak 5382 from nnoeabs.peaks (3.17, 8.18, 120.59 ppm; 4.56 A): 4 out of 9 assignments used, quality = 1.00: HD2 ARG 27 + H ARG 27 OK 98 100 100 98 4.1-5.6 6.3=39, 3.0/538=26...(20) HD3 ARG 27 + H ARG 27 OK 98 100 100 98 3.5-5.8 6.3=39, 3.0/538=26...(20) HD2 ARG 26 + H ARG 27 OK 76 100 80 95 2.7-6.4 3.0/65=62, 6.1/5380=39...(16) HD3 ARG 26 + H ARG 27 OK 61 100 65 94 2.7-6.6 3.0/65=62, 6.1/5380=39...(13) HD2 ARG 23 - H ARG 27 far 15 99 15 - 5.5-9.7 HD3 ARG 23 - H ARG 27 far 10 99 10 - 5.9-9.6 HD3 ARG 71 - H ARG 27 far 3 65 5 - 5.8-15.9 HD3 ARG 84 - H ARG 27 far 0 73 0 - 8.3-42.4 HD2 ARG 84 - H ARG 27 far 0 68 0 - 9.9-42.8 Violated in 0 structures by 0.00 A. Peak 5383 from nnoeabs.peaks (4.49, 8.18, 120.59 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.93: HA ASP 24 + H ARG 27 OK 93 99 100 94 3.3-4.1 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 5 assignments used, quality = 0.92: HA ARG 27 + H ALA 30 OK 77 78 100 98 3.3-4.2 5388/553=74, 3.6/5538=37...(16) HA ARG 26 + H ALA 30 OK 66 71 100 93 3.4-5.0 5348/3764=41, 5394/82=32...(12) HA GLU 25 - H ALA 30 far 0 100 0 - 6.3-7.6 HB THR 88 - H ALA 30 far 0 68 0 - 9.2-53.3 HA VAL 90 - H ALA 30 far 0 87 0 - 9.5-57.5 Violated in 0 structures by 0.00 A. Peak 5389 from nnoeabs.peaks (3.51, 8.11, 117.98 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + H ARG 71 OK 100 100 100 100 3.0-4.6 5815=92, 3.6/5825=59...(15) Violated in 1 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 2.4-3.0 303=100, 307/770=35...(19) H LYS 75 - H ARG 70 far 0 92 0 - 5.5-9.7 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 3 assignments used, quality = 0.96: * H ARG 71 + H GLY 72 OK 96 100 100 96 2.3-2.9 4.7=40, 779/5.0=27...(19) H LYS 75 - H GLY 72 poor 18 92 20 - 4.5-9.5 H ARG 26 - H GLY 72 far 0 71 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 5410 from nnoeabs.peaks (7.96, 8.09, 121.69 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: H VAL 76 + H LYS 75 OK 100 100 100 100 1.9-4.4 4.6=83, 3975/3.0=78...(16) H ARG 70 - H LYS 75 far 10 99 10 - 5.5-9.7 H ARG 69 - H LYS 75 far 0 73 0 - 7.3-11.6 H LEU 29 - H LYS 85 far 0 52 0 - 9.6-42.5 Violated in 4 structures by 0.02 A. Peak 5411 from nnoeabs.peaks (8.23, 7.96, 120.67 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: H ALA 77 + H VAL 76 OK 100 100 100 100 1.8-4.2 5433=99, 349/3.0=71...(11) H GLN 79 - H VAL 76 poor 9 97 25 38 5.1-8.8 3984/3.0=15, 3985/813=9...(7) H GLU 25 - H VAL 76 far 0 71 0 - 8.0-21.1 H SER 22 - H VAL 76 far 0 92 0 - 9.2-23.1 Violated in 4 structures by 0.03 A. Peak 5414 from nnoeabs.peaks (1.99, 8.22, 118.71 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.96: HB3 GLN 79 + H GLN 79 OK 91 100 100 91 2.1-4.0 4.0=80, 3.0/5415=24...(7) HB2 GLN 79 + H GLN 79 OK 57 63 100 91 2.2-3.9 4.0=80, 3.0/5415=24...(6) HG2 ARG 66 - H GLN 79 far 0 90 0 - 9.3-24.4 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 3 assignments used, quality = 1.00: HG3 GLN 79 + H GLN 79 OK 97 100 100 98 2.7-4.5 5.1=59, 3.0/824=44...(13) HG2 GLN 79 + H GLN 79 OK 97 100 100 97 2.1-4.8 5.1=59, 3.0/824=44...(12) HG3 GLU 25 - H GLN 79 far 0 78 0 - 6.5-27.5 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 2 assignments used, quality = 1.00: * HB2 ASN 80 + H ASN 80 OK 100 100 100 100 2.1-4.1 3.8=100 HB3 ASN 49 - H ASN 80 far 0 71 0 - 7.4-28.9 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 2.2-4.0 3.8=100 HB3 ASN 74 - H ASN 80 far 0 71 0 - 8.1-16.5 HB2 ASN 42 - H ASN 80 far 0 100 0 - 8.4-27.0 HB3 ASN 42 - H ASN 80 far 0 100 0 - 9.6-26.1 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 4 assignments used, quality = 1.00: HB2 GLN 79 + H ASN 80 OK 97 97 100 100 2.6-4.5 4.2=100 HB3 GLN 79 + H ASN 80 OK 87 87 100 100 2.2-4.6 4.2=100 HB2 ARG 70 - H ASN 80 far 4 78 5 - 4.8-21.8 HB3 ARG 70 - H ASN 80 far 4 78 5 - 5.6-20.6 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 4 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 54 98 100 55 3.1-5.0 15882/4.7=34, ~6040=9...(7) HA LYS 73 - H ASN 80 far 4 87 5 - 4.7-17.7 HA ARG 82 - H ASN 80 far 0 81 0 - 7.0-9.5 Violated in 0 structures by 0.00 A. Peak 5422 from nnoeabs.peaks (4.61, 8.28, 119.06 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.98: * HA ASN 80 + H ASN 80 OK 98 98 100 100 2.3-2.9 3.0=100 HA ASN 74 - H ASN 80 far 10 100 10 - 5.5-16.4 Violated in 0 structures by 0.00 A. Peak 5425 from nnoeabs.peaks (8.28, 8.28, 119.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 80 + H ASN 80 OK 100 100 - 100 Peak 5431 from nnoeabs.peaks (4.18, 7.96, 120.67 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.56: HA LYS 73 + H VAL 76 OK 56 100 60 93 3.2-9.6 6037/813=73, 4008/4.6=21...(12) HA ALA 78 - H VAL 76 poor 13 65 20 - 5.0-8.6 HA GLN 79 - H VAL 76 far 0 87 0 - 6.7-9.9 Violated in 13 structures by 1.41 A. Peak 5433 from nnoeabs.peaks (7.96, 8.23, 126.87 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.99: H VAL 76 + H ALA 77 OK 99 100 100 100 1.8-4.2 5411=91, 3.0/349=72...(11) H ARG 70 - H ALA 77 far 0 96 0 - 5.9-15.2 H GLY 72 - H ALA 77 far 0 68 0 - 7.0-13.1 H ARG 69 - H ALA 77 far 0 87 0 - 7.9-16.8 Violated in 4 structures by 0.03 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 - 9.7-32.7 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 3 assignments used, quality = 1.00: HG2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.1-4.1 3.5=100 HG3 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.2-4.1 3.5=100 HG3 GLU 25 - HE21 GLN 79 far 0 71 0 - 5.7-33.4 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 5 assignments used, quality = 1.00: HG2 GLN 79 + HE22 GLN 79 OK 100 100 100 100 2.1-4.1 3.5=100 HG3 GLN 79 + HE22 GLN 79 OK 100 100 100 100 2.1-4.1 3.5=100 HG3 GLU 25 - HE22 GLN 79 far 4 81 5 - 5.2-32.3 HG2 GLN 79 - HD21 ASN 49 far 0 99 0 - 7.3-31.8 HG3 GLN 79 - HD21 ASN 49 far 0 99 0 - 8.0-30.5 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 - 6.5-17.2 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 3 assignments used, quality = 1.00: * HA TYR 81 + H TYR 81 OK 100 100 100 100 2.7-2.9 3.0=100 HA SER 22 - H TYR 81 far 0 90 0 - 7.5-31.6 HA ASP 67 - H TYR 81 far 0 95 0 - 9.9-26.3 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 2.1-3.6 3.9=100 HE2 LYS 73 - H TYR 81 far 0 68 0 - 5.4-18.6 HE3 LYS 73 - H TYR 81 far 0 65 0 - 7.0-17.9 HE2 LYS 75 - H TYR 81 far 0 87 0 - 10.0-18.3 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 2 assignments used, quality = 0.99: QD TYR 81 + H TYR 81 OK 99 99 100 100 1.9-4.2 4.5=100 QD PHE 48 - H TYR 81 far 0 100 0 - 9.4-22.7 Violated in 0 structures by 0.00 A. Peak 5470 from nnoeabs.peaks (2.71, 8.05, 120.90 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASN 80 + H TYR 81 OK 98 98 100 100 3.5-4.7 4.4=100 Violated in 1 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 5 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 poor 17 83 20 - 3.8-10.3 HA ALA 78 - H ARG 82 far 9 60 15 - 5.1-12.0 HA ARG 84 - H ARG 82 far 0 99 0 - 6.9-9.2 HA LYS 73 - H ARG 82 far 0 100 0 - 8.6-20.3 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 = 0.95: * HA TYR 81 + H ARG 82 OK 95 99 100 96 2.2-3.6 3.6=93, 5466/4.3=34...(6) HA SER 22 - H ARG 82 far 0 83 0 - 6.9-32.6 Violated in 3 structures by 0.01 A. Peak 5475 from nnoeabs.peaks (3.00, 8.04, 122.15 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.71: HB3 TYR 81 + H ARG 82 OK 71 71 100 100 2.4-4.5 4.1=100 Violated in 1 structures by 0.00 A. Peak 5476 from nnoeabs.peaks (1.76, 8.04, 122.15 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 82 + H ARG 82 OK 100 100 100 100 2.3-3.3 4.0=100 HB2 LYS 83 - H ARG 82 poor 15 90 40 43 4.0-7.4 361/4.6=22, 6051/3.0=13...(6) HB3 LYS 73 - H ARG 82 far 0 96 0 - 7.3-18.3 HG3 ARG 71 - H ARG 82 far 0 93 0 - 9.2-28.2 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 5 assignments used, quality = 0.98: * HB2 ARG 82 + H ARG 82 OK 98 100 100 98 3.5-4.1 4.0=93, 2.9/5478=55...(6) HB3 LYS 83 - H ARG 82 poor 15 76 20 - 4.2-7.7 HB3 LYS 85 - H ARG 82 far 0 63 0 - 6.7-13.1 HG3 ARG 66 - H ARG 82 far 0 100 0 - 9.3-31.3 HG2 ARG 70 - H ARG 82 far 0 93 0 - 9.4-25.5 Violated in 4 structures by 0.02 A. Peak 5478 from nnoeabs.peaks (1.53, 8.04, 122.15 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: * HG2 ARG 82 + H ARG 82 OK 99 100 100 99 2.0-4.3 5885/3.0=72, 2.9/5477=66...(9) Violated in 4 structures by 0.02 A. Peak 5492 from nnoeabs.peaks (3.63, 7.99, 106.73 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.95: * HA ARG 69 + H GLY 72 OK 95 100 100 95 3.4-5.0 5837/5397=45, 2784=34...(17) HA VAL 65 - H GLY 72 far 0 100 0 - 7.6-8.9 HA ILE 40 - H GLY 72 far 0 100 0 - 8.1-10.6 Violated in 5 structures by 0.11 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 - 8.6-14.2 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 6 assignments used, quality = 1.00: HG2 ARG 23 + H ASP 24 OK 100 100 100 100 2.1-4.9 4.9=100 HD3 LYS 75 - H ASP 24 poor 20 99 20 - 3.2-23.0 HD2 LYS 75 - H ASP 24 far 15 99 15 - 4.6-22.9 HG LEU 29 - H ASP 24 far 0 100 0 - 7.8-10.1 HB3 LEU 64 - H ASP 24 far 0 68 0 - 8.0-12.6 HB2 ARG 82 - H ASP 24 far 0 76 0 - 10.0-34.6 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 5 assignments used, quality = 0.95: QB ALA 28 + H GLU 25 OK 95 97 100 99 4.4-5.6 4181/2.9=66, 5512/524=49...(13) QB ALA 16 - H GLU 25 far 15 97 15 - 5.8-17.2 QB ALA 20 - H GLU 25 poor 12 63 55 35 4.2-9.1 5514/523=10, 5512/524=10...(5) QB ALA 12 - H GLU 25 far 0 89 0 - 8.3-29.1 HG2 LYS 85 - H GLU 25 far 0 63 0 - 9.3-41.0 Violated in 3 structures by 0.02 A. Peak 5516 from nnoeabs.peaks (0.87, 8.13, 119.29 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 29 + H ARG 26 OK 99 99 100 100 3.8-4.8 5367=61, ~5929=52...(19) QD2 LEU 29 + H ARG 26 OK 60 60 100 100 2.9-6.8 2.1/5367=55, ~5929=52...(20) QD1 LEU 86 - H ARG 26 far 5 92 5 - 4.6-40.4 QD2 LEU 64 - H ARG 26 far 0 60 0 - 6.9-8.5 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 4 assignments used, quality = 1.00: QB ALA 30 + H ARG 27 OK 100 100 100 100 4.5-5.6 5388/3.0=99, 5539=97...(11) HG12 ILE 33 - H ARG 27 far 0 100 0 - 7.1-9.9 HG3 LYS 13 - H ARG 27 far 0 93 0 - 9.2-29.2 HG2 LYS 13 - H ARG 27 far 0 85 0 - 9.3-30.5 Violated in 2 structures by 0.02 A. Peak 5520 from nnoeabs.peaks (1.34, 8.18, 120.59 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.90: QB ALA 28 + H ARG 27 OK 90 100 100 91 4.1-4.4 ~69=30, 5162/5521=27...(14) QB ALA 16 - H ARG 27 far 0 89 0 - 6.5-17.2 QB ALA 12 - H ARG 27 far 0 97 0 - 7.6-28.4 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 4 assignments used, quality = 1.00: QD2 LEU 64 + H ARG 27 OK 98 100 100 98 4.9-6.5 5162/5520=63...(10) QD2 LEU 29 + H ARG 27 OK 94 100 100 94 4.1-6.5 4839/5520=55...(17) QD2 LEU 86 - H ARG 27 far 5 98 5 - 4.4-40.7 QG2 ILE 89 - H ARG 27 far 0 100 0 - 8.9-46.5 Violated in 3 structures by 0.03 A. Peak 5522 from nnoeabs.peaks (2.05, 8.18, 120.59 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 25 + H ARG 27 OK 98 100 100 98 4.6-5.6 4.7/5380=82, 3.0/61=39...(12) HB2 GLU 25 + H ARG 27 OK 97 100 100 97 4.6-5.9 4.7/5380=82, 3.0/61=39...(12) HB3 MET 31 - H ARG 27 far 0 90 0 - 7.2-9.4 HB3 GLU 19 - H ARG 27 far 0 90 0 - 8.7-14.9 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 3.6-4.1 86/908=93, 5526/3.0=63...(13) Violated in 0 structures by 0.00 A. Peak 5527 from nnoeabs.peaks (2.05, 8.21, 122.47 ppm; 5.02 A): 3 out of 8 assignments used, quality = 1.00: HB2 GLU 25 + H ALA 28 OK 97 100 100 97 4.4-5.9 3.0/5347=37, ~4181=35...(15) HB3 GLU 25 + H ALA 28 OK 97 100 100 97 5.0-5.7 3.0/5347=37, ~4181=35...(15) HB3 MET 31 + H ALA 28 OK 26 89 30 98 5.5-7.5 5529/3.0=62...(10) HB2 GLU 25 - H ARG 84 far 4 86 5 - 6.4-36.2 HB3 GLU 25 - H ARG 84 far 4 86 5 - 6.1-36.2 HB3 GLU 19 - H ALA 28 far 0 92 0 - 7.6-16.6 HB VAL 45 - H ARG 84 far 0 78 0 - 7.6-32.3 HB2 GLU 87 - H ARG 84 far 0 61 0 - 9.2-14.1 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 14 assignments used, quality = 1.00: HD3 ARG 27 + H ALA 28 OK 98 100 100 98 4.6-6.6 3.5/71=46, 3.5/70=46...(13) HD2 ARG 27 + H ALA 28 OK 98 100 100 98 4.5-6.3 3.5/71=46, 3.5/70=46...(13) HD3 ARG 84 + H ARG 84 OK 56 57 100 99 3.8-5.7 6.2=69, 3.5/843=37...(15) HD2 ARG 84 + H ARG 84 OK 52 52 100 99 3.7-5.9 6.2=69, 3.5/843=37...(15) HD3 ARG 26 - H ALA 28 poor 20 100 20 - 5.0-8.9 HD2 ARG 26 - H ALA 28 far 15 100 15 - 5.3-8.7 HD3 ARG 71 - H ALA 28 far 3 65 5 - 6.6-15.6 HD2 ARG 82 - H ARG 84 lone 1 54 40 5 5.0-10.0 4.9/3367=2, 3.6/369=1 HD2 ARG 26 - H ARG 84 far 0 86 0 - 7.8-40.6 HD3 ARG 23 - H ALA 28 far 0 99 0 - 7.8-11.8 HD2 ARG 23 - H ALA 28 far 0 99 0 - 7.9-11.8 HD2 ARG 66 - H ARG 84 far 0 72 0 - 8.8-34.4 HD3 ARG 17 - H ALA 28 far 0 95 0 - 9.0-20.9 HD3 ARG 26 - H ARG 84 far 0 86 0 - 9.4-40.6 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 4 assignments used, quality = 0.98: QB ALA 30 + H LEU 29 OK 94 95 100 100 4.0-4.5 2.9/908=92, 4843/4.0=46...(17) HG12 ILE 33 + H LEU 29 OK 65 93 95 73 4.7-7.5 4230/3.6=33, 3626/3.0=18...(10) HG3 LYS 13 - H LEU 29 far 0 100 0 - 6.7-25.7 HG13 ILE 89 - H LEU 29 far 0 85 0 - 7.3-53.3 Violated in 0 structures by 0.00 A. Peak 5535 from nnoeabs.peaks (1.33, 7.98, 123.05 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 28 + H ALA 30 OK 100 100 100 100 4.3-4.9 78/908=94, 2.9/5538=65...(12) QB ALA 16 - H ALA 30 far 10 68 15 - 5.0-20.4 HG3 LYS 32 - H ALA 30 far 5 100 5 - 6.2-7.6 QB ALA 12 - H ALA 30 far 0 100 0 - 6.5-25.0 Violated in 11 structures by 0.04 A. Peak 5538 from nnoeabs.peaks (8.21, 7.98, 123.05 ppm; 4.79 A): 1 out of 5 assignments used, quality = 1.00: H ALA 28 + H ALA 30 OK 100 100 100 100 3.8-4.5 76/908=93, 2.9/5535=67...(13) H THR 15 - H ALA 30 far 0 99 0 - 6.6-20.7 H GLU 25 - H ALA 30 far 0 97 0 - 7.8-8.6 H SER 22 - H ALA 30 far 0 100 0 - 8.5-12.9 H ALA 12 - H ALA 30 far 0 65 0 - 8.5-30.0 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 6 assignments used, quality = 1.00: QB ALA 30 + H LYS 32 OK 100 100 100 100 4.1-4.5 3.6/89=72, 4190/90=54...(15) HG12 ILE 33 + H LYS 32 OK 96 100 100 97 3.7-5.5 574/4.6=58, 5543/3.0=29...(15) HG3 LYS 13 - H LYS 32 poor 20 99 20 - 5.3-27.7 HG2 LYS 13 - H LYS 32 far 7 71 10 - 5.6-25.9 HG13 ILE 89 - H LYS 32 far 0 98 0 - 7.3-55.4 HB3 LEU 57 - H LYS 32 far 0 83 0 - 8.5-11.8 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 9 assignments used, quality = 1.00: HD3 LYS 32 + H LYS 32 OK 100 100 100 100 4.6-5.6 3.0/564=82, 3.0/1594=77...(17) HD2 LYS 32 + H LYS 32 OK 99 99 100 100 4.6-5.5 3.0/564=82, 3.0/1594=77...(17) HG3 ARG 27 - H LYS 32 far 0 92 0 - 6.7-10.4 HG2 ARG 27 - H LYS 32 far 0 93 0 - 7.3-9.9 HB2 LEU 86 - H LYS 32 far 0 100 0 - 7.4-48.9 HG3 ARG 17 - H LYS 32 far 0 100 0 - 8.0-27.3 HG2 ARG 17 - H LYS 32 far 0 100 0 - 8.0-27.1 HG LEU 86 - H LYS 32 far 0 85 0 - 9.1-50.9 HG2 ARG 26 - H LYS 32 far 0 100 0 - 9.1-11.5 Violated in 1 structures by 0.00 A. Peak 5544 from nnoeabs.peaks (7.70, 7.91, 120.59 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.99: H MET 31 + H ILE 33 OK 99 99 100 100 3.3-5.2 3.0/5556=66, 89/4.6=65...(16) H GLN 61 - H ILE 33 far 0 87 0 - 7.8-10.2 Violated in 2 structures by 0.02 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 4.3-4.9 4.8=100 HD3 PRO 36 - H ILE 33 far 0 87 0 - 8.6-9.7 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 = 0.56: HA MET 31 + H ILE 33 OK 56 60 100 93 4.3-6.4 3.0/5544=71, 3.0/5181=66 Violated in 3 structures by 0.11 A. Peak 5559 from nnoeabs.peaks (0.85, 7.91, 120.59 ppm; 4.96 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 64 + H ILE 33 OK 96 97 100 99 3.9-5.4 5162/5303=70...(11) QD2 LEU 29 + H ILE 33 OK 82 97 90 95 4.4-6.8 1482/5188=62...(9) QD1 LEU 29 - H ILE 33 far 7 71 10 - 6.4-7.2 QG2 ILE 89 - H ILE 33 far 5 93 5 - 3.5-45.8 QD2 LEU 86 - H ILE 33 far 0 76 0 - 7.2-40.3 QD1 LEU 62 - H ILE 33 far 0 85 0 - 9.7-12.1 Violated in 1 structures by 0.00 A. Peak 5576 from nnoeabs.peaks (0.72, 6.31, 116.43 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H PHE 35 OK 97 97 100 99 3.7-5.8 4612/4248=72...(14) QD1 ILE 33 + H PHE 35 OK 93 93 100 100 4.5-5.1 3.2/4248=92, 5351=72...(14) 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 3.7-4.7 4313/3.0=91, 4314/3.8=68...(10) HG3 PRO 34 - H THR 37 far 0 100 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 5589 from nnoeabs.peaks (7.39, 8.81, 115.67 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: H LYS 39 + H THR 37 OK 100 100 100 100 3.9-4.6 913/119=89, 5605/3.0=77...(7) 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 4.6-5.4 915/4888=67, 5632/123=57...(10) HD21 ASN 42 + H ASP 38 OK 91 100 95 96 5.1-6.8 4356/3.0=51, ~4887=47...(7) Violated in 1 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 3.8-4.8 5632=86, 915/914=82...(9) HD21 ASN 42 + H LYS 39 OK 88 100 100 88 5.1-6.3 4356/3.6=42, 6082/3.0=33...(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 4 assignments used, quality = 1.00: HB3 PRO 34 + H PHE 35 OK 100 100 100 100 2.9-4.7 4.0=100 HB2 LYS 39 - H PHE 35 far 13 87 15 - 5.6-9.2 HB3 PRO 14 - H PHE 35 far 5 93 5 - 5.4-21.8 HB ILE 68 - H PHE 35 far 0 73 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 5598 from nnoeabs.peaks (0.93, 8.70, 119.49 ppm; 5.24 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 41 + H ASP 38 OK 99 99 100 100 4.4-5.4 4337/3.0=88, ~5355=63...(13) QG2 ILE 40 + H ASP 38 OK 94 100 95 99 6.0-6.7 4310/3.6=79, 3.2/5599=67...(7) QG2 VAL 76 - H ASP 38 far 10 99 10 - 4.9-18.4 QG1 VAL 76 - H ASP 38 far 10 99 10 - 5.0-15.9 HG12 ILE 68 - H ASP 38 far 0 99 0 - 7.1-9.3 QD1 LEU 64 - H ASP 38 far 0 68 0 - 7.4-10.8 QD2 LEU 43 - H ASP 38 far 0 90 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 5599 from nnoeabs.peaks (1.90, 8.70, 119.49 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.98: HG12 ILE 40 + H ASP 38 OK 98 99 100 98 4.5-5.5 605/4888=70, 4311/3.6=68...(9) HB2 GLU 19 - H ASP 38 far 14 97 15 - 5.6-18.9 HB ILE 68 - H ASP 38 far 0 100 0 - 7.2-8.1 HG13 ILE 68 - H ASP 38 far 0 71 0 - 7.5-9.9 HB3 PRO 14 - H ASP 38 far 0 96 0 - 7.7-26.8 Violated in 8 structures by 0.06 A. Peak 5605 from nnoeabs.peaks (3.93, 7.39, 117.25 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.98: HA THR 37 + H LYS 39 OK 98 98 100 100 3.5-4.9 3.6/913=81, 4266/914=70...(8) HA2 GLY 18 - H LYS 39 far 5 100 5 - 6.1-23.9 HA3 GLY 18 - H LYS 39 far 0 100 0 - 7.5-23.8 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 4.0-5.3 4657=99, 4318/607=76...(14) 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: HB3 ASN 42 + H VAL 41 OK 98 99 100 99 4.1-4.8 4.1/916=79, 4.4/5631=65...(10) HB2 ASN 42 + H VAL 41 OK 96 97 100 99 5.7-6.3 4.1/916=79, 4.4/5631=65...(8) 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 3.4-5.0 149/916=69, 4372/3.6=53...(9) Violated in 11 structures by 0.22 A. Peak 5632 from nnoeabs.peaks (7.38, 7.63, 114.41 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.91: H LYS 39 + H VAL 41 OK 91 92 100 99 3.8-4.8 914/915=77, 5593=49...(9) 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 = 0.99: H ILE 40 + H ASN 42 OK 99 99 100 100 3.7-4.1 915/916=87, 3.6/5790=63...(8) H ASP 47 - H ASN 42 far 0 87 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 5635 from nnoeabs.peaks (1.73, 7.72, 113.33 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.90: HB2 LEU 43 + H ASN 42 OK 90 100 100 90 4.0-5.1 621/149=89, 2015/148=12 HG3 ARG 71 - H ASN 42 far 0 76 0 - 9.9-15.3 Violated in 3 structures by 0.00 A. Peak 5640 from nnoeabs.peaks (4.04, 7.52, 120.92 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + H LEU 43 OK 100 100 100 100 4.6-4.9 4373/3.0=81, 4.8=75...(11) HA PHE 48 + H LEU 43 OK 42 97 45 96 5.4-6.7 4468/624=62, 4463/621=47...(9) Violated in 20 structures by 0.27 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 4.1-4.9 4431/4.2=85, 919/4.6=81...(12) Violated in 0 structures by 0.00 A. Peak 5660 from nnoeabs.peaks (7.53, 8.77, 123.38 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: H LEU 51 + H PHE 48 OK 99 99 100 100 4.4-4.8 5678=84, 4525/3.0=82...(8) H LEU 43 + H PHE 48 OK 74 100 75 99 5.6-6.8 622/4459=69, 621/4458=69...(7) H ARG 54 - H PHE 48 far 0 99 0 - 8.9-9.8 HD21 ASN 80 - H PHE 48 far 0 78 0 - 9.3-24.5 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 4.7-5.2 2.2/180=93, 4.4/177=69...(10) Violated in 17 structures by 0.06 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 3.7-5.3 4486/3.0=95, 4959/180=76...(12) 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 4 assignments used, quality = 0.93: HA ASN 49 + HD21 ASN 49 OK 93 93 100 100 3.4-5.2 4.4=100 HA LYS 73 - HE22 GLN 79 far 0 76 0 - 8.0-20.3 HA ALA 53 - HD21 ASN 49 far 0 97 0 - 9.2-11.4 HA ARG 82 - HE22 GLN 79 far 0 72 0 - 9.5-15.0 Violated in 9 structures by 0.05 A. Peak 5670 from nnoeabs.peaks (1.60, 7.73, 120.91 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 51 + H GLU 50 OK 100 100 100 100 4.3-4.9 660/923=88, 196/5687=60...(7) HG3 ARG 54 - H GLU 50 far 8 78 10 - 5.7-7.3 HD3 LYS 39 - H GLU 50 far 0 90 0 - 8.6-12.7 HD2 LYS 39 - H GLU 50 far 0 92 0 - 8.8-12.7 Violated in 3 structures by 0.02 A. Peak 5671 from nnoeabs.peaks (8.78, 7.73, 120.91 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.99: H PHE 48 + H GLU 50 OK 97 97 100 100 3.7-4.6 4452=97, 3.6/4506=71...(10) H ASP 46 + H GLU 50 OK 74 93 85 94 5.7-6.3 3.0/4507=68, 919/6130=54...(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 3.9-4.5 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 4.4-4.8 3.0/4525=88, 4452/923=75...(7) H ASP 46 - H LEU 51 far 0 99 0 - 7.4-8.0 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 3.9-4.5 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 4.2-5.0 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 5.0-5.4 3.0/4549=89, ~4962=51...(14) HB2 GLU 50 + H ALA 53 OK 97 97 100 100 4.9-5.9 3.0/4549=89, ~4962=51...(13) HB3 PRO 56 - H ALA 53 far 0 85 0 - 9.7-10.5 HD3 ARG 69 - H ALA 53 far 0 83 0 - 10.0-14.6 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 3.5-4.5 687/210=76, 4634/2315=59...(15) 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 4.5-5.3 2.2/687=98, 4639/3.0=74...(15) HE22 GLN 61 - H TYR 55 far 0 92 0 - 8.1-11.4 Violated in 4 structures by 0.03 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 3.8-4.8 2.1/5733=70...(13) 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 99 4.0-6.0 4946=59, 5727/5713=51...(15) Violated in 3 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 4.4-4.8 3.6/210=80, 2.1/4582=79...(6) HG3 LYS 39 - H TYR 55 far 0 100 0 - 9.7-11.8 Violated in 11 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 = 0.99: HG LEU 57 + H TYR 55 OK 99 100 100 100 4.1-4.7 2.1/5730=81, 4584/684=71...(9) 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 3.0-5.6 1.8/5745=84, 4584/692=77...(8) Violated in 14 structures by 0.18 A. Peak 5745 from nnoeabs.peaks (2.94, 8.15, 124.80 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.99: HB3 TYR 55 + H LEU 57 OK 99 100 100 99 2.2-5.8 1.8/5744=78, 4604/693=66...(9) HE2 LYS 32 - H LEU 57 far 0 97 0 - 8.0-15.0 HE3 LYS 32 - H LEU 57 far 0 97 0 - 8.8-15.5 Violated in 15 structures by 0.37 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 3.0-5.5 3.6/218=89, 3.0/220=66...(9) HD3 PRO 56 + H LEU 57 OK 99 99 100 100 4.1-5.5 3.6/218=89, 3.0/220=66...(9) Violated in 0 structures by 0.00 A. Peak 5747 from nnoeabs.peaks (1.56, 8.15, 124.80 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.58: HG LEU 62 + H LEU 57 OK 58 100 60 97 4.8-7.0 2.1/4597=75, 4982/3.8=48...(6) HG3 ARG 54 - H LEU 57 far 0 93 0 - 7.0-10.1 HB3 LEU 62 - H LEU 57 far 0 68 0 - 7.2-9.2 HB3 ARG 54 - H LEU 57 far 0 93 0 - 7.3-9.5 HG LEU 64 - H LEU 57 far 0 78 0 - 9.6-13.5 Violated in 20 structures by 1.32 A. Peak 5752 from nnoeabs.peaks (1.98, 9.06, 113.20 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.97: QE MET 31 + H THR 58 OK 83 93 95 94 4.1-7.4 5079/5757=41...(9) HG LEU 57 + H THR 58 OK 81 81 100 100 4.6-5.1 4.9=100 HB2 LEU 64 - H THR 58 far 0 100 0 - 7.4-8.5 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 2.1-4.8 1.8/5090=93, 3.0/4625=91...(11) 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 = 0.98: HA GLN 61 + H THR 58 OK 95 95 100 100 4.7-5.2 3.0/4625=88, 5757=82...(12) HA LEU 62 + H THR 58 OK 62 63 100 98 4.9-6.0 3.0/5368=75, 4.7/5757=47...(8) HA LYS 32 - H THR 58 far 0 71 0 - 9.0-11.2 HA ALA 28 - H THR 58 far 0 99 0 - 9.4-11.1 Violated in 0 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 3.8-4.4 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 = 0.98: H LEU 64 + H GLN 61 OK 91 92 100 100 4.6-5.6 4687/3.0=78, 5776/932=70...(8) HE21 GLN 61 + H GLN 61 OK 73 73 100 100 4.8-6.2 3.5/713=87, 3.5/714=81...(14) 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 2.0-4.5 5763/1.7=82, 5545=80...(12) 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 2.1-3.7 5762/1.7=76, 4206=73...(16) 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 2.0-3.8 4655/1.7=83, 3.8/5762=71...(14) 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 5 assignments used, quality = 1.00: HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 1.9-4.0 4.6=100 HD3 LYS 13 - HE21 GLN 61 far 0 100 0 - 9.1-26.2 HB3 LYS 13 - HE21 GLN 61 far 0 89 0 - 9.2-26.4 HG LEU 29 - HE21 GLN 61 far 0 97 0 - 9.4-12.5 HD2 LYS 13 - HE21 GLN 61 far 0 100 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. Peak 5769 from nnoeabs.peaks (1.77, 7.68, 122.99 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.87: HB2 LEU 62 + H GLN 61 OK 69 71 100 97 4.1-4.7 4.0/932=65, 1.8/5778=52...(9) HB2 LEU 57 + H GLN 61 OK 58 100 60 96 4.9-6.5 4.2/4648=51, 4600/4.0=47...(10) HB2 LYS 32 - H GLN 61 far 0 100 0 - 6.7-11.3 HG2 PRO 34 - H GLN 61 far 0 96 0 - 7.9-9.9 HB3 LYS 32 - H GLN 61 far 0 100 0 - 8.3-11.5 HB ILE 33 - H GLN 61 far 0 100 0 - 9.0-10.9 HB2 PRO 34 - H GLN 61 far 0 99 0 - 9.5-12.0 Violated in 2 structures by 0.00 A. Peak 5774 from nnoeabs.peaks (1.96, 8.82, 120.20 ppm; 5.10 A): 3 out of 5 assignments used, quality = 0.99: HB2 LEU 64 + H LEU 62 OK 94 99 100 95 5.1-6.2 2619/5776=64...(8) QE MET 31 + H LEU 62 OK 68 71 100 97 4.3-6.2 5082/5776=41...(12) HG LEU 57 + H LEU 62 OK 68 97 70 100 6.0-7.1 2.1/5739=67, 2.1/5738=65...(13) HB2 MET 31 - H LEU 62 far 3 60 5 - 6.5-9.1 HB3 ARG 66 - H LEU 62 far 0 76 0 - 6.7-9.0 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 4.3-4.9 3.6/932=84, 4647/933=74...(6) HA LEU 64 - H LEU 62 far 0 81 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 5776 from nnoeabs.peaks (7.42, 8.82, 120.20 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.98: H LEU 64 + H LEU 62 OK 98 99 100 100 3.9-5.0 934/933=81, 4687/3.6=67...(11) H LEU 52 - H LEU 62 far 0 100 0 - 9.3-11.1 Violated in 4 structures by 0.03 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 3.6-4.3 264/934=83, 4674/3.6=63...(12) 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 2 assignments used, quality = 0.99: H GLN 61 + H ALA 63 OK 99 99 100 100 3.8-4.4 5759=98, 932/933=83...(10) H MET 31 - H ALA 63 far 0 85 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 5788 from nnoeabs.peaks (8.82, 7.42, 119.17 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: H LEU 62 + H LEU 64 OK 99 99 100 100 3.9-5.0 5776=98, 933/934=94...(11) Violated in 0 structures by 0.00 A. Peak 5795 from nnoeabs.peaks (0.71, 8.38, 117.58 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + H VAL 65 OK 99 100 100 99 3.1-4.7 4211=70, 6122/269=62...(11) QD2 LEU 57 + H VAL 65 OK 55 100 70 78 4.9-6.7 4725/2669=38...(8) Violated in 1 structures by 0.00 A. Peak 5796 from nnoeabs.peaks (4.06, 8.38, 117.58 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 63 + H VAL 65 OK 100 100 100 100 4.2-5.0 3.6/264=83, 5783=75...(10) HA GLU 59 - H VAL 65 far 0 89 0 - 7.5-8.1 Violated in 3 structures by 0.01 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 4.1-4.9 3.9/937=80, 1.8/5813=66...(7) HB3 PHE 48 - H ARG 66 far 0 97 0 - 8.7-10.8 HB2 ASN 49 - H ARG 66 far 0 68 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 5801 from nnoeabs.peaks (7.43, 8.59, 117.85 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.97: H LEU 64 + H ARG 66 OK 97 97 100 100 3.8-4.9 5018=79, 264/271=77...(8) HE21 GLN 61 - H ARG 66 far 0 60 0 - 8.1-10.8 H LEU 52 - H ARG 66 far 0 100 0 - 8.6-10.6 Violated in 3 structures by 0.02 A. Peak 5803 from nnoeabs.peaks (0.81, 7.93, 121.56 ppm; 5.24 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 68 + H ASP 67 OK 98 100 100 98 5.8-6.0 4.0/938=80, 2.1/278=41...(12) QD1 ILE 68 + H ASP 67 OK 61 63 100 97 4.0-5.5 5.0/938=66, 6071/4737=45...(12) QD2 LEU 86 - H ASP 67 far 0 73 0 - 7.2-36.6 QG1 VAL 41 - H ASP 67 far 0 95 0 - 8.2-10.0 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 4.2-4.9 4.1/937=79, 2.1/4714=71...(20) QG2 VAL 65 + H ASP 67 OK 93 93 100 100 4.9-6.0 4714=84, 4.1/937=79...(18) HG2 ARG 69 - H ASP 67 far 9 93 10 - 6.5-8.7 HG13 ILE 40 - H ASP 67 far 0 100 0 - 7.2-9.8 HG13 ILE 33 - H ASP 67 far 0 99 0 - 7.8-10.8 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 4 assignments used, quality = 0.89: QB ALA 63 + H ASP 67 OK 89 89 100 100 4.7-5.3 2.1/5808=94, 4.9/4737=71...(10) HG2 ARG 82 - H ASP 67 far 0 71 0 - 8.2-31.7 HB3 LEU 52 - H ASP 67 far 0 57 0 - 9.6-12.3 HG2 LYS 73 - H ASP 67 far 0 71 0 - 9.9-13.1 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 = 1.00: HD3 ARG 66 + H ASP 67 OK 100 100 100 100 4.5-6.6 3.0/280=83, 3.0/5802=65...(16) HD2 ARG 66 + H ASP 67 OK 100 100 100 100 3.8-6.6 3.0/280=83, 3.0/5802=65...(16) HD2 ARG 70 + H ASP 67 OK 50 81 65 95 5.0-9.1 ~5049=47, ~5052=44...(13) HD3 ARG 70 + H ASP 67 OK 40 85 50 95 4.2-8.3 ~5049=47, ~5052=44...(13) HD3 ARG 71 - H ASP 67 far 14 92 15 - 6.3-9.4 HD2 ARG 27 - H ASP 67 far 5 90 5 - 6.8-10.5 HD3 ARG 27 - H ASP 67 far 0 90 0 - 7.1-11.3 Violated in 1 structures by 0.00 A. Peak 5807 from nnoeabs.peaks (3.63, 7.93, 121.56 ppm; 5.34 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 65 + H ASP 67 OK 100 100 100 100 4.1-5.1 3.6/937=90, 5313/938=80...(13) HA ARG 69 + H ASP 67 OK 32 100 35 92 6.6-7.5 ~5819=42, 4747/938=41...(11) HA ILE 40 - H ASP 67 far 0 100 0 - 8.4-11.1 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 4.0-4.8 5036/937=64, 2.1/5805=56...(11) HA ARG 71 - H ASP 67 far 0 100 0 - 8.1-9.2 HA GLU 59 - H ASP 67 far 0 63 0 - 9.4-10.8 Violated in 1 structures by 0.00 A. Peak 5809 from nnoeabs.peaks (3.98, 8.44, 120.04 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: HA ARG 66 + H ILE 68 OK 99 100 100 99 3.8-4.6 3.6/938=84, 3.0/5812=75...(9) HA2 GLY 72 + H ILE 68 OK 52 90 65 89 4.7-8.3 ~5845=41, 4797/4.0=30...(11) HA ARG 70 - H ILE 68 far 8 76 10 - 6.5-7.4 HA ALA 28 - H ILE 68 far 0 81 0 - 7.4-8.9 HA GLN 61 - H ILE 68 far 0 93 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 5810 from nnoeabs.peaks (4.27, 8.44, 120.04 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.93: HA LEU 64 + H ILE 68 OK 93 93 100 100 3.7-4.9 6135=93, 2648/6134=65...(9) HA ASP 38 - H ILE 68 far 0 100 0 - 9.3-10.8 HA ALA 20 - H ILE 68 far 0 95 0 - 9.9-20.3 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 3.6-4.5 937/938=78, 3.6/5313=66...(11) Violated in 0 structures by 0.00 A. Peak 5818 from nnoeabs.peaks (1.54, 8.44, 120.04 ppm; 5.32 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 64 + H ILE 68 OK 100 100 100 100 3.5-5.7 2.1/6134=92...(8) HG LEU 62 - H ILE 68 far 0 63 0 - 8.7-10.8 HG3 ARG 23 - H ILE 68 far 0 100 0 - 9.2-15.3 HG2 LYS 39 - H ILE 68 far 0 97 0 - 9.9-13.3 Violated in 7 structures by 0.08 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 3.8-4.7 3.6/288=88, 4792/4.6=62...(6) HA ASP 24 - H ARG 69 far 0 99 0 - 7.9-11.1 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 = 1.00: HD3 ARG 69 + H ARG 69 OK 99 100 100 99 4.2-5.9 3.9/760=67, 3.9/2800=47...(19) HD2 ARG 69 + H ARG 69 OK 99 100 100 99 4.5-5.8 3.9/760=67, 3.9/2800=47...(18) HG2 ARG 66 - H ARG 69 poor 18 83 45 49 5.3-7.0 4.1/5378=30, 280/940=10...(6) HB VAL 76 - H ARG 69 far 0 93 0 - 6.6-16.5 Violated in 12 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 = 0.98: H ARG 71 + H ARG 69 OK 98 100 100 98 3.7-4.6 303/940=59, 15389/3.6=54...(15) H LYS 75 - H ARG 69 far 0 97 0 - 7.3-11.6 Violated in 4 structures by 0.03 A. Peak 5826 from nnoeabs.peaks (8.43, 7.95, 118.23 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: H ILE 68 + H ARG 70 OK 99 100 100 99 3.6-4.8 3.6/4792=75, 288/940=67...(11) Violated in 0 structures by 0.00 A. Peak 5828 from nnoeabs.peaks (3.21, 7.95, 118.23 ppm; 5.01 A): 3 out of 5 assignments used, quality = 1.00: HD2 ARG 70 + H ARG 70 OK 99 99 100 100 3.7-5.7 3.0/770=84, 6.3=50...(21) HD3 ARG 70 + H ARG 70 OK 97 97 100 100 3.4-5.9 3.0/770=84, 6.3=50...(22) HD3 ARG 71 + H ARG 70 OK 31 93 40 84 4.4-7.6 5.8/303=50, 3.0/771=33...(13) HD2 ARG 66 - H ARG 70 poor 14 71 20 - 5.7-8.8 HD3 ARG 66 - H ARG 70 far 3 65 5 - 6.4-8.6 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 2.6-4.9 1.8/3944=68, 3.0/297=62...(19) QG1 VAL 65 - H ARG 70 far 5 99 5 - 5.9-6.9 QG2 VAL 65 - H ARG 70 far 0 65 0 - 7.0-8.6 HG13 ILE 40 - H ARG 70 far 0 99 0 - 8.0-9.3 Violated in 10 structures by 0.16 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 99 100 100 99 4.4-5.4 4303/4.3=53, 4302/4.3=44...(18) QG2 VAL 41 + H ARG 70 OK 95 100 100 95 4.7-6.0 5130/3.6=37, 4774/4.3=27...(16) QG2 VAL 76 - H ARG 70 poor 19 97 20 - 4.4-11.5 QG1 VAL 76 - H ARG 70 poor 19 97 20 - 5.1-11.3 HG12 ILE 68 - H ARG 70 far 5 97 5 - 5.4-7.5 QD1 LEU 64 - H ARG 70 far 0 76 0 - 6.8-8.8 QD2 LEU 62 - H ARG 70 far 0 100 0 - 7.4-10.7 Violated in 1 structures by 0.01 A. Peak 5831 from nnoeabs.peaks (0.82, 7.95, 118.23 ppm; 5.08 A): 2 out of 5 assignments used, quality = 0.99: QG2 ILE 68 + H ARG 70 OK 97 98 100 99 4.6-5.6 4.1/940=62, 4.0/5826=58...(15) QG1 VAL 41 + H ARG 70 OK 62 78 85 94 5.1-7.0 2.1/5830=42...(13) QD2 LEU 64 - H ARG 70 far 0 65 0 - 8.4-10.0 QD2 LEU 86 - H ARG 70 far 0 92 0 - 8.6-32.9 QD1 LEU 43 - H ARG 70 far 0 96 0 - 9.3-11.7 Violated in 5 structures by 0.03 A. Peak 5833 from nnoeabs.peaks (3.19, 8.11, 117.98 ppm; 4.82 A): 3 out of 8 assignments used, quality = 1.00: HD3 ARG 71 + H ARG 71 OK 100 100 100 100 1.9-5.0 3.0/779=87, ~2937=56...(19) HD3 ARG 70 + H ARG 71 OK 98 98 100 100 3.9-6.2 3.0/307=80, 3.0/308=42...(20) HD2 ARG 70 + H ARG 71 OK 96 97 100 100 4.3-5.8 3.0/307=80, 3.0/308=42...(22) HD3 ARG 66 - H ARG 71 far 0 99 0 - 7.4-10.9 HD2 ARG 27 - H ARG 71 far 0 68 0 - 7.6-13.0 HD2 ARG 66 - H ARG 71 far 0 99 0 - 7.7-10.9 HD3 ARG 27 - H ARG 71 far 0 68 0 - 8.2-14.2 HD3 ARG 23 - H ARG 71 far 0 57 0 - 9.8-16.3 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 = 0.96: QG2 VAL 41 + H ARG 71 OK 81 100 85 95 4.5-6.8 5055/5397=47...(13) QG2 ILE 40 + H ARG 71 OK 67 99 80 84 5.3-7.1 5830/303=34...(10) HG12 ILE 68 + H ARG 71 OK 43 92 50 93 5.6-7.5 4.0/5389=64, 5.0/5825=54...(9) QG2 VAL 76 - H ARG 71 poor 18 92 20 - 5.8-11.7 QG1 VAL 76 - H ARG 71 far 14 92 15 - 5.1-11.0 QD1 LEU 64 - H ARG 71 far 0 85 0 - 6.6-8.4 QD2 LEU 62 - H ARG 71 far 0 99 0 - 9.2-11.7 Violated in 7 structures by 0.10 A. Peak 5835 from nnoeabs.peaks (0.81, 8.11, 117.98 ppm; 5.33 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + H ARG 71 OK 100 100 100 100 3.9-5.9 3.2/5389=80, 4.1/5825=70...(14) QG1 VAL 41 + H ARG 71 OK 75 95 85 94 5.2-8.0 5056/5397=37...(11) QD1 ILE 68 + H ARG 71 OK 28 63 50 88 4.6-7.4 4.1/15389=69...(8) QD2 LEU 86 - H ARG 71 far 0 73 0 - 9.1-33.7 Violated in 1 structures by 0.01 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 4.2-5.6 3.6/303=87, 2.9/5825=82...(11) HA VAL 65 - H ARG 71 far 0 100 0 - 7.9-8.7 HA ILE 40 - H ARG 71 far 0 99 0 - 9.0-11.2 Violated in 5 structures by 0.03 A. Peak 5838 from nnoeabs.peaks (4.49, 8.11, 117.98 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.95: HA ASP 67 + H ARG 71 OK 95 97 100 98 2.7-5.1 5049/307=67, 4792/303=56...(12) HA ASP 24 - H ARG 71 far 0 100 0 - 7.0-11.3 HA TYR 81 - H ARG 71 far 0 63 0 - 9.6-22.6 Violated in 0 structures by 0.00 A. Peak 5839 from nnoeabs.peaks (1.39, 7.99, 106.73 ppm; 5.27 A): 3 out of 10 assignments used, quality = 0.99: HB3 ARG 69 + H GLY 72 OK 96 99 100 97 5.5-6.7 3.0/5492=83, 4.3/295=29...(14) HG3 ARG 69 + H GLY 72 OK 64 97 70 95 5.0-7.8 3.9/15492=72...(15) HG3 LYS 73 + H GLY 72 OK 24 100 25 96 4.1-7.5 2998/4.5=61, 2.9/5841=37...(12) QB ALA 77 - H GLY 72 poor 19 96 20 - 5.3-12.7 HG3 LYS 75 - H GLY 72 far 15 100 15 - 5.2-12.4 HG2 LYS 75 - H GLY 72 far 10 100 10 - 6.0-12.2 QB ALA 20 - H GLY 72 far 5 97 5 - 5.9-16.7 QB ALA 78 - H GLY 72 far 0 100 0 - 8.4-16.6 QB ALA 16 - H GLY 72 far 0 63 0 - 9.3-22.9 HG2 LYS 83 - H GLY 72 far 0 85 0 - 9.8-26.7 Violated in 11 structures by 0.05 A. Peak 5840 from nnoeabs.peaks (1.62, 7.99, 106.73 ppm; 4.69 A): 2 out of 6 assignments used, quality = 1.00: HG2 ARG 71 + H GLY 72 OK 99 100 100 100 2.0-5.3 5.0=84, 5.0/5397=56...(14) HG3 ARG 70 + H GLY 72 OK 66 97 75 90 4.6-7.2 5.0/5397=56, 2.9/5842=36...(8) HD3 LYS 73 - H GLY 72 far 10 96 10 - 4.7-8.5 HD2 LYS 73 - H GLY 72 far 5 96 5 - 5.9-8.4 HG3 ARG 27 - H GLY 72 far 0 97 0 - 7.3-12.7 HG2 ARG 27 - H GLY 72 far 0 98 0 - 8.0-13.8 Violated in 1 structures by 0.00 A. Peak 5841 from nnoeabs.peaks (1.77, 7.99, 106.73 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.98: HG3 ARG 71 + H GLY 72 OK 86 87 100 99 2.3-5.4 5.0=71, 2928/5397=55...(10) HB3 LYS 73 + H GLY 72 OK 85 99 90 95 4.2-6.3 788/4.5=58, ~5844=33...(16) HB3 LYS 75 - H GLY 72 poor 17 87 25 79 4.1-12.8 16032/3.0=44, ~16031=42...(10) HB2 LYS 83 - H GLY 72 far 0 96 0 - 9.4-25.7 Violated in 2 structures by 0.00 A. Peak 5842 from nnoeabs.peaks (1.96, 7.99, 106.73 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.86: HB2 ARG 70 + H GLY 72 OK 66 99 80 84 4.3-6.4 4.4/5397=62, 4.1/295=26...(5) HB3 ARG 70 + H GLY 72 OK 57 99 70 83 4.4-6.2 4.4/5397=62, 4.1/295=26...(5) HB3 ARG 66 - H GLY 72 far 0 81 0 - 7.9-10.0 HB2 GLN 79 - H GLY 72 far 0 100 0 - 8.8-17.8 HB2 LEU 64 - H GLY 72 far 0 98 0 - 9.4-12.6 Violated in 13 structures by 0.37 A. Peak 5845 from nnoeabs.peaks (3.50, 7.99, 106.73 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 68 + H GLY 72 OK 100 100 100 100 2.1-4.2 5389/5397=67...(21) Violated in 0 structures by 0.00 A. Peak 5847 from nnoeabs.peaks (1.60, 6.90, 112.60 ppm; 4.87 A): 0 out of 14 assignments used, quality = 0.00: HG2 ARG 71 - HD22 ASN 74 far 9 92 10 - 4.1-11.0 HG3 ARG 70 - HD22 ASN 74 far 5 99 5 - 4.7-12.4 HD2 LYS 73 - HD22 ASN 80 far 5 96 5 - 4.8-20.5 HD3 LYS 73 - HD22 ASN 80 far 5 96 5 - 5.8-19.0 HD3 LYS 73 - HD22 ASN 74 far 0 99 0 - 6.5-10.5 HG2 ARG 71 - HD22 ASN 80 far 0 87 0 - 6.6-23.8 HD2 LYS 73 - HD22 ASN 74 far 0 99 0 - 6.7-11.1 HG3 ARG 17 - HD22 ASN 74 far 0 92 0 - 6.8-32.9 HG3 ARG 70 - HD22 ASN 80 far 0 95 0 - 6.9-22.0 HG2 ARG 17 - HD22 ASN 74 far 0 93 0 - 6.9-33.3 HG2 ARG 84 - HD22 ASN 80 far 0 92 0 - 7.1-14.8 HG3 ARG 84 - HD22 ASN 80 far 0 92 0 - 7.9-16.3 HB2 LEU 86 - HD22 ASN 80 far 0 93 0 - 8.5-22.5 HB3 LEU 51 - HD22 ASN 80 far 0 96 0 - 9.7-28.2 Violated in 17 structures by 1.36 A. Peak 5849 from nnoeabs.peaks (1.46, 8.09, 121.69 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.73: HG3 LYS 85 + H LYS 85 OK 49 52 100 96 1.9-4.7 4.8=84, ~3427=27...(8) HG2 LYS 73 + H LYS 75 OK 47 87 70 77 2.0-8.1 2.9/803=26, 3.8/4008=22...(13) HG13 ILE 89 - H LYS 85 far 0 37 0 - 8.5-17.1 QB ALA 63 - H LYS 85 far 0 30 0 - 9.9-35.8 Violated in 0 structures by 0.00 A. Peak 5850 from nnoeabs.peaks (0.93, 8.09, 121.69 ppm; 5.59 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 76 + H LYS 75 OK 96 98 100 98 2.9-5.9 3.9/5410=79, 3.2/5851=55...(17) QG2 VAL 76 + H LYS 75 OK 96 98 100 98 3.2-6.1 3.9/5410=79, 3.2/5851=55...(19) QG2 VAL 41 + H LYS 75 OK 54 100 75 72 4.9-9.5 4336/15851=40...(11) QG2 ILE 40 - H LYS 75 far 0 100 0 - 7.4-12.1 HG12 ILE 68 - H LYS 75 far 0 98 0 - 7.7-15.1 QD1 LEU 64 - H LYS 75 far 0 71 0 - 9.2-15.0 Violated in 0 structures by 0.00 A. Peak 5851 from nnoeabs.peaks (3.96, 8.09, 121.69 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.99: HA VAL 76 + H LYS 75 OK 99 100 100 100 4.6-6.0 3.0/5410=82, 5853/4.0=55...(13) * HA2 GLY 72 + H LYS 75 OK 37 100 40 93 2.9-9.9 16031/4.0=63...(8) HA3 GLY 21 - H LYS 75 far 5 96 5 - 6.1-22.7 HA2 GLY 21 - H LYS 75 far 0 97 0 - 7.5-23.9 HA ARG 66 - H LYS 75 far 0 93 0 - 9.3-13.9 HA THR 37 - H LYS 75 far 0 65 0 - 9.5-16.5 Violated in 2 structures by 0.03 A. Peak 5855 from nnoeabs.peaks (2.80, 7.96, 120.67 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.83: HB2 ASN 74 + H VAL 76 OK 61 98 85 73 4.8-8.1 4.6/5410=63, 5058/4.9=8...(6) HB3 ASN 74 + H VAL 76 OK 56 81 95 73 4.8-7.0 4.6/5410=63, 5990/3.9=8...(6) Violated in 4 structures by 0.13 A. Peak 5857 from nnoeabs.peaks (8.23, 8.15, 122.77 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.99: H ALA 77 + H ALA 78 OK 94 100 100 94 1.9-4.6 4.6=61, 3.0/354=43...(13) H GLN 79 + H ALA 78 OK 83 95 100 88 1.9-4.6 4.6=62, 3.6/821=37...(8) H SER 22 - H ALA 78 far 0 87 0 - 6.8-26.3 H ARG 84 - H ALA 78 far 0 57 0 - 9.9-16.3 H GLU 25 - H ALA 78 far 0 63 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 5858 from nnoeabs.peaks (8.15, 8.23, 126.87 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: H ALA 78 + H ALA 77 OK 100 100 100 100 1.9-4.6 4.6=100 H ASN 74 + H ALA 77 OK 60 99 65 93 4.2-11.0 3.0/16039=65, ~16040=45...(5) Violated in 0 structures by 0.00 A. Peak 5861 from nnoeabs.peaks (0.91, 8.15, 122.77 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.89: QG2 VAL 76 + H ALA 78 OK 67 98 85 80 2.0-7.3 4.3/5857=34, 5437/3.6=30...(13) QG1 VAL 76 + H ALA 78 OK 67 98 85 80 2.1-7.2 4.3/5857=34, 5437/3.6=29...(13) QG2 VAL 41 - H ALA 78 far 0 76 0 - 6.8-15.7 QG2 ILE 40 - H ALA 78 far 0 87 0 - 8.7-17.2 QD1 LEU 86 - H ALA 78 far 0 73 0 - 9.4-21.2 QD2 LEU 62 - H ALA 78 far 0 87 0 - 9.8-23.6 Violated in 4 structures by 0.15 A. Peak 5882 from nnoeabs.peaks (4.21, 8.05, 120.90 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.97: * HA ALA 78 + H TYR 81 OK 90 100 95 95 3.3-8.3 5862/3.9=60, 6049/3.9=58...(7) HA GLN 79 + H TYR 81 OK 64 98 95 69 3.3-6.5 6050=34, 5868/4.5=26...(6) HA ALA 77 - H TYR 81 poor 18 65 40 68 4.1-8.5 15875/4.4=39...(3) HA LYS 73 - H TYR 81 far 0 69 0 - 7.0-17.0 HA LYS 85 - H TYR 81 far 0 76 0 - 7.5-15.6 HA ARG 84 - H TYR 81 far 0 78 0 - 8.8-12.0 Violated in 2 structures by 0.03 A. Peak 5895 from nnoeabs.peaks (1.38, 8.27, 123.92 ppm; 5.24 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 85 + H LEU 86 OK 99 99 100 100 2.0-5.2 4.7=100 HG2 LYS 83 - H LEU 86 far 0 92 0 - 7.6-11.4 QB ALA 78 - H LEU 86 far 0 100 0 - 7.7-18.4 HG3 LYS 39 - H LEU 86 far 0 81 0 - 10.0-39.0 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 7 assignments used, quality = 0.78: HG2 ARG 84 + H LYS 83 OK 56 100 95 59 3.8-6.6 845/4.6=31, 3.9/359=23...(8) HG3 ARG 84 + H LYS 83 OK 50 100 85 59 3.9-6.9 845/4.6=31, 3.9/359=23...(8) HG LEU 86 - H LYS 83 far 5 100 5 - 6.5-15.0 HB2 LEU 86 - H LYS 83 far 4 83 5 - 6.1-14.3 HD2 LYS 73 - H LYS 83 far 0 90 0 - 7.5-23.9 HD3 LYS 73 - H LYS 83 far 0 90 0 - 8.6-23.5 HG3 ARG 70 - H LYS 83 far 0 87 0 - 9.1-26.1 Violated in 4 structures by 0.00 A. Peak 5897 from nnoeabs.peaks (1.37, 8.31, 123.08 ppm; 4.97 A): 1 out of 5 assignments used, quality = 1.00: HG2 LYS 83 + H LYS 83 OK 100 100 100 100 2.0-4.9 4.6=100 QB ALA 78 - H LYS 83 far 14 93 15 - 5.5-10.7 QB ALA 77 - H LYS 83 far 0 100 0 - 6.7-13.8 HG2 LYS 85 - H LYS 83 far 0 100 0 - 7.1-11.3 HG3 LYS 73 - H LYS 83 far 0 93 0 - 8.1-23.1 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 99 2.5-4.5 4.6=84, 397/861=59...(7) Violated in 6 structures by 0.01 A. Peak 5899 from nnoeabs.peaks (8.13, 8.42, 121.83 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: H THR 88 + H GLU 87 OK 100 100 100 100 2.0-4.6 4.6=100 H LYS 85 + H GLU 87 OK 24 76 55 59 3.8-7.9 4.7/5898=58 H ARG 26 - H GLU 87 far 0 100 0 - 9.3-46.6 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 2.0-4.6 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 3 assignments used, quality = 1.00: HB3 GLU 87 + H THR 88 OK 100 100 100 100 2.2-4.4 4.6=100 HB2 GLN 91 - H THR 88 far 0 96 0 - 8.3-13.4 HB3 ARG 26 - H THR 88 far 0 63 0 - 9.3-50.3 Violated in 0 structures by 0.00 A. Peak 5905 from nnoeabs.peaks (2.26, 8.03, 129.89 ppm; 5.04 A): 0 out of 0 assignments used, quality = 0.00: Peak 5906 from nnoeabs.peaks (1.99, 8.20, 114.71 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.99: HG2 PRO 14 + H THR 15 OK 90 99 100 92 3.1-5.0 3.8/10=90, 4390/3.0=16 HG3 PRO 14 + H THR 15 OK 90 99 100 91 4.4-5.8 3.8/10=90, ~4390=12 HG LEU 43 - H THR 15 far 0 100 0 - 8.5-31.4 HB3 MET 11 - H THR 15 far 0 93 0 - 9.0-14.4 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 6 assignments used, quality = 1.00: HD3 ARG 17 + H ARG 17 OK 99 99 100 100 2.7-6.4 5.6=100 HD2 ARG 17 + H ARG 17 OK 99 99 100 100 3.1-6.4 5.6=100 HD2 ARG 26 - H ARG 17 far 5 99 5 - 6.7-21.6 HD3 ARG 26 - H ARG 17 far 5 99 5 - 6.4-21.6 HD2 ARG 71 - H ARG 17 far 3 63 5 - 6.3-29.6 HD3 ARG 23 - H ARG 17 far 0 100 0 - 9.8-24.1 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 4 assignments used, quality = 0.99: QD1 ILE 68 + H ALA 28 OK 99 99 100 100 3.3-4.7 4758/2.9=86, 5928/3.0=65...(17) QG2 ILE 68 + H ALA 28 OK 59 81 75 97 5.1-7.5 ~5302=46, ~4758=46...(14) QD1 ILE 89 - H ALA 28 far 4 76 5 - 5.8-44.7 QD1 ILE 89 - H ARG 84 far 0 59 0 - 8.0-16.7 Violated in 0 structures by 0.00 A. Peak 5910 from nnoeabs.peaks (2.07, 7.46, 111.22 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.99: HB3 MET 31 + HE21 GLN 61 OK 99 100 100 99 3.0-5.2 5931=76, 5911/1.7=71...(17) HG3 PRO 56 - HE21 GLN 61 far 13 87 15 - 6.1-9.7 HB2 PRO 56 - HE21 GLN 61 far 5 90 5 - 6.2-10.9 HB2 GLU 59 - HE21 GLN 61 far 0 85 0 - 8.8-11.4 HB3 GLU 59 - HE21 GLN 61 far 0 85 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 5911 from nnoeabs.peaks (2.06, 6.83, 111.22 ppm; 5.22 A): 1 out of 4 assignments used, quality = 0.95: HB3 MET 31 + HE22 GLN 61 OK 95 97 100 99 3.0-6.2 5910/1.7=72, 4.3/5930=53...(16) HB2 PRO 56 - HE22 GLN 61 far 9 60 15 - 5.9-10.1 HG2 PRO 56 - HE22 GLN 61 lone 0 78 30 2 5.1-9.9 HB3 PRO 56 - HE22 GLN 61 lone 0 63 35 2 6.0-9.9 Violated in 6 structures by 0.13 A. Peak 5912 from nnoeabs.peaks (1.96, 6.83, 111.22 ppm; 5.46 A): 3 out of 6 assignments used, quality = 0.99: HG LEU 57 + HE22 GLN 61 OK 93 99 95 100 4.5-7.1 3.7/5301=64, 2.1/4672=50...(14) HB2 MET 31 + HE22 GLN 61 OK 65 65 100 100 4.3-6.8 1.8/5911=86, ~5910=69...(15) QE MET 31 + HE22 GLN 61 OK 62 65 95 99 3.4-7.3 5930=63, 4.3/5911=60...(13) HB2 LEU 64 - HE22 GLN 61 far 15 98 15 - 6.1-8.6 HG3 PRO 14 - HE22 GLN 61 far 0 78 0 - 7.3-24.5 HG2 PRO 14 - HE22 GLN 61 far 0 78 0 - 8.1-23.0 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 5 assignments used, quality = 1.00: HB2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.2-5.0 4.4=100 HB3 GLN 79 + HE21 GLN 79 OK 65 65 100 100 2.5-5.3 4.4=100 HB2 ARG 70 - HE21 GLN 79 far 5 95 5 - 3.0-19.4 HB3 ARG 70 - HE21 GLN 79 far 5 95 5 - 3.6-18.9 HB3 ARG 66 - HE21 GLN 79 far 0 68 0 - 8.3-23.6 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 1.9-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 5915 from nnoeabs.peaks (3.15, 8.20, 122.31 ppm; 5.51 A): 4 out of 14 assignments used, quality = 1.00: HD3 ARG 84 + H ARG 84 OK 100 100 100 100 3.8-5.7 6.2=70, 3.5/843=51...(15) HD2 ARG 84 + H ARG 84 OK 99 99 100 100 3.7-5.9 6.2=70, 3.5/843=51...(15) HD3 ARG 27 + H ALA 28 OK 69 72 100 95 4.6-6.6 3.5/71=33, 3.5/70=33...(13) HD2 ARG 27 + H ALA 28 OK 69 72 100 95 4.5-6.3 3.5/71=33, 3.5/70=33...(13) HD3 ARG 26 - H ALA 28 poor 12 61 20 - 5.0-8.9 HD2 ARG 26 - H ALA 28 far 9 63 15 - 5.3-8.7 HD2 ARG 82 - H ARG 84 lone 3 100 40 6 5.0-10.0 3.6/369=2, 4.9/3367=2 HD2 ARG 71 - H ALA 28 far 0 77 0 - 7.4-15.7 HD2 ARG 26 - H ARG 84 far 0 81 0 - 7.8-40.6 HD3 ARG 23 - H ALA 28 far 0 78 0 - 7.8-11.8 HD2 ARG 23 - H ALA 28 far 0 78 0 - 7.9-11.8 HD3 ARG 17 - H ALA 28 far 0 83 0 - 9.0-20.9 HD3 ARG 26 - H ARG 84 far 0 78 0 - 9.4-40.6 HD2 ARG 71 - H ARG 84 far 0 95 0 - 9.6-34.3 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 5 assignments used, quality = 1.00: QD2 LEU 86 + H LEU 86 OK 100 100 100 100 2.8-4.4 4.8=100 QD1 ILE 89 - H LEU 86 poor 16 65 25 - 4.9-10.5 QD2 LEU 29 - H LEU 86 far 0 99 0 - 7.0-37.2 QG2 ILE 89 - H LEU 86 far 0 100 0 - 7.6-11.0 QG2 ILE 68 - H LEU 86 far 0 60 0 - 9.3-30.7 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 4 assignments used, quality = 0.76: QD2 LEU 86 + H GLU 87 OK 76 76 100 100 1.9-4.1 4.9=100 QG2 ILE 89 - H GLU 87 poor 9 93 40 24 4.5-9.8 5998/4.6=16, ~5904=5, 3540/396=2 QD2 LEU 29 - H GLU 87 far 5 97 5 - 5.5-39.1 QD1 LEU 29 - H GLU 87 far 4 71 5 - 5.1-41.1 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 81 85 100 95 2.3-5.0 4.0/402=81, 3.0/4032=43...(10) HG2 GLU 87 + H THR 88 OK 79 83 100 95 2.2-5.2 4.0/402=81, 3.0/4032=43...(10) 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 3.0-5.1 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 7 assignments used, quality = 1.00: HB2 MET 11 + H ALA 12 OK 100 100 100 100 2.7-4.6 4.1=100 HB2 GLN 91 - H VAL 90 poor 12 51 90 27 3.7-7.5 ~3641=26 HB3 GLU 87 - H VAL 90 far 6 40 15 - 6.4-9.9 HB3 PRO 14 - H ALA 12 far 0 100 0 - 7.4-10.4 HB3 ARG 26 - H ALA 12 far 0 99 0 - 8.6-33.5 HB3 ARG 26 - H VAL 90 far 0 51 0 - 9.8-56.7 HB2 ARG 26 - H ALA 12 far 0 98 0 - 10.0-34.7 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 = 0.74: HA ARG 70 + H LYS 73 OK 74 100 100 74 3.2-4.7 15061/787=45...(10) HA ARG 66 - H LYS 73 far 0 71 0 - 7.6-9.7 HB2 SER 22 - H LYS 73 far 0 98 0 - 8.9-16.5 Reference assignment not found: HA LYS 73 - H LYS 73 Violated in 15 structures by 0.25 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 - 6.0-20.2 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 3 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 - 6.0-20.2 H LEU 51 - HD22 ASN 80 far 0 93 0 - 8.4-29.6 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 3 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 - 6.0-20.2 H LEU 51 - HD22 ASN 80 far 0 93 0 - 8.4-29.6 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 3 assignments used, quality = 1.00: HB2 ASN 80 + HD22 ASN 80 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 49 - HD22 ASN 80 far 3 65 5 - 3.3-31.0 HB2 ASN 80 - HD22 ASN 74 far 0 97 0 - 7.1-20.9 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 2 assignments used, quality = 1.00: HB2 ASN 80 + HD21 ASN 80 OK 100 100 100 100 2.1-3.6 3.5=100 HB3 ASN 49 - HD21 ASN 80 far 4 78 5 - 4.5-29.5 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 10 assignments used, quality = 0.30: QB ALA 77 + HD21 ASN 80 OK 30 98 60 50 3.1-9.8 6021/1.7=25, 5874/3.5=20 QB ALA 78 - HD21 ASN 80 poor 17 100 30 58 5.0-8.5 5874/3.5=29, 5879/3.5=16...(4) HG2 LYS 83 - HD21 ASN 80 lone 5 90 30 20 4.0-15.2 6041/4.3=8, 5874/3.5=6 HG3 LYS 75 - HD21 ASN 80 far 0 100 0 - 6.9-17.9 HG3 LYS 73 - HD21 ASN 80 far 0 100 0 - 7.0-19.3 HG2 LYS 75 - HD21 ASN 80 far 0 100 0 - 7.7-17.8 HG2 LYS 85 - HD21 ASN 80 far 0 99 0 - 7.8-19.4 QB ALA 53 - HD21 ASN 80 far 0 99 0 - 8.2-28.2 HG3 ARG 69 - HD21 ASN 80 far 0 99 0 - 8.3-21.3 HB3 ARG 69 - HD21 ASN 80 far 0 97 0 - 8.7-20.7 Violated in 15 structures by 1.57 A. Peak 6020 from nnoeabs.peaks (0.92, 7.55, 112.69 ppm; 4.66 A): 0 out of 5 assignments used, quality = 0.00: QG2 VAL 76 - HD21 ASN 80 poor 20 100 20 - 2.4-10.8 QG1 VAL 76 - HD21 ASN 80 poor 20 100 20 - 4.9-11.7 QD2 LEU 62 - HD21 ASN 80 far 0 96 0 - 6.7-24.5 QG2 VAL 41 - HD21 ASN 80 far 0 89 0 - 9.2-17.8 QG2 ILE 40 - HD21 ASN 80 far 0 96 0 - 9.2-18.9 Violated in 16 structures by 1.87 A. Peak 6021 from nnoeabs.peaks (1.38, 6.89, 112.69 ppm; 5.14 A): 3 out of 19 assignments used, quality = 0.78: QB ALA 77 + HD22 ASN 74 OK 55 94 70 84 2.7-9.6 16040/4.4=72...(4) QB ALA 77 + HD22 ASN 80 OK 38 98 55 70 4.4-10.8 6019/1.7=46, 5874/3.5=20...(4) QB ALA 78 + HD22 ASN 80 OK 23 100 35 66 5.5-9.1 5874/3.5=29, 6019/1.7=27...(5) HG3 LYS 75 - HD22 ASN 74 poor 19 96 20 - 3.4-11.1 HG2 LYS 83 - HD22 ASN 80 poor 18 90 20 - 3.1-16.2 HG3 LYS 73 - HD22 ASN 74 far 15 97 15 - 5.9-10.4 HG3 LYS 75 - HD22 ASN 80 far 5 100 5 - 5.9-19.4 HG2 LYS 75 - HD22 ASN 74 lone 5 96 25 19 3.8-10.4 5057/3.5=8, 5058/3.5=6 QB ALA 78 - HD22 ASN 74 lone 1 97 35 2 3.3-13.0 QB ALA 20 - HD22 ASN 74 far 0 95 0 - 6.7-22.6 HG3 LYS 73 - HD22 ASN 80 far 0 100 0 - 6.9-20.4 QB ALA 53 - HD22 ASN 80 far 0 99 0 - 6.9-29.4 HG2 LYS 75 - HD22 ASN 80 far 0 100 0 - 7.0-19.2 HG2 LYS 85 - HD22 ASN 80 far 0 99 0 - 7.3-21.1 QB ALA 16 - HD22 ASN 74 far 0 66 0 - 7.6-30.1 HB3 ARG 69 - HD22 ASN 80 far 0 97 0 - 8.6-21.1 HG3 ARG 69 - HD22 ASN 80 far 0 99 0 - 9.0-21.7 HG3 ARG 69 - HD22 ASN 74 far 0 95 0 - 9.2-15.4 HB3 ARG 69 - HD22 ASN 74 far 0 93 0 - 9.5-14.8 Violated in 7 structures by 0.25 A. Peak 6022 from nnoeabs.peaks (0.92, 6.89, 112.69 ppm; 4.34 A): 0 out of 10 assignments used, quality = 0.00: QG2 VAL 76 - HD22 ASN 80 poor 20 100 20 - 3.1-11.5 QG2 VAL 76 - HD22 ASN 74 far 5 97 5 - 5.6-10.0 QG1 VAL 76 - HD22 ASN 80 lone 5 100 30 16 4.9-12.1 5990/3.5=10, 5854/6021=3 QG1 VAL 76 - HD22 ASN 74 far 0 97 0 - 6.1-9.9 QG2 VAL 41 - HD22 ASN 74 far 0 83 0 - 6.7-10.2 QD2 LEU 62 - HD22 ASN 80 far 0 96 0 - 6.7-25.5 QG2 VAL 90 - HD22 ASN 74 far 0 79 0 - 9.0-35.5 QG2 VAL 41 - HD22 ASN 80 far 0 89 0 - 9.2-18.9 QG1 VAL 90 - HD22 ASN 74 far 0 81 0 - 9.4-37.0 QG2 ILE 40 - HD22 ASN 80 far 0 96 0 - 9.6-19.6 Violated in 16 structures by 1.46 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 2.1-3.6 3.5=100 HB3 ASN 74 - HD21 ASN 80 far 0 63 0 - 5.9-17.5 Violated in 0 structures by 0.00 A. Peak 6024 from nnoeabs.peaks (2.76, 6.89, 112.69 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 80 + HD22 ASN 80 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 66 66 100 100 2.3-4.1 3.5=100 HB3 ASN 74 - HD22 ASN 80 far 0 71 0 - 6.0-18.1 HB3 ASN 80 - HD22 ASN 74 far 0 97 0 - 6.6-21.4 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 = 0.77: * HA ASN 74 + H ALA 77 OK 77 100 80 96 2.9-9.9 16040/2.9=90...(8) HA ASN 80 - H ALA 77 far 10 99 10 - 4.9-10.5 Violated in 7 structures by 0.85 A. Peak 6056 from nnoeabs.peaks (4.63, 8.31, 123.08 ppm; 5.17 A): 1 out of 2 assignments used, quality = 0.33: HA ASN 80 + H LYS 83 OK 33 97 50 69 3.0-8.9 6055/4.0=52, 6053/4.0=16...(4) HA ASN 74 - H LYS 83 far 0 89 0 - 8.5-22.7 Violated in 16 structures by 1.57 A. Peak 6057 from nnoeabs.peaks (4.47, 8.20, 122.31 ppm; 5.02 A): 1 out of 5 assignments used, quality = 0.71: HA ASP 24 + H ALA 28 OK 71 78 100 91 4.2-6.0 5383/4.6=40, 3739=28...(11) HA TYR 81 - H ARG 84 far 9 92 10 - 5.7-9.6 HA SER 22 - H ARG 84 far 3 65 5 - 6.0-37.0 HA SER 22 - H ALA 28 far 0 50 0 - 7.5-10.0 HA ASP 67 - H ARG 84 far 0 100 0 - 9.7-34.0 Violated in 3 structures by 0.08 A. Peak 6063 from nnoeabs.peaks (2.04, 7.27, 119.22 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: HG2 PRO 44 + H ASP 47 OK 98 98 100 100 1.9-2.3 2.3/4431=75, 1.8/6064=70...(19) HB2 GLU 50 + H ASP 47 OK 79 100 85 93 4.7-7.0 3.9/6130=35, 4510/3.0=32...(15) HB3 GLU 50 - H ASP 47 far 5 100 5 - 5.3-7.4 HB VAL 45 - H ASP 47 far 0 65 0 - 5.6-6.2 HD3 ARG 69 - H ASP 47 far 0 99 0 - 7.3-10.7 HD2 ARG 69 - H ASP 47 far 0 99 0 - 7.4-11.4 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 3.5-4.1 2.3/4431=80, 2.3/4392=56...(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 4 assignments used, quality = 1.00: HA GLN 91 + H GLN 91 OK 100 100 100 100 2.3-2.9 2.9=100 HB THR 88 - H GLN 91 lone 2 93 70 3 5.4-9.8 HA ALA 30 - H GLN 91 far 0 100 0 - 9.0-61.5 HA LEU 29 - H GLN 91 far 0 65 0 - 9.2-59.6 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 2.3-5.6 2.9/129=94, 2.9/130=88...(11) HD3 LYS 39 + H ILE 40 OK 83 83 100 100 4.1-6.0 3.5/129=87, 3.5/130=81...(11) HD2 LYS 39 + H ILE 40 OK 80 81 100 100 3.9-6.1 3.5/129=87, 3.5/130=81...(11) HG LEU 64 - H ILE 40 far 0 78 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 6077 from nnoeabs.peaks (1.40, 7.24, 115.36 ppm; 5.41 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 39 + H ILE 40 OK 100 100 100 100 1.9-5.2 2.9/129=94, 1837/3.6=91...(13) HB3 ARG 69 + H ILE 40 OK 36 99 40 90 5.8-9.1 4302/1936=56...(9) HG3 ARG 69 - H ILE 40 far 11 71 15 - 6.5-9.8 QB ALA 20 - H ILE 40 far 4 73 5 - 6.3-15.6 HG3 LYS 73 - H ILE 40 far 0 93 0 - 8.0-11.7 HG2 LYS 13 - H ILE 40 far 0 78 0 - 8.8-31.9 QB ALA 78 - H ILE 40 far 0 93 0 - 9.4-19.7 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 2 assignments used, quality = 0.66: HA ARG 71 + HD21 ASN 74 OK 66 100 75 89 2.6-7.6 16010/3.5=65...(3) HA VAL 90 - HD21 ASN 74 far 0 100 0 - 7.8-45.4 Violated in 12 structures by 0.84 A. Peak 6079 from nnoeabs.peaks (7.08, 8.04, 122.15 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 81 + H ARG 82 OK 100 100 100 100 2.0-4.3 4.3=100 QD PHE 48 - H ARG 82 far 0 92 0 - 8.5-25.7 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.75, 7.71, 115.23 ppm; 5.02 A): 3 out of 6 assignments used, quality = 0.98: HB ILE 33 + H MET 31 OK 73 85 90 95 4.7-6.9 3.9/5544=57...(9) HB2 LYS 32 + H MET 31 OK 70 73 100 96 4.9-6.2 4.0/89=76, 4.3/5544=53...(5) HB3 LYS 32 + H MET 31 OK 70 73 100 95 5.2-6.5 4.0/89=76, 4.3/5544=53...(4) HG3 ARG 26 - H MET 31 far 0 100 0 - 7.2-9.9 HB3 ARG 17 - H MET 31 far 0 99 0 - 9.2-23.2 HG2 PRO 34 - H MET 31 far 0 97 0 - 10.0-11.0 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 4.5-5.1 4506/3.0=84, 922/4491=67...(11) H ASN 42 - H ASP 47 far 0 99 0 - 9.7-10.5 Violated in 5 structures by 0.03 A. Peak 6138 from nnoeabs.peaks (1.66, 8.09, 121.69 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + H LYS 75 OK 100 100 100 100 1.9-5.5 5.9=63, 3.5/803=54...(21) HD3 LYS 75 + H LYS 75 OK 100 100 100 100 3.1-6.3 5.9=63, 3.5/803=54...(21) HG2 ARG 23 - H LYS 75 far 0 99 0 - 8.7-21.4 HG LEU 29 - H LYS 85 far 0 49 0 - 9.8-42.4 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (4.23, 8.28, 119.06 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.56: HA ALA 77 + H ASN 80 OK 38 100 55 70 3.2-8.1 5859/3.8=44...(4) HA ALA 78 + H ASN 80 OK 29 65 100 44 3.1-5.0 5869/3.8=15, 6046/3.8=13...(5) HA LYS 75 - H ASN 80 far 0 97 0 - 6.4-13.0 HA LYS 83 - H ASN 80 far 0 97 0 - 6.7-11.6 HA LYS 85 - H ASN 80 far 0 100 0 - 7.1-17.4 HA ALA 20 - H ASN 80 far 0 63 0 - 9.5-33.3 Violated in 9 structures by 0.23 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 3 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 - 8.8-12.6 HB3 ARG 26 - HA MET 11 far 0 100 0 - 9.5-33.5 Violated in 0 structures by 0.00 A. Peak 960 from cnoeabs.peaks (2.01, 4.38, 55.13 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 QE MET 31 - HA MET 11 far 0 89 0 - 8.9-30.0 HG3 PRO 14 - HA MET 11 far 0 78 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 963 from cnoeabs.peaks (4.38, 1.88, 32.87 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (1.88, 1.88, 32.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 965 from cnoeabs.peaks (2.01, 1.88, 32.87 ppm; 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 31 - HB2 MET 11 far 0 89 0 - 7.7-30.4 HG3 PRO 14 - HB2 MET 11 far 0 78 0 - 9.3-13.7 HG2 PRO 14 - HB2 MET 11 far 0 78 0 - 9.5-13.5 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 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 967 from cnoeabs.peaks (2.39, 1.88, 32.87 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 968 from cnoeabs.peaks (4.38, 2.01, 32.87 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (1.88, 2.01, 32.87 ppm; 2.99 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 91 - HB VAL 90 far 0 58 0 - 4.8-7.5 HB3 GLU 87 - HB VAL 90 far 0 42 0 - 7.3-12.1 HB3 PRO 14 - HB3 MET 11 far 0 100 0 - 8.4-13.9 HB3 ARG 26 - HB3 MET 11 far 0 100 0 - 9.8-34.2 Violated in 0 structures by 0.00 A. Peak 970 from cnoeabs.peaks (2.01, 2.01, 32.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB VAL 90 + HB VAL 90 OK 58 58 - 100 Peak 971 from cnoeabs.peaks (2.45, 2.01, 32.87 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 972 from cnoeabs.peaks (2.39, 2.01, 32.87 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 973 from cnoeabs.peaks (4.38, 2.45, 31.51 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 974 from cnoeabs.peaks (1.88, 2.45, 31.51 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 14 - HG2 MET 11 far 0 100 0 - 8.4-14.3 HB3 ARG 26 - HG2 MET 11 far 0 100 0 - 9.6-34.8 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 4 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 QE MET 31 - HG2 MET 11 far 0 89 0 - 6.0-29.8 HG3 PRO 14 - HG2 MET 11 far 0 78 0 - 7.6-13.2 HG2 PRO 14 - HG2 MET 11 far 0 78 0 - 7.7-13.4 Violated in 0 structures by 0.00 A. Peak 976 from cnoeabs.peaks (2.45, 2.45, 31.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 977 from cnoeabs.peaks (2.39, 2.45, 31.51 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 978 from cnoeabs.peaks (4.38, 2.39, 31.51 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (1.88, 2.39, 31.51 ppm; 4.68 A): 3 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 68 + HB VAL 65 OK 71 95 75 99 5.4-6.5 ~5964=53, 4704/3.0=42...(20) HB2 ARG 66 + HB VAL 65 OK 42 98 45 95 5.3-6.8 4.0/273=69, ~5244=44...(10) HG12 ILE 40 - HB VAL 65 far 0 83 0 - 6.3-8.5 HB2 LYS 39 - HB VAL 65 far 0 57 0 - 8.7-13.4 HB3 PRO 34 - HB VAL 65 far 0 96 0 - 8.7-11.2 HB3 ARG 26 - HG3 MET 11 far 0 100 0 - 9.0-36.4 HB3 PRO 14 - HG3 MET 11 far 0 100 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (2.01, 2.39, 31.51 ppm; 4.91 A): 3 out of 9 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 + HB VAL 65 OK 90 100 95 95 2.9-6.6 743/273=82, ~6106=21...(10) QE MET 31 + HB VAL 65 OK 35 88 75 53 5.0-7.9 5082/5798=39...(3) HD3 ARG 69 - HB VAL 65 far 0 73 0 - 6.8-11.0 QE MET 31 - HG3 MET 11 far 0 89 0 - 7.0-31.0 HD2 ARG 69 - HB VAL 65 far 0 73 0 - 7.5-10.7 HB3 GLN 79 - HB VAL 65 far 0 95 0 - 8.8-24.7 HG3 PRO 14 - HG3 MET 11 far 0 78 0 - 9.2-14.0 HG2 PRO 14 - HG3 MET 11 far 0 78 0 - 9.3-13.8 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 4 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 32 - HA ALA 12 far 0 100 0 - 5.9-26.8 QB ALA 16 - HA ALA 12 far 0 65 0 - 6.4-12.3 QB ALA 28 - HA ALA 12 far 0 99 0 - 8.9-24.3 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 2.1-2.8 2.9=100 H ALA 28 - QB ALA 16 far 2 37 5 - 5.0-17.4 H SER 22 - QB ALA 16 far 2 34 5 - 4.6-16.2 H ALA 12 - QB ALA 16 far 0 65 0 - 7.8-13.3 H ALA 28 - QB ALA 12 far 0 68 0 - 7.8-26.6 H SER 22 - QB ALA 12 far 0 63 0 - 8.8-28.1 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 13 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 27 47 100 57 3.8-4.9 5.0=34, ~22=27...(5) HA THR 15 - QB ALA 16 poor 20 58 100 34 3.7-4.6 5.0=33 HA GLU 19 - QB ALA 16 far 10 65 15 - 3.9-9.7 HA ALA 20 - QB ALA 16 far 3 65 5 - 3.1-12.3 HA ASP 38 - QB ALA 16 far 2 46 5 - 4.7-19.3 HA LYS 39 - QB ALA 16 far 0 62 0 - 5.6-20.4 HA ALA 20 - QB ALA 12 far 0 100 0 - 5.9-23.7 HA GLU 19 - QB ALA 12 far 0 100 0 - 6.0-20.4 HA ALA 12 - QB ALA 16 far 0 65 0 - 6.4-12.3 HA ARG 17 - QB ALA 12 far 0 83 0 - 6.4-14.7 HA THR 15 - QB ALA 12 far 0 96 0 - 6.6-9.2 HA LYS 39 - QB ALA 12 far 0 99 0 - 9.7-31.0 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 1 assignment used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 100 100 2.8-2.9 3.0=100 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 9 90 10 - 4.4-27.5 HB2 LYS 32 - HA LYS 13 far 0 90 0 - 5.5-25.9 HB3 LYS 39 - HA LEU 43 far 0 90 0 - 5.6-8.4 HB3 LYS 39 - HA LYS 13 far 0 99 0 - 6.1-32.9 HB2 LYS 13 - HA LEU 43 far 0 92 0 - 7.5-35.5 HB ILE 33 - HA LYS 13 far 0 81 0 - 8.2-24.3 HB2 ARG 69 - HA LEU 43 far 0 84 0 - 8.6-11.2 HB3 ARG 82 - HA LEU 43 far 0 62 0 - 9.1-28.0 HB3 LYS 73 - HA LEU 43 far 0 85 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (1.68, 4.54, 54.13 ppm; 4.06 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 13 + HA LYS 13 OK 90 90 100 99 2.2-4.9 5.4=43, 2.9/994=38...(50) HD2 LYS 13 + HA LYS 13 OK 90 90 100 99 2.0-5.5 5.4=43, 2.9/994=38...(50) HG LEU 29 - HA LYS 13 far 0 99 0 - 6.5-25.5 HB3 LYS 13 - HA LEU 43 far 0 92 0 - 7.8-37.3 HD2 LYS 13 - HA LEU 43 far 0 79 0 - 9.6-35.3 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 2.4-4.2 3.9=81, 470/3.0=44...(16) HB3 LEU 43 + HA LEU 43 OK 82 82 100 100 2.4-2.7 3.0=100 QB ALA 30 - HA LYS 13 far 4 78 5 - 5.1-22.4 HG3 LYS 39 - HA LEU 43 far 4 73 5 - 4.9-7.9 HG3 LYS 39 - HA LYS 13 far 0 85 0 - 7.5-32.0 HB3 ARG 69 - HA LEU 43 far 0 50 0 - 8.1-11.9 HB3 LEU 43 - HA LYS 13 far 0 93 0 - 8.5-35.1 HG12 ILE 33 - HA LYS 13 far 0 81 0 - 9.1-25.0 HG2 LYS 13 - HA LEU 43 far 0 92 0 - 9.3-37.6 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 98 100 100 98 2.2-4.2 3.9=85, 471/3.0=43...(16) HB3 LEU 43 + HA LEU 43 OK 73 73 100 100 2.4-2.7 3.0=100 QB ALA 30 - HA LYS 13 far 5 97 5 - 5.1-22.4 HG2 LYS 73 - HA LEU 43 far 0 67 0 - 7.1-12.7 HB3 LEU 43 - HA LYS 13 far 0 85 0 - 8.5-35.1 HG12 ILE 33 - HA LYS 13 far 0 96 0 - 9.1-25.0 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (1.67, 4.54, 54.13 ppm; 4.71 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.2-4.9 5.4=66, 2.9/994=48...(50) * HD2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.0-5.5 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 HG LEU 29 - HA LYS 13 far 0 98 0 - 6.5-25.5 HB3 LYS 13 - HA LEU 43 far 0 79 0 - 7.8-37.3 HD2 LYS 13 - HA LEU 43 far 0 92 0 - 9.6-35.3 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 9 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.7-4.0 3.9=100 H LEU 86 + HB2 LYS 85 OK 81 81 100 100 2.0-4.6 4.6=95, 385/3.0=88...(7) H ASN 80 - HB2 LYS 83 far 12 83 15 - 5.1-12.5 H ASN 80 - HB3 LYS 73 far 9 90 10 - 3.8-16.2 H LEU 86 - HB2 LYS 83 far 0 85 0 - 7.4-11.4 H LYS 13 - HB3 LYS 39 far 0 99 0 - 7.5-35.0 H ASN 80 - HB2 LYS 85 far 0 79 0 - 7.9-18.9 H ASN 80 - HB3 LYS 75 far 0 86 0 - 8.4-14.1 H LEU 86 - HB3 LYS 39 far 0 97 0 - 9.5-38.5 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 9 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HA LEU 43 - HB3 LYS 39 far 10 97 10 - 5.6-8.4 HA LYS 13 - HB3 LYS 39 far 5 99 5 - 6.1-32.9 HA PRO 44 - HB3 LYS 73 far 0 57 0 - 7.4-11.6 HA LEU 43 - HB2 LYS 13 far 0 99 0 - 7.5-35.5 HA PRO 44 - HB3 LYS 75 far 0 54 0 - 7.7-18.2 HA PRO 44 - HB2 LYS 83 far 0 51 0 - 8.9-32.5 HA LEU 43 - HB3 LYS 73 far 0 92 0 - 9.3-12.8 HA PRO 44 - HB3 LYS 39 far 0 63 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1001 from cnoeabs.peaks (1.79, 1.79, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 97 97 - 100 HB3 LYS 75 + HB3 LYS 75 OK 91 91 - 100 HB3 LYS 73 + HB3 LYS 73 OK 87 87 - 100 HB2 LYS 83 + HB2 LYS 83 OK 85 85 - 100 HB2 LYS 85 + HB2 LYS 85 OK 75 75 - 100 Peak 1002 from cnoeabs.peaks (1.68, 1.79, 32.38 ppm; 2.40 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 13 + HB2 LYS 13 OK 76 90 100 84 2.3-3.7 3.5=32, 1054/3.0=14...(31) HD3 LYS 13 + HB2 LYS 13 OK 64 90 85 84 2.1-4.2 3.5=32, 1044/3.0=15...(31) HD2 LYS 75 + HB3 LYS 75 OK 55 76 90 81 2.2-4.2 3.5=32, 3118/1.8=16...(35) HD3 LYS 75 + HB3 LYS 75 OK 43 76 70 81 2.1-4.2 3.5=32, 3128/1.8=16...(35) HG LEU 29 - HB2 LYS 13 far 0 99 0 - 4.7-27.7 HB2 ARG 82 - HB2 LYS 83 far 0 79 0 - 4.9-6.6 HD2 LYS 75 - HB3 LYS 73 far 0 80 0 - 4.9-9.8 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 5.4-8.0 HD3 LYS 75 - HB3 LYS 73 far 0 80 0 - 5.4-10.6 HB3 LYS 13 - HB3 LYS 39 far 0 99 0 - 5.7-33.7 HG2 ARG 23 - HB3 LYS 75 far 0 85 0 - 6.8-24.9 HG2 ARG 70 - HB3 LYS 75 far 0 54 0 - 7.0-13.6 HD2 LYS 13 - HB3 LYS 39 far 0 88 0 - 7.2-32.0 HB2 ARG 82 - HB2 LYS 85 far 0 75 0 - 7.8-12.7 HD3 LYS 13 - HB3 LYS 39 far 0 88 0 - 7.8-32.9 HG2 ARG 70 - HB2 LYS 83 far 0 51 0 - 8.0-27.2 HB2 ARG 82 - HB3 LYS 73 far 0 86 0 - 8.0-21.7 HG2 ARG 70 - HB2 LYS 85 far 0 48 0 - 9.2-32.3 HG3 ARG 66 - HB3 LYS 73 far 0 85 0 - 9.7-14.2 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 14 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 QB ALA 30 - HB2 LYS 13 far 12 78 15 - 4.0-21.6 HB3 ARG 69 - HB3 LYS 73 far 3 52 5 - 3.4-8.2 HG2 LYS 13 - HB3 LYS 39 far 0 99 0 - 5.2-34.3 HG3 LYS 39 - HB2 LYS 13 far 0 85 0 - 5.3-31.2 HB3 LEU 43 - HB3 LYS 39 far 0 91 0 - 5.5-7.8 HB3 ARG 69 - HB3 LYS 75 far 0 49 0 - 6.2-14.1 HG13 ILE 89 - HB2 LYS 85 far 0 71 0 - 7.2-14.5 HB3 LEU 43 - HB2 LYS 13 far 0 93 0 - 7.4-34.4 HG12 ILE 33 - HB2 LYS 13 far 0 81 0 - 8.0-25.0 HG12 ILE 33 - HB3 LYS 39 far 0 78 0 - 8.3-12.8 HB3 ARG 69 - HB3 LYS 39 far 0 57 0 - 8.4-12.5 HB3 LEU 43 - HB3 LYS 73 far 0 85 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (1.46, 1.79, 32.38 ppm; 3.29 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 69 69 100 100 2.3-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 poor 20 66 30 - 2.0-9.4 QB ALA 30 - HB2 LYS 13 far 14 97 15 - 4.0-21.6 HB3 LEU 43 - HB3 LYS 39 far 0 82 0 - 5.5-7.8 HG2 LYS 73 - HB2 LYS 83 far 0 63 0 - 5.7-26.0 HG3 LYS 85 - HB2 LYS 83 far 0 87 0 - 5.7-11.1 HG3 LYS 13 - HB3 LYS 39 far 0 99 0 - 6.0-33.4 HG13 ILE 89 - HB2 LYS 85 far 0 69 0 - 7.2-14.5 HB3 LEU 43 - HB2 LYS 13 far 0 85 0 - 7.4-34.4 HG12 ILE 33 - HB2 LYS 13 far 0 96 0 - 8.0-25.0 HG12 ILE 33 - HB3 LYS 39 far 0 93 0 - 8.3-12.8 HB3 LEU 52 - HB3 LYS 39 far 0 86 0 - 9.1-14.0 HB3 LEU 43 - HB3 LYS 73 far 0 76 0 - 9.2-13.3 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 = 1.00: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 * HD2 LYS 13 + HB2 LYS 13 OK 89 100 100 89 2.3-3.7 3.5=38, 1054/3.0=18...(34) HD3 LYS 13 + HB2 LYS 13 OK 80 100 90 89 2.1-4.2 3.5=38, 1054/3.0=18...(34) HD2 LYS 75 + HB3 LYS 75 OK 75 91 95 87 2.2-4.2 3.5=38, 3128/1.8=20...(35) HD3 LYS 75 + HB3 LYS 75 OK 67 91 85 87 2.1-4.2 3.5=38, 3128/1.8=20...(35) HG LEU 29 - HB2 LYS 13 far 0 98 0 - 4.7-27.7 HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.9-6.6 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 4.9-9.8 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 5.4-10.6 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 5.7-33.7 HG2 ARG 23 - HB3 LYS 75 far 0 90 0 - 6.8-24.9 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.2-32.0 HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 7.8-12.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.8-32.9 HB2 ARG 82 - HB3 LYS 73 far 0 52 0 - 8.0-21.7 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 = 1.00: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 HD2 LYS 13 + HB2 LYS 13 OK 89 100 100 89 2.3-3.7 3.5=38, 1054/3.0=18...(34) * HD3 LYS 13 + HB2 LYS 13 OK 80 100 90 89 2.1-4.2 3.5=38, 1054/3.0=18...(34) HD2 LYS 75 + HB3 LYS 75 OK 75 91 95 87 2.2-4.2 3.5=38, 3128/1.8=20...(35) HD3 LYS 75 + HB3 LYS 75 OK 67 91 85 87 2.1-4.2 3.5=38, 3128/1.8=20...(35) HG LEU 29 - HB2 LYS 13 far 0 98 0 - 4.7-27.7 HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.9-6.6 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 4.9-9.8 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 5.4-10.6 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 5.7-33.7 HG2 ARG 23 - HB3 LYS 75 far 0 90 0 - 6.8-24.9 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.2-32.0 HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 7.8-12.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.8-32.9 HB2 ARG 82 - HB3 LYS 73 far 0 52 0 - 8.0-21.7 Violated in 0 structures by 0.00 A. Peak 1009 from cnoeabs.peaks (8.27, 1.68, 32.38 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1010 from cnoeabs.peaks (4.54, 1.68, 32.38 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 43 - HB3 LYS 13 far 0 99 0 - 7.8-37.3 Violated in 0 structures by 0.00 A. Peak 1011 from cnoeabs.peaks (1.79, 1.68, 32.38 ppm; 2.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HB3 LYS 13 far 0 99 0 - 5.7-33.7 HB3 LYS 32 - HB3 LYS 13 far 0 90 0 - 6.0-30.0 HB2 LYS 32 - HB3 LYS 13 far 0 90 0 - 6.7-28.5 HB ILE 33 - HB3 LYS 13 far 0 81 0 - 8.0-26.5 HB2 ARG 54 - HB3 LYS 13 far 0 73 0 - 9.0-37.5 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 5 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 poor 16 78 20 - 3.6-22.1 HG3 LYS 39 - HB3 LYS 13 far 0 85 0 - 6.4-32.9 HB3 LEU 43 - HB3 LYS 13 far 0 93 0 - 7.6-36.2 HG12 ILE 33 - HB3 LYS 13 far 0 81 0 - 7.7-25.2 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 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 30 - HB3 LYS 13 poor 19 97 20 - 3.6-22.1 HB3 LEU 43 - HB3 LYS 13 far 0 85 0 - 7.6-36.2 HG12 ILE 33 - HB3 LYS 13 far 0 96 0 - 7.7-25.2 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 2.4-4.2 3.9=100 HA LEU 43 - HG2 LYS 13 far 0 99 0 - 9.3-37.6 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 6 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 32 - HG2 LYS 13 far 5 90 5 - 3.8-28.5 HB2 LYS 32 - HG2 LYS 13 far 5 90 5 - 4.9-26.9 HB3 LYS 39 - HG2 LYS 13 far 0 99 0 - 5.2-34.3 HB2 ARG 54 - HG2 LYS 13 far 0 73 0 - 8.3-37.7 HB ILE 33 - HG2 LYS 13 far 0 81 0 - 9.0-25.8 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 2.3-3.0 2.9=100 HG LEU 29 - HG2 LYS 13 far 0 99 0 - 5.6-26.3 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 4 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 - 4.0-23.0 HB3 LEU 43 - HG2 LYS 13 far 0 85 0 - 8.7-36.4 HG12 ILE 33 - HG2 LYS 13 far 0 96 0 - 9.8-26.5 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 2.3-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HG LEU 29 - HG2 LYS 13 far 0 98 0 - 5.6-26.3 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 2.3-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HG LEU 29 - HG2 LYS 13 far 0 98 0 - 5.6-26.3 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (2.97, 1.42, 24.46 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-4.2 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 39 - HG2 LYS 13 far 5 97 5 - 3.8-32.4 HE3 LYS 39 - HG2 LYS 13 far 5 96 5 - 4.8-34.1 HE2 LYS 32 - HG2 LYS 13 far 5 93 5 - 4.4-29.4 HE3 LYS 32 - HG2 LYS 13 far 0 95 0 - 5.6-30.5 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (2.96, 1.42, 24.46 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-4.2 3.8=100 HE2 LYS 39 - HG2 LYS 13 far 5 97 5 - 3.8-32.4 HE2 LYS 32 - HG2 LYS 13 far 5 95 5 - 4.4-29.4 HE3 LYS 39 - HG2 LYS 13 far 5 95 5 - 4.8-34.1 HE3 LYS 32 - HG2 LYS 13 far 0 96 0 - 5.6-30.5 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 4 43 10 - 5.8-10.6 HA LEU 43 - HG2 LYS 73 far 0 73 0 - 7.1-12.7 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 15 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 85 + HG3 LYS 85 OK 92 92 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 69 69 100 100 2.3-3.0 2.9=100 HB3 ARG 84 - HG3 LYS 85 far 9 92 10 - 3.9-8.5 HB3 LYS 75 - HG2 LYS 73 poor 9 77 30 38 2.0-9.4 4.0/5849=13, 2982=4...(18) HB3 LYS 32 - HG3 LYS 13 far 0 90 0 - 5.6-30.3 HB2 LYS 83 - HG2 LYS 73 far 0 73 0 - 5.7-26.0 HB2 LYS 83 - HG3 LYS 85 far 0 96 0 - 5.7-11.1 HB2 ARG 69 - HG2 LYS 73 far 0 68 0 - 5.8-8.9 HB3 LYS 39 - HG3 LYS 13 far 0 99 0 - 6.0-33.4 HB2 LYS 32 - HG3 LYS 13 far 0 90 0 - 6.2-28.7 HB3 ARG 82 - HG3 LYS 85 far 0 70 0 - 7.9-14.7 HB3 ARG 82 - HG2 LYS 73 far 0 49 0 - 8.4-22.9 HB ILE 33 - HG3 LYS 13 far 0 81 0 - 9.4-26.4 HB2 ARG 54 - HG3 LYS 13 far 0 73 0 - 9.9-37.3 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 11 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD2 LYS 75 - HG2 LYS 73 far 9 62 15 - 4.6-11.7 HD3 LYS 75 - HG2 LYS 73 far 6 62 10 - 4.3-12.4 HG2 ARG 70 - HG2 LYS 73 far 0 43 0 - 5.7-9.8 HG LEU 29 - HG3 LYS 13 far 0 99 0 - 6.3-27.6 HB2 ARG 82 - HG3 LYS 85 far 0 92 0 - 6.6-14.0 HB3 LEU 64 - HG3 LYS 85 far 0 87 0 - 8.8-42.3 HB2 ARG 82 - HG2 LYS 73 far 0 68 0 - 8.8-24.0 HG2 ARG 70 - HG3 LYS 85 far 0 63 0 - 9.4-33.4 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 9 assignments used, quality = 1.00: * HG2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 30 - HG3 LYS 13 far 12 78 15 - 2.4-21.8 HB3 ARG 69 - HG2 LYS 73 far 0 39 0 - 4.7-8.8 HG13 ILE 89 - HG3 LYS 85 far 0 87 0 - 5.9-14.7 HG3 LYS 39 - HG3 LYS 13 far 0 85 0 - 7.3-32.6 HB3 LEU 43 - HG2 LYS 73 far 0 67 0 - 7.5-13.4 HG12 ILE 33 - HG3 LYS 13 far 0 81 0 - 8.7-25.5 HG3 LYS 39 - HG2 LYS 73 far 0 59 0 - 9.0-15.2 HB3 LEU 43 - HG3 LYS 13 far 0 93 0 - 10.0-35.6 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: HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1054=35...(51) * HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1044=35...(51) HB3 LYS 13 + HG3 LYS 13 OK 89 90 100 99 2.3-3.0 3.0=93, 3.9/471=20...(22) HD3 LYS 75 - HG2 LYS 73 far 4 77 5 - 4.3-12.4 HD2 LYS 75 - HG2 LYS 73 far 0 77 0 - 4.6-11.7 HG LEU 29 - HG3 LYS 13 far 0 98 0 - 6.3-27.6 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 6.6-14.0 HB2 ARG 82 - HG2 LYS 73 far 0 39 0 - 8.8-24.0 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: * HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1054=35...(51) HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=95, 1.8/1044=35...(51) HB3 LYS 13 + HG3 LYS 13 OK 89 90 100 99 2.3-3.0 3.0=93, 3.9/471=20...(22) HD3 LYS 75 - HG2 LYS 73 far 4 77 5 - 4.3-12.4 HD2 LYS 75 - HG2 LYS 73 far 0 77 0 - 4.6-11.7 HG LEU 29 - HG3 LYS 13 far 0 98 0 - 6.3-27.6 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 6.6-14.0 HB2 ARG 82 - HG2 LYS 73 far 0 39 0 - 8.8-24.0 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 2.2-4.2 3.8=100 HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.4-4.2 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 67 67 100 100 2.2-4.1 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 65 65 100 100 2.1-3.6 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 9 93 10 - 4.7-31.2 HE3 LYS 75 - HG2 LYS 73 far 7 74 10 - 5.1-12.0 HE2 LYS 75 - HG2 LYS 73 far 4 75 5 - 4.6-12.0 HE2 LYS 39 - HG3 LYS 13 far 0 97 0 - 5.5-31.7 HE3 LYS 32 - HG3 LYS 13 far 0 95 0 - 6.2-32.3 HE3 LYS 39 - HG3 LYS 13 far 0 96 0 - 6.4-33.4 HB3 TYR 81 - HG2 LYS 73 far 0 69 0 - 6.9-18.3 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 2.4-4.2 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 68 68 100 100 2.2-4.1 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 67 67 100 100 2.1-3.6 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 9 95 10 - 4.7-31.2 HE3 LYS 75 - HG2 LYS 73 far 7 75 10 - 5.1-12.0 HE2 LYS 75 - HG2 LYS 73 far 4 75 5 - 4.6-12.0 HE2 LYS 39 - HG3 LYS 13 far 0 97 0 - 5.5-31.7 HE3 LYS 32 - HG3 LYS 13 far 0 96 0 - 6.2-32.3 HE3 LYS 39 - HG3 LYS 13 far 0 95 0 - 6.4-33.4 HB3 TYR 81 - HG2 LYS 73 far 0 68 0 - 6.9-18.3 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 5 assignments used, quality = 1.00: HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.9 5.4=74, 994/2.9=50...(50) * HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.0-5.5 5.4=74, 994/2.9=50...(50) HA PRO 44 - HD2 LYS 75 far 0 65 0 - 7.7-17.9 HA PRO 44 - HD3 LYS 75 far 0 65 0 - 7.9-19.0 HA LEU 43 - HD2 LYS 13 far 0 99 0 - 9.6-35.3 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 22 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.2 3.5=100 * HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 96 5 - 4.9-9.8 HB3 LYS 32 - HD3 LYS 13 far 5 90 5 - 4.6-28.8 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 5.4-27.2 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 5.4-10.6 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 6.1-29.2 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 7.1-27.6 HB2 ARG 69 - HD2 LYS 75 far 0 94 0 - 7.1-15.7 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 7.2-32.0 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 7.8-32.9 HB ILE 33 - HD2 LYS 13 far 0 81 0 - 8.0-25.4 HB2 ARG 54 - HD2 LYS 13 far 0 73 0 - 8.1-35.1 HB ILE 33 - HD3 LYS 13 far 0 81 0 - 8.1-25.3 HB2 ARG 69 - HD3 LYS 75 far 0 94 0 - 8.7-15.6 HB2 PRO 34 - HD3 LYS 13 far 0 97 0 - 9.2-29.5 HB3 ARG 84 - HD2 LYS 75 far 0 94 0 - 9.2-26.6 HB2 ARG 54 - HD3 LYS 13 far 0 73 0 - 9.6-36.1 HB3 ARG 84 - HD3 LYS 75 far 0 94 0 - 9.6-27.4 HB3 ARG 82 - HD2 LYS 75 far 0 73 0 - 9.9-22.6 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 11 assignments used, quality = 1.00: HG2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1036=22...(51) * HG2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1035=22...(51) QB ALA 30 - HD3 LYS 13 far 12 78 15 - 2.6-22.1 QB ALA 30 - HD2 LYS 13 far 12 78 15 - 3.4-21.6 HB3 ARG 69 - HD2 LYS 75 far 0 60 0 - 6.1-15.2 HB3 ARG 69 - HD3 LYS 75 far 0 60 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 85 0 - 7.6-31.0 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.7-31.9 HG12 ILE 33 - HD3 LYS 13 far 0 81 0 - 8.8-25.6 HG12 ILE 33 - HD2 LYS 13 far 0 81 0 - 8.8-24.5 HB3 LEU 43 - HD2 LYS 13 far 0 93 0 - 9.0-34.0 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 9 assignments used, quality = 1.00: HG3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(47) * HG3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(47) QB ALA 30 - HD3 LYS 13 far 14 97 15 - 2.6-22.1 QB ALA 30 - HD2 LYS 13 far 14 97 15 - 3.4-21.6 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 4.3-12.4 HG2 LYS 73 - HD2 LYS 75 far 0 78 0 - 4.6-11.7 HG12 ILE 33 - HD3 LYS 13 far 0 96 0 - 8.8-25.6 HG12 ILE 33 - HD2 LYS 13 far 0 96 0 - 8.8-24.5 HB3 LEU 43 - HD2 LYS 13 far 0 85 0 - 9.0-34.0 Violated in 0 structures by 0.00 A. Peak 1045 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Peak 1046 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 1047 from cnoeabs.peaks (2.97, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 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) * HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 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, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 92 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 93 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 93 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 96 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 96 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 1048 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: * HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 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) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 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 93 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 93 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 94 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 94 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 94 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 94 0 - 9.5-17.2 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 5 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.9 5.4=74, 994/2.9=50...(50) HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.0-5.5 5.4=74, 994/2.9=50...(50) HA PRO 44 - HD2 LYS 75 far 0 65 0 - 7.7-17.9 HA PRO 44 - HD3 LYS 75 far 0 65 0 - 7.9-19.0 HA LEU 43 - HD2 LYS 13 far 0 99 0 - 9.6-35.3 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 22 assignments used, quality = 1.00: * HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 96 5 - 4.9-9.8 HB3 LYS 32 - HD3 LYS 13 far 5 90 5 - 4.6-28.8 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 5.4-27.2 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 5.4-10.6 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 6.1-29.2 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 7.1-27.6 HB2 ARG 69 - HD2 LYS 75 far 0 94 0 - 7.1-15.7 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 7.2-32.0 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 7.8-32.9 HB ILE 33 - HD2 LYS 13 far 0 81 0 - 8.0-25.4 HB2 ARG 54 - HD2 LYS 13 far 0 73 0 - 8.1-35.1 HB ILE 33 - HD3 LYS 13 far 0 81 0 - 8.1-25.3 HB2 ARG 69 - HD3 LYS 75 far 0 94 0 - 8.7-15.6 HB2 PRO 34 - HD3 LYS 13 far 0 97 0 - 9.2-29.5 HB3 ARG 84 - HD2 LYS 75 far 0 94 0 - 9.2-26.6 HB2 ARG 54 - HD3 LYS 13 far 0 73 0 - 9.6-36.1 HB3 ARG 84 - HD3 LYS 75 far 0 94 0 - 9.6-27.4 HB3 ARG 82 - HD2 LYS 75 far 0 73 0 - 9.9-22.6 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 11 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1036=22...(51) HG2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=88, 1.8/1035=22...(51) QB ALA 30 - HD3 LYS 13 far 12 78 15 - 2.6-22.1 QB ALA 30 - HD2 LYS 13 far 12 78 15 - 3.4-21.6 HB3 ARG 69 - HD2 LYS 75 far 0 60 0 - 6.1-15.2 HB3 ARG 69 - HD3 LYS 75 far 0 60 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 85 0 - 7.6-31.0 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.7-31.9 HG12 ILE 33 - HD3 LYS 13 far 0 81 0 - 8.8-25.6 HG12 ILE 33 - HD2 LYS 13 far 0 81 0 - 8.8-24.5 HB3 LEU 43 - HD2 LYS 13 far 0 93 0 - 9.0-34.0 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 9 assignments used, quality = 1.00: * HG3 LYS 13 + HD3 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(47) HG3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 2.9=84, 1035/1.8=21...(47) QB ALA 30 - HD3 LYS 13 far 14 97 15 - 2.6-22.1 QB ALA 30 - HD2 LYS 13 far 14 97 15 - 3.4-21.6 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 4.3-12.4 HG2 LYS 73 - HD2 LYS 75 far 0 78 0 - 4.6-11.7 HG12 ILE 33 - HD3 LYS 13 far 0 96 0 - 8.8-25.6 HG12 ILE 33 - HD2 LYS 13 far 0 96 0 - 8.8-24.5 HB3 LEU 43 - HD2 LYS 13 far 0 85 0 - 9.0-34.0 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 1056 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Peak 1057 from cnoeabs.peaks (2.97, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 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) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) * HE2 LYS 13 + HD3 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, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 92 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 93 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 93 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 96 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 96 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 1058 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.3-3.0 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) HE2 LYS 13 + HD2 LYS 13 OK 97 100 100 97 2.4-3.0 2.9=81, 3.8/1044=15...(34) HE2 LYS 13 + HD3 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 93 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 93 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD2 LYS 75 OK 93 99 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 93 99 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 9 93 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 94 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 94 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 94 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 94 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (1.79, 2.97, 41.89 ppm; 3.47 A): 12 out of 54 assignments used, quality = 1.00: HB2 LYS 13 + HE3 LYS 13 OK 95 100 100 95 2.1-4.8 5.2=29, 3.0/1064=17...(37) HB3 LYS 75 + HE3 LYS 75 OK 93 97 100 96 2.4-4.7 5.0=34, ~3128=16...(36) HB3 LYS 39 + HE2 LYS 39 OK 86 92 95 98 3.4-5.0 4.7=41, 2.9/1906=24...(40) HB3 LYS 39 + HE3 LYS 39 OK 84 90 95 98 1.9-5.0 4.7=41, 2.9/1906=24...(40) * HB2 LYS 13 + HE2 LYS 13 OK 81 100 85 96 2.2-5.4 5.2=29, 3.0/1064=17...(37) HB3 LYS 75 + HE2 LYS 75 OK 79 97 85 96 3.2-5.4 5.0=34, ~3128=16...(36) HB3 LYS 32 + HE3 LYS 32 OK 76 78 100 97 2.4-4.6 4.6=44, 2.9/1638=21...(43) HB2 LYS 32 + HE3 LYS 32 OK 76 78 100 97 2.5-4.7 4.6=44, 2.9/1638=21...(43) HB3 LYS 32 + HE2 LYS 32 OK 74 76 100 97 2.0-4.8 4.6=44, 2.9/1638=21...(43) HB3 LYS 73 + HE3 LYS 73 OK 71 81 95 93 3.1-5.1 4.7=41, ~3020=16...(30) HB2 LYS 32 + HE2 LYS 32 OK 71 76 95 97 2.0-5.3 4.6=44, 2.9/1638=21...(43) HB3 LYS 73 + HE2 LYS 73 OK 65 82 85 92 2.6-5.4 4.7=41, ~3020=16...(30) HB3 LYS 75 - HE3 LYS 73 poor 18 88 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 90 30 28 2.3-11.0 2982/3.7=3, 2985/3.0=2...(18) HB2 LYS 13 - HE2 LYS 39 far 5 95 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 39 far 5 93 5 - 4.6-32.3 HB2 LYS 13 - HE3 LYS 32 far 5 91 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 4 90 5 - 4.8-30.7 HB2 ARG 69 - HE2 LYS 73 far 4 81 5 - 4.9-12.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 86 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 90 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 90 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 85 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.4-29.6 HB2 ARG 69 - HE3 LYS 73 far 0 79 0 - 6.6-11.3 HB2 ARG 54 - HE3 LYS 39 far 0 63 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 87 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 60 0 - 7.2-22.2 HB3 LYS 39 - HE3 LYS 13 far 0 99 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 85 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 59 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 73 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 87 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 68 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 67 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 89 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 8.1-27.8 HB3 LYS 39 - HE2 LYS 13 far 0 99 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 81 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 62 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 73 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 69 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 89 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 64 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 86 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 86 0 - 9.7-16.0 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 44 assignments used, quality = 1.00: HD2 LYS 13 + HE2 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 2.3-3.0 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, 1044/3.8=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 75 + HE2 LYS 75 OK 76 83 100 92 2.2-3.0 2.9=78, 1.8/1048=8...(25) HD2 LYS 75 + HE2 LYS 75 OK 76 83 100 92 2.4-3.0 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 2.4-3.0 2.9=78, 1.8/3124=8...(25) HB3 LYS 13 + HE3 LYS 13 OK 56 100 65 86 2.2-5.5 5.2=14, 3.0/1064=11...(50) * HB3 LYS 13 + HE2 LYS 13 OK 35 100 40 86 2.2-5.5 5.2=14, 3.0/1064=11...(50) HD2 LYS 75 - HE3 LYS 73 far 7 73 10 - 4.0-12.6 HG2 ARG 23 - HE2 LYS 75 far 5 92 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 91 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 4 75 5 - 3.4-14.8 HD3 LYS 75 - HE3 LYS 73 far 0 73 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 75 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 95 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 82 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 93 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 78 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 99 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 79 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 99 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 90 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 65 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 82 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 89 0 - 6.9-12.8 HG2 ARG 70 - HE2 LYS 73 far 0 53 0 - 6.9-13.1 HB3 GLN 61 - HE3 LYS 32 far 0 66 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 79 0 - 7.4-32.5 HG2 ARG 70 - HE3 LYS 73 far 0 52 0 - 7.4-11.9 HG2 ARG 70 - HE3 LYS 75 far 0 60 0 - 7.8-16.4 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-13.0 HG2 ARG 70 - HE2 LYS 75 far 0 60 0 - 8.1-16.2 HB2 ARG 82 - HE2 LYS 73 far 0 81 0 - 8.2-23.2 HB3 LEU 64 - HE2 LYS 75 far 0 85 0 - 8.2-25.0 HB2 ARG 82 - HE3 LYS 73 far 0 79 0 - 8.2-22.9 HB3 LEU 64 - HE3 LYS 75 far 0 84 0 - 9.3-24.9 HB3 LEU 64 - HE3 LYS 32 far 0 78 0 - 9.5-14.6 HG LEU 29 - HE3 LYS 75 far 0 95 0 - 9.6-27.6 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 33 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 98 100 100 98 2.5-4.2 3.8=60, 1043/2.9=29...(55) HG2 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.2-4.2 3.8=60, 1043/2.9=29...(55) HG3 LYS 39 + HE2 LYS 39 OK 75 76 100 99 2.1-4.2 3.6=72, 1.8/1906=27...(59) HG3 LYS 39 + HE3 LYS 39 OK 73 74 100 99 2.0-3.7 3.6=72, 1.8/1906=27...(59) QB ALA 30 - HE2 LYS 13 poor 20 78 25 - 2.3-23.1 HG2 LYS 13 - HE2 LYS 39 far 5 95 5 - 3.8-32.4 HG2 LYS 13 - HE2 LYS 32 far 4 90 5 - 4.4-29.4 HB3 ARG 69 - HE2 LYS 73 far 2 48 5 - 3.9-12.2 QB ALA 30 - HE3 LYS 13 lone 0 78 30 2 2.8-23.0 ~4842=2 HB3 LEU 43 - HE3 LYS 39 far 0 82 0 - 4.7-9.3 HG2 LYS 13 - HE3 LYS 39 far 0 93 0 - 4.8-34.1 HB3 LEU 43 - HE2 LYS 39 far 0 85 0 - 5.3-8.8 HB3 ARG 69 - HE3 LYS 73 far 0 47 0 - 5.5-11.5 QB ALA 30 - HE3 LYS 32 far 0 66 0 - 5.6-9.0 HG2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.6-30.5 QB ALA 30 - HE2 LYS 32 far 0 65 0 - 5.7-9.0 HG12 ILE 33 - HE2 LYS 32 far 0 67 0 - 6.3-11.2 HB3 LEU 43 - HE3 LYS 73 far 0 78 0 - 6.4-14.2 HB3 LEU 43 - HE2 LYS 73 far 0 80 0 - 6.7-15.7 HG12 ILE 33 - HE3 LYS 32 far 0 68 0 - 7.1-11.5 HG3 LYS 39 - HE3 LYS 13 far 0 85 0 - 7.5-30.9 HG12 ILE 33 - HE3 LYS 13 far 0 81 0 - 7.7-26.2 HG12 ILE 33 - HE2 LYS 13 far 0 81 0 - 8.0-25.9 HB3 ARG 69 - HE3 LYS 39 far 0 50 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 55 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 55 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 52 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 85 0 - 8.9-30.2 HG12 ILE 33 - HE2 LYS 39 far 0 72 0 - 8.9-14.5 HG3 LYS 39 - HE3 LYS 73 far 0 69 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 71 0 - 9.3-18.0 HB3 LEU 43 - HE3 LYS 75 far 0 87 0 - 9.6-23.0 HG12 ILE 33 - HE3 LYS 39 far 0 69 0 - 9.9-13.6 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 30 assignments used, quality = 1.00: * HG3 LYS 13 + HE2 LYS 13 OK 98 100 100 98 2.2-4.2 3.8=66, 1054/2.9=31...(51) HG3 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.4-4.2 3.8=66, 1054/2.9=31...(51) HG2 LYS 73 + HE2 LYS 73 OK 61 65 100 95 2.2-4.1 3.7=72, 2.9/3030=11...(48) HG2 LYS 73 + HE3 LYS 73 OK 60 63 100 95 2.1-3.6 3.7=72, 2.9/3030=11...(48) HG3 LYS 13 - HE2 LYS 32 far 4 90 5 - 4.7-31.2 HB3 LEU 43 - HE3 LYS 39 far 4 74 5 - 4.7-9.3 HG2 LYS 73 - HE2 LYS 75 far 4 73 5 - 4.6-12.0 QB ALA 30 - HE3 LYS 13 lone 1 97 35 2 2.8-23.0 ~4842=2 QB ALA 30 - HE2 LYS 13 lone 1 97 25 2 2.3-23.1 ~4842=2 HG2 LYS 73 - HE3 LYS 75 far 0 72 0 - 5.1-12.0 HB3 LEU 43 - HE2 LYS 39 far 0 76 0 - 5.3-8.8 HG3 LYS 13 - HE2 LYS 39 far 0 95 0 - 5.5-31.7 QB ALA 30 - HE3 LYS 32 far 0 85 0 - 5.6-9.0 QB ALA 30 - HE2 LYS 32 far 0 84 0 - 5.7-9.0 HG3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.2-32.3 HG12 ILE 33 - HE2 LYS 32 far 0 82 0 - 6.3-11.2 HG3 LYS 13 - HE3 LYS 39 far 0 93 0 - 6.4-33.4 HB3 LEU 43 - HE3 LYS 73 far 0 69 0 - 6.4-14.2 HB3 LEU 43 - HE2 LYS 73 far 0 71 0 - 6.7-15.7 HG12 ILE 33 - HE3 LYS 32 far 0 84 0 - 7.1-11.5 HG12 ILE 33 - HE3 LYS 13 far 0 96 0 - 7.7-26.2 HB3 LEU 57 - HE3 LYS 32 far 0 84 0 - 7.8-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 82 0 - 8.0-13.8 HG12 ILE 33 - HE2 LYS 13 far 0 96 0 - 8.0-25.9 HG12 ILE 33 - HE2 LYS 39 far 0 87 0 - 8.9-14.5 HB3 LEU 52 - HE2 LYS 39 far 0 80 0 - 9.0-14.5 HB3 LEU 52 - HE3 LYS 39 far 0 77 0 - 9.1-15.0 HB3 LEU 43 - HE3 LYS 75 far 0 79 0 - 9.6-23.0 HB3 LEU 57 - HE2 LYS 39 far 0 87 0 - 9.6-15.3 HG12 ILE 33 - HE3 LYS 39 far 0 85 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 10 out of 37 assignments used, quality = 1.00: * 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 + HE2 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 85 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 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 82 97 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 44 90 60 81 2.2-5.5 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 + HE2 LYS 13 OK 26 90 35 82 2.2-5.5 5.2=12, 3.0/1064=9...(50) HG2 ARG 23 - HE2 LYS 75 far 5 96 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 96 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 4 90 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 4 88 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 90 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 82 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 95 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 79 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 7.9-13.0 HB2 ARG 82 - HE2 LYS 73 far 0 48 0 - 8.2-23.2 HB2 ARG 82 - HE3 LYS 73 far 0 47 0 - 8.2-22.9 HG LEU 29 - HE3 LYS 75 far 0 93 0 - 9.6-27.6 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 10 out of 37 assignments used, quality = 1.00: 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 + HE2 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 85 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 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 82 97 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 44 90 60 81 2.2-5.5 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 + HE2 LYS 13 OK 26 90 35 82 2.2-5.5 5.2=12, 3.0/1064=9...(50) HG2 ARG 23 - HE2 LYS 75 far 5 96 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 96 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 4 90 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 4 88 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 90 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 82 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 95 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 79 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 7.9-13.0 HB2 ARG 82 - HE2 LYS 73 far 0 48 0 - 8.2-23.2 HB2 ARG 82 - HE3 LYS 73 far 0 47 0 - 8.2-22.9 HG LEU 29 - HE3 LYS 75 far 0 93 0 - 9.6-27.6 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): 12 out of 54 assignments used, quality = 1.00: * HB2 LYS 13 + HE3 LYS 13 OK 95 100 100 95 2.1-4.8 5.2=29, 3.0/1064=17...(37) HB3 LYS 75 + HE3 LYS 75 OK 93 97 100 96 2.4-4.7 5.0=34, ~3128=16...(36) HB3 LYS 39 + HE2 LYS 39 OK 85 91 95 98 3.4-5.0 4.7=41, 2.9/1906=23...(40) HB3 LYS 39 + HE3 LYS 39 OK 83 89 95 98 1.9-5.0 4.7=41, 2.9/1906=23...(40) HB2 LYS 13 + HE2 LYS 13 OK 81 100 85 96 2.2-5.4 5.2=29, 3.0/1064=17...(37) HB3 LYS 75 + HE2 LYS 75 OK 79 98 85 96 3.2-5.4 5.0=34, ~3128=16...(36) HB3 LYS 32 + HE3 LYS 32 OK 77 79 100 98 2.4-4.6 4.6=44, 2.9/1638=22...(43) HB2 LYS 32 + HE3 LYS 32 OK 77 79 100 98 2.5-4.7 4.6=44, 2.9/1638=22...(43) HB3 LYS 32 + HE2 LYS 32 OK 76 78 100 98 2.0-4.8 4.6=44, 2.9/1638=22...(43) HB3 LYS 73 + HE3 LYS 73 OK 72 82 95 93 3.1-5.1 4.7=41, ~3020=16...(30) HB2 LYS 32 + HE2 LYS 32 OK 72 78 95 98 2.0-5.3 4.6=44, 2.9/1638=22...(43) HB3 LYS 73 + HE2 LYS 73 OK 66 84 85 93 2.6-5.4 4.7=41, ~3020=16...(30) HB3 LYS 75 - HE3 LYS 73 poor 18 90 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 91 30 28 2.3-11.0 2982/3.7=3, 2985/3.0=2...(18) HB2 LYS 13 - HE2 LYS 39 far 5 94 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 32 far 5 93 5 - 4.8-31.7 HB2 LYS 13 - HE3 LYS 39 far 5 91 5 - 4.6-32.3 HB2 LYS 13 - HE2 LYS 32 far 5 91 5 - 4.8-30.7 HB2 ARG 69 - HE2 LYS 73 far 4 82 5 - 4.9-12.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 87 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 91 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 89 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 86 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 64 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.4-29.6 HB2 ARG 69 - HE3 LYS 73 far 0 81 0 - 6.6-11.3 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 88 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 61 0 - 7.2-22.2 HB3 LYS 39 - HE3 LYS 13 far 0 99 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 87 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 60 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 73 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 86 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 69 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 68 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 89 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 8.1-27.8 HB3 LYS 39 - HE2 LYS 13 far 0 99 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 81 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 64 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 73 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 90 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 82 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 65 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 85 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 66 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 87 0 - 9.7-16.0 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 44 assignments used, quality = 1.00: HD2 LYS 13 + HE3 LYS 13 OK 86 90 100 95 2.3-3.0 2.9=78, 1044/3.8=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) HD2 LYS 13 + HE2 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 2.3-3.0 2.9=78, 1044/3.8=13...(31) 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 + HE2 LYS 75 OK 77 84 100 92 2.4-3.0 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 2.4-3.0 2.9=78, 1.8/3124=8...(25) * HB3 LYS 13 + HE3 LYS 13 OK 56 100 65 86 2.2-5.5 5.2=14, 3.0/1064=11...(50) HB3 LYS 13 + HE2 LYS 13 OK 35 100 40 86 2.2-5.5 5.2=14, 3.0/1064=11...(50) HD2 LYS 75 - HE3 LYS 73 far 7 75 10 - 4.0-12.6 HG2 ARG 23 - HE2 LYS 75 far 5 92 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 92 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 4 76 5 - 3.4-14.8 HD3 LYS 75 - HE3 LYS 73 far 0 75 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 76 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 94 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 80 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 91 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 79 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 99 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 78 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 99 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 91 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 66 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 80 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 90 0 - 6.9-12.8 HG2 ARG 70 - HE2 LYS 73 far 0 54 0 - 6.9-13.1 HB3 GLN 61 - HE3 LYS 32 far 0 67 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 78 0 - 7.4-32.5 HG2 ARG 70 - HE3 LYS 73 far 0 53 0 - 7.4-11.9 HG2 ARG 70 - HE3 LYS 75 far 0 60 0 - 7.8-16.4 HG LEU 29 - HE2 LYS 32 far 0 89 0 - 7.9-13.0 HG2 ARG 70 - HE2 LYS 75 far 0 61 0 - 8.1-16.2 HB2 ARG 82 - HE2 LYS 73 far 0 82 0 - 8.2-23.2 HB3 LEU 64 - HE2 LYS 75 far 0 86 0 - 8.2-25.0 HB2 ARG 82 - HE3 LYS 73 far 0 81 0 - 8.2-22.9 HB3 LEU 64 - HE3 LYS 75 far 0 85 0 - 9.3-24.9 HB3 LEU 64 - HE3 LYS 32 far 0 79 0 - 9.5-14.6 HG LEU 29 - HE3 LYS 75 far 0 95 0 - 9.6-27.6 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 33 assignments used, quality = 1.00: HG2 LYS 13 + HE2 LYS 13 OK 98 100 100 98 2.5-4.2 3.8=60, 1043/2.9=29...(55) * HG2 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.2-4.2 3.8=60, 1043/2.9=29...(55) HG3 LYS 39 + HE2 LYS 39 OK 74 75 100 99 2.1-4.2 3.6=72, 1.8/1906=26...(59) HG3 LYS 39 + HE3 LYS 39 OK 72 72 100 99 2.0-3.7 3.6=72, 1.8/1906=26...(59) QB ALA 30 - HE2 LYS 13 poor 20 78 25 - 2.3-23.1 HG2 LYS 13 - HE2 LYS 39 far 5 94 5 - 3.8-32.4 HG2 LYS 13 - HE2 LYS 32 far 5 91 5 - 4.4-29.4 HB3 ARG 69 - HE2 LYS 73 far 2 49 5 - 3.9-12.2 QB ALA 30 - HE3 LYS 13 lone 0 78 30 2 2.8-23.0 ~4842=2 HB3 LEU 43 - HE3 LYS 39 far 0 81 0 - 4.7-9.3 HG2 LYS 13 - HE3 LYS 39 far 0 91 0 - 4.8-34.1 HB3 LEU 43 - HE2 LYS 39 far 0 84 0 - 5.3-8.8 HB3 ARG 69 - HE3 LYS 73 far 0 48 0 - 5.5-11.5 QB ALA 30 - HE3 LYS 32 far 0 67 0 - 5.6-9.0 HG2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.6-30.5 QB ALA 30 - HE2 LYS 32 far 0 66 0 - 5.7-9.0 HG12 ILE 33 - HE2 LYS 32 far 0 68 0 - 6.3-11.2 HB3 LEU 43 - HE3 LYS 73 far 0 80 0 - 6.4-14.2 HB3 LEU 43 - HE2 LYS 73 far 0 81 0 - 6.7-15.7 HG12 ILE 33 - HE3 LYS 32 far 0 69 0 - 7.1-11.5 HG3 LYS 39 - HE3 LYS 13 far 0 85 0 - 7.5-30.9 HG12 ILE 33 - HE3 LYS 13 far 0 81 0 - 7.7-26.2 HG12 ILE 33 - HE2 LYS 13 far 0 81 0 - 8.0-25.9 HB3 ARG 69 - HE3 LYS 39 far 0 49 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 56 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 55 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 51 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 85 0 - 8.9-30.2 HG12 ILE 33 - HE2 LYS 39 far 0 71 0 - 8.9-14.5 HG3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 72 0 - 9.3-18.0 HB3 LEU 43 - HE3 LYS 75 far 0 88 0 - 9.6-23.0 HG12 ILE 33 - HE3 LYS 39 far 0 68 0 - 9.9-13.6 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 30 assignments used, quality = 1.00: HG3 LYS 13 + HE2 LYS 13 OK 98 100 100 98 2.2-4.2 3.8=66, 1054/2.9=31...(51) * HG3 LYS 13 + HE3 LYS 13 OK 98 100 100 98 2.4-4.2 3.8=66, 1054/2.9=31...(51) HG2 LYS 73 + HE2 LYS 73 OK 63 66 100 95 2.2-4.1 3.7=72, 2.9/3030=11...(48) HG2 LYS 73 + HE3 LYS 73 OK 61 65 100 95 2.1-3.6 3.7=72, 2.9/3030=11...(48) HG3 LYS 13 - HE2 LYS 32 far 5 91 5 - 4.7-31.2 HG2 LYS 73 - HE2 LYS 75 far 4 73 5 - 4.6-12.0 HB3 LEU 43 - HE3 LYS 39 far 4 72 5 - 4.7-9.3 QB ALA 30 - HE3 LYS 13 lone 1 97 35 2 2.8-23.0 ~4842=2 QB ALA 30 - HE2 LYS 13 lone 1 97 25 2 2.3-23.1 ~4842=2 HG2 LYS 73 - HE3 LYS 75 far 0 73 0 - 5.1-12.0 HB3 LEU 43 - HE2 LYS 39 far 0 75 0 - 5.3-8.8 HG3 LYS 13 - HE2 LYS 39 far 0 94 0 - 5.5-31.7 QB ALA 30 - HE3 LYS 32 far 0 86 0 - 5.6-9.0 QB ALA 30 - HE2 LYS 32 far 0 85 0 - 5.7-9.0 HG3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.2-32.3 HG12 ILE 33 - HE2 LYS 32 far 0 84 0 - 6.3-11.2 HG3 LYS 13 - HE3 LYS 39 far 0 91 0 - 6.4-33.4 HB3 LEU 43 - HE3 LYS 73 far 0 71 0 - 6.4-14.2 HB3 LEU 43 - HE2 LYS 73 far 0 72 0 - 6.7-15.7 HG12 ILE 33 - HE3 LYS 32 far 0 85 0 - 7.1-11.5 HG12 ILE 33 - HE3 LYS 13 far 0 96 0 - 7.7-26.2 HB3 LEU 57 - HE3 LYS 32 far 0 85 0 - 7.8-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 84 0 - 8.0-13.8 HG12 ILE 33 - HE2 LYS 13 far 0 96 0 - 8.0-25.9 HG12 ILE 33 - HE2 LYS 39 far 0 86 0 - 8.9-14.5 HB3 LEU 52 - HE2 LYS 39 far 0 79 0 - 9.0-14.5 HB3 LEU 52 - HE3 LYS 39 far 0 76 0 - 9.1-15.0 HB3 LEU 43 - HE3 LYS 75 far 0 79 0 - 9.6-23.0 HB3 LEU 57 - HE2 LYS 39 far 0 86 0 - 9.6-15.3 HG12 ILE 33 - HE3 LYS 39 far 0 84 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 10 out of 37 assignments used, quality = 1.00: 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 + HE2 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 98 100 85 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 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 44 90 60 81 2.2-5.5 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 + HE2 LYS 13 OK 26 90 35 82 2.2-5.5 5.2=12, 3.0/1064=9...(50) HG2 ARG 23 - HE2 LYS 75 far 5 97 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 96 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 91 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 4 90 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 91 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 80 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 94 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 78 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-13.0 HB2 ARG 82 - HE2 LYS 73 far 0 49 0 - 8.2-23.2 HB2 ARG 82 - HE3 LYS 73 far 0 48 0 - 8.2-22.9 HG LEU 29 - HE3 LYS 75 far 0 94 0 - 9.6-27.6 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 10 out of 37 assignments used, quality = 1.00: 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 + HE2 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 98 100 85 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 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 83 97 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 44 90 60 81 2.2-5.5 5.2=12, 3.0/1064=9...(50) HB3 LYS 13 + HE2 LYS 13 OK 26 90 35 82 2.2-5.5 5.2=12, 3.0/1064=9...(50) HG2 ARG 23 - HE2 LYS 75 far 5 97 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 96 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 91 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 4 90 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 91 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 80 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 94 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 78 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 7.9-13.0 HB2 ARG 82 - HE2 LYS 73 far 0 49 0 - 8.2-23.2 HB2 ARG 82 - HE3 LYS 73 far 0 48 0 - 8.2-22.9 HG LEU 29 - HE3 LYS 75 far 0 94 0 - 9.6-27.6 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 3.0-4.0 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 7 assignments used, quality = 1.00: * HB3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 3.0-4.0 3.0=100 HB3 ARG 26 - HD2 PRO 14 far 0 99 0 - 6.5-27.8 HB2 MET 11 - HD2 PRO 14 far 0 100 0 - 7.2-11.3 HB2 ARG 26 - HD2 PRO 14 far 0 99 0 - 7.8-28.7 HB3 PRO 34 - HD2 PRO 14 far 0 95 0 - 8.2-25.9 HG12 ILE 40 - HD2 PRO 14 far 0 87 0 - 8.9-27.5 HB2 GLU 19 - HD2 PRO 14 far 0 76 0 - 9.0-20.4 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 5 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 5 100 5 - 4.2-32.5 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 6.2-10.9 QE MET 31 - HD2 PRO 14 far 0 100 0 - 8.5-22.3 Violated in 0 structures by 0.00 A. Peak 1083 from cnoeabs.peaks (1.98, 3.79, 50.51 ppm; 3.29 A): 2 out of 5 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 5 100 5 - 4.2-32.5 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 6.2-10.9 QE MET 31 - HD2 PRO 14 far 0 100 0 - 8.5-22.3 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (3.79, 3.79, 50.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HD2 PRO 14 OK 100 100 - 100 Peak 1085 from cnoeabs.peaks (3.62, 3.79, 50.51 ppm; 2.44 A): 1 out of 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 - 8.0-30.1 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 3.0-4.0 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 6 assignments used, quality = 1.00: * HB3 PRO 14 + HD3 PRO 14 OK 100 100 100 100 3.0-4.0 3.0=100 HB3 ARG 26 - HD3 PRO 14 far 0 99 0 - 6.5-27.5 HB2 MET 11 - HD3 PRO 14 far 0 100 0 - 8.0-11.5 HB2 ARG 26 - HD3 PRO 14 far 0 99 0 - 8.1-28.7 HB3 PRO 34 - HD3 PRO 14 far 0 95 0 - 8.7-26.9 HB2 GLU 19 - HD3 PRO 14 far 0 76 0 - 8.9-20.1 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 5 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 0 100 0 - 5.3-32.6 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 6.8-10.9 QE MET 31 - HD3 PRO 14 far 0 100 0 - 7.5-22.7 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (1.98, 3.62, 50.51 ppm; 3.46 A): 2 out of 5 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 0 100 0 - 5.3-32.6 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 6.8-10.9 QE MET 31 - HD3 PRO 14 far 0 100 0 - 7.5-22.7 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (3.79, 3.62, 50.51 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HD3 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1092 from cnoeabs.peaks (3.62, 3.62, 50.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 14 + HD3 PRO 14 OK 100 100 - 100 Peak 1093 from cnoeabs.peaks (4.45, 4.45, 63.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 14 + HA PRO 14 OK 100 100 - 100 Peak 1094 from cnoeabs.peaks (2.27, 4.45, 63.04 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 14 + HA PRO 14 OK 100 100 100 100 2.3-2.7 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 6 assignments used, quality = 1.00: * HB3 PRO 14 + HA PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 26 - HA PRO 14 far 0 99 0 - 7.7-26.8 HB2 GLU 19 - HA PRO 14 far 0 76 0 - 7.9-18.7 HB2 MET 11 - HA PRO 14 far 0 100 0 - 8.9-12.6 HB2 ARG 26 - HA PRO 14 far 0 99 0 - 9.2-27.9 HB3 PRO 34 - HA PRO 14 far 0 95 0 - 9.5-25.9 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 14 + HA PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 14 + HA PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 HG LEU 43 - HA PRO 14 far 0 100 0 - 7.6-32.8 HB3 MET 11 - HA PRO 14 far 0 78 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 1097 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 14 + HA PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 * HG3 PRO 14 + HA PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 HG LEU 43 - HA PRO 14 far 0 100 0 - 7.6-32.8 HB3 MET 11 - HA PRO 14 far 0 78 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (4.45, 2.27, 31.85 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HA ASP 67 - HB2 PRO 14 far 0 78 0 - 7.9-32.5 Violated in 0 structures by 0.00 A. Peak 1101 from cnoeabs.peaks (2.27, 2.27, 31.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 14 + HB2 PRO 14 OK 100 100 - 100 Peak 1102 from cnoeabs.peaks (1.89, 2.27, 31.85 ppm; 2.52 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 26 - HB2 PRO 14 far 0 99 0 - 5.2-24.7 HB2 GLU 19 - HB2 PRO 14 far 0 76 0 - 5.5-18.4 HB2 ARG 26 - HB2 PRO 14 far 0 99 0 - 6.7-25.5 HB3 PRO 34 - HB2 PRO 14 far 0 95 0 - 7.8-24.5 HG12 ILE 40 - HB2 PRO 14 far 0 87 0 - 9.9-25.5 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 5 assignments used, quality = 1.00: * HG2 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HG LEU 43 - HB2 PRO 14 far 0 100 0 - 6.5-30.2 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 9.2-13.8 QE MET 31 - HB2 PRO 14 far 0 100 0 - 9.7-21.7 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 5 assignments used, quality = 1.00: HG2 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HG LEU 43 - HB2 PRO 14 far 0 100 0 - 6.5-30.2 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 9.2-13.8 QE MET 31 - HB2 PRO 14 far 0 100 0 - 9.7-21.7 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 3.0-4.0 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 3.0-4.0 3.0=100 HA ILE 40 - HB2 PRO 14 far 0 90 0 - 9.9-28.3 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 2 assignments used, quality = 1.00: * HA PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HA ASP 67 - HB3 PRO 14 far 0 78 0 - 8.1-33.2 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 5 assignments used, quality = 1.00: * HG2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HG LEU 43 - HB3 PRO 14 far 0 100 0 - 6.0-31.0 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 8.4-13.9 QE MET 31 - HB3 PRO 14 far 0 100 0 - 9.6-21.9 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 5 assignments used, quality = 1.00: HG2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HG LEU 43 - HB3 PRO 14 far 0 100 0 - 6.0-31.0 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 8.4-13.9 QE MET 31 - HB3 PRO 14 far 0 100 0 - 9.6-21.9 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 3.0-4.0 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 3.0-4.0 3.0=100 HA ILE 40 - HB3 PRO 14 far 0 90 0 - 8.8-29.6 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 6 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 - 7.6-32.8 HA ASP 67 - HG3 PRO 14 far 0 78 0 - 8.1-33.3 HA TYR 81 - HG LEU 43 far 0 61 0 - 8.6-26.1 HA ASP 67 - HG2 PRO 14 far 0 78 0 - 8.9-32.2 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 7 assignments used, quality = 1.00: * HB2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 PRO 14 - HG LEU 43 far 0 63 0 - 6.5-30.2 HG3 GLU 25 - HG2 PRO 14 far 0 68 0 - 9.0-24.2 HG2 GLU 25 - HG2 PRO 14 far 0 89 0 - 9.4-25.6 HG3 GLU 25 - HG3 PRO 14 far 0 68 0 - 9.8-25.2 HG2 GLU 25 - HG3 PRO 14 far 0 89 0 - 10.0-26.6 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 17 assignments used, quality = 1.00: * HB3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 26 - HG3 PRO 14 far 5 99 5 - 4.3-27.1 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 4.8-25.6 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 5.8-7.4 HB2 ARG 26 - HG3 PRO 14 far 0 99 0 - 5.9-27.9 HB3 PRO 14 - HG LEU 43 far 0 63 0 - 6.0-31.0 HB2 ARG 26 - HG2 PRO 14 far 0 99 0 - 6.1-26.4 HB2 GLU 19 - HG2 PRO 14 far 0 76 0 - 6.6-19.7 HB3 PRO 34 - HG3 PRO 14 far 0 95 0 - 6.6-24.3 HB2 GLU 19 - HG3 PRO 14 far 0 76 0 - 7.0-20.7 HG12 ILE 40 - HG2 PRO 14 far 0 87 0 - 7.8-26.4 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 8.1-25.6 HG12 ILE 40 - HG3 PRO 14 far 0 87 0 - 9.2-27.9 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 9.3-13.7 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 9.5-13.5 HB ILE 68 - HG LEU 43 far 0 58 0 - 9.5-11.9 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 3 63 5 - 4.2-32.5 HA LEU 52 - HG LEU 43 far 0 45 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 3 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 OK 34 51 75 88 3.9-6.0 5125=41, 4372/623=33...(12) HD3 PRO 14 - HG LEU 43 far 0 63 0 - 5.3-32.6 HA ILE 40 - HG2 PRO 14 far 0 90 0 - 7.1-29.1 HA ILE 40 - HG3 PRO 14 far 0 90 0 - 8.1-30.6 HA ARG 69 - HG LEU 43 far 0 56 0 - 9.0-10.8 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 6 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 - 7.6-32.8 HA ASP 67 - HG3 PRO 14 far 0 78 0 - 8.1-33.3 HA TYR 81 - HG LEU 43 far 0 61 0 - 8.6-26.1 HA ASP 67 - HG2 PRO 14 far 0 78 0 - 8.9-32.2 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 7 assignments used, quality = 1.00: HB2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HB2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 PRO 14 - HG LEU 43 far 0 63 0 - 6.5-30.2 HG3 GLU 25 - HG2 PRO 14 far 0 68 0 - 9.0-24.2 HG2 GLU 25 - HG2 PRO 14 far 0 89 0 - 9.4-25.6 HG3 GLU 25 - HG3 PRO 14 far 0 68 0 - 9.8-25.2 HG2 GLU 25 - HG3 PRO 14 far 0 89 0 - 10.0-26.6 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 17 assignments used, quality = 1.00: HB3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HB3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 26 - HG3 PRO 14 far 5 99 5 - 4.3-27.1 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 4.8-25.6 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 5.8-7.4 HB2 ARG 26 - HG3 PRO 14 far 0 99 0 - 5.9-27.9 HB3 PRO 14 - HG LEU 43 far 0 63 0 - 6.0-31.0 HB2 ARG 26 - HG2 PRO 14 far 0 99 0 - 6.1-26.4 HB2 GLU 19 - HG2 PRO 14 far 0 76 0 - 6.6-19.7 HB3 PRO 34 - HG3 PRO 14 far 0 95 0 - 6.6-24.3 HB2 GLU 19 - HG3 PRO 14 far 0 76 0 - 7.0-20.7 HG12 ILE 40 - HG2 PRO 14 far 0 87 0 - 7.8-26.4 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 8.1-25.6 HG12 ILE 40 - HG3 PRO 14 far 0 87 0 - 9.2-27.9 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 9.3-13.7 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 9.5-13.5 HB ILE 68 - HG LEU 43 far 0 58 0 - 9.5-11.9 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 3 63 5 - 4.2-32.5 HA LEU 52 - HG LEU 43 far 0 45 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 1127 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 3 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 OK 34 51 75 88 3.9-6.0 5125=41, 4372/623=33...(12) HD3 PRO 14 - HG LEU 43 far 0 63 0 - 5.3-32.6 HA ILE 40 - HG2 PRO 14 far 0 90 0 - 7.1-29.1 HA ILE 40 - HG3 PRO 14 far 0 90 0 - 8.1-30.6 HA ARG 69 - HG LEU 43 far 0 56 0 - 9.0-10.8 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 3 assignments used, quality = 1.00: * H THR 15 + HA THR 15 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 28 - HA THR 15 far 0 98 0 - 9.1-22.0 H ARG 27 - HA THR 15 far 0 68 0 - 9.4-24.0 Violated in 0 structures by 0.00 A. Peak 1129 from cnoeabs.peaks (4.25, 4.25, 61.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + HA THR 15 OK 100 100 - 100 Peak 1130 from cnoeabs.peaks (4.17, 4.25, 61.70 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 15 + HA THR 15 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 29 - HA THR 15 far 0 99 0 - 5.3-24.9 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 3 assignments used, quality = 1.00: * QG2 THR 15 + HA THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 QG2 THR 37 - HA THR 15 far 0 83 0 - 6.9-19.0 HG13 ILE 33 - HA THR 15 far 0 63 0 - 7.4-21.1 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (8.20, 4.17, 69.96 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * H THR 15 + HB THR 15 OK 100 100 100 100 2.6-4.0 4.0=100 H ALA 28 - HB THR 15 far 0 98 0 - 7.7-20.8 H ARG 27 - HB THR 15 far 0 68 0 - 9.0-22.9 H GLU 25 - HB THR 15 far 0 100 0 - 9.9-23.2 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 6 assignments used, quality = 1.00: * HA THR 15 + HB THR 15 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 19 - HB THR 15 far 0 97 0 - 5.2-15.5 HA ALA 12 - HB THR 15 far 0 96 0 - 7.5-12.1 HA LYS 39 - HB THR 15 far 0 100 0 - 8.4-31.2 HB THR 37 - HB THR 15 far 0 76 0 - 9.2-23.7 HA ALA 20 - HB THR 15 far 0 92 0 - 9.4-18.9 Violated in 0 structures by 0.00 A. Peak 1134 from cnoeabs.peaks (4.17, 4.17, 69.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 15 + HB THR 15 OK 100 100 - 100 Peak 1135 from cnoeabs.peaks (1.19, 4.17, 69.96 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 15 + HB THR 15 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 33 - HB THR 15 far 0 63 0 - 5.1-22.3 QG2 THR 37 - HB THR 15 far 0 83 0 - 8.0-19.7 QG2 VAL 65 - HB THR 15 far 0 81 0 - 8.5-21.9 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 4 assignments used, quality = 1.00: * H THR 15 + QG2 THR 15 OK 100 100 100 100 2.0-4.0 3.9=100 H ALA 28 - QG2 THR 15 far 0 98 0 - 6.4-19.3 H ARG 27 - QG2 THR 15 far 0 68 0 - 7.6-21.0 H GLU 25 - QG2 THR 15 far 0 100 0 - 9.4-21.2 Violated in 0 structures by 0.00 A. Peak 1137 from cnoeabs.peaks (4.25, 1.19, 21.44 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 15 + QG2 THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 HA GLU 19 - QG2 THR 15 far 0 97 0 - 5.4-12.9 HA ALA 12 - QG2 THR 15 far 0 96 0 - 5.4-9.3 HA LYS 39 - QG2 THR 15 far 0 100 0 - 6.7-25.3 HA ALA 20 - QG2 THR 15 far 0 92 0 - 9.0-15.9 HB THR 37 - QG2 THR 15 far 0 76 0 - 9.0-19.8 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 10 99 10 - 2.1-20.6 Violated in 0 structures by 0.00 A. Peak 1139 from cnoeabs.peaks (1.19, 1.19, 21.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 15 + QG2 THR 15 OK 100 100 - 100 Peak 1140 from cnoeabs.peaks (8.36, 4.31, 52.27 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 16 + HA ALA 16 OK 100 100 100 100 2.8-2.9 2.9=100 H ARG 17 + HA ALA 16 OK 76 76 100 100 2.1-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (4.31, 4.31, 52.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 16 + HA ALA 16 OK 100 100 - 100 Peak 1142 from cnoeabs.peaks (1.36, 4.31, 52.27 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 20 - HA ALA 16 far 4 87 5 - 4.6-13.2 QB ALA 28 - HA ALA 16 far 4 81 5 - 4.3-15.8 QB ALA 12 - HA ALA 16 far 0 65 0 - 7.3-12.2 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 9 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.8 2.9=100 H ARG 17 + QB ALA 16 OK 76 76 100 100 2.1-3.7 3.6=100 H ASP 24 - QB ALA 20 far 4 44 10 - 3.7-10.1 H ARG 17 - QB ALA 20 far 3 35 10 - 4.9-11.3 H ALA 16 - QB ALA 20 far 3 55 5 - 4.7-14.1 H ALA 16 - QB ALA 12 far 0 65 0 - 5.9-10.9 H ARG 17 - QB ALA 12 far 0 42 0 - 7.7-14.1 H ASP 24 - QB ALA 16 far 0 90 0 - 8.0-19.1 H VAL 65 - QB ALA 20 far 0 26 0 - 9.7-18.8 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 4 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 - 3.7-23.3 HA ALA 16 - QB ALA 20 far 3 55 5 - 4.6-13.2 HA ALA 16 - QB ALA 12 far 0 65 0 - 7.3-12.2 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): 4 out of 8 assignments used, quality = 1.00: * H ARG 17 + HA ARG 17 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 18 + HA ARG 17 OK 73 73 100 100 2.2-3.6 3.6=100 H ALA 16 + HA ARG 17 OK 38 76 90 56 4.2-5.8 ~22=30, 2.9/5486=29...(4) H GLY 18 + HA GLU 19 OK 26 52 95 52 4.1-5.7 4822=21, ~25=15, ~24=15...(6) H GLY 21 - HA GLU 19 poor 9 76 35 34 4.2-6.7 4.5/498=21, 33=10, 3.6/1240=7 H ALA 16 - HA GLU 19 far 3 54 5 - 4.1-12.2 H ARG 17 - HA GLU 19 far 0 80 0 - 5.9-8.7 H GLY 21 - HA ARG 17 far 0 98 0 - 7.4-13.3 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 11 assignments used, quality = 1.00: * HB2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 17 - HA GLU 19 far 0 80 0 - 5.3-9.1 HB3 ARG 71 - HA GLU 19 far 0 70 0 - 7.9-22.8 HB2 LYS 39 - HA ARG 17 far 0 92 0 - 8.0-25.1 HB3 ARG 71 - HA ARG 17 far 0 93 0 - 8.1-28.0 HB3 ARG 23 - HA GLU 19 far 0 77 0 - 8.2-15.1 HB2 LYS 75 - HA GLU 19 far 0 80 0 - 8.3-28.4 HB2 LYS 73 - HA ARG 17 far 0 89 0 - 8.6-29.0 HB2 ARG 23 - HA GLU 19 far 0 78 0 - 8.9-15.2 HB2 ARG 71 - HA ARG 17 far 0 95 0 - 9.5-26.5 HB2 ARG 71 - HA GLU 19 far 0 71 0 - 9.6-22.3 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 HG3 ARG 26 - HA GLU 19 far 4 79 5 - 4.3-15.4 HB3 ARG 17 - HA GLU 19 far 0 80 0 - 5.2-8.6 HB2 LEU 29 - HA GLU 19 far 0 46 0 - 5.6-18.7 HB2 LEU 29 - HA ARG 17 far 0 65 0 - 6.6-23.0 HG3 ARG 26 - HA ARG 17 far 0 100 0 - 7.6-20.8 HB3 LYS 32 - HA ARG 17 far 0 57 0 - 8.7-28.6 HG3 ARG 71 - HA ARG 17 far 0 99 0 - 8.8-28.1 HB ILE 33 - HA ARG 17 far 0 71 0 - 8.8-22.9 HB ILE 33 - HA GLU 19 far 0 50 0 - 9.3-20.4 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 13 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 2.3-3.7 4.0=76, 1167/3.0=25...(48) HG2 ARG 26 - HA GLU 19 far 8 80 10 - 3.6-17.0 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-9.7 HG2 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-10.2 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 6.7-22.4 HD3 LYS 32 - HA GLU 19 far 0 78 0 - 8.0-26.4 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 8.6-29.8 HG2 ARG 71 - HA ARG 17 far 0 100 0 - 8.9-28.1 HG2 ARG 71 - HA GLU 19 far 0 80 0 - 9.2-25.0 HD2 LYS 32 - HA GLU 19 far 0 77 0 - 9.3-26.5 HD3 LYS 73 - HA ARG 17 far 0 99 0 - 9.4-32.3 HD2 LYS 32 - HA ARG 17 far 0 99 0 - 9.5-29.8 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 13 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 2.3-3.7 4.0=76, 1167/3.0=25...(48) HG2 ARG 26 - HA GLU 19 far 8 80 10 - 3.6-17.0 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-9.7 HG2 ARG 17 - HA GLU 19 far 0 80 0 - 6.2-10.2 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 6.7-22.4 HD3 LYS 32 - HA GLU 19 far 0 78 0 - 8.0-26.4 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 8.6-29.8 HG2 ARG 71 - HA ARG 17 far 0 100 0 - 8.9-28.1 HG2 ARG 71 - HA GLU 19 far 0 80 0 - 9.2-25.0 HD2 LYS 32 - HA GLU 19 far 0 76 0 - 9.3-26.5 HD3 LYS 73 - HA ARG 17 far 0 98 0 - 9.4-32.3 HD2 LYS 32 - HA ARG 17 far 0 98 0 - 9.5-29.8 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 13 assignments used, quality = 1.00: HD3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-5.4 5.0=64, 3.0/1151=36...(48) * HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 3.1-5.0 5.0=64, 3.0/1151=36...(48) HD2 ARG 26 - HA GLU 19 far 7 70 10 - 4.7-15.1 HD3 ARG 26 - HA GLU 19 far 7 68 10 - 3.1-15.4 HD3 ARG 17 - HA GLU 19 far 4 80 5 - 4.0-10.8 HD2 ARG 17 - HA GLU 19 far 4 80 5 - 4.9-11.7 HD2 ARG 71 - HA ARG 17 far 0 83 0 - 6.7-30.4 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 7.4-21.3 HD2 ARG 26 - HA ARG 17 far 0 93 0 - 7.4-21.1 HD2 ARG 71 - HA GLU 19 far 0 60 0 - 7.6-26.1 HD2 ARG 23 - HA GLU 19 far 0 79 0 - 8.1-17.1 HD3 ARG 23 - HA GLU 19 far 0 79 0 - 8.7-16.8 HD3 ARG 23 - HA ARG 17 far 0 100 0 - 9.0-23.7 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 13 assignments used, quality = 1.00: * HD3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-5.4 5.0=64, 3.0/1151=36...(48) HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 3.1-5.0 5.0=64, 3.0/1151=36...(48) HD2 ARG 26 - HA GLU 19 far 7 70 10 - 4.7-15.1 HD3 ARG 26 - HA GLU 19 far 7 68 10 - 3.1-15.4 HD3 ARG 17 - HA GLU 19 far 4 80 5 - 4.0-10.8 HD2 ARG 17 - HA GLU 19 far 4 80 5 - 4.9-11.7 HD2 ARG 71 - HA ARG 17 far 0 83 0 - 6.7-30.4 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 7.4-21.3 HD2 ARG 26 - HA ARG 17 far 0 93 0 - 7.4-21.1 HD2 ARG 71 - HA GLU 19 far 0 60 0 - 7.6-26.1 HD2 ARG 23 - HA GLU 19 far 0 79 0 - 8.1-17.1 HD3 ARG 23 - HA GLU 19 far 0 79 0 - 8.7-16.8 HD3 ARG 23 - HA ARG 17 far 0 100 0 - 9.0-23.7 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (8.38, 1.84, 30.61 ppm; 4.91 A): 3 out of 13 assignments used, quality = 1.00: * H ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.1-4.0 4.0=100 H GLY 18 + HB2 ARG 17 OK 73 73 100 100 2.0-4.6 4.3=100 H ALA 16 + HB2 ARG 17 OK 25 76 70 48 4.2-7.6 ~5486=23, 1146/3.0=13...(6) H GLY 18 - HB3 ARG 71 far 0 31 0 - 6.6-26.0 H GLY 21 - HB2 ARG 71 far 0 48 0 - 6.8-18.1 H GLY 21 - HB2 ARG 17 far 0 98 0 - 6.8-14.5 H GLY 21 - HB3 ARG 71 far 0 47 0 - 7.2-18.9 H GLY 18 - HB2 ARG 71 far 0 31 0 - 8.2-24.7 H ARG 17 - HB3 ARG 71 far 0 51 0 - 8.4-27.5 H VAL 65 - HB2 ARG 71 far 0 50 0 - 8.7-11.4 H ALA 16 - HB3 ARG 71 far 0 32 0 - 9.6-31.8 H ARG 17 - HB2 ARG 71 far 0 52 0 - 9.7-27.0 H VAL 65 - HB3 ARG 71 far 0 49 0 - 9.9-12.0 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 16 assignments used, quality = 1.00: * HA ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 19 - HB2 ARG 17 far 0 81 0 - 5.3-9.1 HA ALA 20 - HB2 ARG 17 far 0 89 0 - 6.3-12.6 HA LEU 64 - HB2 ARG 71 far 0 39 0 - 6.6-9.1 HA ALA 20 - HB3 ARG 71 far 0 40 0 - 7.2-20.4 HA LEU 64 - HB3 ARG 71 far 0 38 0 - 7.5-10.2 HA GLU 19 - HB3 ARG 71 far 0 35 0 - 7.9-22.8 HA ARG 17 - HB3 ARG 71 far 0 51 0 - 8.1-28.0 HA ASP 38 - HB2 ARG 17 far 0 100 0 - 8.2-24.3 HA ALA 20 - HB2 ARG 71 far 0 41 0 - 8.2-19.7 HA ALA 12 - HB2 ARG 17 far 0 83 0 - 8.9-17.6 HA ASP 38 - HB2 ARG 71 far 0 52 0 - 8.9-13.9 HA ASP 38 - HB3 ARG 71 far 0 51 0 - 9.4-15.2 HA LYS 39 - HB2 ARG 17 far 0 63 0 - 9.4-27.7 HA ARG 17 - HB2 ARG 71 far 0 52 0 - 9.5-26.5 HA GLU 19 - HB2 ARG 71 far 0 36 0 - 9.6-22.3 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 12 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 2.2-2.8 2.8=63, 779/4.0=16...(23) HG3 ARG 71 + HB3 ARG 71 OK 43 48 100 89 2.3-3.0 2.8=63, 779/4.0=16...(22) HB ILE 33 - HB2 ARG 17 far 0 71 0 - 6.5-23.1 HB3 LYS 32 - HB2 ARG 17 far 0 57 0 - 6.6-28.3 HB2 LEU 29 - HB2 ARG 17 far 0 65 0 - 6.9-22.8 HB2 LYS 32 - HB2 ARG 17 far 0 57 0 - 8.4-27.1 HB3 ARG 17 - HB3 ARG 71 far 0 51 0 - 8.6-25.7 HG3 ARG 71 - HB2 ARG 17 far 0 99 0 - 9.4-25.8 HB3 LYS 83 - HB3 ARG 71 far 0 28 0 - 9.6-30.1 HG3 ARG 26 - HB3 ARG 71 far 0 50 0 - 9.8-16.8 HB3 LYS 85 - HB3 ARG 71 far 0 35 0 - 9.8-33.4 Violated in 0 structures by 0.00 A. Peak 1158 from cnoeabs.peaks (1.62, 1.84, 30.61 ppm; 2.76 A): 4 out of 21 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=21...(31) * HG2 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.3-3.0 2.9=83, 1181/1.8=21...(31) HG2 ARG 71 + HB2 ARG 71 OK 52 52 100 100 2.4-3.0 2.8=96, 1.8/1157=18...(37) HG2 ARG 71 + HB3 ARG 71 OK 50 51 100 100 2.2-3.0 2.8=96, 1.8/1157=17...(37) HG3 ARG 70 - HB2 ARG 71 poor 10 50 20 - 3.8-7.4 HG3 ARG 70 - HB3 ARG 71 far 2 49 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 71 far 0 43 0 - 6.4-12.3 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 6.5-29.2 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 6.5-11.3 HD3 LYS 73 - HB2 ARG 71 far 0 49 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 44 0 - 7.5-11.9 HD2 LYS 32 - HB2 ARG 17 far 0 99 0 - 7.5-29.4 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.7-12.2 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.0-11.1 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.8-11.2 HD2 LYS 73 - HB2 ARG 71 far 0 49 0 - 8.9-10.8 HG2 ARG 71 - HB2 ARG 17 far 0 100 0 - 9.0-27.0 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 9.2-21.9 HB2 LEU 86 - HB2 ARG 71 far 0 51 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 50 0 - 9.7-17.8 HG3 ARG 84 - HB2 ARG 71 far 0 30 0 - 9.9-33.8 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 21 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=21...(31) HG2 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.3-3.0 2.9=83, 1181/1.8=21...(31) HG2 ARG 71 + HB2 ARG 71 OK 52 52 100 100 2.4-3.0 2.8=96, 1.8/1157=18...(37) HG2 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.2-3.0 2.8=96, 1.8/1157=17...(36) HG3 ARG 70 - HB2 ARG 71 poor 10 50 20 - 3.8-7.4 HG3 ARG 70 - HB3 ARG 71 far 2 49 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 71 far 0 44 0 - 6.4-12.3 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 6.5-29.2 HG3 ARG 27 - HB2 ARG 71 far 0 45 0 - 6.5-11.3 HD3 LYS 73 - HB2 ARG 71 far 0 48 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 45 0 - 7.5-11.9 HD2 LYS 32 - HB2 ARG 17 far 0 98 0 - 7.5-29.4 HG2 ARG 27 - HB2 ARG 71 far 0 46 0 - 7.7-12.2 HD3 LYS 73 - HB3 ARG 71 far 0 47 0 - 8.0-11.1 HD2 LYS 73 - HB3 ARG 71 far 0 47 0 - 8.8-11.2 HD2 LYS 73 - HB2 ARG 71 far 0 48 0 - 8.9-10.8 HG2 ARG 71 - HB2 ARG 17 far 0 100 0 - 9.0-27.0 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 9.2-21.9 HB2 LEU 86 - HB2 ARG 71 far 0 51 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 51 0 - 9.7-17.8 HG3 ARG 84 - HB2 ARG 71 far 0 29 0 - 9.9-33.8 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 21 assignments used, quality = 1.00: * HD2 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.1-3.9 3.6=81, 3.0/1158=20...(42) HD3 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 2.0-4.2 3.5=85, 2937/3.0=33...(32) HD2 ARG 71 + HB3 ARG 71 OK 36 36 100 99 2.1-4.2 3.5=85, 2937/3.0=33...(32) HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.7-11.6 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 6.3-12.3 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.5-12.1 HD2 ARG 71 - HB2 ARG 17 far 0 83 0 - 6.7-28.0 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.2-12.9 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 27 0 - 8.6-12.8 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 9.3-13.8 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 9.3-20.4 HD2 ARG 26 - HB2 ARG 17 far 0 93 0 - 9.4-20.4 HD2 ARG 82 - HB2 ARG 71 far 0 46 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 27 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 51 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 47 0 - 9.9-34.6 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 21 assignments used, quality = 1.00: HD2 ARG 17 + HB2 ARG 17 OK 99 100 100 99 2.1-3.9 3.6=81, 3.0/1158=20...(42) * HD3 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 2.0-4.2 3.5=85, 2937/3.0=33...(32) HD2 ARG 71 + HB3 ARG 71 OK 36 36 100 99 2.1-4.2 3.5=85, 2937/3.0=33...(32) HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.7-11.6 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 6.3-12.3 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.5-12.1 HD2 ARG 71 - HB2 ARG 17 far 0 83 0 - 6.7-28.0 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.2-12.9 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 27 0 - 8.6-12.8 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 9.3-13.8 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 9.3-20.4 HD2 ARG 26 - HB2 ARG 17 far 0 93 0 - 9.4-20.4 HD2 ARG 82 - HB2 ARG 71 far 0 46 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 27 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 51 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 47 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (8.38, 1.74, 30.61 ppm; 5.15 A): 3 out of 5 assignments used, quality = 1.00: * H ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-4.1 4.0=100 H GLY 18 + HB3 ARG 17 OK 73 73 100 100 2.0-4.4 4.3=100 H ALA 16 + HB3 ARG 17 OK 26 76 65 52 4.0-7.3 ~5486=25, 1146/3.0=13...(6) H GLY 21 - HB3 ARG 17 far 5 98 5 - 5.4-14.2 H GLY 21 - HB3 ARG 82 far 0 67 0 - 8.8-37.9 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (4.28, 1.74, 30.61 ppm; 3.72 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 19 - HB3 ARG 17 far 8 81 10 - 5.2-8.6 HA LEU 86 - HB2 ARG 84 far 5 49 10 - 5.1-8.1 HA ALA 20 - HB3 ARG 17 far 0 89 0 - 5.4-12.0 HA ASP 38 - HB3 ARG 17 far 0 100 0 - 7.2-23.6 HA LEU 86 - HB3 ARG 82 far 0 45 0 - 8.4-15.5 HA LYS 39 - HB3 ARG 17 far 0 63 0 - 9.8-27.1 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 9 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 - 7.4-26.7 HB2 LYS 73 - HB3 ARG 82 far 0 57 0 - 7.8-21.2 HB2 LYS 39 - HB2 ARG 54 far 0 41 0 - 8.1-12.3 HB3 ARG 71 - HB3 ARG 17 far 0 93 0 - 8.6-25.7 HB2 ARG 23 - HB3 ARG 82 far 0 69 0 - 8.8-35.1 HB ILE 89 - HB2 ARG 84 far 0 63 0 - 8.9-18.5 HB3 ARG 23 - HB3 ARG 82 far 0 68 0 - 9.6-36.0 HB2 ARG 23 - HB2 ARG 84 far 0 74 0 - 9.7-40.8 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 21 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=20...(36) HG3 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.2-3.0 2.9=76, 1.8/1181=20...(36) HG3 ARG 84 + HB2 ARG 84 OK 45 47 100 96 2.2-3.0 3.0=75, 3394/1.8=22...(29) HG2 ARG 84 + HB2 ARG 84 OK 45 47 100 96 2.3-3.0 3.0=75, 3402/1.8=22...(29) HG2 ARG 84 - HB3 ARG 82 far 4 43 10 - 3.3-9.4 HB2 LEU 86 - HB2 ARG 84 far 4 76 5 - 3.1-9.0 HG3 ARG 84 - HB3 ARG 82 far 2 43 5 - 4.1-9.8 HG2 ARG 26 - HB2 ARG 84 far 0 76 0 - 4.8-42.5 HB3 LEU 51 - HB2 ARG 54 far 0 36 0 - 4.9-6.5 HG LEU 86 - HB2 ARG 84 far 0 56 0 - 5.1-10.9 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 5.8-29.6 HD2 LYS 32 - HB3 ARG 17 far 0 99 0 - 6.8-29.7 HD2 LYS 73 - HB3 ARG 82 far 0 68 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 69 0 - 7.5-27.4 HG2 ARG 71 - HB3 ARG 82 far 0 71 0 - 7.8-29.3 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 8.2-17.1 HG3 ARG 70 - HB2 ARG 84 far 0 75 0 - 8.3-31.7 HG LEU 86 - HB3 ARG 82 far 0 52 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 68 0 - 8.5-23.0 HG2 ARG 26 - HB3 ARG 17 far 0 100 0 - 9.1-21.6 HG2 ARG 71 - HB3 ARG 17 far 0 100 0 - 9.5-26.0 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 21 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=20...(36) * HG3 ARG 17 + HB3 ARG 17 OK 96 100 100 96 2.2-3.0 2.9=76, 1.8/1181=20...(36) HG3 ARG 84 + HB2 ARG 84 OK 43 45 100 96 2.2-3.0 3.0=75, 3394/1.8=21...(29) HG2 ARG 84 + HB2 ARG 84 OK 43 45 100 96 2.3-3.0 3.0=75, 3402/1.8=21...(29) HG2 ARG 84 - HB3 ARG 82 far 4 41 10 - 3.3-9.4 HB2 LEU 86 - HB2 ARG 84 far 4 75 5 - 3.1-9.0 HG3 ARG 84 - HB3 ARG 82 far 2 41 5 - 4.1-9.8 HG2 ARG 26 - HB2 ARG 84 far 0 76 0 - 4.8-42.5 HB3 LEU 51 - HB2 ARG 54 far 0 35 0 - 4.9-6.5 HG LEU 86 - HB2 ARG 84 far 0 55 0 - 5.1-10.9 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 5.8-29.6 HD2 LYS 32 - HB3 ARG 17 far 0 98 0 - 6.8-29.7 HD2 LYS 73 - HB3 ARG 82 far 0 67 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 69 0 - 7.5-27.4 HG2 ARG 71 - HB3 ARG 82 far 0 71 0 - 7.8-29.3 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 8.2-17.1 HG3 ARG 70 - HB2 ARG 84 far 0 74 0 - 8.3-31.7 HG LEU 86 - HB3 ARG 82 far 0 50 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 67 0 - 8.5-23.0 HG2 ARG 26 - HB3 ARG 17 far 0 100 0 - 9.1-21.6 HG2 ARG 71 - HB3 ARG 17 far 0 100 0 - 9.5-26.0 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 19 assignments used, quality = 1.00: HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.2-4.2 3.6=100 * HD2 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-4.2 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 2.3-3.7 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.1-4.2 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 7 69 10 - 3.9-12.0 HD2 ARG 84 - HB3 ARG 82 far 6 63 10 - 5.2-10.3 HD2 ARG 26 - HB2 ARG 84 far 3 66 5 - 4.4-42.6 HD3 ARG 84 - HB3 ARG 82 far 3 65 5 - 4.9-11.0 HD3 ARG 66 - HB3 ARG 82 far 0 39 0 - 5.7-33.5 HD3 ARG 26 - HB2 ARG 84 far 0 65 0 - 6.0-42.7 HD2 ARG 71 - HB3 ARG 17 far 0 83 0 - 7.2-28.1 HD2 ARG 66 - HB3 ARG 82 far 0 36 0 - 7.3-31.9 HD2 ARG 71 - HB3 ARG 82 far 0 52 0 - 7.5-31.0 HD2 ARG 26 - HB3 ARG 82 far 0 61 0 - 8.1-39.5 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 8.2-20.0 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 8.6-20.2 HD3 ARG 26 - HB3 ARG 82 far 0 60 0 - 9.6-39.2 HD2 ARG 66 - HB2 ARG 84 far 0 39 0 - 9.6-37.0 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 19 assignments used, quality = 1.00: * HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.2-4.2 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-4.2 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 2.3-3.7 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.1-4.2 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 7 69 10 - 3.9-12.0 HD2 ARG 84 - HB3 ARG 82 far 6 63 10 - 5.2-10.3 HD2 ARG 26 - HB2 ARG 84 far 3 66 5 - 4.4-42.6 HD3 ARG 84 - HB3 ARG 82 far 3 65 5 - 4.9-11.0 HD3 ARG 66 - HB3 ARG 82 far 0 39 0 - 5.7-33.5 HD3 ARG 26 - HB2 ARG 84 far 0 65 0 - 6.0-42.7 HD2 ARG 71 - HB3 ARG 17 far 0 83 0 - 7.2-28.1 HD2 ARG 66 - HB3 ARG 82 far 0 36 0 - 7.3-31.9 HD2 ARG 71 - HB3 ARG 82 far 0 52 0 - 7.5-31.0 HD2 ARG 26 - HB3 ARG 82 far 0 61 0 - 8.1-39.5 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 8.2-20.0 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 8.6-20.2 HD3 ARG 26 - HB3 ARG 82 far 0 60 0 - 9.6-39.2 HD2 ARG 66 - HB2 ARG 84 far 0 39 0 - 9.6-37.0 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 30 assignments used, quality = 1.00: * HA ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.7 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 2.5-3.7 4.3=94, 3519/2.1=64...(17) HA THR 88 - HG LEU 86 poor 20 78 25 - 4.3-9.3 HA LEU 64 - HG2 ARG 27 poor 19 65 30 - 4.6-9.0 HA ALA 20 - HG2 ARG 26 poor 12 47 25 - 4.6-12.8 HA LEU 64 - HG3 ARG 27 far 10 64 15 - 5.0-8.3 HA GLU 19 - HG2 ARG 26 far 4 41 10 - 3.6-17.0 HA LEU 86 - HG2 ARG 26 far 2 37 5 - 5.4-47.7 HA LEU 86 - HG3 ARG 84 far 2 36 5 - 5.4-9.6 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 6.2-9.7 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 6.2-10.2 HA ALA 12 - HG2 ARG 26 far 0 43 0 - 6.5-31.4 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 6.7-13.4 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 6.7-22.4 HA SER 60 - HG2 ARG 27 far 0 82 0 - 6.9-13.9 HA LEU 64 - HG3 ARG 70 far 0 85 0 - 6.9-11.1 HA LEU 86 - HG2 ARG 84 far 0 36 0 - 6.9-10.0 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 7.8-13.9 HA SER 60 - HG3 ARG 27 far 0 80 0 - 8.4-13.3 HA ALA 20 - HG3 ARG 27 far 0 65 0 - 8.7-16.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 9.0-24.3 HA ASP 38 - HG LEU 86 far 0 79 0 - 9.1-38.6 HA LEU 86 - HG3 ARG 70 far 0 71 0 - 9.1-35.1 HA LEU 64 - HG LEU 86 far 0 62 0 - 9.2-46.5 HA ALA 12 - HG3 ARG 17 far 0 83 0 - 9.8-18.7 HA LEU 64 - HG2 ARG 26 far 0 46 0 - 9.8-14.9 HA SER 60 - HG LEU 86 far 0 79 0 - 9.8-51.7 HA ALA 20 - HG2 ARG 27 far 0 67 0 - 9.9-16.9 HA THR 88 - HG3 ARG 84 far 0 58 0 - 10.0-16.4 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 38 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 2.3-3.0 2.9=78, 1.8/1167=23...(26) HB2 ARG 27 + HG2 ARG 27 OK 71 73 100 97 2.4-3.0 2.9=82, 3.0/1418=15...(59) HB2 ARG 27 + HG3 ARG 27 OK 70 71 100 97 2.2-3.0 2.9=82, 3.0/1418=14...(59) HB3 ARG 27 + HG2 ARG 27 OK 70 71 100 97 2.3-3.0 2.9=82, 3.0/1418=15...(59) HB3 ARG 27 + HG3 ARG 27 OK 68 70 100 97 2.5-3.0 2.9=82, 3.0/1418=14...(59) HB2 ARG 71 - HG3 ARG 70 poor 19 93 20 - 3.8-7.4 HB3 ARG 71 - HG3 ARG 70 far 5 92 5 - 3.7-8.3 HB3 ARG 23 - HG3 ARG 27 far 4 77 5 - 3.9-9.9 HB2 ARG 27 - HG2 ARG 26 far 3 52 5 - 3.7-8.1 HB3 ARG 27 - HG2 ARG 26 far 3 51 5 - 3.3-8.4 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 78 0 - 4.6-9.3 HB2 ARG 23 - HG2 ARG 27 far 0 79 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 78 0 - 4.6-11.1 HB ILE 89 - HG LEU 86 far 0 65 0 - 4.7-14.2 HB2 LYS 73 - HG3 ARG 70 far 0 87 0 - 5.3-8.8 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 70 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 71 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 71 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 73 0 - 7.7-12.2 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.0-27.1 HB2 ARG 27 - HG LEU 86 far 0 70 0 - 8.0-48.6 HB ILE 89 - HG3 ARG 84 far 0 47 0 - 8.0-20.0 HB2 LYS 73 - HG2 ARG 84 far 0 46 0 - 8.2-25.1 HB2 LYS 39 - HG2 ARG 17 far 0 92 0 - 8.4-28.2 HB3 ARG 27 - HG LEU 86 far 0 68 0 - 8.6-49.0 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.2-21.9 HB2 LYS 73 - HG3 ARG 84 far 0 46 0 - 9.3-26.2 HB2 ARG 23 - HG3 ARG 70 far 0 98 0 - 9.4-18.2 HB2 ARG 27 - HG3 ARG 70 far 0 93 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 59 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 51 0 - 9.7-17.8 HB ILE 89 - HG2 ARG 84 far 0 47 0 - 9.8-19.8 HB2 ARG 71 - HG3 ARG 84 far 0 51 0 - 9.9-33.8 HB2 LYS 75 - HG2 ARG 27 far 0 81 0 - 10.0-22.9 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 55 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 2.2-3.0 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 2.2-3.0 3.0=54, 3380/1.8=15...(27) HB2 ARG 84 + HG2 ARG 84 OK 40 46 100 86 2.3-3.0 3.0=54, 3380/1.8=15...(27) HG3 ARG 71 - HG3 ARG 70 poor 10 97 25 41 2.3-7.7 779/5.0=11, 2932=9...(12) HG3 ARG 26 - HG2 ARG 27 far 8 81 10 - 2.7-9.3 HG3 ARG 26 - HG3 ARG 27 far 4 79 5 - 2.5-8.8 HB3 ARG 82 - HG2 ARG 84 far 2 39 5 - 3.3-9.4 HB3 LYS 83 - HG3 ARG 84 far 2 33 5 - 3.2-7.3 HB3 LYS 83 - HG2 ARG 84 far 2 33 5 - 3.4-7.1 HB3 LYS 85 - HG3 ARG 84 far 0 40 0 - 4.1-8.0 HB3 ARG 82 - HG3 ARG 84 far 0 39 0 - 4.1-9.8 HB2 LEU 29 - HG LEU 86 far 0 44 0 - 4.2-50.4 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 4.3-8.3 HB2 ARG 84 - HG2 ARG 26 far 0 47 0 - 4.8-42.5 HB2 ARG 84 - HG LEU 86 far 0 64 0 - 5.1-10.9 HB3 LYS 85 - HG2 ARG 84 far 0 40 0 - 5.4-7.5 HB3 LYS 85 - HG LEU 86 far 0 56 0 - 5.5-8.6 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 5.6-24.9 HG3 ARG 71 - HG3 ARG 27 far 0 77 0 - 5.8-11.5 HG3 ARG 26 - HG LEU 86 far 0 77 0 - 5.8-48.9 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 6.1-25.4 HG3 ARG 26 - HG2 ARG 84 far 0 57 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 57 0 - 6.2-41.1 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 6.6-25.0 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 6.7-25.0 HB ILE 33 - HG LEU 86 far 0 48 0 - 6.7-46.0 HB ILE 33 - HG3 ARG 27 far 0 50 0 - 6.7-11.1 HB2 LEU 29 - HG3 ARG 27 far 0 46 0 - 6.7-10.4 HG3 ARG 71 - HG2 ARG 27 far 0 78 0 - 6.7-12.6 HB2 LEU 29 - HG2 ARG 27 far 0 47 0 - 6.8-9.9 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 7.0-30.4 HB3 LYS 83 - HG3 ARG 70 far 0 66 0 - 7.4-27.8 HB3 ARG 82 - HG3 ARG 70 far 0 76 0 - 7.5-27.4 HB3 LYS 83 - HG LEU 86 far 0 46 0 - 7.6-14.6 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 7.8-22.3 HB ILE 33 - HG2 ARG 27 far 0 51 0 - 8.1-10.7 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 8.2-30.7 HB2 ARG 84 - HG3 ARG 70 far 0 87 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 41 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 79 0 - 8.4-29.8 HB3 ARG 82 - HG LEU 86 far 0 54 0 - 8.5-17.1 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.6-29.1 HG3 ARG 71 - HG2 ARG 26 far 0 57 0 - 9.1-18.5 HB3 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.1-21.6 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 9.2-29.4 HB2 LEU 62 - HG LEU 86 far 0 78 0 - 9.3-47.1 HG3 ARG 71 - HG3 ARG 84 far 0 56 0 - 9.3-35.7 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 9.3-28.8 HB2 LYS 32 - HG3 ARG 27 far 0 39 0 - 9.5-13.5 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 9.6-22.7 HG3 ARG 71 - HG2 ARG 84 far 0 56 0 - 9.8-34.7 HB2 LYS 32 - HG2 ARG 27 far 0 40 0 - 9.9-13.1 HB2 LEU 29 - HG2 ARG 84 far 0 31 0 - 10.0-42.9 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 60 assignments used, quality = 1.00: * HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + 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 2.3-3.0 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 2.4-3.0 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 2.4-3.0 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 far 8 81 10 - 3.9-8.4 HD3 ARG 23 - HG3 ARG 27 far 8 79 10 - 3.6-12.1 HD2 ARG 26 - HG2 ARG 27 far 7 71 10 - 3.1-10.1 HD2 ARG 26 - HG3 ARG 27 far 7 70 10 - 2.3-10.3 HD3 ARG 26 - HG2 ARG 27 far 7 70 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 4 81 5 - 3.6-11.5 HD3 ARG 23 - HG2 ARG 27 far 4 81 5 - 4.3-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 79 5 - 4.2-12.6 HD3 ARG 26 - HG3 ARG 27 far 3 69 5 - 3.4-10.3 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 82 - HG3 ARG 84 far 0 52 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 52 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 70 0 - 5.1-11.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 5.6-13.1 HD2 ARG 26 - HG3 ARG 84 far 0 50 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 50 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 52 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 72 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 95 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 49 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 49 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 93 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 97 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 68 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 94 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 83 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 67 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 97 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 83 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 99 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 31 0 - 10.0-35.1 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 60 assignments used, quality = 1.00: HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + 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 2.3-3.0 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 2.4-3.0 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 2.4-3.0 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 far 8 81 10 - 3.9-8.4 HD3 ARG 23 - HG3 ARG 27 far 8 79 10 - 3.6-12.1 HD2 ARG 26 - HG2 ARG 27 far 7 71 10 - 3.1-10.1 HD2 ARG 26 - HG3 ARG 27 far 7 70 10 - 2.3-10.3 HD3 ARG 26 - HG2 ARG 27 far 7 70 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 4 81 5 - 3.6-11.5 HD3 ARG 23 - HG2 ARG 27 far 4 81 5 - 4.3-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 79 5 - 4.2-12.6 HD3 ARG 26 - HG3 ARG 27 far 3 69 5 - 3.4-10.3 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 82 - HG3 ARG 84 far 0 52 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 52 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 70 0 - 5.1-11.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 5.6-13.1 HD2 ARG 26 - HG3 ARG 84 far 0 50 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 50 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 52 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 72 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 95 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 49 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 49 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 93 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 97 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 68 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 94 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 83 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 67 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 97 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 83 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 99 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 31 0 - 10.0-35.1 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 30 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 2.3-3.7 4.0=100 HA LEU 86 + HG LEU 86 OK 49 49 100 100 2.5-3.7 4.3=94, 3519/2.1=64...(17) HA LEU 64 - HG2 ARG 27 poor 20 66 30 - 4.6-9.0 HA THR 88 - HG LEU 86 poor 19 76 25 - 4.3-9.3 HA ALA 20 - HG2 ARG 26 poor 12 47 25 - 4.6-12.8 HA LEU 64 - HG3 ARG 27 far 10 65 15 - 5.0-8.3 HA GLU 19 - HG2 ARG 26 far 4 41 10 - 3.6-17.0 HA LEU 86 - HG2 ARG 26 far 2 37 5 - 5.4-47.7 HA LEU 86 - HG3 ARG 84 far 2 34 5 - 5.4-9.6 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 6.2-9.7 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 6.2-10.2 HA ALA 12 - HG2 ARG 26 far 0 43 0 - 6.5-31.4 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 6.7-13.4 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 6.7-22.4 HA SER 60 - HG2 ARG 27 far 0 83 0 - 6.9-13.9 HA LEU 64 - HG3 ARG 70 far 0 84 0 - 6.9-11.1 HA LEU 86 - HG2 ARG 84 far 0 34 0 - 6.9-10.0 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 7.8-13.9 HA SER 60 - HG3 ARG 27 far 0 82 0 - 8.4-13.3 HA ALA 20 - HG3 ARG 27 far 0 67 0 - 8.7-16.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 9.0-24.3 HA ASP 38 - HG LEU 86 far 0 76 0 - 9.1-38.6 HA LEU 86 - HG3 ARG 70 far 0 71 0 - 9.1-35.1 HA LEU 64 - HG LEU 86 far 0 60 0 - 9.2-46.5 HA ALA 12 - HG3 ARG 17 far 0 83 0 - 9.8-18.7 HA LEU 64 - HG2 ARG 26 far 0 46 0 - 9.8-14.9 HA SER 60 - HG LEU 86 far 0 76 0 - 9.8-51.7 HA ALA 20 - HG2 ARG 27 far 0 68 0 - 9.9-16.9 HA THR 88 - HG3 ARG 84 far 0 56 0 - 10.0-16.4 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 38 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 2.3-3.0 2.9=78, 1.8/1167=23...(26) HB2 ARG 27 + HG2 ARG 27 OK 72 74 100 97 2.4-3.0 2.9=82, 3.0/1418=15...(60) HB2 ARG 27 + HG3 ARG 27 OK 71 73 100 97 2.2-3.0 2.9=82, 3.0/1418=15...(59) HB3 ARG 27 + HG2 ARG 27 OK 71 73 100 97 2.3-3.0 2.9=82, 3.0/1418=15...(59) HB3 ARG 27 + HG3 ARG 27 OK 70 71 100 97 2.5-3.0 2.9=82, 3.0/1418=15...(59) HB2 ARG 71 - HG3 ARG 70 poor 18 92 20 - 3.8-7.4 HB3 ARG 71 - HG3 ARG 70 far 5 91 5 - 3.7-8.3 HB3 ARG 23 - HG3 ARG 27 far 4 78 5 - 3.9-9.9 HB2 ARG 27 - HG2 ARG 26 far 3 52 5 - 3.7-8.1 HB3 ARG 27 - HG2 ARG 26 far 3 51 5 - 3.3-8.4 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 80 0 - 4.6-9.3 HB2 ARG 23 - HG2 ARG 27 far 0 81 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 79 0 - 4.6-11.1 HB ILE 89 - HG LEU 86 far 0 63 0 - 4.7-14.2 HB2 LYS 73 - HG3 ARG 70 far 0 86 0 - 5.3-8.8 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 71 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 73 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 73 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 74 0 - 7.7-12.2 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.0-27.1 HB2 ARG 27 - HG LEU 86 far 0 68 0 - 8.0-48.6 HB ILE 89 - HG3 ARG 84 far 0 45 0 - 8.0-20.0 HB2 LYS 73 - HG2 ARG 84 far 0 44 0 - 8.2-25.1 HB2 LYS 39 - HG2 ARG 17 far 0 92 0 - 8.4-28.2 HB3 ARG 27 - HG LEU 86 far 0 66 0 - 8.6-49.0 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.2-21.9 HB2 LYS 73 - HG3 ARG 84 far 0 44 0 - 9.3-26.2 HB2 ARG 23 - HG3 ARG 70 far 0 97 0 - 9.4-18.2 HB2 ARG 27 - HG3 ARG 70 far 0 92 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 59 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 51 0 - 9.7-17.8 HB ILE 89 - HG2 ARG 84 far 0 45 0 - 9.8-19.8 HB2 ARG 71 - HG3 ARG 84 far 0 49 0 - 9.9-33.8 HB2 LYS 75 - HG2 ARG 27 far 0 83 0 - 10.0-22.9 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 55 assignments used, quality = 1.00: * HB3 ARG 17 + HG3 ARG 17 OK 89 100 100 89 2.2-3.0 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 2.2-3.0 3.0=54, 3379/1.8=15...(27) HB2 ARG 84 + HG2 ARG 84 OK 38 44 100 86 2.3-3.0 3.0=54, 3379/1.8=15...(27) HG3 ARG 71 - HG3 ARG 70 poor 10 97 25 41 2.3-7.7 779/5.0=11, 2932=9...(12) HG3 ARG 26 - HG2 ARG 27 far 8 82 10 - 2.7-9.3 HG3 ARG 26 - HG3 ARG 27 far 4 81 5 - 2.5-8.8 HB3 ARG 82 - HG2 ARG 84 far 2 37 5 - 3.3-9.4 HB3 LYS 83 - HG3 ARG 84 far 2 31 5 - 3.2-7.3 HB3 LYS 83 - HG2 ARG 84 far 2 31 5 - 3.4-7.1 HB3 LYS 85 - HG3 ARG 84 far 0 39 0 - 4.1-8.0 HB3 ARG 82 - HG3 ARG 84 far 0 37 0 - 4.1-9.8 HB2 LEU 29 - HG LEU 86 far 0 43 0 - 4.2-50.4 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 4.3-8.3 HB2 ARG 84 - HG2 ARG 26 far 0 47 0 - 4.8-42.5 HB2 ARG 84 - HG LEU 86 far 0 62 0 - 5.1-10.9 HB3 LYS 85 - HG2 ARG 84 far 0 39 0 - 5.4-7.5 HB3 LYS 85 - HG LEU 86 far 0 55 0 - 5.5-8.6 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 5.6-24.9 HG3 ARG 71 - HG3 ARG 27 far 0 78 0 - 5.8-11.5 HG3 ARG 26 - HG LEU 86 far 0 75 0 - 5.8-48.9 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 6.1-25.4 HG3 ARG 26 - HG2 ARG 84 far 0 55 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 55 0 - 6.2-41.1 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 6.6-25.0 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 6.7-25.0 HB ILE 33 - HG LEU 86 far 0 47 0 - 6.7-46.0 HB ILE 33 - HG3 ARG 27 far 0 51 0 - 6.7-11.1 HB2 LEU 29 - HG3 ARG 27 far 0 47 0 - 6.7-10.4 HG3 ARG 71 - HG2 ARG 27 far 0 80 0 - 6.7-12.6 HB2 LEU 29 - HG2 ARG 27 far 0 48 0 - 6.8-9.9 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 7.0-30.4 HB3 LYS 83 - HG3 ARG 70 far 0 66 0 - 7.4-27.8 HB3 ARG 82 - HG3 ARG 70 far 0 76 0 - 7.5-27.4 HB3 LYS 83 - HG LEU 86 far 0 45 0 - 7.6-14.6 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 7.8-22.3 HB ILE 33 - HG2 ARG 27 far 0 52 0 - 8.1-10.7 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 8.2-30.7 HB2 ARG 84 - HG3 ARG 70 far 0 86 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 41 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 78 0 - 8.4-29.8 HB3 ARG 82 - HG LEU 86 far 0 53 0 - 8.5-17.1 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.6-29.1 HG3 ARG 71 - HG2 ARG 26 far 0 57 0 - 9.1-18.5 HB3 ARG 17 - HG2 ARG 26 far 0 60 0 - 9.1-21.6 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 9.2-29.4 HB2 LEU 62 - HG LEU 86 far 0 76 0 - 9.3-47.1 HG3 ARG 71 - HG3 ARG 84 far 0 53 0 - 9.3-35.7 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 9.3-28.8 HB2 LYS 32 - HG3 ARG 27 far 0 40 0 - 9.5-13.5 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 9.6-22.7 HG3 ARG 71 - HG2 ARG 84 far 0 53 0 - 9.8-34.7 HB2 LYS 32 - HG2 ARG 27 far 0 41 0 - 9.9-13.1 HB2 LEU 29 - HG2 ARG 84 far 0 30 0 - 10.0-42.9 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 60 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 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD3 ARG 23 - HG3 ARG 27 far 8 81 10 - 3.6-12.1 HD2 ARG 71 - HG3 ARG 70 far 8 80 10 - 3.9-8.4 HD2 ARG 26 - HG2 ARG 27 far 7 73 10 - 3.1-10.1 HD2 ARG 26 - HG3 ARG 27 far 7 71 10 - 2.3-10.3 HD3 ARG 26 - HG2 ARG 27 far 7 71 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 4 82 5 - 3.6-11.5 HD3 ARG 23 - HG2 ARG 27 far 4 82 5 - 4.3-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 81 5 - 4.2-12.6 HD3 ARG 26 - HG3 ARG 27 far 3 70 5 - 3.4-10.3 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 4.7-13.8 HD2 ARG 82 - HG3 ARG 84 far 0 50 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 50 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 68 0 - 5.1-11.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 5.6-13.1 HD2 ARG 26 - HG3 ARG 84 far 0 48 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 48 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 52 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 70 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 94 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 47 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 47 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 92 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 96 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 66 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 93 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 83 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 65 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 96 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 83 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 98 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 30 0 - 10.0-35.1 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 60 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 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD3 ARG 23 - HG3 ARG 27 far 8 81 10 - 3.6-12.1 HD2 ARG 71 - HG3 ARG 70 far 8 80 10 - 3.9-8.4 HD2 ARG 26 - HG2 ARG 27 far 7 73 10 - 3.1-10.1 HD2 ARG 26 - HG3 ARG 27 far 7 71 10 - 2.3-10.3 HD3 ARG 26 - HG2 ARG 27 far 7 71 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 4 82 5 - 3.6-11.5 HD3 ARG 23 - HG2 ARG 27 far 4 82 5 - 4.3-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 81 5 - 4.2-12.6 HD3 ARG 26 - HG3 ARG 27 far 3 70 5 - 3.4-10.3 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 4.7-13.8 HD2 ARG 82 - HG3 ARG 84 far 0 50 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 50 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 68 0 - 5.1-11.1 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 5.6-13.1 HD2 ARG 26 - HG3 ARG 84 far 0 48 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 48 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 52 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 56 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 70 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 94 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 47 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 47 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 92 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 96 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 66 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 93 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 83 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 65 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 43 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 96 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 83 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 98 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 30 0 - 10.0-35.1 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.59 A): 4 out of 47 assignments used, quality = 1.00: HA ARG 17 + HD3 ARG 17 OK 100 100 100 100 2.0-5.4 5.0=77, 1152/1.8=43...(48) * HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 3.1-5.0 5.0=77, 1152/1.8=43...(48) HA LEU 64 + HD3 ARG 27 OK 22 83 55 48 4.3-8.4 2618/5019=29...(6) HA LEU 64 + HD2 ARG 27 OK 21 83 55 45 4.1-7.6 2618/5019=29...(3) HA LEU 86 - HD2 ARG 84 far 10 65 15 - 5.0-9.7 HA ALA 20 - HD2 ARG 26 far 8 78 10 - 5.5-13.9 HA GLU 19 - HD2 ARG 26 far 7 70 10 - 4.7-15.1 HA GLU 19 - HD3 ARG 26 far 7 69 10 - 3.1-15.4 HA ALA 20 - HD2 ARG 23 far 4 87 5 - 4.4-16.1 HA ALA 20 - HD3 ARG 23 far 4 87 5 - 4.9-15.0 HA GLU 19 - HD3 ARG 17 far 4 81 5 - 4.0-10.8 HA GLU 19 - HD2 ARG 17 far 4 81 5 - 4.9-11.7 HA ALA 20 - HD3 ARG 26 far 4 77 5 - 5.8-14.0 HA LEU 64 - HD3 ARG 66 far 1 25 5 - 5.6-9.0 HA LEU 64 - HD2 ARG 66 far 1 22 5 - 5.3-9.5 HA LEU 86 - HD3 ARG 84 far 0 67 0 - 6.4-10.6 HA ALA 20 - HD2 ARG 71 far 0 68 0 - 6.5-23.1 HA LEU 86 - HD2 ARG 82 far 0 62 0 - 6.7-16.3 HA ARG 17 - HD2 ARG 71 far 0 83 0 - 6.7-30.4 HA ALA 12 - HD2 ARG 26 far 0 72 0 - 7.2-32.7 HA ALA 12 - HD3 ARG 26 far 0 71 0 - 7.2-33.2 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 7.4-21.3 HA ARG 17 - HD2 ARG 26 far 0 93 0 - 7.4-21.1 HA SER 60 - HD3 ARG 27 far 0 98 0 - 7.5-12.8 HA GLU 19 - HD2 ARG 71 far 0 60 0 - 7.6-26.1 HA SER 60 - HD3 ARG 66 far 0 33 0 - 7.7-12.1 HA LEU 86 - HD2 ARG 26 far 0 63 0 - 7.8-48.2 HA SER 60 - HD2 ARG 66 far 0 30 0 - 7.9-12.2 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 7.9-14.6 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.0-10.1 HA ASP 38 - HD3 ARG 17 far 0 100 0 - 8.0-25.8 HA GLU 19 - HD2 ARG 23 far 0 79 0 - 8.1-17.1 HA THR 88 - HD2 ARG 84 far 0 94 0 - 8.1-16.3 HA LEU 86 - HD3 ARG 26 far 0 62 0 - 8.2-48.2 HA SER 60 - HD2 ARG 27 far 0 98 0 - 8.3-13.4 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 8.4-14.7 HA ALA 12 - HD3 ARG 17 far 0 83 0 - 8.6-19.1 HA LEU 64 - HD2 ARG 82 far 0 75 0 - 8.7-36.2 HA GLU 19 - HD3 ARG 23 far 0 79 0 - 8.7-16.8 HA ALA 12 - HD2 ARG 17 far 0 83 0 - 8.9-18.6 HA ARG 17 - HD3 ARG 23 far 0 100 0 - 9.0-23.7 HA LEU 64 - HD2 ARG 23 far 0 86 0 - 9.1-16.2 HA LEU 64 - HD2 ARG 26 far 0 76 0 - 9.2-15.7 HA ASP 38 - HD2 ARG 17 far 0 100 0 - 9.4-25.7 HA LEU 64 - HD3 ARG 23 far 0 86 0 - 9.6-15.6 HA THR 88 - HD3 ARG 84 far 0 96 0 - 9.6-16.5 HA LEU 64 - HD3 ARG 26 far 0 75 0 - 9.9-16.0 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 66 assignments used, quality = 1.00: * HB2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.1-3.9 3.6=52, 1161/1.8=20...(42) HB2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.1-3.8 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 + HD3 ARG 23 OK 93 98 100 94 2.0-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 93 98 100 94 2.3-3.7 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD2 ARG 23 OK 92 98 100 94 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 92 98 100 94 2.2-3.6 3.5=54, 1286/2.9=23...(33) HB2 ARG 27 + HD2 ARG 27 OK 85 91 100 94 2.3-4.0 3.5=54, 3.0/1420=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 85 91 100 93 2.2-4.2 3.5=54, 3.0/1420=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 83 89 100 93 2.1-4.2 3.5=54, 3.0/1420=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 83 89 100 93 2.0-3.8 3.5=54, 3.0/1420=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 65 74 100 88 2.0-4.2 3.5=54, 3.0/2902=20...(30) HB3 ARG 71 + HD2 ARG 71 OK 64 72 100 88 2.1-4.2 3.5=54, 3.0/2902=20...(30) HB3 ARG 23 - HD3 ARG 26 far 9 89 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 4 85 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 4 83 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 80 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 79 5 - 4.1-16.0 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 96 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 96 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 83 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 77 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 7.2-12.9 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 7.9-14.1 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 99 0 - 8.0-24.2 HB ILE 89 - HD2 ARG 84 far 0 81 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 99 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 28 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 94 0 - 8.7-40.5 HB2 LYS 73 - HD3 ARG 84 far 0 82 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 92 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 84 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 94 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 28 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 89 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 80 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 93 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 84 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 98 0 - 10.0-23.8 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 74 assignments used, quality = 1.00: HB3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.2-4.2 3.6=59, 1.8/1160=21...(35) * HB3 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.4-4.2 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 HG3 ARG 26 + HD3 ARG 26 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HD3 ARG 84 OK 79 82 100 96 2.2-4.2 3.5=63, 1.8/3418=31...(24) HB2 ARG 84 + HD2 ARG 84 OK 76 80 100 96 2.3-3.7 3.5=63, 1.8/3418=31...(24) HB3 ARG 82 + HD2 ARG 82 OK 56 67 100 84 2.1-4.2 3.6=56, 5479/3.0=39...(7) HB3 LYS 83 - HD2 ARG 82 far 6 58 10 - 4.2-10.3 HG3 ARG 26 - HD3 ARG 23 far 5 99 5 - 4.3-10.4 HG3 ARG 26 - HD3 ARG 84 far 5 96 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 26 far 4 78 5 - 4.4-42.6 HB2 ARG 84 - HD2 ARG 82 far 4 77 5 - 3.9-12.0 HB3 LYS 85 - HD3 ARG 84 far 4 74 5 - 4.4-9.3 HB3 LYS 85 - HD2 ARG 84 far 4 72 5 - 3.2-9.0 HB2 LEU 29 - HD2 ARG 26 far 3 56 5 - 4.1-9.9 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 4.7-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 4.7-12.0 HB3 LYS 83 - HD3 ARG 84 far 0 62 0 - 4.8-8.7 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 4.9-9.6 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 4.9-11.0 HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.0-10.3 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 99 0 - 5.2-10.3 HB3 LYS 83 - HD2 ARG 84 far 0 60 0 - 5.3-8.2 HG3 ARG 26 - HD2 ARG 84 far 0 93 0 - 5.5-42.8 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.6-24.7 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 5.6-30.5 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.6-9.2 HB3 ARG 82 - HD3 ARG 66 far 0 21 0 - 5.7-33.5 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 5.8-8.7 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 77 0 - 6.0-42.7 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 6.3-11.6 HB3 LYS 85 - HD2 ARG 71 far 0 60 0 - 6.4-35.9 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 6.6-24.8 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 6.7-12.8 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 6.9-31.0 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 6.9-11.0 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 6.9-24.8 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 92 0 - 7.1-39.0 HB3 ARG 17 - HD2 ARG 71 far 0 83 0 - 7.2-28.1 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 7.2-29.3 HB3 LYS 83 - HD2 ARG 71 far 0 50 0 - 7.3-32.7 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 7.4-12.5 HB3 ARG 82 - HD2 ARG 71 far 0 58 0 - 7.5-31.0 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 7.7-11.6 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-15.3 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 7.9-25.3 HB3 ARG 82 - HD2 ARG 26 far 0 68 0 - 8.1-39.5 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 100 0 - 8.4-22.0 HB2 LEU 29 - HD3 ARG 84 far 0 60 0 - 8.4-44.9 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 8.4-29.8 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 8.4-13.7 HG3 ARG 71 - HD2 ARG 82 far 0 89 0 - 8.4-30.9 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 8.6-19.7 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 8.6-11.3 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.6-20.2 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 8.7-11.2 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 8.7-22.2 HG2 PRO 34 - HD3 ARG 17 far 0 90 0 - 8.9-29.5 HB3 LYS 85 - HD3 ARG 27 far 0 76 0 - 9.0-38.4 HB2 LEU 29 - HD2 ARG 23 far 0 64 0 - 9.1-15.3 HB3 LYS 85 - HD2 ARG 26 far 0 70 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 64 0 - 9.5-15.3 HB3 ARG 82 - HD3 ARG 26 far 0 66 0 - 9.6-39.2 HB2 ARG 84 - HD2 ARG 66 far 0 23 0 - 9.6-37.0 HB3 LYS 85 - HD2 ARG 27 far 0 76 0 - 9.7-37.2 HB2 LYS 32 - HD3 ARG 27 far 0 54 0 - 9.7-13.3 HG3 ARG 71 - HD2 ARG 26 far 0 90 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 94 0 - 9.8-36.4 HG2 PRO 34 - HD2 ARG 17 far 0 90 0 - 9.8-28.8 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 86 assignments used, quality = 1.00: * HG2 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.3-3.0 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 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 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 94 2.2-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 86 91 100 94 2.3-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 27 + HD3 ARG 27 OK 86 91 100 95 2.2-3.0 3.0=88, 3.8/1421=6...(49) HG2 ARG 27 + HD2 ARG 27 OK 86 91 100 95 2.4-3.0 3.0=88, 1439/5.4=6...(49) HG3 ARG 27 + HD3 ARG 27 OK 85 89 100 95 2.4-3.0 3.0=88, 3.8/1421=6...(49) HG3 ARG 27 + HD2 ARG 27 OK 85 89 100 95 2.2-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 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 2.2-3.0 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) HB2 LEU 86 - HD2 ARG 84 far 9 94 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 26 far 8 85 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 8 83 10 - 2.3-10.3 HG3 ARG 70 - HD2 ARG 71 far 8 81 10 - 3.9-8.4 HG2 ARG 27 - HD2 ARG 23 far 5 93 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 93 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 92 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 92 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 26 far 4 83 5 - 3.3-10.6 HG3 ARG 27 - HD3 ARG 26 far 4 82 5 - 3.4-10.3 HG2 ARG 26 - HD3 ARG 84 far 0 96 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 4.7-13.8 HG3 ARG 84 - HD2 ARG 82 far 0 60 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 60 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 5.6-13.1 HG3 ARG 84 - HD2 ARG 26 far 0 61 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 61 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 94 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 95 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 89 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 92 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 60 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 60 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 92 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 89 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 93 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 72 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 91 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 8.3-14.2 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 83 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 71 0 - 8.4-50.6 HB2 LEU 86 - HD2 ARG 26 far 0 93 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 82 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 91 0 - 8.7-48.7 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 97 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 83 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 94 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 99 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 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 86 assignments used, quality = 1.00: * HG3 ARG 17 + HD2 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 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.3-3.0 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) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 94 2.2-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 27 + HD3 ARG 27 OK 88 92 100 95 2.2-3.0 3.0=88, 3.8/1420=6...(49) HG2 ARG 27 + HD2 ARG 27 OK 88 92 100 95 2.4-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 26 + HD3 ARG 26 OK 87 92 100 94 2.3-3.0 3.0=88, 1362/4.8=7...(22) HG3 ARG 27 + HD3 ARG 27 OK 86 91 100 95 2.4-3.0 3.0=88, 3.8/1420=6...(49) HG3 ARG 27 + HD2 ARG 27 OK 86 91 100 95 2.2-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 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 2.2-3.0 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) HB2 LEU 86 - HD2 ARG 84 far 9 93 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 26 far 9 86 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 8 85 10 - 2.3-10.3 HG3 ARG 70 - HD2 ARG 71 far 8 80 10 - 3.9-8.4 HG2 ARG 27 - HD2 ARG 23 far 5 95 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 95 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 93 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 93 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 26 far 4 84 5 - 3.3-10.6 HG3 ARG 27 - HD3 ARG 26 far 4 83 5 - 3.4-10.3 HG2 ARG 26 - HD3 ARG 84 far 0 96 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.7-13.8 HG3 ARG 84 - HD2 ARG 82 far 0 58 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 58 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 5.6-13.1 HG3 ARG 84 - HD2 ARG 26 far 0 59 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 59 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 94 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 74 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 94 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 88 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 91 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 57 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 57 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 92 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 88 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 92 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 96 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 70 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 90 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 8.3-14.2 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 83 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 69 0 - 8.4-50.6 HB2 LEU 86 - HD2 ARG 26 far 0 92 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 83 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 91 0 - 8.7-48.7 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 96 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 83 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 93 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 98 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 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): 4 out of 47 assignments used, quality = 1.00: * HA ARG 17 + HD3 ARG 17 OK 100 100 100 100 2.0-5.4 5.0=77, 1152/1.8=43...(48) HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 3.1-5.0 5.0=77, 1152/1.8=43...(48) HA LEU 64 + HD3 ARG 27 OK 22 83 55 48 4.3-8.4 2618/5019=29...(6) HA LEU 64 + HD2 ARG 27 OK 21 83 55 45 4.1-7.6 2618/5019=29...(3) HA LEU 86 - HD2 ARG 84 far 10 65 15 - 5.0-9.7 HA ALA 20 - HD2 ARG 26 far 8 78 10 - 5.5-13.9 HA GLU 19 - HD2 ARG 26 far 7 70 10 - 4.7-15.1 HA GLU 19 - HD3 ARG 26 far 7 69 10 - 3.1-15.4 HA ALA 20 - HD2 ARG 23 far 4 87 5 - 4.4-16.1 HA ALA 20 - HD3 ARG 23 far 4 87 5 - 4.9-15.0 HA GLU 19 - HD3 ARG 17 far 4 81 5 - 4.0-10.8 HA GLU 19 - HD2 ARG 17 far 4 81 5 - 4.9-11.7 HA ALA 20 - HD3 ARG 26 far 4 77 5 - 5.8-14.0 HA LEU 64 - HD3 ARG 66 far 1 25 5 - 5.6-9.0 HA LEU 64 - HD2 ARG 66 far 1 22 5 - 5.3-9.5 HA LEU 86 - HD3 ARG 84 far 0 67 0 - 6.4-10.6 HA ALA 20 - HD2 ARG 71 far 0 68 0 - 6.5-23.1 HA LEU 86 - HD2 ARG 82 far 0 62 0 - 6.7-16.3 HA ARG 17 - HD2 ARG 71 far 0 83 0 - 6.7-30.4 HA ALA 12 - HD2 ARG 26 far 0 72 0 - 7.2-32.7 HA ALA 12 - HD3 ARG 26 far 0 71 0 - 7.2-33.2 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 7.4-21.3 HA ARG 17 - HD2 ARG 26 far 0 93 0 - 7.4-21.1 HA SER 60 - HD3 ARG 27 far 0 98 0 - 7.5-12.8 HA GLU 19 - HD2 ARG 71 far 0 60 0 - 7.6-26.1 HA SER 60 - HD3 ARG 66 far 0 33 0 - 7.7-12.1 HA LEU 86 - HD2 ARG 26 far 0 63 0 - 7.8-48.2 HA SER 60 - HD2 ARG 66 far 0 30 0 - 7.9-12.2 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 7.9-14.6 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.0-10.1 HA ASP 38 - HD3 ARG 17 far 0 100 0 - 8.0-25.8 HA GLU 19 - HD2 ARG 23 far 0 79 0 - 8.1-17.1 HA THR 88 - HD2 ARG 84 far 0 94 0 - 8.1-16.3 HA LEU 86 - HD3 ARG 26 far 0 62 0 - 8.2-48.2 HA SER 60 - HD2 ARG 27 far 0 98 0 - 8.3-13.4 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 8.4-14.7 HA ALA 12 - HD3 ARG 17 far 0 83 0 - 8.6-19.1 HA LEU 64 - HD2 ARG 82 far 0 75 0 - 8.7-36.2 HA GLU 19 - HD3 ARG 23 far 0 79 0 - 8.7-16.8 HA ALA 12 - HD2 ARG 17 far 0 83 0 - 8.9-18.6 HA ARG 17 - HD3 ARG 23 far 0 100 0 - 9.0-23.7 HA LEU 64 - HD2 ARG 23 far 0 86 0 - 9.1-16.2 HA LEU 64 - HD2 ARG 26 far 0 76 0 - 9.2-15.7 HA ASP 38 - HD2 ARG 17 far 0 100 0 - 9.4-25.7 HA LEU 64 - HD3 ARG 23 far 0 86 0 - 9.6-15.6 HA THR 88 - HD3 ARG 84 far 0 96 0 - 9.6-16.5 HA LEU 64 - HD3 ARG 26 far 0 75 0 - 9.9-16.0 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 66 assignments used, quality = 1.00: HB2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.1-3.9 3.6=52, 1161/1.8=20...(42) * HB2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.1-3.8 3.6=52, 1161/1.8=20...(42) HB2 ARG 23 + HD3 ARG 23 OK 93 98 100 94 2.0-3.9 3.5=54, 1286/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 93 98 100 94 2.3-3.7 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD2 ARG 23 OK 92 98 100 94 2.1-3.9 3.5=54, 1286/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 92 98 100 94 2.2-3.6 3.5=54, 1286/2.9=23...(33) HB2 ARG 27 + HD2 ARG 27 OK 85 91 100 94 2.3-4.0 3.5=54, 3.0/1420=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 85 91 100 93 2.2-4.2 3.5=54, 3.0/1420=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 83 89 100 93 2.1-4.2 3.5=54, 3.0/1420=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 83 89 100 93 2.0-3.8 3.5=54, 3.0/1420=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 65 74 100 88 2.0-4.2 3.5=54, 3.0/2902=20...(30) HB3 ARG 71 + HD2 ARG 71 OK 64 72 100 88 2.1-4.2 3.5=54, 3.0/2902=20...(30) HB3 ARG 23 - HD3 ARG 26 far 9 89 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 4 85 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 4 83 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 80 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 79 5 - 4.1-16.0 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 96 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 96 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 83 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 77 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 7.2-12.9 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 7.9-14.1 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 99 0 - 8.0-24.2 HB ILE 89 - HD2 ARG 84 far 0 81 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 99 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 28 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 94 0 - 8.7-40.5 HB2 LYS 73 - HD3 ARG 84 far 0 82 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 92 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 84 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 94 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 28 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 89 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 80 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 93 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 84 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 98 0 - 10.0-23.8 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 74 assignments used, quality = 1.00: * HB3 ARG 17 + HD3 ARG 17 OK 96 100 100 96 2.2-4.2 3.6=59, 1.8/1160=21...(35) HB3 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.4-4.2 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 HG3 ARG 26 + HD3 ARG 26 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HD3 ARG 84 OK 79 82 100 96 2.2-4.2 3.5=63, 1.8/3418=31...(24) HB2 ARG 84 + HD2 ARG 84 OK 76 80 100 96 2.3-3.7 3.5=63, 1.8/3418=31...(24) HB3 ARG 82 + HD2 ARG 82 OK 56 67 100 84 2.1-4.2 3.6=56, 5479/3.0=39...(7) HB3 LYS 83 - HD2 ARG 82 far 6 58 10 - 4.2-10.3 HG3 ARG 26 - HD3 ARG 23 far 5 99 5 - 4.3-10.4 HG3 ARG 26 - HD3 ARG 84 far 5 96 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 26 far 4 78 5 - 4.4-42.6 HB2 ARG 84 - HD2 ARG 82 far 4 77 5 - 3.9-12.0 HB3 LYS 85 - HD3 ARG 84 far 4 74 5 - 4.4-9.3 HB3 LYS 85 - HD2 ARG 84 far 4 72 5 - 3.2-9.0 HB2 LEU 29 - HD2 ARG 26 far 3 56 5 - 4.1-9.9 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 4.7-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 4.7-12.0 HB3 LYS 83 - HD3 ARG 84 far 0 62 0 - 4.8-8.7 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 4.9-9.6 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 4.9-11.0 HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 5.0-10.3 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 99 0 - 5.2-10.3 HB3 LYS 83 - HD2 ARG 84 far 0 60 0 - 5.3-8.2 HG3 ARG 26 - HD2 ARG 84 far 0 93 0 - 5.5-42.8 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.6-24.7 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 5.6-30.5 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.6-9.2 HB3 ARG 82 - HD3 ARG 66 far 0 21 0 - 5.7-33.5 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 5.8-8.7 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 77 0 - 6.0-42.7 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 6.3-11.6 HB3 LYS 85 - HD2 ARG 71 far 0 60 0 - 6.4-35.9 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 6.6-24.8 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 6.7-12.8 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 6.9-31.0 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 6.9-11.0 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 6.9-24.8 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 92 0 - 7.1-39.0 HB3 ARG 17 - HD2 ARG 71 far 0 83 0 - 7.2-28.1 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 7.2-29.3 HB3 LYS 83 - HD2 ARG 71 far 0 50 0 - 7.3-32.7 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 7.4-12.5 HB3 ARG 82 - HD2 ARG 71 far 0 58 0 - 7.5-31.0 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 7.7-11.6 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-15.3 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 7.9-25.3 HB3 ARG 82 - HD2 ARG 26 far 0 68 0 - 8.1-39.5 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 100 0 - 8.4-22.0 HB2 LEU 29 - HD3 ARG 84 far 0 60 0 - 8.4-44.9 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 8.4-29.8 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 8.4-13.7 HG3 ARG 71 - HD2 ARG 82 far 0 89 0 - 8.4-30.9 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 8.6-19.7 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 8.6-11.3 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 8.6-20.2 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 8.7-11.2 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 8.7-22.2 HG2 PRO 34 - HD3 ARG 17 far 0 90 0 - 8.9-29.5 HB3 LYS 85 - HD3 ARG 27 far 0 76 0 - 9.0-38.4 HB2 LEU 29 - HD2 ARG 23 far 0 64 0 - 9.1-15.3 HB3 LYS 85 - HD2 ARG 26 far 0 70 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 64 0 - 9.5-15.3 HB3 ARG 82 - HD3 ARG 26 far 0 66 0 - 9.6-39.2 HB2 ARG 84 - HD2 ARG 66 far 0 23 0 - 9.6-37.0 HB3 LYS 85 - HD2 ARG 27 far 0 76 0 - 9.7-37.2 HB2 LYS 32 - HD3 ARG 27 far 0 54 0 - 9.7-13.3 HG3 ARG 71 - HD2 ARG 26 far 0 90 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 94 0 - 9.8-36.4 HG2 PRO 34 - HD2 ARG 17 far 0 90 0 - 9.8-28.8 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 86 assignments used, quality = 1.00: HG2 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.3-3.0 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 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 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 94 2.2-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 86 91 100 94 2.3-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 27 + HD3 ARG 27 OK 86 91 100 95 2.2-3.0 3.0=88, 3.8/1421=6...(49) HG2 ARG 27 + HD2 ARG 27 OK 86 91 100 95 2.4-3.0 3.0=88, 1439/5.4=6...(49) HG3 ARG 27 + HD3 ARG 27 OK 85 89 100 95 2.4-3.0 3.0=88, 3.8/1421=6...(49) HG3 ARG 27 + HD2 ARG 27 OK 85 89 100 95 2.2-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 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 2.2-3.0 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) HB2 LEU 86 - HD2 ARG 84 far 9 94 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 26 far 8 85 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 8 83 10 - 2.3-10.3 HG3 ARG 70 - HD2 ARG 71 far 8 81 10 - 3.9-8.4 HG2 ARG 27 - HD2 ARG 23 far 5 93 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 93 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 92 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 92 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 26 far 4 83 5 - 3.3-10.6 HG3 ARG 27 - HD3 ARG 26 far 4 82 5 - 3.4-10.3 HG2 ARG 26 - HD3 ARG 84 far 0 96 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 4.7-13.8 HG3 ARG 84 - HD2 ARG 82 far 0 60 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 60 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 5.6-13.1 HG3 ARG 84 - HD2 ARG 26 far 0 61 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 61 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 94 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 95 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 89 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 92 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 60 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 60 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 92 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 89 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 93 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 72 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 91 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 8.3-14.2 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 83 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 71 0 - 8.4-50.6 HB2 LEU 86 - HD2 ARG 26 far 0 93 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 82 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 91 0 - 8.7-48.7 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 97 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 83 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 94 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 99 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 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 86 assignments used, quality = 1.00: HG3 ARG 17 + HD2 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 2.3-3.0 3.0=86, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 96 100 100 96 2.3-3.0 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) HG2 ARG 26 + HD2 ARG 26 OK 88 93 100 94 2.2-3.0 3.0=88, 1362/4.8=7...(22) HG2 ARG 27 + HD3 ARG 27 OK 88 92 100 95 2.2-3.0 3.0=88, 3.8/1420=6...(49) HG2 ARG 27 + HD2 ARG 27 OK 88 92 100 95 2.4-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 26 + HD3 ARG 26 OK 87 92 100 94 2.3-3.0 3.0=88, 1362/4.8=7...(22) HG3 ARG 27 + HD3 ARG 27 OK 86 91 100 95 2.4-3.0 3.0=88, 3.8/1420=6...(49) HG3 ARG 27 + HD2 ARG 27 OK 86 91 100 95 2.2-3.0 3.0=88, 1439/5.4=6...(49) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 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 2.2-3.0 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) HB2 LEU 86 - HD2 ARG 84 far 9 93 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 26 far 9 86 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 8 85 10 - 2.3-10.3 HG3 ARG 70 - HD2 ARG 71 far 8 80 10 - 3.9-8.4 HG2 ARG 27 - HD2 ARG 23 far 5 95 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 95 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 93 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 93 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 26 far 4 84 5 - 3.3-10.6 HG3 ARG 27 - HD3 ARG 26 far 4 83 5 - 3.4-10.3 HG2 ARG 26 - HD3 ARG 84 far 0 96 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.7-13.8 HG3 ARG 84 - HD2 ARG 82 far 0 58 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 58 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 5.6-13.1 HG3 ARG 84 - HD2 ARG 26 far 0 59 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 59 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 94 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 98 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 74 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 94 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 88 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 91 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 57 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 57 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 92 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 88 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 92 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 96 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 70 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 90 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 8.3-14.2 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 83 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 69 0 - 8.4-50.6 HB2 LEU 86 - HD2 ARG 26 far 0 92 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 83 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 91 0 - 8.7-48.7 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 96 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 83 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 93 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 98 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 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 6 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 - 3.4-6.9 H LYS 83 - HA LYS 85 far 2 49 5 - 4.8-9.4 H ASP 24 - HA GLU 19 far 0 93 0 - 9.2-14.3 H ASP 24 - HA LYS 85 far 0 46 0 - 9.7-39.0 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 10 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 4 80 5 - 5.0-9.4 HB3 GLU 87 - HA LYS 85 far 0 54 0 - 5.3-9.5 HB3 ARG 26 - HA GLU 19 far 0 60 0 - 5.8-16.3 HB3 PRO 14 - HA ARG 17 far 0 54 0 - 7.6-11.9 HB3 ARG 26 - HA ARG 17 far 0 41 0 - 7.9-21.6 HB3 ARG 26 - HA LYS 85 far 0 26 0 - 8.1-44.1 HB3 PRO 14 - HA GLU 19 far 0 76 0 - 9.0-18.5 HB VAL 41 - HA GLU 19 far 0 83 0 - 9.5-22.7 HG12 ILE 40 - HA GLU 19 far 0 100 0 - 9.8-22.1 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 15 assignments used, quality = 1.00: * HB3 GLU 19 + HA GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 25 - HA LYS 85 far 2 43 5 - 3.9-40.9 HB2 GLU 25 - HA LYS 85 far 0 44 0 - 5.3-40.3 HB3 GLU 25 - HA ARG 17 far 0 67 0 - 5.7-18.7 HB3 GLU 25 - HA GLU 19 far 0 90 0 - 5.9-14.3 HB2 GLU 87 - HA LYS 85 far 0 52 0 - 6.2-9.7 HB2 GLU 25 - HA ARG 17 far 0 68 0 - 6.2-17.7 HB3 GLU 19 - HA ARG 17 far 0 80 0 - 6.5-9.3 HB2 GLU 25 - HA GLU 19 far 0 92 0 - 6.7-12.9 HB3 GLU 25 - HA LYS 83 far 0 78 0 - 8.1-35.0 HB2 GLU 25 - HA LYS 83 far 0 80 0 - 8.2-34.7 HB VAL 45 - HA LYS 83 far 0 55 0 - 8.2-32.2 HB VAL 76 - HA GLU 19 far 0 99 0 - 8.5-32.5 HB VAL 45 - HA LYS 85 far 0 28 0 - 8.8-33.7 HB VAL 76 - HA LYS 83 far 0 90 0 - 9.9-18.6 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 2.1-3.8 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 - 4.5-10.1 HG2 GLU 87 - HA LYS 85 far 0 43 0 - 5.3-10.1 HG2 GLU 19 - HA ARG 17 far 0 80 0 - 5.4-10.5 HG3 GLU 87 - HA LYS 85 far 0 44 0 - 5.9-9.7 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 6.0-12.9 HG2 GLU 25 - HA LYS 85 far 0 27 0 - 6.2-38.3 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 7.2-16.6 HG2 GLU 25 - HA LYS 83 far 0 52 0 - 8.7-33.8 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 2.1-3.8 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 - 4.5-10.1 HG2 GLU 87 - HA LYS 85 far 0 43 0 - 5.3-10.1 HG2 GLU 19 - HA ARG 17 far 0 80 0 - 5.4-10.5 HG3 GLU 87 - HA LYS 85 far 0 44 0 - 5.9-9.7 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 6.0-12.9 HG2 GLU 25 - HA LYS 85 far 0 27 0 - 6.2-38.3 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 7.2-16.6 HG2 GLU 25 - HA LYS 83 far 0 52 0 - 8.7-33.8 Violated in 0 structures by 0.00 A. Peak 1212 from cnoeabs.peaks (8.32, 1.91, 30.05 ppm; 4.54 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.3-3.9 3.9=100 H ASP 24 - HB3 ARG 26 far 0 50 0 - 6.4-7.7 H GLU 19 - HB3 ARG 26 far 0 59 0 - 7.2-17.0 H ASP 24 - HB2 GLU 19 far 0 93 0 - 8.1-14.6 H LYS 83 - HB3 GLU 87 far 0 86 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (4.26, 1.91, 30.05 ppm; 3.73 A): 2 out of 16 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 OK 46 100 55 85 4.1-6.0 1219/1.8=26, ~29=26...(18) HA THR 88 - HB3 GLU 87 poor 15 64 45 51 4.1-6.0 ~402=22, 3.0/4032=18...(7) HA ARG 17 - HB2 GLU 19 far 4 81 5 - 5.0-9.4 HA ASP 38 - HB2 GLU 19 far 4 78 5 - 4.9-20.4 HA LYS 85 - HB3 GLU 87 far 0 52 0 - 5.3-9.5 HA THR 15 - HB2 GLU 19 far 0 97 0 - 5.6-15.2 HA GLU 19 - HB3 ARG 26 far 0 59 0 - 5.8-16.3 HA ALA 12 - HB3 ARG 26 far 0 59 0 - 6.9-32.3 HA THR 15 - HB3 ARG 26 far 0 54 0 - 7.0-23.7 HA ALA 20 - HB3 ARG 26 far 0 58 0 - 7.1-13.4 HA LYS 75 - HB2 GLU 19 far 0 95 0 - 7.7-30.7 HA ARG 17 - HB3 ARG 26 far 0 41 0 - 7.9-21.6 HA LYS 85 - HB3 ARG 26 far 0 30 0 - 8.1-44.1 HA THR 88 - HB2 GLN 91 far 0 35 0 - 8.2-11.9 HA LYS 39 - HB2 GLU 19 far 0 99 0 - 8.8-23.9 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 11 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 - HB3 ARG 26 far 0 49 0 - 4.2-7.5 HB3 GLU 25 - HB2 GLU 19 far 0 90 0 - 4.3-15.2 HB3 GLU 25 - HB3 ARG 26 far 0 48 0 - 4.5-6.5 HB VAL 90 - HB2 GLN 91 far 0 39 0 - 4.8-7.5 HB2 GLU 25 - HB2 GLU 19 far 0 92 0 - 5.0-13.7 HB VAL 90 - HB3 GLU 87 far 0 70 0 - 7.3-12.1 HB3 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.7-16.6 HB VAL 76 - HB2 GLU 19 far 0 99 0 - 8.1-33.1 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 2.4-3.0 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 2.3-2.9 3.0=100 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 5.4-13.9 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 6.2-8.1 HG2 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.5-18.3 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.7-18.6 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 9.0-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.9-17.0 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 2.4-3.0 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 2.3-2.9 3.0=100 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 5.4-13.9 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 6.2-8.1 HG2 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.5-18.3 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.7-18.6 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 9.0-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.9-17.0 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 2 assignments used, quality = 1.00: * H GLU 19 + HB3 GLU 19 OK 100 100 100 100 2.5-4.1 3.9=100 H ASP 24 - HB3 GLU 19 far 0 93 0 - 7.5-14.2 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (4.26, 2.04, 30.05 ppm; 3.94 A): 3 out of 10 assignments used, quality = 1.00: * HA GLU 19 + HB3 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 20 + HB3 GLU 19 OK 76 100 85 89 3.9-6.0 3.0/29=42, 1213/1.8=23...(18) HA THR 88 + HB2 GLU 87 OK 23 62 65 57 4.1-6.2 ~402=25, ~4032=17...(8) HA ASP 38 - HB3 GLU 19 far 4 78 5 - 3.8-20.6 HA LYS 85 - HB2 GLU 87 far 0 50 0 - 6.2-9.7 HA ARG 17 - HB3 GLU 19 far 0 81 0 - 6.5-9.3 HA THR 15 - HB3 GLU 19 far 0 97 0 - 7.3-15.3 HA LYS 75 - HB3 GLU 19 far 0 95 0 - 8.1-30.3 HA LYS 39 - HB3 GLU 19 far 0 99 0 - 8.2-24.3 HA THR 88 - HB3 GLN 91 far 0 40 0 - 9.0-12.6 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 8 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 HB VAL 41 - HB3 GLU 19 far 0 83 0 - 6.8-23.5 HB3 PRO 14 - HB3 GLU 19 far 0 76 0 - 7.4-19.5 HB3 ARG 26 - HB3 GLU 19 far 0 60 0 - 7.7-16.6 HG12 ILE 40 - HB3 GLU 19 far 0 100 0 - 9.0-23.4 HG13 ILE 68 - HB3 GLU 19 far 0 93 0 - 9.4-21.7 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 5 assignments used, quality = 1.00: * 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 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 61 77 100 79 2.2-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 60 76 100 79 2.5-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 25 - HB3 GLU 19 far 3 63 5 - 4.1-13.9 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 5 assignments used, quality = 1.00: 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 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 61 77 100 79 2.2-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 60 76 100 79 2.5-3.0 3.0=71, 1.8/2205=11...(10) HG2 GLU 25 - HB3 GLU 19 far 3 63 5 - 4.1-13.9 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 7 assignments used, quality = 1.00: H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.5 4.9=96, 493/3.0=82...(12) * H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-4.9 4.9=96, 493/3.0=82...(12) H ASP 24 + HG2 GLU 25 OK 27 53 90 56 4.0-6.7 50/5.0=47, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 6 62 10 - 3.2-13.4 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.2-17.8 H ASP 24 - HG2 GLU 19 far 0 93 0 - 9.3-15.3 H ASP 24 - HG3 GLU 19 far 0 93 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 4 out of 27 assignments used, quality = 1.00: * HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.1-3.8 3.9=100 HA GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.2 3.9=100 HA ALA 20 + HG2 GLU 19 OK 30 100 35 86 4.1-6.7 1219/3.0=22, ~29=20...(13) HA ALA 20 + HG3 GLU 19 OK 21 100 25 86 3.2-7.1 1219/3.0=22, ~29=20...(13) HA THR 88 - HG3 GLU 87 poor 14 64 45 50 4.2-6.7 3.0/5921=18, ~5921=13...(8) HA THR 88 - HG2 GLU 87 poor 14 63 45 50 3.7-7.2 3.0/5921=17, ~5921=14...(8) HA ARG 17 - HG3 GLU 19 far 8 81 10 - 4.5-10.1 HA ALA 20 - HG2 GLU 25 far 6 61 10 - 4.4-10.0 HA LYS 85 - HG2 GLU 87 far 5 51 10 - 5.3-10.1 HA THR 15 - HG3 GLU 19 far 5 97 5 - 5.3-15.9 HA ASP 38 - HG2 GLU 19 far 4 78 5 - 4.7-22.1 HA ARG 17 - HG2 GLU 19 far 0 81 0 - 5.4-10.5 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 5.5-22.1 HA LYS 75 - HG2 GLU 25 far 0 54 0 - 5.5-22.7 HA LYS 85 - HG3 GLU 87 far 0 52 0 - 5.9-9.7 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 6.0-12.9 HA LYS 85 - HG2 GLU 25 far 0 32 0 - 6.2-38.3 HA THR 15 - HG2 GLU 19 far 0 97 0 - 6.8-14.7 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 6.9-11.7 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 7.2-16.6 HA LYS 75 - HG2 GLU 19 far 0 95 0 - 7.7-31.9 HA LYS 75 - HG3 GLU 19 far 0 95 0 - 7.9-32.5 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 8.4-25.7 HA LYS 39 - HG3 GLU 50 far 0 71 0 - 8.5-15.0 HA LYS 83 - HG2 GLU 25 far 0 53 0 - 8.7-33.8 HA THR 15 - HG2 GLU 25 far 0 56 0 - 9.3-23.4 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 9.5-25.6 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 21 assignments used, quality = 1.00: HB2 GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-2.9 3.0=100 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 5.4-13.9 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 6.2-8.1 HB3 PRO 14 - HG3 GLU 19 far 0 76 0 - 6.2-19.9 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 6.7-25.0 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 6.9-11.0 HB3 PRO 14 - HG2 GLU 19 far 0 76 0 - 7.2-18.8 HB VAL 41 - HG3 GLU 19 far 0 83 0 - 7.2-25.2 HB ILE 68 - HG2 GLU 25 far 0 54 0 - 7.4-11.3 HB3 ARG 26 - HG2 GLU 19 far 0 60 0 - 7.5-18.3 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 7.7-18.6 HB VAL 41 - HG2 GLU 25 far 0 45 0 - 7.7-13.8 HG12 ILE 40 - HG2 GLU 25 far 0 61 0 - 7.9-11.9 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 9.0-16.5 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.2-24.4 HG12 ILE 40 - HG2 GLU 19 far 0 100 0 - 9.2-24.3 HB2 MET 31 - HG2 GLU 25 far 0 35 0 - 9.6-13.7 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.9-17.0 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 21 assignments used, quality = 1.00: * HB3 GLU 19 + HG2 GLU 19 OK 81 100 100 81 2.3-3.0 3.0=62, 1222/1.8=17...(11) HB3 GLU 19 + HG3 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 2.2-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 87 + HG2 GLU 87 OK 66 88 100 75 2.5-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.4-3.0 3.0=64, 1.8/2196=19...(6) HB3 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.4-3.0 3.0=64, 1.8/2196=19...(6) HB2 GLU 25 + HG2 GLU 25 OK 47 52 100 92 2.2-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 + HG2 GLU 25 OK 46 50 100 92 2.2-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 - HG3 GLU 19 far 5 90 5 - 3.8-17.5 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.1-13.9 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 99 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 99 0 - 6.0-34.7 HB VAL 76 - HG2 GLU 25 far 0 60 0 - 6.8-21.1 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 6.9-8.1 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 8.6-10.4 HD3 ARG 69 - HG3 GLU 50 far 0 70 0 - 9.8-14.3 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 7 assignments used, quality = 1.00: * H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.5 4.9=96, 493/3.0=82...(12) H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-4.9 4.9=96, 493/3.0=82...(12) H ASP 24 + HG2 GLU 25 OK 27 53 90 56 4.0-6.7 50/5.0=47, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 6 62 10 - 3.2-13.4 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.2-17.8 H ASP 24 - HG2 GLU 19 far 0 93 0 - 9.3-15.3 H ASP 24 - HG3 GLU 19 far 0 93 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 4 out of 27 assignments used, quality = 1.00: HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.1-3.8 3.9=100 * HA GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.2-4.2 3.9=100 HA ALA 20 + HG2 GLU 19 OK 30 100 35 86 4.1-6.7 1219/3.0=22, ~29=20...(13) HA ALA 20 + HG3 GLU 19 OK 21 100 25 86 3.2-7.1 1219/3.0=22, ~29=20...(13) HA THR 88 - HG3 GLU 87 poor 14 64 45 50 4.2-6.7 3.0/5921=18, ~5921=13...(8) HA THR 88 - HG2 GLU 87 poor 14 63 45 50 3.7-7.2 3.0/5921=17, ~5921=14...(8) HA ARG 17 - HG3 GLU 19 far 8 81 10 - 4.5-10.1 HA ALA 20 - HG2 GLU 25 far 6 61 10 - 4.4-10.0 HA LYS 85 - HG2 GLU 87 far 5 51 10 - 5.3-10.1 HA THR 15 - HG3 GLU 19 far 5 97 5 - 5.3-15.9 HA ASP 38 - HG2 GLU 19 far 4 78 5 - 4.7-22.1 HA ARG 17 - HG2 GLU 19 far 0 81 0 - 5.4-10.5 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 5.5-22.1 HA LYS 75 - HG2 GLU 25 far 0 54 0 - 5.5-22.7 HA LYS 85 - HG3 GLU 87 far 0 52 0 - 5.9-9.7 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 6.0-12.9 HA LYS 85 - HG2 GLU 25 far 0 32 0 - 6.2-38.3 HA THR 15 - HG2 GLU 19 far 0 97 0 - 6.8-14.7 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 6.9-11.7 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 7.2-16.6 HA LYS 75 - HG2 GLU 19 far 0 95 0 - 7.7-31.9 HA LYS 75 - HG3 GLU 19 far 0 95 0 - 7.9-32.5 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 8.4-25.7 HA LYS 39 - HG3 GLU 50 far 0 71 0 - 8.5-15.0 HA LYS 83 - HG2 GLU 25 far 0 53 0 - 8.7-33.8 HA THR 15 - HG2 GLU 25 far 0 56 0 - 9.3-23.4 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 9.5-25.6 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 21 assignments used, quality = 1.00: * HB2 GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-2.9 3.0=100 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 5.4-13.9 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 6.2-8.1 HB3 PRO 14 - HG3 GLU 19 far 0 76 0 - 6.2-19.9 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 6.7-25.0 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 6.9-11.0 HB3 PRO 14 - HG2 GLU 19 far 0 76 0 - 7.2-18.8 HB VAL 41 - HG3 GLU 19 far 0 83 0 - 7.2-25.2 HB ILE 68 - HG2 GLU 25 far 0 54 0 - 7.4-11.3 HB3 ARG 26 - HG2 GLU 19 far 0 60 0 - 7.5-18.3 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 7.7-18.6 HB VAL 41 - HG2 GLU 25 far 0 45 0 - 7.7-13.8 HG12 ILE 40 - HG2 GLU 25 far 0 61 0 - 7.9-11.9 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 9.0-16.5 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.2-24.4 HG12 ILE 40 - HG2 GLU 19 far 0 100 0 - 9.2-24.3 HB2 MET 31 - HG2 GLU 25 far 0 35 0 - 9.6-13.7 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.9-17.0 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 21 assignments used, quality = 1.00: HB3 GLU 19 + HG2 GLU 19 OK 81 100 100 81 2.3-3.0 3.0=62, 1222/1.8=17...(11) * HB3 GLU 19 + HG3 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 2.2-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 87 + HG2 GLU 87 OK 66 88 100 75 2.5-3.0 3.0=64, 3566/1.8=16...(8) HB2 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.4-3.0 3.0=64, 1.8/2196=19...(6) HB3 GLU 50 + HG3 GLU 50 OK 58 73 100 79 2.4-3.0 3.0=64, 1.8/2196=19...(6) HB2 GLU 25 + HG2 GLU 25 OK 47 52 100 92 2.2-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 + HG2 GLU 25 OK 46 50 100 92 2.2-3.0 3.0=63, 1354/1.8=22...(12) HB3 GLU 25 - HG3 GLU 19 far 5 90 5 - 3.8-17.5 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.1-13.9 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 99 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 99 0 - 6.0-34.7 HB VAL 76 - HG2 GLU 25 far 0 60 0 - 6.8-21.1 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 6.9-8.1 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 8.6-10.4 HD3 ARG 69 - HG3 GLU 50 far 0 70 0 - 9.8-14.3 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 4 assignments used, quality = 1.00: * H ALA 20 + HA ALA 20 OK 100 100 100 100 2.3-2.9 3.0=100 H ILE 68 - HA ALA 77 far 0 40 0 - 8.8-21.1 H ALA 20 - HA ALA 77 far 0 49 0 - 9.1-32.1 H ILE 68 - HA ALA 20 far 0 92 0 - 9.9-20.3 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 15 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 78 - HA ALA 77 poor 13 45 55 53 3.7-5.0 821/3.6=19, ~355=8...(11) QB ALA 16 - HA ALA 20 far 4 87 5 - 3.1-12.3 QB ALA 78 - HA ALA 20 far 0 97 0 - 4.6-26.1 HG2 LYS 75 - HA ALA 20 far 0 96 0 - 4.9-26.7 HG3 LYS 73 - HA ALA 77 far 0 45 0 - 5.4-14.7 HG3 LYS 75 - HA ALA 20 far 0 96 0 - 5.5-26.9 HG3 LYS 75 - HA ALA 77 far 0 43 0 - 5.6-10.0 HG2 LYS 75 - HA ALA 77 far 0 43 0 - 6.2-10.1 HG3 ARG 69 - HA ALA 77 far 0 49 0 - 6.4-18.0 HB3 ARG 69 - HA ALA 77 far 0 38 0 - 7.0-18.4 HG2 LYS 83 - HA ALA 77 far 0 46 0 - 8.0-18.5 QB ALA 77 - HA ALA 20 far 0 100 0 - 8.8-26.1 QB ALA 20 - HA ALA 77 far 0 49 0 - 9.4-26.7 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 8 assignments used, quality = 1.00: * H ALA 20 + QB ALA 20 OK 100 100 100 100 2.0-2.9 2.9=100 H ALA 20 - QB ALA 16 far 5 55 10 - 3.4-11.6 H ALA 20 - QB ALA 78 far 5 96 5 - 3.7-27.8 H ALA 20 - QB ALA 77 far 0 100 0 - 6.9-27.7 H ILE 68 - QB ALA 20 far 0 92 0 - 6.9-17.4 H ILE 68 - QB ALA 77 far 0 91 0 - 7.4-17.5 H ILE 68 - QB ALA 78 far 0 85 0 - 8.2-21.4 H GLU 87 - QB ALA 78 far 0 54 0 - 9.5-21.1 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (4.26, 1.38, 18.75 ppm; 2.60 A): 3 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 GLU 19 + QB ALA 20 OK 22 100 45 50 3.8-5.0 4.5=19, 27/2.9=15, ~29=7...(9) HA LYS 75 - QB ALA 78 poor 16 81 20 - 2.9-10.0 HA ALA 77 - QB ALA 78 poor 12 56 45 47 3.7-5.0 3.6/821=16, 3178=7...(10) HA ARG 17 - QB ALA 16 poor 6 43 50 29 3.8-4.9 5.0=14, ~22=13...(4) HA THR 15 - QB ALA 16 lone 6 45 85 15 3.7-4.6 5.0=14 HA LYS 75 - QB ALA 77 far 4 88 5 - 4.0-7.2 HA ALA 20 - QB ALA 16 far 3 55 5 - 3.1-12.3 HA GLU 19 - QB ALA 16 far 3 54 5 - 3.9-9.7 HA ASP 38 - QB ALA 20 far 0 87 0 - 4.2-13.5 HA LYS 83 - QB ALA 78 far 0 79 0 - 4.2-11.1 HA LYS 75 - QB ALA 20 far 0 89 0 - 4.6-24.6 HA GLU 19 - QB ALA 78 far 0 95 0 - 4.6-29.4 HA ALA 20 - QB ALA 78 far 0 96 0 - 4.6-26.1 HA ASP 38 - QB ALA 16 far 0 42 0 - 4.7-19.3 HA ARG 17 - QB ALA 20 far 0 89 0 - 5.5-10.6 HA LYS 39 - QB ALA 16 far 0 50 0 - 5.6-20.4 HA THR 15 - QB ALA 20 far 0 92 0 - 6.2-16.2 HA ALA 12 - QB ALA 16 far 0 54 0 - 6.4-12.3 HA GLU 19 - QB ALA 77 far 0 100 0 - 7.5-27.5 HA LYS 83 - QB ALA 77 far 0 86 0 - 7.7-14.3 HA ALA 12 - QB ALA 20 far 0 100 0 - 7.8-24.1 HA LYS 39 - QB ALA 20 far 0 97 0 - 7.9-16.7 HA ARG 17 - QB ALA 77 far 0 88 0 - 8.0-28.9 HA ASP 38 - QB ALA 78 far 0 79 0 - 8.1-19.8 HA LYS 39 - QB ALA 78 far 0 90 0 - 8.2-22.3 HA ARG 17 - QB ALA 78 far 0 81 0 - 8.5-29.6 HA ASP 38 - QB ALA 77 far 0 86 0 - 8.6-19.8 HA LEU 64 - QB ALA 20 far 0 100 0 - 8.7-18.4 HA ALA 20 - QB ALA 77 far 0 100 0 - 8.8-26.1 HA ALA 77 - QB ALA 20 far 0 63 0 - 9.4-26.7 HA LEU 64 - QB ALA 78 far 0 96 0 - 9.6-24.5 HA LEU 64 - QB ALA 77 far 0 100 0 - 9.7-20.6 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (1.38, 1.38, 18.75 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QB ALA 20 + QB ALA 20 OK 100 100 - 100 QB ALA 77 + QB ALA 77 OK 100 100 - 100 QB ALA 78 + QB ALA 78 OK 91 91 - 100 QB ALA 16 + QB ALA 16 OK 42 42 - 100 Peak 1242 from cnoeabs.peaks (8.39, 3.95, 45.26 ppm; 3.66 A): 4 out of 12 assignments used, quality = 1.00: * H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.4-3.0 2.9=100 H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 H GLY 18 + HA3 GLY 18 OK 56 56 100 100 2.3-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 54 54 100 100 2.3-3.0 3.0=100 H ARG 17 - HA3 GLY 18 poor 14 63 65 35 4.6-6.1 4.0/5496=14, 4.0/4150=10...(6) H ARG 17 - HA2 GLY 18 far 9 61 15 - 4.6-6.5 H GLY 21 - HA3 GLY 18 far 7 67 10 - 3.9-10.2 H ARG 17 - HA3 GLY 21 far 5 98 5 - 5.0-15.5 H GLY 18 - HA3 GLY 21 far 5 92 5 - 4.8-12.3 H GLY 21 - HA2 GLY 18 far 0 65 0 - 5.2-10.4 H ARG 17 - HA2 GLY 21 far 0 98 0 - 5.4-16.1 H GLY 18 - HA2 GLY 21 far 0 92 0 - 5.8-12.0 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 12 assignments used, quality = 1.00: * H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.3-2.9 2.9=100 H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.4-3.0 2.9=100 H GLY 18 + HA3 GLY 18 OK 58 58 100 100 2.3-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 56 56 100 100 2.3-3.0 3.0=100 H ARG 17 - HA3 GLY 18 poor 15 65 65 35 4.6-6.1 4.0/5496=14, 4.0/4150=10...(6) H ARG 17 - HA2 GLY 18 far 9 63 15 - 4.6-6.5 H GLY 21 - HA3 GLY 18 far 7 70 10 - 3.9-10.2 H ARG 17 - HA3 GLY 21 far 5 98 5 - 5.0-15.5 H GLY 18 - HA3 GLY 21 far 5 92 5 - 4.8-12.3 H GLY 21 - HA2 GLY 18 far 0 67 0 - 5.2-10.4 H ARG 17 - HA2 GLY 21 far 0 98 0 - 5.4-16.1 H GLY 18 - HA2 GLY 21 far 0 92 0 - 5.8-12.0 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 10 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 89 97 100 92 3.1-5.1 5085/3.0=51, 5084/3.0=39...(8) H GLN 79 - HA TYR 81 far 14 94 15 - 4.7-7.3 H ARG 84 - HA TYR 81 far 4 88 5 - 5.7-9.6 H ALA 77 - HA TYR 81 far 4 84 5 - 5.5-12.3 H ARG 84 - HA SER 22 far 0 96 0 - 6.0-37.0 H GLN 79 - HA SER 22 far 0 100 0 - 6.4-28.8 H ALA 28 - HA SER 22 far 0 100 0 - 7.5-10.0 H SER 22 - HA TYR 81 far 0 95 0 - 8.1-31.5 H ALA 77 - HA SER 22 far 0 92 0 - 9.7-25.0 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 4 assignments used, quality = 1.00: * HB2 SER 22 + HA SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 PRO 44 - HA TYR 81 far 0 58 0 - 7.3-26.3 HA ARG 70 - HA TYR 81 far 0 92 0 - 9.0-20.6 HB2 SER 22 - HA TYR 81 far 0 95 0 - 9.5-28.9 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 HB3 SER 22 - HA TYR 81 far 0 95 0 - 8.3-29.1 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 6 assignments used, quality = 1.00: * H SER 22 + HB2 SER 22 OK 100 100 100 100 2.4-3.6 3.9=100 H GLU 25 + HB2 SER 22 OK 95 97 100 98 2.1-5.1 5085=77, 5084/1.8=56...(8) H ARG 84 - HB2 SER 22 far 5 96 5 - 6.1-34.7 H ALA 28 - HB2 SER 22 far 0 100 0 - 6.9-9.8 H GLN 79 - HB2 SER 22 far 0 100 0 - 8.0-26.4 H ALA 77 - HB2 SER 22 far 0 92 0 - 8.8-22.6 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 2 assignments used, quality = 1.00: * HA SER 22 + HB2 SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 HA TYR 81 - HB2 SER 22 far 0 96 0 - 9.5-28.9 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 6 assignments used, quality = 1.00: * H SER 22 + HB3 SER 22 OK 100 100 100 100 2.2-4.0 3.9=100 H GLU 25 + HB3 SER 22 OK 95 97 100 98 3.0-5.5 5085/1.8=70, 5084=53...(8) H ARG 84 - HB3 SER 22 far 0 96 0 - 6.8-34.8 H GLN 79 - HB3 SER 22 far 0 100 0 - 6.9-27.6 H ALA 28 - HB3 SER 22 far 0 100 0 - 7.6-10.2 H ALA 77 - HB3 SER 22 far 0 92 0 - 8.5-22.7 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 2 assignments used, quality = 1.00: * HA SER 22 + HB3 SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 HA TYR 81 - HB3 SER 22 far 0 96 0 - 8.3-29.1 Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (4.01, 3.89, 63.89 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 22 + HB3 SER 22 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (3.89, 3.89, 63.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 22 + HB3 SER 22 OK 100 100 - 100 Peak 1260 from cnoeabs.peaks (8.49, 4.13, 58.01 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 23 - HA ARG 27 far 0 74 0 - 8.0-10.0 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 13 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1285=32...(9) HB3 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1285=32...(9) HB2 ARG 27 + HA ARG 27 OK 71 73 100 98 2.5-3.0 3.0=92, 2.9/1447=16...(32) HB3 ARG 27 + HA ARG 27 OK 71 72 100 98 2.4-3.0 3.0=92, 2.9/1447=16...(31) HB2 ARG 27 - HA ARG 23 far 0 99 0 - 4.5-7.7 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 5.2-8.7 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.1-9.4 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 6.7-9.9 HB2 LYS 75 - HA ARG 23 far 0 100 0 - 6.9-24.2 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 7.6-14.5 HB3 ARG 71 - HA ARG 27 far 0 72 0 - 8.9-13.8 HB2 ARG 71 - HA ARG 23 far 0 99 0 - 9.0-14.0 HB2 ARG 71 - HA ARG 27 far 0 73 0 - 9.2-13.1 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 13 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1285=32...(9) HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1285=32...(9) HB2 ARG 27 + HA ARG 27 OK 72 73 100 98 2.5-3.0 3.0=92, 2.9/1447=16...(32) HB3 ARG 27 + HA ARG 27 OK 71 73 100 98 2.4-3.0 3.0=92, 2.9/1447=16...(31) HB2 ARG 27 - HA ARG 23 far 0 100 0 - 4.5-7.7 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 5.2-8.7 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.1-9.4 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 6.7-9.9 HB2 LYS 75 - HA ARG 23 far 0 100 0 - 6.9-24.2 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 7.6-14.5 HB3 ARG 71 - HA ARG 27 far 0 73 0 - 8.9-13.8 HB2 ARG 71 - HA ARG 23 far 0 100 0 - 9.0-14.0 HB2 ARG 71 - HA ARG 27 far 0 73 0 - 9.2-13.1 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 14 assignments used, quality = 0.98: * HG2 ARG 23 + HA ARG 23 OK 98 100 100 98 2.3-3.7 1285=90, 1286/3.0=36...(25) HG LEU 29 - HA ARG 27 poor 13 74 60 30 4.5-6.1 83/552=14, ~5521=11...(4) HG2 ARG 23 - HA ARG 27 far 7 74 10 - 4.1-10.5 HB3 LEU 64 - HA ARG 27 far 2 41 5 - 4.7-7.3 HD3 LYS 75 - HA ARG 23 far 0 99 0 - 6.7-26.4 HG LEU 29 - HA ARG 23 far 0 100 0 - 6.7-8.8 HD3 LYS 13 - HA ARG 27 far 0 73 0 - 7.0-28.9 HD2 LYS 75 - HA ARG 23 far 0 99 0 - 7.1-26.3 HB3 LYS 13 - HA ARG 27 far 0 68 0 - 7.9-28.6 HD2 LYS 13 - HA ARG 27 far 0 73 0 - 8.0-28.1 HB2 ARG 82 - HA ARG 23 far 0 73 0 - 9.1-38.0 HB3 LEU 64 - HA ARG 23 far 0 65 0 - 9.1-13.6 HD3 LYS 75 - HA ARG 27 far 0 73 0 - 9.6-26.4 HB3 GLN 61 - HA ARG 27 far 0 68 0 - 9.6-10.8 Violated in 1 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (1.54, 4.13, 58.01 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HG3 ARG 23 - HA ARG 27 far 7 74 10 - 4.5-10.9 HG LEU 64 - HA ARG 27 far 0 74 0 - 5.9-8.4 HB3 LEU 86 - HA ARG 27 far 0 51 0 - 9.3-48.5 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 16 assignments used, quality = 1.00: HD3 ARG 23 + HA ARG 23 OK 98 100 100 98 2.4-4.7 2.9/1285=63, 5.2=45...(34) * HD2 ARG 23 + HA ARG 23 OK 98 100 100 98 2.6-5.4 2.9/1285=63, 5.2=45...(34) HD3 ARG 27 + HA ARG 27 OK 72 74 100 98 2.0-4.8 5.4=41, 3.0/1447=30...(57) HD2 ARG 27 + HA ARG 27 OK 69 74 95 98 2.3-5.5 5.4=41, 3.0/1447=30...(57) HD2 ARG 26 + HA ARG 23 OK 22 98 70 31 2.7-6.4 6.1/5341=11, 3.0/1439=6...(7) HD3 ARG 26 - HA ARG 23 poor 15 97 50 30 2.0-6.8 6.1/5341=11, 3.0/1439=6...(6) HD2 ARG 26 - HA ARG 27 far 7 70 10 - 3.5-7.9 HD3 ARG 26 - HA ARG 27 far 7 69 10 - 2.8-7.9 HD3 ARG 27 - HA ARG 23 far 5 100 5 - 5.5-9.0 HD2 ARG 23 - HA ARG 27 far 4 74 5 - 5.2-11.8 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 5.7-17.9 HD2 ARG 27 - HA ARG 23 far 0 100 0 - 6.4-10.4 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 6.5-11.5 HD3 ARG 84 - HA ARG 23 far 0 90 0 - 7.0-41.7 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 7.5-16.2 HD2 ARG 84 - HA ARG 23 far 0 87 0 - 8.0-42.3 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 16 assignments used, quality = 1.00: * HD3 ARG 23 + HA ARG 23 OK 98 100 100 98 2.4-4.7 2.9/1285=63, 5.2=45...(34) HD2 ARG 23 + HA ARG 23 OK 98 100 100 98 2.6-5.4 2.9/1285=63, 5.2=45...(34) HD3 ARG 27 + HA ARG 27 OK 72 74 100 98 2.0-4.8 5.4=41, 3.0/1447=30...(57) HD2 ARG 27 + HA ARG 27 OK 69 74 95 98 2.3-5.5 5.4=41, 3.0/1447=30...(57) HD2 ARG 26 + HA ARG 23 OK 22 98 70 31 2.7-6.4 6.1/5341=11, 3.0/1439=6...(7) HD3 ARG 26 - HA ARG 23 poor 15 97 50 30 2.0-6.8 6.1/5341=11, 3.0/1439=6...(6) HD2 ARG 26 - HA ARG 27 far 7 70 10 - 3.5-7.9 HD3 ARG 26 - HA ARG 27 far 7 69 10 - 2.8-7.9 HD3 ARG 27 - HA ARG 23 far 5 100 5 - 5.5-9.0 HD2 ARG 23 - HA ARG 27 far 4 74 5 - 5.2-11.8 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 5.7-17.9 HD2 ARG 27 - HA ARG 23 far 0 100 0 - 6.4-10.4 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 6.5-11.5 HD3 ARG 84 - HA ARG 23 far 0 90 0 - 7.0-41.7 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 7.5-16.2 HD2 ARG 84 - HA ARG 23 far 0 87 0 - 8.0-42.3 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 2.3-3.6 4.0=100 H ARG 23 - HB2 ARG 27 far 4 83 5 - 6.2-9.5 H ARG 23 - HB3 ARG 71 far 4 78 5 - 5.9-14.8 H ARG 23 - HB2 ARG 71 far 0 79 0 - 7.2-13.8 H ARG 23 - HB3 ARG 27 far 0 82 0 - 7.3-10.3 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 16 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 2.5-3.0 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 4 83 5 - 4.5-7.7 HA ARG 23 - HB3 ARG 27 far 0 82 0 - 5.2-8.7 HA ASN 49 - HB2 ARG 66 far 0 53 0 - 5.9-10.0 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.1-9.4 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 6.7-9.9 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.4-8.5 HA ARG 23 - HB3 ARG 71 far 0 78 0 - 7.6-14.5 HA ALA 30 - HB2 ARG 27 far 0 78 0 - 7.9-8.7 HA ARG 27 - HB3 ARG 71 far 0 71 0 - 8.9-13.8 HA ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.0 HA ARG 27 - HB2 ARG 71 far 0 72 0 - 9.2-13.1 HA GLN 91 - HB3 ARG 71 far 0 75 0 - 9.5-51.5 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 44 assignments used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 98 100 100 98 2.3-3.0 3.0=88, 1287/1.8=33...(42) HG2 ARG 23 + HB3 ARG 23 OK 98 100 100 98 2.3-3.0 3.0=88, 1286/1.8=33...(42) HG3 ARG 66 + HB2 ARG 66 OK 35 35 100 100 2.2-3.0 2.8=100 HB3 LEU 64 - HB3 ARG 27 poor 14 47 30 - 2.3-6.6 HG2 ARG 23 - HB2 ARG 27 far 8 83 10 - 3.2-9.5 HD2 LYS 75 - HB3 ARG 71 far 4 76 5 - 2.9-15.0 HD3 LYS 75 - HB3 ARG 71 far 4 76 5 - 3.4-15.3 HB3 LEU 64 - HB2 ARG 27 far 2 47 5 - 3.9-7.1 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 4.5-25.9 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 4.5-15.3 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 4.7-15.4 HG2 ARG 23 - HB3 ARG 27 far 0 82 0 - 4.8-11.0 HD2 LYS 75 - HB2 ARG 23 far 0 99 0 - 5.1-25.7 HD3 LYS 75 - HB3 ARG 23 far 0 99 0 - 5.2-24.3 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 5.6-7.4 HG LEU 29 - HB3 ARG 27 far 0 81 0 - 5.7-7.3 HB2 ARG 82 - HB2 ARG 66 far 0 37 0 - 6.7-32.0 HG2 ARG 23 - HB3 ARG 71 far 0 78 0 - 6.7-14.8 HD2 LYS 75 - HB3 ARG 23 far 0 99 0 - 6.8-24.2 HD3 LYS 75 - HB2 ARG 27 far 0 81 0 - 6.8-24.1 HG3 ARG 66 - HB2 ARG 71 far 0 48 0 - 7.0-12.2 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.6-14.6 HD2 LYS 75 - HB2 ARG 27 far 0 81 0 - 7.8-24.4 HD3 LYS 75 - HB3 ARG 27 far 0 80 0 - 7.8-24.0 HB3 LEU 64 - HB2 ARG 71 far 0 44 0 - 7.8-10.5 HG3 ARG 66 - HB3 ARG 71 far 0 48 0 - 8.2-12.7 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 8.4-11.2 HB3 LEU 64 - HB2 ARG 66 far 0 32 0 - 8.4-9.3 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 8.4-11.6 HD2 LYS 75 - HB2 ARG 66 far 0 58 0 - 8.5-19.0 HB3 LEU 64 - HB3 ARG 23 far 0 65 0 - 8.6-14.8 HB3 GLN 61 - HB2 ARG 27 far 0 76 0 - 8.8-11.6 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 8.9-11.2 HG3 ARG 66 - HB3 ARG 27 far 0 51 0 - 8.9-14.0 HD2 LYS 75 - HB3 ARG 27 far 0 80 0 - 9.1-23.9 HB3 LEU 64 - HB3 ARG 71 far 0 44 0 - 9.2-11.3 HB3 LEU 64 - HB2 ARG 23 far 0 65 0 - 9.3-14.6 HB3 GLN 61 - HB2 ARG 66 far 0 54 0 - 9.5-11.7 HD3 LYS 13 - HB2 ARG 27 far 0 81 0 - 9.5-30.8 HB2 ARG 82 - HB2 ARG 23 far 0 73 0 - 9.5-35.9 HD3 LYS 13 - HB3 ARG 27 far 0 81 0 - 9.6-30.4 HD2 LYS 13 - HB3 ARG 27 far 0 81 0 - 9.7-29.4 HB3 LYS 13 - HB3 ARG 27 far 0 76 0 - 9.8-30.0 HG3 ARG 66 - HB2 ARG 27 far 0 52 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.40 A): 3 out of 17 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 64 + HB3 ARG 27 OK 39 82 55 88 3.5-7.7 2.1/5022=31, 2.1/5028=29...(12) HG LEU 64 - HB2 ARG 27 far 12 83 15 - 4.3-7.4 HG3 ARG 23 - HB2 ARG 27 far 8 83 10 - 2.8-9.8 HG3 ARG 23 - HB3 ARG 27 far 8 82 10 - 4.5-11.5 HG2 ARG 82 - HB2 ARG 66 far 0 52 0 - 5.1-30.1 HG LEU 62 - HB2 ARG 66 far 0 35 0 - 5.8-9.0 HG LEU 64 - HB2 ARG 71 far 0 78 0 - 6.4-11.6 HG3 ARG 23 - HB3 ARG 71 far 0 78 0 - 6.7-15.2 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 7.2-12.0 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.4-14.8 HG LEU 64 - HB2 ARG 66 far 0 60 0 - 7.5-8.6 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.5-14.1 HB3 LEU 86 - HB2 ARG 27 far 0 58 0 - 9.6-46.9 HB3 LEU 86 - HB3 ARG 27 far 0 57 0 - 9.9-47.2 HG LEU 64 - HB2 ARG 23 far 0 100 0 - 9.9-14.5 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 53 assignments used, quality = 1.00: HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.0-3.9 3.5=76, 2.9/1286=29...(36) * HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.3-3.7 3.5=76, 2.9/1286=29...(36) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.2-3.6 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.3-4.0 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.2 3.5=76, 1420/3.0=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 80 81 100 99 2.1-4.2 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB3 ARG 27 OK 80 81 100 99 2.0-3.8 3.5=76, 1420/3.0=11...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 48 100 97 2.0-4.2 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 46 48 100 97 2.1-4.2 3.5=76, 2937/3.0=26...(32) HD3 ARG 66 + HB2 ARG 66 OK 39 40 100 97 2.1-3.8 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 36 37 100 97 2.0-4.0 3.4=82, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 10 97 10 - 3.9-8.8 HD2 ARG 71 - HB2 ARG 23 far 7 71 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 5 98 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 5 97 5 - 4.7-9.6 HD2 ARG 26 - HB2 ARG 27 far 4 78 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 4 78 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 4 77 5 - 4.1-8.9 HD2 ARG 71 - HB3 ARG 23 far 4 71 5 - 4.1-16.0 HD2 ARG 71 - HB2 ARG 27 far 3 52 5 - 4.7-14.3 HD2 ARG 82 - HB2 ARG 66 far 2 47 5 - 3.3-31.8 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.7-11.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 5.7-13.8 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 7.2-12.9 HD3 ARG 84 - HB2 ARG 66 far 0 49 0 - 7.4-37.1 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 8.0-12.5 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 54 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 90 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 46 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 87 0 - 9.4-41.7 HD2 ARG 82 - HB2 ARG 71 far 0 63 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 90 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 54 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 76 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 65 0 - 9.9-34.6 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 53 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.0-3.9 3.5=76, 2.9/1286=29...(36) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.3-3.7 3.5=76, 2.9/1286=29...(36) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.2-3.6 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.3-4.0 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.2 3.5=76, 1420/3.0=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 80 81 100 99 2.1-4.2 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB3 ARG 27 OK 80 81 100 99 2.0-3.8 3.5=76, 1420/3.0=11...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 48 100 97 2.0-4.2 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 46 48 100 97 2.1-4.2 3.5=76, 2937/3.0=26...(32) HD3 ARG 66 + HB2 ARG 66 OK 39 40 100 97 2.1-3.8 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 36 37 100 97 2.0-4.0 3.4=82, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 10 97 10 - 3.9-8.8 HD2 ARG 71 - HB2 ARG 23 far 7 71 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 5 98 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 5 97 5 - 4.7-9.6 HD2 ARG 26 - HB2 ARG 27 far 4 78 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 4 78 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 4 77 5 - 4.1-8.9 HD2 ARG 71 - HB3 ARG 23 far 4 71 5 - 4.1-16.0 HD2 ARG 71 - HB2 ARG 27 far 3 52 5 - 4.7-14.3 HD2 ARG 82 - HB2 ARG 66 far 2 47 5 - 3.3-31.8 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.7-11.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 5.7-13.8 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 7.2-12.9 HD3 ARG 84 - HB2 ARG 66 far 0 49 0 - 7.4-37.1 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 8.0-12.5 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 54 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 90 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 46 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 87 0 - 9.4-41.7 HD2 ARG 82 - HB2 ARG 71 far 0 63 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 90 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 54 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 76 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 65 0 - 9.9-34.6 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 + HB3 ARG 23 OK 100 100 100 100 2.3-3.6 4.0=100 H ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-3.6 4.0=100 H ARG 23 - HB2 ARG 27 far 4 83 5 - 6.2-9.5 H ARG 23 - HB3 ARG 71 far 4 79 5 - 5.9-14.8 H ARG 23 - HB2 ARG 71 far 0 79 0 - 7.2-13.8 H ARG 23 - HB3 ARG 27 far 0 83 0 - 7.3-10.3 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 16 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 2.5-3.0 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 4 83 5 - 4.5-7.7 HA ARG 23 - HB3 ARG 27 far 0 83 0 - 5.2-8.7 HA ASN 49 - HB2 ARG 66 far 0 56 0 - 5.9-10.0 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.1-9.4 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 6.7-9.9 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.4-8.5 HA ARG 23 - HB3 ARG 71 far 0 79 0 - 7.6-14.5 HA ALA 30 - HB2 ARG 27 far 0 79 0 - 7.9-8.7 HA ARG 27 - HB3 ARG 71 far 0 72 0 - 8.9-13.8 HA ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.0 HA ARG 27 - HB2 ARG 71 far 0 73 0 - 9.2-13.1 HA GLN 91 - HB3 ARG 71 far 0 76 0 - 9.5-51.5 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 44 assignments used, quality = 1.00: HG2 ARG 23 + HB2 ARG 23 OK 98 100 100 98 2.3-3.0 3.0=88, 1287/1.8=33...(42) * HG2 ARG 23 + HB3 ARG 23 OK 98 100 100 98 2.3-3.0 3.0=88, 1286/1.8=33...(42) HG3 ARG 66 + HB2 ARG 66 OK 37 37 100 100 2.2-3.0 2.8=100 HB3 LEU 64 - HB3 ARG 27 poor 14 47 30 - 2.3-6.6 HG2 ARG 23 - HB2 ARG 27 far 8 83 10 - 3.2-9.5 HD2 LYS 75 - HB3 ARG 71 far 4 77 5 - 2.9-15.0 HD3 LYS 75 - HB3 ARG 71 far 4 77 5 - 3.4-15.3 HB3 LEU 64 - HB2 ARG 27 far 2 48 5 - 3.9-7.1 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 4.5-25.9 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 4.5-15.3 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 4.7-15.4 HG2 ARG 23 - HB3 ARG 27 far 0 83 0 - 4.8-11.0 HD2 LYS 75 - HB2 ARG 23 far 0 99 0 - 5.1-25.7 HD3 LYS 75 - HB3 ARG 23 far 0 99 0 - 5.2-24.3 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 5.6-7.4 HG LEU 29 - HB3 ARG 27 far 0 82 0 - 5.7-7.3 HB2 ARG 82 - HB2 ARG 66 far 0 39 0 - 6.7-32.0 HG2 ARG 23 - HB3 ARG 71 far 0 79 0 - 6.7-14.8 HD2 LYS 75 - HB3 ARG 23 far 0 99 0 - 6.8-24.2 HD3 LYS 75 - HB2 ARG 27 far 0 81 0 - 6.8-24.1 HG3 ARG 66 - HB2 ARG 71 far 0 49 0 - 7.0-12.2 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.6-14.6 HD2 LYS 75 - HB2 ARG 27 far 0 81 0 - 7.8-24.4 HD3 LYS 75 - HB3 ARG 27 far 0 81 0 - 7.8-24.0 HB3 LEU 64 - HB2 ARG 71 far 0 45 0 - 7.8-10.5 HG3 ARG 66 - HB3 ARG 71 far 0 48 0 - 8.2-12.7 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 8.4-11.2 HB3 LEU 64 - HB2 ARG 66 far 0 34 0 - 8.4-9.3 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 8.4-11.6 HD2 LYS 75 - HB2 ARG 66 far 0 61 0 - 8.5-19.0 HB3 LEU 64 - HB3 ARG 23 far 0 65 0 - 8.6-14.8 HB3 GLN 61 - HB2 ARG 27 far 0 77 0 - 8.8-11.6 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 8.9-11.2 HG3 ARG 66 - HB3 ARG 27 far 0 52 0 - 8.9-14.0 HD2 LYS 75 - HB3 ARG 27 far 0 81 0 - 9.1-23.9 HB3 LEU 64 - HB3 ARG 71 far 0 44 0 - 9.2-11.3 HB3 LEU 64 - HB2 ARG 23 far 0 65 0 - 9.3-14.6 HB3 GLN 61 - HB2 ARG 66 far 0 57 0 - 9.5-11.7 HD3 LYS 13 - HB2 ARG 27 far 0 82 0 - 9.5-30.8 HB2 ARG 82 - HB2 ARG 23 far 0 73 0 - 9.5-35.9 HD3 LYS 13 - HB3 ARG 27 far 0 81 0 - 9.6-30.4 HD2 LYS 13 - HB3 ARG 27 far 0 81 0 - 9.7-29.4 HB3 LYS 13 - HB3 ARG 27 far 0 76 0 - 9.8-30.0 HG3 ARG 66 - HB2 ARG 27 far 0 52 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.40 A): 3 out of 17 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 64 + HB3 ARG 27 OK 40 83 55 88 3.5-7.7 2.1/5022=31, 2.1/5028=30...(12) HG LEU 64 - HB2 ARG 27 far 12 83 15 - 4.3-7.4 HG3 ARG 23 - HB2 ARG 27 far 8 83 10 - 2.8-9.8 HG3 ARG 23 - HB3 ARG 27 far 8 83 10 - 4.5-11.5 HG2 ARG 82 - HB2 ARG 66 far 0 55 0 - 5.1-30.1 HG LEU 62 - HB2 ARG 66 far 0 37 0 - 5.8-9.0 HG LEU 64 - HB2 ARG 71 far 0 79 0 - 6.4-11.6 HG3 ARG 23 - HB3 ARG 71 far 0 79 0 - 6.7-15.2 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 7.2-12.0 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.4-14.8 HG LEU 64 - HB2 ARG 66 far 0 63 0 - 7.5-8.6 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.5-14.1 HB3 LEU 86 - HB2 ARG 27 far 0 58 0 - 9.6-46.9 HB3 LEU 86 - HB3 ARG 27 far 0 58 0 - 9.9-47.2 HG LEU 64 - HB2 ARG 23 far 0 100 0 - 9.9-14.5 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 53 assignments used, quality = 1.00: HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.0-3.9 3.5=76, 2.9/1287=29...(36) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.3-3.7 3.5=76, 2.9/1287=29...(36) * HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.2-3.6 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.3-4.0 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.2 3.5=76, 1420/3.0=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 81 82 100 99 2.1-4.2 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB3 ARG 27 OK 81 82 100 99 2.0-3.8 3.5=76, 1420/3.0=11...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 49 100 97 2.0-4.2 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 47 48 100 97 2.1-4.2 3.5=76, 2937/3.0=26...(32) HD3 ARG 66 + HB2 ARG 66 OK 41 42 100 97 2.1-3.8 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 38 39 100 97 2.0-4.0 3.4=82, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 10 97 10 - 3.9-8.8 HD2 ARG 71 - HB2 ARG 23 far 7 71 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 5 98 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 5 97 5 - 4.7-9.6 HD2 ARG 26 - HB2 ARG 27 far 4 79 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 4 78 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 4 78 5 - 4.1-8.9 HD2 ARG 71 - HB3 ARG 23 far 4 71 5 - 4.1-16.0 HD2 ARG 71 - HB2 ARG 27 far 3 52 5 - 4.7-14.3 HD2 ARG 82 - HB2 ARG 66 far 2 50 5 - 3.3-31.8 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.7-11.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 5.7-13.8 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 7.2-12.9 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 7.4-37.1 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 8.0-12.5 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 90 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 48 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 87 0 - 9.4-41.7 HD2 ARG 82 - HB2 ARG 71 far 0 64 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 90 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 54 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 77 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 66 0 - 9.9-34.6 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 53 assignments used, quality = 1.00: HD3 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.0-3.9 3.5=76, 2.9/1287=29...(36) HD2 ARG 23 + HB2 ARG 23 OK 99 100 100 99 2.3-3.7 3.5=76, 2.9/1287=29...(36) HD2 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.1-3.9 3.5=76, 2.9/1287=29...(35) * HD3 ARG 23 + HB3 ARG 23 OK 99 100 100 99 2.2-3.6 3.5=76, 2.9/1287=29...(35) HD2 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.3-4.0 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 81 82 100 99 2.2-4.2 3.5=76, 1420/3.0=11...(62) HD2 ARG 27 + HB3 ARG 27 OK 81 82 100 99 2.1-4.2 3.5=76, 1421/3.0=10...(62) HD3 ARG 27 + HB3 ARG 27 OK 81 82 100 99 2.0-3.8 3.5=76, 1420/3.0=11...(62) HD2 ARG 71 + HB2 ARG 71 OK 47 49 100 97 2.0-4.2 3.5=76, 2937/3.0=26...(32) HD2 ARG 71 + HB3 ARG 71 OK 47 48 100 97 2.1-4.2 3.5=76, 2937/3.0=26...(32) HD3 ARG 66 + HB2 ARG 66 OK 41 42 100 97 2.1-3.8 3.4=82, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 38 39 100 97 2.0-4.0 3.4=82, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 10 97 10 - 3.9-8.8 HD2 ARG 71 - HB2 ARG 23 far 7 71 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 5 98 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 5 97 5 - 4.7-9.6 HD2 ARG 26 - HB2 ARG 27 far 4 79 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 4 78 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 4 78 5 - 4.1-8.9 HD2 ARG 71 - HB3 ARG 23 far 4 71 5 - 4.1-16.0 HD2 ARG 71 - HB2 ARG 27 far 3 52 5 - 4.7-14.3 HD2 ARG 82 - HB2 ARG 66 far 2 50 5 - 3.3-31.8 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.9-10.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 100 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.7-11.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 5.7-13.8 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 7.2-12.9 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 7.4-37.1 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 8.0-12.5 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 90 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 48 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 9.0-14.2 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 87 0 - 9.4-41.7 HD2 ARG 82 - HB2 ARG 71 far 0 64 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 90 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 54 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 77 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 66 0 - 9.9-34.6 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 3 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.7 3.8=99, 3.0/1286=38...(27) HA ARG 27 - HG2 ARG 23 far 14 97 15 - 4.1-10.5 HA ALA 30 - HG2 ARG 23 far 0 98 0 - 8.4-14.8 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 7 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.3-3.0 3.0=86, 3.0/1285=30...(42) HB3 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.3-3.0 3.0=86, 3.0/1285=30...(42) HB2 ARG 27 - HG2 ARG 23 far 10 99 10 - 3.2-9.5 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 4.8-11.0 HB2 LYS 75 - HG2 ARG 23 far 0 100 0 - 6.2-24.3 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 6.7-14.8 HB2 ARG 71 - HG2 ARG 23 far 0 99 0 - 7.6-14.6 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 7 assignments used, quality = 1.00: HB2 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.3-3.0 3.0=86, 3.0/1285=30...(42) * HB3 ARG 23 + HG2 ARG 23 OK 97 100 100 97 2.3-3.0 3.0=86, 3.0/1285=30...(42) HB2 ARG 27 - HG2 ARG 23 far 10 100 10 - 3.2-9.5 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 4.8-11.0 HB2 LYS 75 - HG2 ARG 23 far 0 100 0 - 6.2-24.3 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 6.7-14.8 HB2 ARG 71 - HG2 ARG 23 far 0 100 0 - 7.6-14.6 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 - 9.5-16.0 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 8 assignments used, quality = 1.00: * HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 26 - HG2 ARG 23 poor 19 97 20 - 4.0-9.1 HD3 ARG 27 - HG2 ARG 23 far 10 100 10 - 3.3-10.7 HD2 ARG 26 - HG2 ARG 23 far 10 98 10 - 4.5-9.7 HD2 ARG 27 - HG2 ARG 23 far 5 100 5 - 4.8-11.7 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 5.8-18.4 HD3 ARG 84 - HG2 ARG 23 far 0 90 0 - 9.7-41.4 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 8 assignments used, quality = 1.00: HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 26 - HG2 ARG 23 poor 19 97 20 - 4.0-9.1 HD3 ARG 27 - HG2 ARG 23 far 10 100 10 - 3.3-10.7 HD2 ARG 26 - HG2 ARG 23 far 10 98 10 - 4.5-9.7 HD2 ARG 27 - HG2 ARG 23 far 5 100 5 - 4.8-11.7 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 5.8-18.4 HD3 ARG 84 - HG2 ARG 23 far 0 90 0 - 9.7-41.4 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 7 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HA ARG 27 - HG3 ARG 23 far 10 97 10 - 4.5-10.9 HA ARG 27 - HG LEU 64 far 0 81 0 - 5.9-8.4 HA ASN 49 - HG LEU 62 far 0 38 0 - 6.6-9.4 HA ASN 49 - HG2 ARG 82 far 0 77 0 - 9.4-34.5 HA ALA 30 - HG3 ARG 23 far 0 98 0 - 9.4-14.6 HA ALA 30 - HG LEU 64 far 0 84 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1294 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 3 out of 19 assignments used, quality = 1.00: * HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 + HG LEU 64 OK 32 85 45 82 3.5-7.7 5022/2.1=26, 5028/2.1=23...(13) HB2 ARG 27 - HG3 ARG 23 far 10 99 10 - 2.8-9.8 HB3 ARG 27 - HG3 ARG 23 far 5 99 5 - 4.5-11.5 HB2 ARG 27 - HG LEU 64 far 4 86 5 - 4.3-7.4 HB2 ARG 66 - HG2 ARG 82 far 0 44 0 - 5.1-30.1 HB2 LYS 73 - HG2 ARG 82 far 0 56 0 - 5.1-20.8 HB2 ARG 66 - HG LEU 62 far 0 20 0 - 5.8-9.0 HB2 ARG 71 - HG LEU 64 far 0 86 0 - 6.4-11.6 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 6.7-15.2 HB2 LYS 75 - HG3 ARG 23 far 0 100 0 - 6.9-24.9 HB3 ARG 71 - HG LEU 64 far 0 85 0 - 7.2-12.0 HB2 ARG 71 - HG3 ARG 23 far 0 99 0 - 7.4-14.8 HB2 ARG 66 - HG LEU 64 far 0 47 0 - 7.5-8.6 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.5-14.1 HB3 PRO 34 - HG LEU 62 far 0 23 0 - 9.5-11.8 HB2 LYS 75 - HG LEU 64 far 0 87 0 - 9.8-19.7 HB2 ARG 23 - HG LEU 64 far 0 88 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 3 out of 19 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 + HG LEU 64 OK 32 86 45 82 3.5-7.7 5022/2.1=26, 5028/2.1=24...(13) HB2 ARG 27 - HG3 ARG 23 far 10 100 10 - 2.8-9.8 HB3 ARG 27 - HG3 ARG 23 far 5 99 5 - 4.5-11.5 HB2 ARG 27 - HG LEU 64 far 4 87 5 - 4.3-7.4 HB2 ARG 66 - HG2 ARG 82 far 0 47 0 - 5.1-30.1 HB2 LYS 73 - HG2 ARG 82 far 0 53 0 - 5.1-20.8 HB2 ARG 66 - HG LEU 62 far 0 22 0 - 5.8-9.0 HB2 ARG 71 - HG LEU 64 far 0 87 0 - 6.4-11.6 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 6.7-15.2 HB2 LYS 75 - HG3 ARG 23 far 0 100 0 - 6.9-24.9 HB3 ARG 71 - HG LEU 64 far 0 86 0 - 7.2-12.0 HB2 ARG 71 - HG3 ARG 23 far 0 100 0 - 7.4-14.8 HB2 ARG 66 - HG LEU 64 far 0 49 0 - 7.5-8.6 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.5-14.1 HB3 PRO 34 - HG LEU 62 far 0 24 0 - 9.5-11.8 HB2 LYS 75 - HG LEU 64 far 0 87 0 - 9.8-19.7 HB2 ARG 23 - HG LEU 64 far 0 88 0 - 9.9-14.5 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 16 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 2.8-3.0 2.9=56, 1.8/5479=46...(13) HB3 LEU 64 + HG LEU 64 OK 41 51 100 79 2.8-3.0 3.0=52, 3.0/2616=21...(8) HG3 ARG 66 - HG LEU 62 far 1 25 5 - 3.9-7.3 HB3 GLN 61 - HG LEU 64 far 0 81 0 - 4.1-7.1 HB3 GLN 61 - HG LEU 62 far 0 39 0 - 4.8-6.2 HD3 LYS 75 - HG3 ARG 23 far 0 99 0 - 5.3-27.0 HG3 ARG 66 - HG2 ARG 82 far 0 53 0 - 6.0-32.6 HG3 ARG 66 - HG LEU 64 far 0 56 0 - 6.0-8.4 HD2 LYS 75 - HG3 ARG 23 far 0 99 0 - 6.2-26.9 HB3 LEU 64 - HG3 ARG 23 far 0 65 0 - 6.6-15.7 HG LEU 29 - HG3 ARG 23 far 0 100 0 - 7.9-10.9 HB3 LEU 64 - HG LEU 62 far 0 23 0 - 8.8-10.1 HG LEU 29 - HG LEU 64 far 0 87 0 - 8.9-11.0 HG2 ARG 23 - HG LEU 64 far 0 88 0 - 9.5-16.0 HD3 LYS 75 - HG LEU 64 far 0 86 0 - 9.7-22.0 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 26 assignments used, quality = 1.00: * HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 ARG 27 - HG3 ARG 23 far 10 100 10 - 4.3-12.7 HD2 ARG 26 - HG3 ARG 23 far 10 98 10 - 3.5-8.5 HD3 ARG 26 - HG3 ARG 23 far 10 97 10 - 2.5-9.5 HD3 ARG 27 - HG3 ARG 23 far 5 100 5 - 2.7-11.6 HD3 ARG 27 - HG LEU 64 far 4 87 5 - 3.4-7.8 HD2 ARG 27 - HG LEU 64 far 4 87 5 - 4.6-7.0 HD3 ARG 66 - HG2 ARG 82 far 3 60 5 - 3.8-31.6 HD3 ARG 66 - HG LEU 62 far 1 28 5 - 4.4-8.5 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 4.9-8.7 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 4.9-12.2 HD2 ARG 66 - HG2 ARG 82 far 0 56 0 - 5.2-32.3 HD3 ARG 84 - HG2 ARG 82 far 0 71 0 - 5.4-13.1 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 6.3-18.6 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.2-13.2 HD2 ARG 82 - HG LEU 62 far 0 34 0 - 7.6-38.1 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 7.8-10.6 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.0-10.3 HD2 ARG 71 - HG2 ARG 82 far 0 53 0 - 8.2-29.7 HD3 ARG 23 - HG LEU 64 far 0 88 0 - 9.5-16.2 HD3 ARG 84 - HG3 ARG 23 far 0 90 0 - 9.6-42.6 HD2 ARG 26 - HG2 ARG 82 far 0 81 0 - 9.6-37.8 HD2 ARG 26 - HG LEU 64 far 0 84 0 - 9.7-14.9 HD3 ARG 26 - HG LEU 64 far 0 83 0 - 9.7-15.1 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 26 assignments used, quality = 1.00: HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 ARG 27 - HG3 ARG 23 far 10 100 10 - 4.3-12.7 HD2 ARG 26 - HG3 ARG 23 far 10 98 10 - 3.5-8.5 HD3 ARG 26 - HG3 ARG 23 far 10 97 10 - 2.5-9.5 HD3 ARG 27 - HG3 ARG 23 far 5 100 5 - 2.7-11.6 HD3 ARG 27 - HG LEU 64 far 4 87 5 - 3.4-7.8 HD2 ARG 27 - HG LEU 64 far 4 87 5 - 4.6-7.0 HD3 ARG 66 - HG2 ARG 82 far 3 60 5 - 3.8-31.6 HD3 ARG 66 - HG LEU 62 far 1 28 5 - 4.4-8.5 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 4.9-8.7 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 4.9-12.2 HD2 ARG 66 - HG2 ARG 82 far 0 56 0 - 5.2-32.3 HD3 ARG 84 - HG2 ARG 82 far 0 71 0 - 5.4-13.1 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 6.3-18.6 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.2-13.2 HD2 ARG 82 - HG LEU 62 far 0 34 0 - 7.6-38.1 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 7.8-10.6 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.0-10.3 HD2 ARG 71 - HG2 ARG 82 far 0 53 0 - 8.2-29.7 HD3 ARG 23 - HG LEU 64 far 0 88 0 - 9.5-16.2 HD3 ARG 84 - HG3 ARG 23 far 0 90 0 - 9.6-42.6 HD2 ARG 26 - HG2 ARG 82 far 0 81 0 - 9.6-37.8 HD2 ARG 26 - HG LEU 64 far 0 84 0 - 9.7-14.9 HD3 ARG 26 - HG LEU 64 far 0 83 0 - 9.7-15.1 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 29 assignments used, quality = 1.00: HA ARG 23 + HD3 ARG 23 OK 99 100 100 99 2.4-4.7 1285/2.9=71, 5.2=56...(34) * HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 2.6-5.4 1285/2.9=71, 5.2=56...(34) HA ARG 27 + HD2 ARG 27 OK 95 96 100 99 2.3-5.5 5.4=51, 1419/3.0=35...(58) HA ARG 27 + HD3 ARG 27 OK 95 96 100 99 2.0-4.8 5.4=51, 1419/3.0=35...(58) HA ARG 23 + HD2 ARG 26 OK 28 98 80 35 2.7-6.4 5341/6.1=13, 5344/3.5=6...(7) HA ARG 27 + HD3 ARG 26 OK 20 92 25 87 2.8-7.9 ~65=29, 5344/3.5=19...(17) HA ARG 23 - HD3 ARG 26 poor 20 97 60 34 2.0-6.8 5341/6.1=13, 5344/3.5=6...(7) HA ARG 23 - HD3 ARG 27 far 10 100 10 - 5.5-9.0 HA ARG 27 - HD2 ARG 26 far 9 93 10 - 3.5-7.9 HA ASN 49 - HD3 ARG 66 far 6 37 15 - 4.6-11.4 HA ARG 27 - HD2 ARG 23 far 5 97 5 - 5.2-11.8 HA ARG 23 - HD2 ARG 71 far 4 71 5 - 5.7-17.9 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.8-9.8 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 6.3-10.5 HA ARG 23 - HD2 ARG 27 far 0 100 0 - 6.4-10.4 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 6.5-11.5 HB THR 88 - HD2 ARG 84 far 0 84 0 - 6.5-18.5 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.7-10.4 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.8-11.2 HA ARG 23 - HD3 ARG 84 far 0 90 0 - 7.0-41.7 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 7.1-11.0 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 7.5-16.2 HA ARG 23 - HD2 ARG 84 far 0 87 0 - 8.0-42.3 HB THR 88 - HD3 ARG 84 far 0 88 0 - 8.1-18.7 HA ALA 30 - HD2 ARG 23 far 0 98 0 - 8.8-16.0 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 9.3-27.3 HA ASN 49 - HD2 ARG 82 far 0 77 0 - 9.5-36.7 HA GLN 91 - HD2 ARG 71 far 0 68 0 - 9.5-53.4 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 9.9-27.5 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 72 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.0-3.9 3.5=54, 1286/2.9=24...(33) * HB2 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.3-3.7 3.5=54, 1286/2.9=24...(33) HB3 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB3 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.2-3.6 3.5=54, 1286/2.9=24...(33) HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.9 3.6=52, 1161/1.8=19...(42) HB2 ARG 17 + HD3 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB2 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.3-4.0 3.5=54, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.2-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 92 99 100 94 2.1-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 92 99 100 94 2.0-3.8 3.5=54, 3.0/1421=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.0-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 60 68 100 88 2.1-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 23 - HD3 ARG 26 far 10 97 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 96 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 71 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 71 5 - 4.1-16.0 HB2 ARG 66 - HD2 ARG 82 far 2 44 5 - 3.3-31.8 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 68 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 55 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.2-12.9 HB2 ARG 66 - HD3 ARG 84 far 0 49 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 7.5-29.6 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 8.0-12.5 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 59 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 40 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 90 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 46 0 - 8.8-37.0 HB2 LYS 73 - HD3 ARG 84 far 0 60 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 87 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 83 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 40 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 72 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 57 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 63 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 100 0 - 10.0-23.8 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 73 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.0-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.3-3.7 3.5=54, 1287/2.9=24...(33) * HB3 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) HB3 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.2-3.6 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.3-4.0 3.5=54, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.2-4.2 3.5=54, 3.0/1421=8...(58) HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.9 3.6=52, 1161/1.8=19...(42) HB2 ARG 17 + HD3 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB3 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.1-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.0-3.8 3.5=54, 3.0/1421=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 70 100 88 2.0-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.1-4.2 3.5=54, 3.0/2902=17...(30) HB2 ARG 66 - HD3 ARG 66 poor 18 20 100 87 2.1-3.8 3.4=58, ~2701=14...(17) HB3 ARG 23 - HD3 ARG 26 far 10 97 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 96 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 71 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 71 5 - 4.1-16.0 HB2 ARG 66 - HD2 ARG 82 far 2 47 5 - 3.3-31.8 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 68 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 53 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.2-12.9 HB2 ARG 66 - HD3 ARG 84 far 0 51 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 7.5-29.6 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 8.0-12.5 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 57 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 41 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 90 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 48 0 - 8.8-37.0 HB2 LYS 73 - HD3 ARG 84 far 0 58 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 87 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 83 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 40 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 22 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 70 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 55 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 99 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 60 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 99 0 - 10.0-23.8 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 68 assignments used, quality = 1.00: * HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 82 + HD2 ARG 82 OK 42 55 100 77 2.0-3.9 3.6=53, ~5479=23...(6) HG3 ARG 66 + HD3 ARG 66 OK 24 24 100 100 2.3-3.0 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 poor 19 65 30 - 3.2-7.4 HG2 ARG 23 - HD3 ARG 26 far 15 97 15 - 4.0-9.1 HG2 ARG 23 - HD3 ARG 27 far 10 100 10 - 3.3-10.7 HB3 LEU 64 - HD2 ARG 27 poor 9 65 35 42 3.0-6.6 3.1/5019=14, 3.1/5098=9...(9) HG LEU 29 - HD2 ARG 26 far 5 98 5 - 4.0-7.2 HB2 ARG 82 - HD3 ARG 84 far 3 60 5 - 4.2-10.2 HB2 ARG 82 - HD2 ARG 84 far 3 57 5 - 3.7-9.3 HG3 ARG 66 - HD2 ARG 82 far 3 53 5 - 4.1-34.2 HG2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.5-9.7 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 4.7-17.4 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.8-11.7 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 4.8-7.4 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 5.3-17.0 HD3 LYS 13 - HD3 ARG 26 far 0 96 0 - 5.6-30.0 HD3 LYS 75 - HD2 ARG 23 far 0 99 0 - 5.8-27.6 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 5.8-18.4 HD3 LYS 75 - HD3 ARG 23 far 0 99 0 - 6.0-26.0 HD2 LYS 13 - HD3 ARG 26 far 0 96 0 - 6.0-29.4 HB2 ARG 82 - HD3 ARG 66 far 0 25 0 - 6.1-33.8 HD3 LYS 13 - HD2 ARG 26 far 0 97 0 - 6.1-29.2 HD2 LYS 13 - HD2 ARG 26 far 0 97 0 - 6.4-28.6 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 6.6-9.9 HB3 LYS 13 - HD3 ARG 26 far 0 92 0 - 7.0-29.1 HD2 LYS 75 - HD2 ARG 23 far 0 99 0 - 7.1-27.5 HD2 LYS 75 - HD3 ARG 23 far 0 99 0 - 7.2-25.8 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 7.3-25.5 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 7.3-9.2 HB2 ARG 82 - HD2 ARG 26 far 0 69 0 - 7.4-40.2 HB3 LEU 64 - HD2 ARG 26 far 0 61 0 - 7.5-14.4 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 23 0 - 7.7-33.0 HB3 LYS 13 - HD2 ARG 26 far 0 93 0 - 7.7-28.6 HB3 LEU 64 - HD3 ARG 26 far 0 61 0 - 7.9-14.3 HD3 LYS 75 - HD2 ARG 27 far 0 99 0 - 7.9-26.0 HG3 ARG 66 - HD2 ARG 71 far 0 43 0 - 8.0-13.1 HB3 LEU 64 - HD2 ARG 23 far 0 65 0 - 8.1-15.6 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 8.1-25.5 HB2 ARG 82 - HD2 ARG 71 far 0 45 0 - 8.3-32.2 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 8.4-12.7 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 8.7-18.1 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 8.7-11.9 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.8-18.2 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 8.9-12.0 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 8.9-15.7 HB3 LEU 64 - HD3 ARG 23 far 0 65 0 - 9.0-15.3 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 9.0-17.0 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 9.0-13.0 HB2 ARG 82 - HD3 ARG 26 far 0 68 0 - 9.1-40.0 HG LEU 29 - HD3 ARG 84 far 0 90 0 - 9.1-42.8 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.3-11.9 HD2 LYS 75 - HD2 ARG 27 far 0 99 0 - 9.4-26.5 HG3 ARG 66 - HD2 ARG 27 far 0 70 0 - 9.4-14.2 HD2 LYS 13 - HD3 ARG 27 far 0 99 0 - 9.4-29.9 HD3 LYS 13 - HD2 ARG 27 far 0 99 0 - 9.4-31.3 HD3 LYS 75 - HD3 ARG 27 far 0 99 0 - 9.6-25.3 HG2 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.7-41.4 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 9.7-16.3 HD3 LYS 75 - HD2 ARG 26 far 0 97 0 - 9.9-30.6 HG3 ARG 66 - HD3 ARG 84 far 0 58 0 - 9.9-39.3 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 9.9-17.9 HD3 LYS 13 - HD3 ARG 27 far 0 99 0 - 10.0-30.4 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 31 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 2.3-3.0 2.9=99, 3.8/1267=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 - HD2 ARG 27 far 10 100 10 - 4.3-12.7 HG3 ARG 23 - HD2 ARG 26 far 10 98 10 - 3.5-8.5 HG3 ARG 23 - HD3 ARG 26 far 10 97 10 - 2.5-9.5 HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 2.7-11.6 HG LEU 64 - HD3 ARG 27 far 5 100 5 - 3.4-7.8 HB3 LEU 86 - HD2 ARG 84 far 3 62 5 - 3.6-11.3 HG2 ARG 82 - HD3 ARG 66 far 2 36 5 - 3.8-31.6 HG LEU 62 - HD3 ARG 66 far 1 24 5 - 4.4-8.5 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.6-7.0 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 4.9-8.7 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 4.9-12.2 HG2 ARG 82 - HD2 ARG 66 far 0 33 0 - 5.2-32.3 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 5.2-10.4 HG2 ARG 82 - HD3 ARG 84 far 0 81 0 - 5.4-13.1 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.3-18.6 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.2-13.2 HG LEU 62 - HD2 ARG 82 far 0 53 0 - 7.6-38.1 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 7.8-10.6 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.0-10.3 HG2 ARG 82 - HD2 ARG 71 far 0 62 0 - 8.2-29.7 HB3 LEU 86 - HD2 ARG 82 far 0 60 0 - 8.7-17.4 HG LEU 64 - HD3 ARG 23 far 0 100 0 - 9.5-16.2 HG3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-42.6 HB3 LEU 86 - HD2 ARG 26 far 0 74 0 - 9.6-48.6 HG2 ARG 82 - HD2 ARG 26 far 0 91 0 - 9.6-37.8 HG LEU 64 - HD2 ARG 26 far 0 98 0 - 9.7-14.9 HG LEU 64 - HD3 ARG 26 far 0 97 0 - 9.7-15.1 HB3 LEU 86 - HD3 ARG 26 far 0 73 0 - 9.9-48.7 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 29 assignments used, quality = 1.00: * HA ARG 23 + HD3 ARG 23 OK 99 100 100 99 2.4-4.7 1285/2.9=71, 5.2=56...(34) HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 2.6-5.4 1285/2.9=71, 5.2=56...(34) HA ARG 27 + HD2 ARG 27 OK 95 96 100 99 2.3-5.5 5.4=51, 1419/3.0=35...(58) HA ARG 27 + HD3 ARG 27 OK 95 96 100 99 2.0-4.8 5.4=51, 1419/3.0=35...(58) HA ARG 23 + HD2 ARG 26 OK 28 98 80 35 2.7-6.4 5341/6.1=13, 5344/3.5=6...(7) HA ARG 27 + HD3 ARG 26 OK 20 92 25 87 2.8-7.9 ~65=29, 5344/3.5=19...(17) HA ARG 23 - HD3 ARG 26 poor 20 97 60 34 2.0-6.8 5341/6.1=13, 5344/3.5=6...(7) HA ARG 23 - HD3 ARG 27 far 10 100 10 - 5.5-9.0 HA ARG 27 - HD2 ARG 26 far 9 93 10 - 3.5-7.9 HA ASN 49 - HD3 ARG 66 far 6 37 15 - 4.6-11.4 HA ARG 27 - HD2 ARG 23 far 5 97 5 - 5.2-11.8 HA ARG 23 - HD2 ARG 71 far 4 71 5 - 5.7-17.9 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.8-9.8 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 6.3-10.5 HA ARG 23 - HD2 ARG 27 far 0 100 0 - 6.4-10.4 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 6.5-11.5 HB THR 88 - HD2 ARG 84 far 0 84 0 - 6.5-18.5 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.7-10.4 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.8-11.2 HA ARG 23 - HD3 ARG 84 far 0 90 0 - 7.0-41.7 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 7.1-11.0 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 7.5-16.2 HA ARG 23 - HD2 ARG 84 far 0 87 0 - 8.0-42.3 HB THR 88 - HD3 ARG 84 far 0 88 0 - 8.1-18.7 HA ALA 30 - HD2 ARG 23 far 0 98 0 - 8.8-16.0 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 9.3-27.3 HA ASN 49 - HD2 ARG 82 far 0 77 0 - 9.5-36.7 HA GLN 91 - HD2 ARG 71 far 0 68 0 - 9.5-53.4 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 9.9-27.5 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 72 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.0-3.9 3.5=54, 1286/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.3-3.7 3.5=54, 1286/2.9=24...(33) HB3 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.1-3.9 3.5=54, 1286/2.9=24...(33) HB3 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.2-3.6 3.5=54, 1286/2.9=24...(33) HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.9 3.6=52, 1161/1.8=19...(42) HB2 ARG 17 + HD3 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB2 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.3-4.0 3.5=54, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.2-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD2 ARG 27 OK 92 99 100 94 2.1-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 92 99 100 94 2.0-3.8 3.5=54, 3.0/1421=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.0-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 60 68 100 88 2.1-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 23 - HD3 ARG 26 far 10 97 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 96 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 71 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 71 5 - 4.1-16.0 HB2 ARG 66 - HD2 ARG 82 far 2 44 5 - 3.3-31.8 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 68 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 55 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.2-12.9 HB2 ARG 66 - HD3 ARG 84 far 0 49 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 7.5-29.6 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 8.0-12.5 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 59 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 40 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 90 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 46 0 - 8.8-37.0 HB2 LYS 73 - HD3 ARG 84 far 0 60 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 87 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 83 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 40 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 72 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 57 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 63 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 100 0 - 10.0-23.8 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 73 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.0-3.9 3.5=54, 1287/2.9=24...(33) HB2 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.3-3.7 3.5=54, 1287/2.9=24...(33) HB3 ARG 23 + HD2 ARG 23 OK 95 100 100 95 2.1-3.9 3.5=54, 1287/2.9=24...(33) * HB3 ARG 23 + HD3 ARG 23 OK 95 100 100 95 2.2-3.6 3.5=54, 1287/2.9=24...(33) HB2 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.3-4.0 3.5=54, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.2-4.2 3.5=54, 3.0/1421=8...(58) HB2 ARG 17 + HD2 ARG 17 OK 93 98 100 95 2.1-3.9 3.6=52, 1161/1.8=19...(42) HB2 ARG 17 + HD3 ARG 17 OK 93 98 100 95 2.1-3.8 3.6=52, 1161/1.8=19...(42) HB3 ARG 27 + HD2 ARG 27 OK 93 99 100 94 2.1-4.2 3.5=54, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 93 99 100 94 2.0-3.8 3.5=54, 3.0/1421=8...(58) HB2 ARG 71 + HD2 ARG 71 OK 61 70 100 88 2.0-4.2 3.5=54, 3.0/2902=17...(30) HB3 ARG 71 + HD2 ARG 71 OK 61 69 100 88 2.1-4.2 3.5=54, 3.0/2902=17...(30) HB2 ARG 66 - HD3 ARG 66 poor 18 20 100 87 2.1-3.8 3.4=58, ~2701=14...(17) HB3 ARG 23 - HD3 ARG 26 far 10 97 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 97 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 96 5 - 4.1-8.9 HB2 ARG 23 - HD2 ARG 71 far 4 71 5 - 3.5-16.2 HB3 ARG 23 - HD2 ARG 71 far 4 71 5 - 4.1-16.0 HB2 ARG 66 - HD2 ARG 82 far 2 47 5 - 3.3-31.8 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 4.7-14.3 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.7-11.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 5.7-13.8 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 68 0 - 6.7-28.0 HB2 LYS 73 - HD2 ARG 82 far 0 53 0 - 7.0-23.6 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.2-12.9 HB2 ARG 66 - HD3 ARG 84 far 0 51 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 7.5-29.6 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 8.0-12.5 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 8.0-11.7 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 57 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 100 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 41 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 90 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 48 0 - 8.8-37.0 HB2 LYS 73 - HD3 ARG 84 far 0 58 0 - 8.9-26.7 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 87 0 - 9.4-41.7 HB2 ARG 71 - HD2 ARG 82 far 0 83 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 40 0 - 9.6-14.1 HB2 LYS 73 - HD2 ARG 66 far 0 22 0 - 9.7-15.8 HB2 LYS 73 - HD3 ARG 17 far 0 70 0 - 9.8-30.9 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB2 LYS 73 - HD2 ARG 84 far 0 55 0 - 9.9-27.8 HB3 ARG 71 - HD3 ARG 17 far 0 99 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 89 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 60 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 99 0 - 10.0-23.8 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 68 assignments used, quality = 1.00: HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 82 + HD2 ARG 82 OK 42 55 100 77 2.0-3.9 3.6=53, ~5479=23...(6) HG3 ARG 66 + HD3 ARG 66 OK 24 24 100 100 2.3-3.0 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 poor 19 65 30 - 3.2-7.4 HG2 ARG 23 - HD3 ARG 26 far 15 97 15 - 4.0-9.1 HG2 ARG 23 - HD3 ARG 27 far 10 100 10 - 3.3-10.7 HB3 LEU 64 - HD2 ARG 27 poor 9 65 35 42 3.0-6.6 3.1/5019=14, 3.1/5098=9...(9) HG LEU 29 - HD2 ARG 26 far 5 98 5 - 4.0-7.2 HB2 ARG 82 - HD3 ARG 84 far 3 60 5 - 4.2-10.2 HB2 ARG 82 - HD2 ARG 84 far 3 57 5 - 3.7-9.3 HG3 ARG 66 - HD2 ARG 82 far 3 53 5 - 4.1-34.2 HG2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.5-9.7 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 4.7-17.4 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.8-11.7 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 4.8-7.4 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 5.3-17.0 HD3 LYS 13 - HD3 ARG 26 far 0 96 0 - 5.6-30.0 HD3 LYS 75 - HD2 ARG 23 far 0 99 0 - 5.8-27.6 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 5.8-18.4 HD3 LYS 75 - HD3 ARG 23 far 0 99 0 - 6.0-26.0 HD2 LYS 13 - HD3 ARG 26 far 0 96 0 - 6.0-29.4 HB2 ARG 82 - HD3 ARG 66 far 0 25 0 - 6.1-33.8 HD3 LYS 13 - HD2 ARG 26 far 0 97 0 - 6.1-29.2 HD2 LYS 13 - HD2 ARG 26 far 0 97 0 - 6.4-28.6 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 6.6-9.9 HB3 LYS 13 - HD3 ARG 26 far 0 92 0 - 7.0-29.1 HD2 LYS 75 - HD2 ARG 23 far 0 99 0 - 7.1-27.5 HD2 LYS 75 - HD3 ARG 23 far 0 99 0 - 7.2-25.8 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 7.3-25.5 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 7.3-9.2 HB2 ARG 82 - HD2 ARG 26 far 0 69 0 - 7.4-40.2 HB3 LEU 64 - HD2 ARG 26 far 0 61 0 - 7.5-14.4 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 23 0 - 7.7-33.0 HB3 LYS 13 - HD2 ARG 26 far 0 93 0 - 7.7-28.6 HB3 LEU 64 - HD3 ARG 26 far 0 61 0 - 7.9-14.3 HD3 LYS 75 - HD2 ARG 27 far 0 99 0 - 7.9-26.0 HG3 ARG 66 - HD2 ARG 71 far 0 43 0 - 8.0-13.1 HB3 LEU 64 - HD2 ARG 23 far 0 65 0 - 8.1-15.6 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 8.1-25.5 HB2 ARG 82 - HD2 ARG 71 far 0 45 0 - 8.3-32.2 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 8.4-12.7 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 8.7-18.1 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 8.7-11.9 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.8-18.2 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 8.9-12.0 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 8.9-15.7 HB3 LEU 64 - HD3 ARG 23 far 0 65 0 - 9.0-15.3 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 9.0-17.0 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 9.0-13.0 HB2 ARG 82 - HD3 ARG 26 far 0 68 0 - 9.1-40.0 HG LEU 29 - HD3 ARG 84 far 0 90 0 - 9.1-42.8 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.3-11.9 HD2 LYS 75 - HD2 ARG 27 far 0 99 0 - 9.4-26.5 HG3 ARG 66 - HD2 ARG 27 far 0 70 0 - 9.4-14.2 HD2 LYS 13 - HD3 ARG 27 far 0 99 0 - 9.4-29.9 HD3 LYS 13 - HD2 ARG 27 far 0 99 0 - 9.4-31.3 HD3 LYS 75 - HD3 ARG 27 far 0 99 0 - 9.6-25.3 HG2 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.7-41.4 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 9.7-16.3 HD3 LYS 75 - HD2 ARG 26 far 0 97 0 - 9.9-30.6 HG3 ARG 66 - HD3 ARG 84 far 0 58 0 - 9.9-39.3 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 9.9-17.9 HD3 LYS 13 - HD3 ARG 27 far 0 99 0 - 10.0-30.4 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 31 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 2.3-3.0 2.9=99, 3.8/1267=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 - HD2 ARG 27 far 10 100 10 - 4.3-12.7 HG3 ARG 23 - HD2 ARG 26 far 10 98 10 - 3.5-8.5 HG3 ARG 23 - HD3 ARG 26 far 10 97 10 - 2.5-9.5 HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 2.7-11.6 HG LEU 64 - HD3 ARG 27 far 5 100 5 - 3.4-7.8 HB3 LEU 86 - HD2 ARG 84 far 3 62 5 - 3.6-11.3 HG2 ARG 82 - HD3 ARG 66 far 2 36 5 - 3.8-31.6 HG LEU 62 - HD3 ARG 66 far 1 24 5 - 4.4-8.5 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.6-7.0 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 4.9-8.7 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 4.9-12.2 HG2 ARG 82 - HD2 ARG 66 far 0 33 0 - 5.2-32.3 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 5.2-10.4 HG2 ARG 82 - HD3 ARG 84 far 0 81 0 - 5.4-13.1 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.3-18.6 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.2-13.2 HG LEU 62 - HD2 ARG 82 far 0 53 0 - 7.6-38.1 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 7.8-10.6 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.0-10.3 HG2 ARG 82 - HD2 ARG 71 far 0 62 0 - 8.2-29.7 HB3 LEU 86 - HD2 ARG 82 far 0 60 0 - 8.7-17.4 HG LEU 64 - HD3 ARG 23 far 0 100 0 - 9.5-16.2 HG3 ARG 23 - HD3 ARG 84 far 0 90 0 - 9.6-42.6 HB3 LEU 86 - HD2 ARG 26 far 0 74 0 - 9.6-48.6 HG2 ARG 82 - HD2 ARG 26 far 0 91 0 - 9.6-37.8 HG LEU 64 - HD2 ARG 26 far 0 98 0 - 9.7-14.9 HG LEU 64 - HD3 ARG 26 far 0 97 0 - 9.7-15.1 HB3 LEU 86 - HD3 ARG 26 far 0 73 0 - 9.9-48.7 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 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1320 from cnoeabs.peaks (8.34, 2.56, 40.55 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 24 + HB2 ASP 24 OK 100 100 100 100 3.0-3.6 4.0=100 H GLU 19 - HB2 ASP 24 far 0 93 0 - 7.8-16.9 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 - 7.5-11.4 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 2.1-2.4 4.0=100 H GLU 19 - HB3 ASP 24 far 0 93 0 - 8.3-15.9 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (4.49, 2.59, 40.55 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 24 + HB3 ASP 24 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 46 - HB3 ASP 47 far 0 58 0 - 5.5-6.4 HA ASP 67 - HB3 ASP 24 far 0 97 0 - 7.5-13.1 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 6 57 10 - 3.7-6.0 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 23 assignments used, quality = 1.00: * H GLU 25 + HA GLU 25 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 28 + HA GLU 25 OK 83 96 100 87 3.2-3.9 2.9/4181=38, 5347=34...(15) H ARG 27 + HA GLU 25 OK 55 76 100 72 3.7-4.6 5380/3.6=37, 61=20...(10) H ARG 27 + HA ARG 26 OK 52 53 100 98 3.4-3.6 3.6=87, 5380/3.0=45...(18) H ALA 28 + HA ARG 27 OK 48 50 100 97 3.4-3.6 3.6=87, 71/3.0=25...(13) H ALA 28 + HA ARG 26 OK 45 71 100 63 3.8-4.8 5347=18, 76/4184=16...(9) H ARG 27 + HA ARG 27 OK 36 36 100 100 2.8-2.9 3.0=100 H SER 22 - HA GLU 25 far 5 97 5 - 4.9-7.2 H GLU 25 - HA ARG 26 far 4 79 5 - 4.9-5.5 H SER 22 - HA ARG 26 far 4 74 5 - 4.8-9.1 H ALA 77 - HA ARG 71 far 3 61 5 - 4.5-13.6 H GLU 25 - HA ARG 27 far 0 56 0 - 6.4-7.1 H THR 15 - HA ARG 26 far 0 78 0 - 8.0-22.4 H GLU 25 - HA ARG 71 far 0 93 0 - 8.2-14.7 H GLN 79 - HA ARG 71 far 0 81 0 - 8.3-18.2 H THR 15 - HA ARG 71 far 0 92 0 - 8.4-34.6 H ARG 84 - HA GLU 25 far 0 100 0 - 8.5-35.3 H SER 22 - HA ARG 27 far 0 51 0 - 8.6-11.1 H ARG 84 - HA ARG 26 far 0 79 0 - 9.0-40.0 H ARG 84 - HA ARG 71 far 0 93 0 - 9.2-30.3 H GLN 79 - HA GLU 25 far 0 92 0 - 9.4-25.5 H THR 15 - HA ARG 27 far 0 55 0 - 9.6-24.1 H ARG 27 - HA ARG 71 far 0 65 0 - 9.9-14.9 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): 4 out of 17 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 2.5-3.0 3.0=100 HB3 GLU 25 + HA ARG 26 OK 65 79 95 87 3.7-4.5 56/3.0=21, 1341=19...(24) HB2 GLU 25 + HA ARG 26 OK 52 79 75 87 4.0-5.6 56/3.0=21, 1335=17...(24) HB3 GLU 19 - HA GLU 25 far 0 92 0 - 5.1-15.3 HB3 MET 31 - HA ARG 27 far 0 44 0 - 5.3-7.5 HB VAL 76 - HA ARG 71 far 0 89 0 - 6.0-13.7 HD2 ARG 69 - HA ARG 71 far 0 65 0 - 6.9-10.5 HB3 GLU 19 - HA ARG 26 far 0 67 0 - 7.0-17.1 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.2-7.8 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.3-8.4 HD3 ARG 69 - HA ARG 71 far 0 65 0 - 7.4-10.9 HB3 MET 31 - HA ARG 26 far 0 64 0 - 8.3-10.4 HB VAL 76 - HA GLU 25 far 0 98 0 - 8.6-22.2 HB3 MET 31 - HA GLU 25 far 0 89 0 - 8.9-10.7 HB2 GLU 87 - HA ARG 26 far 0 55 0 - 9.4-48.5 HB3 GLN 91 - HA ARG 71 far 0 84 0 - 9.5-50.5 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (2.05, 4.09, 58.48 ppm; 3.04 A): 4 out of 17 assignments used, quality = 1.00: * HB3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.5-3.0 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 OK 66 79 95 87 3.7-4.5 57/3.0=21, 1341=19...(24) HB2 GLU 25 + HA ARG 26 OK 52 79 75 87 4.0-5.6 57/3.0=21, 1335=17...(24) HB3 GLU 19 - HA GLU 25 far 0 90 0 - 5.1-15.3 HB3 MET 31 - HA ARG 27 far 0 45 0 - 5.3-7.5 HB VAL 76 - HA ARG 71 far 0 88 0 - 6.0-13.7 HD2 ARG 69 - HA ARG 71 far 0 63 0 - 6.9-10.5 HB3 GLU 19 - HA ARG 26 far 0 66 0 - 7.0-17.1 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.2-7.8 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.3-8.4 HD3 ARG 69 - HA ARG 71 far 0 63 0 - 7.4-10.9 HB3 MET 31 - HA ARG 26 far 0 66 0 - 8.3-10.4 HB VAL 76 - HA GLU 25 far 0 97 0 - 8.6-22.2 HB3 MET 31 - HA GLU 25 far 0 90 0 - 8.9-10.7 HB2 GLU 87 - HA ARG 26 far 0 53 0 - 9.4-48.5 HB3 GLN 91 - HA ARG 71 far 0 83 0 - 9.5-50.5 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 15 assignments used, quality = 1.00: * HG2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.0-3.8 1347=71, 1.8/1333=66...(17) HG2 GLU 25 - HA ARG 26 far 4 79 5 - 3.8-6.6 HB2 PRO 14 - HA ARG 26 far 3 64 5 - 4.8-22.6 HG3 GLU 19 - HA ARG 26 far 0 43 0 - 5.4-19.1 HG2 GLU 19 - HA ARG 26 far 0 43 0 - 5.5-18.5 HG2 GLU 19 - HA GLU 25 far 0 63 0 - 5.7-16.1 HG3 GLU 19 - HA GLU 25 far 0 63 0 - 6.0-16.4 HB2 PRO 14 - HA ARG 27 far 0 44 0 - 6.4-25.3 HG2 GLU 25 - HA ARG 27 far 0 56 0 - 7.9-9.1 HB2 PRO 14 - HA ARG 71 far 0 78 0 - 8.5-34.9 HG2 GLU 19 - HA ARG 71 far 0 53 0 - 8.6-25.3 HB2 PRO 14 - HA GLU 25 far 0 89 0 - 8.9-23.9 HG2 GLU 19 - HA ARG 27 far 0 28 0 - 9.4-17.2 HG2 GLU 25 - HA ARG 71 far 0 93 0 - 9.6-16.9 HG3 GLU 19 - HA ARG 27 far 0 28 0 - 9.7-17.5 Violated in 1 structures by 0.01 A. Peak 1333 from cnoeabs.peaks (2.30, 4.09, 58.48 ppm; 3.85 A): 1 out of 11 assignments used, quality = 1.00: * HG3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.2-3.7 1353=99, 1.8/1332=81...(22) HG3 GLU 25 - HA ARG 26 far 4 79 5 - 4.0-6.7 HB2 PRO 14 - HA ARG 26 far 2 47 5 - 4.8-22.6 HB2 PRO 14 - HA ARG 27 far 0 31 0 - 6.4-25.3 HG3 GLU 25 - HA ARG 27 far 0 56 0 - 7.1-9.8 HB2 PRO 14 - HA ARG 71 far 0 58 0 - 8.5-34.9 HG3 GLN 79 - HA GLU 25 far 0 71 0 - 8.5-27.7 HG2 GLN 79 - HA ARG 71 far 0 61 0 - 8.5-17.2 HG2 GLN 79 - HA GLU 25 far 0 71 0 - 8.8-28.2 HB2 PRO 14 - HA GLU 25 far 0 68 0 - 8.9-23.9 HG3 GLN 79 - HA ARG 71 far 0 61 0 - 9.3-17.4 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 5 out of 13 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 99 100 100 99 2.3-3.6 4.0=65, 523/3.0=45...(16) H SER 22 + HB2 GLU 25 OK 72 97 90 82 2.0-5.2 2.9/4153=22, 4152=20...(12) H SER 22 + HB3 GLU 25 OK 66 97 85 80 2.0-6.6 4152/1.8=20, 1346/3.0=18...(12) H ARG 27 + HB2 GLU 25 OK 28 76 55 67 4.6-5.9 5380/4.7=26, 61/3.0=15...(11) H ARG 27 - HB3 GLU 25 poor 18 76 35 67 4.6-5.6 5380/4.7=26, 61/3.0=15...(11) H ALA 28 - HB2 GLU 25 far 5 96 5 - 4.4-5.9 H ALA 28 - HB3 GLU 25 far 0 96 0 - 5.0-5.7 H ARG 84 - HB3 GLU 25 far 0 100 0 - 6.1-36.2 H ARG 84 - HB2 GLU 25 far 0 100 0 - 6.4-36.2 H GLN 79 - HB2 GLU 25 far 0 92 0 - 8.3-28.0 H THR 15 - HB3 GLU 25 far 0 100 0 - 8.7-23.0 H GLN 79 - HB3 GLU 25 far 0 92 0 - 9.2-27.9 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.16 A): 4 out of 6 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 2.5-3.0 3.0=100 HA ARG 26 + HB3 GLU 25 OK 74 83 100 90 3.7-4.5 3.0/56=23, 1331=21...(24) HA ARG 26 + HB2 GLU 25 OK 67 83 90 90 4.0-5.6 3.0/56=23, 1330=16...(24) HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.2-7.8 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.3-8.4 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 8 assignments used, quality = 1.00: * HG2 GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=88, 1332/3.0=35...(20) HG2 GLU 25 + HB3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=88, 1332/3.0=35...(20) HG3 GLU 19 - HB3 GLU 25 far 3 63 5 - 3.8-17.5 HG2 GLU 19 - HB2 GLU 25 far 3 63 5 - 4.4-15.3 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.8-16.7 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.3-16.0 HB2 PRO 14 - HB3 GLU 25 far 0 89 0 - 8.1-24.0 HB2 PRO 14 - HB2 GLU 25 far 0 89 0 - 8.6-23.6 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 8 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 HG3 GLN 79 - HB2 GLU 25 far 0 71 0 - 7.4-30.1 HG3 GLN 79 - HB3 GLU 25 far 0 71 0 - 7.7-30.0 HG2 GLN 79 - HB2 GLU 25 far 0 71 0 - 8.0-30.5 HB2 PRO 14 - HB3 GLU 25 far 0 68 0 - 8.1-24.0 HG2 GLN 79 - HB3 GLU 25 far 0 71 0 - 8.5-30.5 HB2 PRO 14 - HB2 GLU 25 far 0 68 0 - 8.6-23.6 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 5 out of 13 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 99 100 100 99 2.3-3.6 4.0=65, 523/3.0=45...(16) H SER 22 + HB2 GLU 25 OK 72 97 90 82 2.0-5.2 2.9/4153=22, 4152=20...(12) H SER 22 + HB3 GLU 25 OK 66 97 85 80 2.0-6.6 4152/1.8=20, 1346/3.0=18...(12) H ARG 27 + HB2 GLU 25 OK 28 76 55 67 4.6-5.9 5380/4.7=26, 61/3.0=15...(11) H ARG 27 - HB3 GLU 25 poor 18 76 35 67 4.6-5.6 5380/4.7=26, 61/3.0=15...(11) H ALA 28 - HB2 GLU 25 far 5 96 5 - 4.4-5.9 H ALA 28 - HB3 GLU 25 far 0 96 0 - 5.0-5.7 H ARG 84 - HB3 GLU 25 far 0 100 0 - 6.1-36.2 H ARG 84 - HB2 GLU 25 far 0 100 0 - 6.4-36.2 H GLN 79 - HB2 GLU 25 far 0 92 0 - 8.3-28.0 H THR 15 - HB3 GLU 25 far 0 100 0 - 8.7-23.0 H GLN 79 - HB3 GLU 25 far 0 92 0 - 9.2-27.9 Violated in 0 structures by 0.00 A. Peak 1341 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.16 A): 4 out of 6 assignments used, quality = 1.00: * HA GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.5-3.0 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 OK 74 83 100 90 3.7-4.5 3.0/57=23, 1331=21...(24) HA ARG 26 + HB2 GLU 25 OK 67 83 90 90 4.0-5.6 3.0/57=23, 1330=16...(24) HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.2-7.8 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.3-8.4 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 8 assignments used, quality = 1.00: HG2 GLU 25 + HB2 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=88, 1332/3.0=35...(20) * HG2 GLU 25 + HB3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=88, 1332/3.0=35...(20) HG3 GLU 19 - HB3 GLU 25 far 3 63 5 - 3.8-17.5 HG2 GLU 19 - HB2 GLU 25 far 3 63 5 - 4.4-15.3 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.8-16.7 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.3-16.0 HB2 PRO 14 - HB3 GLU 25 far 0 89 0 - 8.1-24.0 HB2 PRO 14 - HB2 GLU 25 far 0 89 0 - 8.6-23.6 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 8 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 HG3 GLN 79 - HB2 GLU 25 far 0 71 0 - 7.4-30.1 HG3 GLN 79 - HB3 GLU 25 far 0 71 0 - 7.7-30.0 HG2 GLN 79 - HB2 GLU 25 far 0 71 0 - 8.0-30.5 HB2 PRO 14 - HB3 GLU 25 far 0 68 0 - 8.1-24.0 HG2 GLN 79 - HB3 GLU 25 far 0 71 0 - 8.5-30.5 HB2 PRO 14 - HB2 GLU 25 far 0 68 0 - 8.6-23.6 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 19 assignments used, quality = 1.00: * H GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.2-4.2 523=100, 524/1.8=84...(13) H SER 22 + HG2 GLU 25 OK 90 97 100 93 2.0-5.2 2.9/5500=40, 3.9/5498=40...(11) H ALA 28 - HG2 GLU 25 far 14 96 15 - 5.2-6.7 H ARG 27 - HG2 GLU 25 far 11 76 15 - 5.8-6.5 H SER 22 - HG2 GLU 19 far 3 57 5 - 5.8-11.8 H THR 15 - HG3 GLU 19 far 0 61 0 - 6.2-17.9 H SER 22 - HG3 GLU 19 far 0 57 0 - 6.3-12.3 H THR 15 - HG2 GLU 19 far 0 61 0 - 6.8-16.3 H GLN 79 - HG2 GLU 25 far 0 92 0 - 6.9-26.0 H GLU 25 - HG2 GLU 19 far 0 62 0 - 7.2-14.6 H ARG 84 - HG2 GLU 25 far 0 100 0 - 7.2-34.5 H GLU 25 - HG3 GLU 19 far 0 62 0 - 7.3-15.2 H ALA 28 - HG2 GLU 19 far 0 55 0 - 7.5-17.0 H ALA 28 - HG3 GLU 19 far 0 55 0 - 7.8-17.7 H ARG 27 - HG3 GLU 19 far 0 40 0 - 7.8-16.2 H ARG 27 - HG2 GLU 19 far 0 40 0 - 8.0-15.7 H ALA 77 - HG2 GLU 25 far 0 71 0 - 8.8-23.8 H ALA 77 - HG3 GLU 19 far 0 37 0 - 9.3-32.3 H ALA 77 - HG2 GLU 19 far 0 37 0 - 9.8-32.0 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 11 assignments used, quality = 1.00: * HA GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.0-3.8 1332=100, 1333/1.8=81...(17) HA ARG 26 - HG2 GLU 25 far 8 83 10 - 3.8-6.6 HA ARG 26 - HG3 GLU 19 far 2 45 5 - 5.4-19.1 HA ARG 26 - HG2 GLU 19 far 2 45 5 - 5.5-18.5 HA GLU 25 - HG2 GLU 19 far 0 62 0 - 5.7-16.1 HA GLU 25 - HG3 GLU 19 far 0 62 0 - 6.0-16.4 HA ARG 27 - HG2 GLU 25 far 0 65 0 - 7.9-9.1 HA ARG 71 - HG2 GLU 19 far 0 54 0 - 8.6-25.3 HA ARG 27 - HG2 GLU 19 far 0 33 0 - 9.4-17.2 HA ARG 71 - HG2 GLU 25 far 0 95 0 - 9.6-16.9 HA ARG 27 - HG3 GLU 19 far 0 33 0 - 9.7-17.5 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 12 assignments used, quality = 1.00: * HB2 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=74, 3.0/1332=31...(18) HB3 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=74, 3.0/1332=31...(18) HB3 GLU 19 + HG3 GLU 19 OK 44 52 100 86 2.3-3.0 3.0=73, 1223/1.8=18...(11) 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 - HG2 GLU 25 far 5 92 5 - 4.1-13.9 HB3 GLU 25 - HG3 GLU 19 far 3 62 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 58 0 - 5.7-35.1 HB VAL 76 - HG2 GLU 19 far 0 58 0 - 6.0-34.7 HB VAL 76 - HG2 GLU 25 far 0 98 0 - 6.8-21.1 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 12 assignments used, quality = 1.00: HB2 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=74, 3.0/1332=31...(18) * HB3 GLU 25 + HG2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=74, 3.0/1332=31...(18) HB3 GLU 19 + HG3 GLU 19 OK 43 50 100 86 2.3-3.0 3.0=73, 1223/1.8=17...(11) 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 - HG2 GLU 25 far 5 90 5 - 4.1-13.9 HB3 GLU 25 - HG3 GLU 19 far 3 62 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 57 0 - 5.7-35.1 HB VAL 76 - HG2 GLU 19 far 0 57 0 - 6.0-34.7 HB VAL 76 - HG2 GLU 25 far 0 97 0 - 6.8-21.1 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 7 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 3 62 5 - 3.8-15.9 HG3 GLU 25 - HG3 GLU 19 far 0 62 0 - 5.2-16.0 HB2 PRO 14 - HG3 GLU 19 far 0 35 0 - 5.4-19.1 HG3 GLN 79 - HG2 GLU 25 far 0 71 0 - 6.1-28.0 HG2 GLN 79 - HG2 GLU 25 far 0 71 0 - 6.4-28.5 HB2 PRO 14 - HG2 GLU 19 far 0 35 0 - 6.5-17.6 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (8.20, 2.30, 36.07 ppm; 4.60 A): 3 out of 7 assignments used, quality = 1.00: * H GLU 25 + HG3 GLU 25 OK 100 100 100 100 3.2-4.4 524=100, 523/1.8=92...(11) H SER 22 + HG3 GLU 25 OK 86 97 100 88 2.1-6.1 1346/1.8=40, ~5500=33...(8) H ALA 28 + HG3 GLU 25 OK 48 96 55 90 4.1-7.4 2.9/5512=44...(11) H ARG 27 - HG3 GLU 25 poor 18 76 30 79 5.3-7.3 4.6/3746=39...(7) H ARG 84 - HG3 GLU 25 far 5 100 5 - 5.5-35.7 H GLN 79 - HG3 GLU 25 far 0 92 0 - 6.5-27.5 H ALA 77 - HG3 GLU 25 far 0 71 0 - 9.5-25.3 Violated in 0 structures by 0.00 A. Peak 1353 from cnoeabs.peaks (4.09, 2.30, 36.07 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.2-3.7 1333=100, 1332/1.8=81...(23) HA ARG 26 - HG3 GLU 25 far 4 83 5 - 4.0-6.7 HA ALA 63 - HG3 GLU 59 far 0 43 0 - 6.3-9.3 HA ARG 27 - HG3 GLU 25 far 0 65 0 - 7.1-9.8 Violated in 0 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...(19) HB3 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1344/1.8=33...(19) HB3 GLU 19 - HG3 GLU 25 far 5 92 5 - 3.5-14.7 HB VAL 76 - HG3 GLU 25 far 0 98 0 - 7.2-22.6 HB3 MET 31 - HG3 GLU 59 far 0 62 0 - 8.6-13.9 HB3 MET 31 - HG3 GLU 25 far 0 89 0 - 10.0-14.0 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...(19) HB2 GLU 25 + HG3 GLU 25 OK 99 100 100 99 2.2-3.0 3.0=89, 1338/1.8=33...(19) HB3 GLU 19 - HG3 GLU 25 far 5 90 5 - 3.5-14.7 HB VAL 76 - HG3 GLU 25 far 0 97 0 - 7.2-22.6 HB3 MET 31 - HG3 GLU 59 far 0 64 0 - 8.6-13.9 HB3 MET 31 - HG3 GLU 25 far 0 90 0 - 10.0-14.0 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 3 63 5 - 3.8-15.9 HG3 GLU 19 - HG3 GLU 25 far 0 63 0 - 5.2-16.0 Violated in 0 structures by 0.00 A. Peak 1357 from cnoeabs.peaks (2.30, 2.30, 36.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 25 + HG3 GLU 25 OK 100 100 - 100 HG3 GLU 59 + HG3 GLU 59 OK 53 53 - 100 Peak 1358 from cnoeabs.peaks (8.13, 4.07, 58.59 ppm; 3.74 A): 4 out of 9 assignments used, quality = 1.00: * H ARG 26 + HA ARG 26 OK 100 100 100 100 2.7-2.8 3.0=100 H ARG 26 + HA GLU 25 OK 79 79 100 100 3.5-3.6 3.6=100 H ARG 71 + HA ARG 71 OK 58 58 100 100 2.8-2.9 2.9=100 H ASN 74 + HA ARG 71 OK 40 67 80 74 3.3-7.2 4.0/16010=31...(7) H ALA 78 - HA ARG 71 far 0 75 0 - 6.6-17.8 H LYS 85 - HA ARG 26 far 0 68 0 - 7.1-43.4 H THR 88 - HA ARG 26 far 0 100 0 - 8.1-50.2 H LYS 85 - HA GLU 25 far 0 47 0 - 8.4-38.6 H ARG 71 - HA GLU 25 far 0 49 0 - 9.9-14.0 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 24 assignments used, quality = 1.00: * HB2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 ARG 71 + HA ARG 71 OK 56 56 100 100 2.4-2.8 3.0=100 HB2 ARG 71 + HA ARG 71 OK 53 53 100 100 2.4-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 poor 13 45 30 - 4.4-6.7 HB3 ARG 27 - HA GLU 25 far 0 47 0 - 4.8-6.6 HB2 ARG 27 - HA ARG 26 far 0 65 0 - 5.5-6.6 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.5-6.6 HB3 ARG 27 - HA ARG 26 far 0 68 0 - 5.9-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 6.0-6.6 HB3 PRO 14 - HA ARG 26 far 0 99 0 - 6.1-24.2 HB ILE 68 - HA GLU 25 far 0 64 0 - 6.5-9.4 HB3 ARG 71 - HA GLU 25 far 0 47 0 - 7.2-13.8 HB ILE 68 - HA ARG 71 far 0 75 0 - 7.5-8.7 HG12 ILE 40 - HA GLU 25 far 0 49 0 - 7.7-10.3 HB2 ARG 71 - HA GLU 25 far 0 45 0 - 7.7-12.7 HB2 GLN 91 - HA ARG 71 far 0 75 0 - 8.1-51.9 HB2 ARG 27 - HA ARG 71 far 0 53 0 - 8.4-13.2 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 8.9-11.9 HB3 ARG 27 - HA ARG 71 far 0 56 0 - 9.0-13.0 HB3 PRO 14 - HA ARG 71 far 0 88 0 - 9.6-36.6 HB2 MET 11 - HA ARG 26 far 0 100 0 - 9.7-33.9 HB3 PRO 14 - HA GLU 25 far 0 76 0 - 9.8-25.5 HB3 GLU 87 - HA ARG 26 far 0 63 0 - 9.9-49.1 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.88, 4.07, 58.59 ppm; 3.30 A): 4 out of 27 assignments used, quality = 1.00: * HB3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 71 + HA ARG 71 OK 53 53 100 100 2.4-2.8 3.0=100 HB2 ARG 71 + HA ARG 71 OK 51 51 100 100 2.4-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 poor 13 43 30 - 4.4-6.7 HB3 ARG 27 - HA GLU 25 far 0 45 0 - 4.8-6.6 HB2 ARG 27 - HA ARG 26 far 0 63 0 - 5.5-6.6 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.5-6.6 HB3 ARG 27 - HA ARG 26 far 0 65 0 - 5.9-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 6.0-6.6 HB3 PRO 14 - HA ARG 26 far 0 99 0 - 6.1-24.2 HB2 GLU 19 - HA GLU 25 far 0 40 0 - 6.3-15.2 HB ILE 68 - HA GLU 25 far 0 66 0 - 6.5-9.4 HB2 GLU 19 - HA ARG 26 far 0 60 0 - 6.6-16.7 HB3 ARG 71 - HA GLU 25 far 0 45 0 - 7.2-13.8 HB ILE 68 - HA ARG 71 far 0 77 0 - 7.5-8.7 HG12 ILE 40 - HA GLU 25 far 0 51 0 - 7.7-10.3 HB2 ARG 71 - HA GLU 25 far 0 43 0 - 7.7-12.7 HB2 GLN 91 - HA ARG 71 far 0 77 0 - 8.1-51.9 HB2 ARG 27 - HA ARG 71 far 0 51 0 - 8.4-13.2 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 8.9-11.9 HB3 ARG 27 - HA ARG 71 far 0 53 0 - 9.0-13.0 HB2 GLU 19 - HA ARG 71 far 0 49 0 - 9.1-24.7 HB3 PRO 14 - HA ARG 71 far 0 88 0 - 9.6-36.6 HB2 MET 11 - HA ARG 26 far 0 100 0 - 9.7-33.9 HB3 PRO 14 - HA GLU 25 far 0 77 0 - 9.8-25.5 HB3 GLU 87 - HA ARG 26 far 0 65 0 - 9.9-49.1 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 29 assignments used, quality = 1.00: * HG2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.3-3.9 3.7=88, 1.8/1363=36...(39) HG2 ARG 71 + HA ARG 71 OK 90 90 100 100 2.1-4.1 3.8=79, 3.0/2937=45...(52) HG3 ARG 70 + HA ARG 71 OK 56 86 70 93 3.1-6.6 ~307=29, 2873/4.7=28...(20) HG2 ARG 27 - HA GLU 25 far 7 74 10 - 4.2-8.2 HG3 ARG 27 - HA GLU 25 far 7 73 10 - 4.2-7.8 HB2 LEU 86 - HA ARG 26 far 5 99 5 - 4.7-47.4 HG LEU 86 - HA ARG 26 far 4 76 5 - 4.4-49.5 HG LEU 86 - HA GLU 25 far 3 53 5 - 4.7-44.8 HG2 ARG 26 - HA GLU 25 far 0 79 0 - 5.1-6.9 HG3 ARG 27 - HA ARG 26 far 0 97 0 - 5.3-7.4 HG2 ARG 27 - HA ARG 26 far 0 97 0 - 5.4-7.9 HD3 LYS 73 - HA ARG 71 far 0 84 0 - 6.2-9.7 HB2 LEU 86 - HA GLU 25 far 0 76 0 - 7.1-42.7 HD2 LYS 73 - HA ARG 71 far 0 84 0 - 7.4-9.8 HG3 ARG 17 - HA ARG 26 far 0 100 0 - 8.0-22.9 HG3 ARG 27 - HA ARG 71 far 0 84 0 - 8.2-14.3 HG2 ARG 84 - HA ARG 26 far 0 63 0 - 8.4-41.7 HG3 ARG 84 - HA ARG 26 far 0 63 0 - 8.7-42.3 HG2 ARG 17 - HA ARG 26 far 0 100 0 - 9.0-23.1 HG3 ARG 84 - HA ARG 71 far 0 51 0 - 9.0-32.4 HG2 ARG 84 - HA ARG 71 far 0 51 0 - 9.0-31.4 HG2 ARG 71 - HA GLU 25 far 0 79 0 - 9.2-14.7 HG2 ARG 17 - HA GLU 25 far 0 78 0 - 9.4-19.4 HG3 ARG 17 - HA GLU 25 far 0 79 0 - 9.4-19.4 HG2 ARG 17 - HA ARG 71 far 0 90 0 - 9.5-29.2 HB2 LEU 86 - HA ARG 71 far 0 88 0 - 9.5-38.4 HG2 ARG 27 - HA ARG 71 far 0 85 0 - 9.5-14.3 HG3 ARG 84 - HA GLU 25 far 0 43 0 - 9.7-37.6 HD3 LYS 32 - HA ARG 26 far 0 98 0 - 9.9-13.5 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 15 assignments used, quality = 1.00: * HG3 ARG 26 + HA ARG 26 OK 99 100 100 99 2.1-4.2 3.7=99 HG3 ARG 71 + HA ARG 71 OK 90 90 100 100 2.9-4.2 3.8=89, 779/2.9=59...(51) HB3 LYS 73 - HA ARG 71 poor 10 49 20 - 4.4-7.6 HG3 ARG 26 - HA GLU 25 far 4 79 5 - 5.1-6.5 HB2 ARG 84 - HA ARG 26 far 0 78 0 - 6.0-42.1 HB ILE 33 - HA GLU 25 far 0 59 0 - 6.7-7.9 HB3 ARG 17 - HA GLU 25 far 0 78 0 - 7.0-17.1 HB2 ARG 84 - HA GLU 25 far 0 55 0 - 7.4-37.4 HG3 ARG 71 - HA GLU 25 far 0 78 0 - 7.8-14.5 HB ILE 33 - HA ARG 26 far 0 83 0 - 7.9-9.5 HB3 ARG 17 - HA ARG 26 far 0 100 0 - 8.2-20.6 HB3 ARG 17 - HA ARG 71 far 0 89 0 - 8.2-27.5 HB3 LYS 85 - HA ARG 26 far 0 68 0 - 8.4-43.2 HB3 LYS 85 - HA GLU 25 far 0 47 0 - 9.0-39.5 HB3 LYS 32 - HA ARG 26 far 0 71 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 3 out of 29 assignments used, quality = 1.00: * HD2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.3-5.5 4.8=97, 3.0/1363=44...(58) HD3 ARG 26 + HA ARG 26 OK 100 100 100 100 3.3-5.5 4.8=97, 3.0/1363=44...(58) HD3 ARG 71 + HA ARG 71 OK 56 56 100 100 2.0-5.0 4.7=100 HD2 ARG 27 - HA GLU 25 far 8 78 10 - 5.4-9.1 HD3 ARG 27 - HA ARG 26 far 5 100 5 - 6.2-9.1 HD3 ARG 84 - HA ARG 26 far 0 71 0 - 6.4-43.6 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 6.5-8.6 HD3 ARG 27 - HA GLU 25 far 0 78 0 - 6.5-9.1 HD2 ARG 27 - HA ARG 26 far 0 100 0 - 6.8-8.4 HD3 ARG 71 - HA GLU 25 far 0 47 0 - 6.9-16.2 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 7.0-8.3 HD2 ARG 23 - HA ARG 26 far 0 98 0 - 7.1-11.0 HD3 ARG 23 - HA ARG 26 far 0 98 0 - 7.3-11.1 HD3 ARG 23 - HA ARG 71 far 0 86 0 - 7.4-16.0 HD3 ARG 17 - HA ARG 26 far 0 93 0 - 7.9-22.7 HD2 ARG 84 - HA ARG 26 far 0 65 0 - 8.1-44.0 HD2 ARG 17 - HA ARG 26 far 0 93 0 - 8.1-22.8 HD3 ARG 23 - HA GLU 25 far 0 75 0 - 8.2-10.8 HD2 ARG 27 - HA ARG 71 far 0 89 0 - 8.3-14.4 HD3 ARG 84 - HA GLU 25 far 0 49 0 - 8.4-38.9 HD3 ARG 17 - HA GLU 25 far 0 69 0 - 8.7-18.9 HD3 ARG 17 - HA ARG 71 far 0 80 0 - 8.9-29.5 HD2 ARG 23 - HA GLU 25 far 0 75 0 - 9.0-10.8 HD2 ARG 23 - HA ARG 71 far 0 86 0 - 9.2-16.5 HD3 ARG 71 - HA ARG 26 far 0 68 0 - 9.2-19.3 HD3 ARG 27 - HA ARG 71 far 0 89 0 - 9.3-15.0 HD3 ARG 84 - HA ARG 71 far 0 58 0 - 9.5-33.1 HD3 ARG 66 - HA ARG 71 far 0 81 0 - 9.8-13.5 HD2 ARG 17 - HA ARG 71 far 0 80 0 - 9.9-30.8 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 30 assignments used, quality = 1.00: HD2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.3-5.5 4.8=97, 3.0/1363=44...(58) * HD3 ARG 26 + HA ARG 26 OK 100 100 100 100 3.3-5.5 4.8=97, 3.0/1363=44...(58) HD3 ARG 71 + HA ARG 71 OK 58 58 100 100 2.0-5.0 4.7=100 HD3 ARG 70 + HA ARG 71 OK 33 49 70 98 5.2-7.9 ~307=40, 3.0/5395=33...(23) HD2 ARG 27 - HA GLU 25 far 8 77 10 - 5.4-9.1 HD3 ARG 27 - HA ARG 26 far 5 99 5 - 6.2-9.1 HD3 ARG 84 - HA ARG 26 far 0 68 0 - 6.4-43.6 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 6.5-8.6 HD3 ARG 27 - HA GLU 25 far 0 77 0 - 6.5-9.1 HD2 ARG 27 - HA ARG 26 far 0 99 0 - 6.8-8.4 HD3 ARG 71 - HA GLU 25 far 0 49 0 - 6.9-16.2 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 7.0-8.3 HD2 ARG 23 - HA ARG 26 far 0 97 0 - 7.1-11.0 HD3 ARG 23 - HA ARG 26 far 0 97 0 - 7.3-11.1 HD3 ARG 23 - HA ARG 71 far 0 85 0 - 7.4-16.0 HD3 ARG 17 - HA ARG 26 far 0 92 0 - 7.9-22.7 HD2 ARG 84 - HA ARG 26 far 0 63 0 - 8.1-44.0 HD2 ARG 17 - HA ARG 26 far 0 92 0 - 8.1-22.8 HD3 ARG 23 - HA GLU 25 far 0 74 0 - 8.2-10.8 HD2 ARG 27 - HA ARG 71 far 0 88 0 - 8.3-14.4 HD3 ARG 84 - HA GLU 25 far 0 47 0 - 8.4-38.9 HD3 ARG 17 - HA GLU 25 far 0 67 0 - 8.7-18.9 HD3 ARG 17 - HA ARG 71 far 0 78 0 - 8.9-29.5 HD2 ARG 23 - HA GLU 25 far 0 74 0 - 9.0-10.8 HD2 ARG 23 - HA ARG 71 far 0 85 0 - 9.2-16.5 HD3 ARG 71 - HA ARG 26 far 0 71 0 - 9.2-19.3 HD3 ARG 27 - HA ARG 71 far 0 88 0 - 9.3-15.0 HD3 ARG 84 - HA ARG 71 far 0 56 0 - 9.5-33.1 HD3 ARG 66 - HA ARG 71 far 0 83 0 - 9.8-13.5 HD2 ARG 17 - HA ARG 71 far 0 78 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 6 out of 22 assignments used, quality = 1.00: * H ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-3.6 3.9=72, 530/3.0=44...(23) H ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.6-3.6 3.9=72, 530/3.0=44...(22) H THR 88 + HB3 GLU 87 OK 39 46 100 85 2.2-4.4 402/3.0=53, 4.6=43...(7) H ARG 71 + HB3 ARG 71 OK 30 31 100 97 2.5-3.6 4.0=68, 779/2.8=40...(14) H ARG 26 + HB2 ARG 27 OK 29 54 75 72 4.4-6.4 5380/4.1=44, 5345/3.0=28...(7) H ARG 71 + HB2 ARG 71 OK 29 30 100 97 2.1-3.6 4.0=68, 779/2.8=40...(18) H ASN 74 - HB3 ARG 71 far 4 37 10 - 4.6-9.0 H LYS 85 - HB3 GLU 87 far 3 25 10 - 4.4-10.0 H ASN 74 - HB2 ARG 71 far 0 35 0 - 5.0-8.9 H ARG 26 - HB3 ARG 27 far 0 56 0 - 5.3-6.4 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.2-9.1 H ALA 78 - HB2 ARG 66 far 0 87 0 - 7.0-24.1 H ARG 26 - HB3 ARG 71 far 0 54 0 - 8.3-14.9 H ARG 71 - HB2 ARG 27 far 0 32 0 - 8.5-12.5 H LYS 85 - HB2 ARG 26 far 0 68 0 - 8.5-45.0 H LYS 85 - HB3 ARG 26 far 0 68 0 - 8.6-44.0 H ARG 71 - HB3 ARG 27 far 0 33 0 - 8.6-11.8 H ALA 78 - HB3 ARG 71 far 0 42 0 - 8.8-19.2 H ALA 78 - HB2 ARG 71 far 0 40 0 - 8.9-19.6 H ASN 74 - HB2 ARG 66 far 0 79 0 - 9.0-13.4 H THR 88 - HB3 ARG 26 far 0 100 0 - 9.3-50.3 H ARG 26 - HB2 ARG 71 far 0 51 0 - 9.5-14.1 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 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.4-2.7 3.0=100 HA ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.4-2.8 3.0=100 HA ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.4-3.0 3.0=100 HA GLU 25 - HB2 ARG 27 poor 12 38 30 - 4.4-6.7 HA ALA 63 - HB2 ARG 66 far 10 98 10 - 4.4-5.8 HA GLU 25 - HB3 ARG 27 far 2 40 5 - 4.8-6.6 HA ARG 26 - HB2 ARG 27 far 0 54 0 - 5.5-6.6 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.5-6.6 HA ARG 26 - HB3 ARG 27 far 0 56 0 - 5.9-6.6 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 6.0-6.6 HA GLU 25 - HB3 ARG 71 far 0 38 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 71 far 0 36 0 - 7.7-12.7 HA ARG 71 - HB2 ARG 27 far 0 52 0 - 8.4-13.2 HA VAL 90 - HB3 GLU 87 far 0 44 0 - 8.5-11.5 HA ALA 63 - HB3 ARG 27 far 0 54 0 - 8.7-12.3 HA ALA 63 - HB2 ARG 71 far 0 49 0 - 8.8-12.1 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 8.9-11.9 HA ARG 71 - HB3 ARG 27 far 0 54 0 - 9.0-13.0 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 9.1-12.0 HA ARG 26 - HB3 GLU 87 far 0 46 0 - 9.9-49.1 HA ALA 63 - HB3 ARG 71 far 0 51 0 - 9.9-13.4 HA ALA 63 - HB2 ARG 27 far 0 52 0 - 10.0-12.6 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 59 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 2.3-3.0 3.0=100 HG2 ARG 71 + HB3 ARG 71 OK 53 53 100 100 2.2-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 52 52 100 100 2.3-3.0 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 51 51 100 100 2.5-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HG3 ARG 70 - HB2 ARG 71 poor 17 48 35 - 3.8-7.4 HG3 ARG 70 - HB2 ARG 66 far 15 97 15 - 3.3-10.3 HG3 ARG 70 - HB3 ARG 71 poor 10 50 20 - 3.7-8.3 HG2 ARG 27 - HB3 ARG 26 far 10 97 10 - 4.5-7.9 HG3 ARG 27 - HB2 ARG 26 far 10 97 10 - 4.0-7.2 HG2 ARG 27 - HB2 ARG 26 poor 8 97 35 25 3.9-7.2 3.8/5344=11, 64/4.6=9...(5) HG3 ARG 27 - HB3 ARG 26 far 5 97 5 - 4.6-7.2 HG LEU 86 - HB3 GLU 87 far 3 29 10 - 4.4-8.5 HG2 ARG 26 - HB3 ARG 27 far 3 56 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 3 54 5 - 3.7-8.1 HB2 LEU 86 - HB3 GLU 87 far 2 44 5 - 4.7-7.8 HG3 ARG 84 - HB3 GLU 87 far 0 23 0 - 5.6-13.6 HG3 ARG 27 - HB3 ARG 71 far 0 48 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 100 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 46 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 54 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 99 0 - 6.8-48.2 HG2 ARG 84 - HB3 GLU 87 far 0 23 0 - 6.9-14.7 HG LEU 86 - HB3 ARG 26 far 0 76 0 - 7.0-50.3 HG LEU 86 - HB2 ARG 26 far 0 76 0 - 7.1-51.2 HG2 ARG 71 - HB3 ARG 27 far 0 56 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 46 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 49 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 47 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 99 0 - 7.7-49.2 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.0-11.1 HG LEU 86 - HB2 ARG 27 far 0 34 0 - 8.0-48.6 HG3 ARG 84 - HB2 ARG 26 far 0 63 0 - 8.3-43.7 HG2 ARG 84 - HB2 ARG 26 far 0 63 0 - 8.5-43.1 HG LEU 86 - HB3 ARG 27 far 0 36 0 - 8.6-49.0 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 8.8-11.2 HG2 ARG 84 - HB3 ARG 26 far 0 63 0 - 8.9-42.1 HB3 LEU 51 - HB2 ARG 66 far 0 77 0 - 8.9-13.2 HD2 LYS 73 - HB2 ARG 71 far 0 46 0 - 8.9-10.8 HG3 ARG 84 - HB3 ARG 26 far 0 63 0 - 9.0-42.6 HB2 LEU 86 - HB2 ARG 27 far 0 52 0 - 9.0-46.8 HG3 ARG 84 - HB2 ARG 66 far 0 62 0 - 9.1-36.4 HB2 LEU 86 - HB2 ARG 66 far 0 98 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 54 0 - 9.3-47.1 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 96 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 51 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 96 0 - 9.4-15.2 HG2 ARG 26 - HB3 GLU 87 far 0 46 0 - 9.5-49.0 HG2 ARG 84 - HB2 ARG 66 far 0 62 0 - 9.5-35.2 HB2 LEU 86 - HB2 ARG 71 far 0 49 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 54 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 9.9-16.6 HG3 ARG 84 - HB2 ARG 71 far 0 26 0 - 9.9-33.8 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 29 assignments used, quality = 1.00: * HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 53 53 100 100 2.3-3.0 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.2-2.8 2.8=100 HG3 ARG 26 - HB3 ARG 27 far 3 56 5 - 4.4-8.2 HG3 ARG 26 - HB2 ARG 27 far 3 54 5 - 4.4-8.2 HB3 LYS 85 - HB3 GLU 87 far 0 25 0 - 5.8-9.7 HB2 ARG 84 - HB3 GLU 87 far 0 30 0 - 5.9-13.0 HB3 LYS 73 - HB2 ARG 71 far 0 24 0 - 6.0-8.7 HB3 ARG 82 - HB2 ARG 66 far 0 87 0 - 6.1-31.5 HB3 LYS 73 - HB3 ARG 71 far 0 26 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 54 0 - 6.4-11.8 HB2 ARG 84 - HB2 ARG 26 far 0 78 0 - 6.4-43.7 HG3 ARG 71 - HB3 ARG 27 far 0 56 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 26 far 0 78 0 - 6.8-42.6 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 6.9-10.5 HB2 LEU 62 - HB2 ARG 66 far 0 100 0 - 7.1-9.4 HB ILE 33 - HB3 ARG 27 far 0 40 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 38 0 - 7.7-9.6 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.5-20.8 HB3 ARG 17 - HB3 ARG 71 far 0 52 0 - 8.6-25.7 HB3 LYS 73 - HB2 ARG 66 far 0 59 0 - 8.8-11.6 HB2 LEU 57 - HB2 ARG 66 far 0 86 0 - 9.0-11.6 HB2 LYS 32 - HB3 ARG 27 far 0 33 0 - 9.6-12.2 HB ILE 33 - HB3 ARG 26 far 0 83 0 - 9.7-11.7 HG3 ARG 26 - HB3 ARG 71 far 0 54 0 - 9.8-16.8 HB3 LYS 85 - HB3 ARG 71 far 0 30 0 - 9.8-33.4 HB ILE 33 - HB2 ARG 26 far 0 83 0 - 9.8-11.4 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.9-19.1 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 58 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.2 3.5=91, 532/3.9=13...(59) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.7 3.5=91, 532/3.9=13...(58) * HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-3.8 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-4.2 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 92 93 100 99 2.1-3.8 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 90 91 100 99 2.0-4.0 3.4=92, ~2701=21...(20) HD2 ARG 27 + HB3 ARG 27 OK 55 55 100 99 2.1-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 55 55 100 99 2.0-3.8 3.5=85, 1421/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 53 53 100 99 2.3-4.0 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 53 53 100 99 2.2-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 71 + HB3 ARG 71 OK 29 30 100 99 2.1-4.1 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 28 28 100 99 2.5-3.9 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 far 10 100 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 10 98 10 - 4.3-9.9 HD3 ARG 23 - HB2 ARG 26 far 10 98 10 - 4.5-10.1 HD3 ARG 27 - HB3 ARG 26 far 5 100 5 - 4.8-8.7 HD2 ARG 82 - HB2 ARG 66 far 3 67 5 - 3.3-31.8 HD2 ARG 26 - HB3 ARG 27 far 3 56 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 27 far 3 54 5 - 3.5-8.5 HD3 ARG 26 - HB2 ARG 27 far 3 54 5 - 4.1-8.9 HD3 ARG 71 - HB3 ARG 27 far 2 32 5 - 4.6-13.7 HD3 ARG 71 - HB2 ARG 27 far 2 30 5 - 4.0-14.1 HD2 ARG 84 - HB3 GLU 87 far 1 24 5 - 4.5-14.7 HD2 ARG 23 - HB2 ARG 27 far 0 51 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 4.9-9.8 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 100 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 51 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 53 0 - 5.5-11.3 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.7-9.7 HD3 ARG 84 - HB2 ARG 26 far 0 71 0 - 5.8-45.0 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 5.9-15.2 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 71 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 53 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 65 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 69 0 - 7.4-37.1 HD3 ARG 71 - HB2 ARG 66 far 0 67 0 - 7.6-12.3 HD2 ARG 84 - HB3 ARG 26 far 0 65 0 - 7.8-44.4 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 48 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 44 0 - 8.6-12.8 HD2 ARG 84 - HB2 ARG 66 far 0 64 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 48 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 93 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 42 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 68 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 93 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 28 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 47 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 45 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 30 0 - 9.9-34.6 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 63 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.2 3.5=91, 532/3.9=13...(59) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.7 3.5=91, 532/3.9=13...(58) * HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-4.2 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-3.8 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 94 95 100 99 2.1-3.8 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 91 92 100 99 2.0-4.0 3.4=92, ~2701=21...(20) HD2 ARG 27 + HB3 ARG 27 OK 54 55 100 99 2.1-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 54 55 100 99 2.0-3.8 3.5=85, 1421/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 52 52 100 99 2.3-4.0 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 52 52 100 99 2.2-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 71 + HB3 ARG 71 OK 31 31 100 99 2.1-4.1 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 29 30 100 99 2.5-3.9 3.5=86, ~2937=25...(44) HD3 ARG 70 - HB2 ARG 66 poor 15 59 25 - 3.4-9.7 HD3 ARG 27 - HB2 ARG 26 far 10 99 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 10 97 10 - 4.3-9.9 HD3 ARG 23 - HB2 ARG 26 far 10 97 10 - 4.5-10.1 HD3 ARG 27 - HB3 ARG 26 far 5 99 5 - 4.8-8.7 HD2 ARG 82 - HB2 ARG 66 far 3 64 5 - 3.3-31.8 HD2 ARG 26 - HB3 ARG 27 far 3 56 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 27 far 3 54 5 - 3.5-8.5 HD3 ARG 26 - HB2 ARG 27 far 3 54 5 - 4.1-8.9 HD3 ARG 71 - HB3 ARG 27 far 2 33 5 - 4.6-13.7 HD3 ARG 71 - HB2 ARG 27 far 2 32 5 - 4.0-14.1 HD2 ARG 84 - HB3 GLU 87 far 1 23 5 - 4.5-14.7 HD2 ARG 23 - HB2 ARG 27 far 0 50 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 4.9-9.8 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.2-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 26 0 - 5.2-9.5 HD2 ARG 27 - HB2 ARG 26 far 0 99 0 - 5.3-8.0 HD3 ARG 70 - HB2 ARG 71 far 0 24 0 - 5.3-8.7 HD3 ARG 23 - HB2 ARG 27 far 0 50 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 52 0 - 5.5-11.3 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.7-9.7 HD3 ARG 84 - HB2 ARG 26 far 0 68 0 - 5.8-45.0 HD3 ARG 84 - HB3 GLU 87 far 0 25 0 - 5.9-15.2 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 68 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 52 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 49 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 63 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 67 0 - 7.4-37.1 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 7.6-12.3 HD2 ARG 84 - HB3 ARG 26 far 0 63 0 - 7.8-44.4 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 49 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 47 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 45 0 - 8.6-12.8 HD2 ARG 84 - HB2 ARG 66 far 0 62 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 47 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 92 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 43 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 71 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 92 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 27 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 48 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 26 0 - 9.7-16.6 HD3 ARG 70 - HB3 ARG 27 far 0 27 0 - 9.9-15.7 HD3 ARG 17 - HB3 ARG 71 far 0 44 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 28 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 6 out of 24 assignments used, quality = 1.00: H ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-3.6 3.9=72, 530/3.0=44...(23) * H ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.6-3.6 3.9=72, 530/3.0=44...(22) H THR 88 + HB3 GLU 87 OK 41 48 100 85 2.2-4.4 402/3.0=53, 4.6=43...(7) 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 26 + HB2 ARG 27 OK 28 52 75 72 4.4-6.4 5380/4.1=44, 5345/3.0=28...(7) H ARG 71 + HB2 ARG 71 OK 27 28 100 97 2.1-3.6 4.0=68, 779/2.8=40...(17) H ASN 74 - HB3 ARG 71 far 4 35 10 - 4.6-9.0 H LYS 85 - HB3 GLU 87 far 3 27 10 - 4.4-10.0 H ASN 74 - HB2 ARG 71 far 0 33 0 - 5.0-8.9 H ARG 26 - HB3 ARG 27 far 0 54 0 - 5.3-6.4 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.2-9.1 H ARG 26 - HB2 GLU 19 far 0 59 0 - 7.0-14.0 H ALA 78 - HB2 ARG 66 far 0 87 0 - 7.0-24.1 H ARG 26 - HB3 ARG 71 far 0 51 0 - 8.3-14.9 H ARG 71 - HB2 ARG 27 far 0 30 0 - 8.5-12.5 H LYS 85 - HB2 ARG 26 far 0 68 0 - 8.5-45.0 H LYS 85 - HB3 ARG 26 far 0 68 0 - 8.6-44.0 H ARG 71 - HB3 ARG 27 far 0 32 0 - 8.6-11.8 H ALA 78 - HB3 ARG 71 far 0 40 0 - 8.8-19.2 H ALA 78 - HB2 ARG 71 far 0 38 0 - 8.9-19.6 H ASN 74 - HB2 ARG 66 far 0 79 0 - 9.0-13.4 H ASN 74 - HB2 GLU 19 far 0 41 0 - 9.1-26.5 H THR 88 - HB3 ARG 26 far 0 100 0 - 9.3-50.3 H ARG 26 - HB2 ARG 71 far 0 49 0 - 9.5-14.1 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 26 assignments used, quality = 1.00: * HA ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.4-2.7 3.0=100 HA ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 49 49 100 100 2.4-2.8 3.0=100 HA ARG 71 + HB2 ARG 71 OK 47 47 100 100 2.4-3.0 3.0=100 HA GLU 25 - HB2 ARG 27 poor 11 37 30 - 4.4-6.7 HA ALA 63 - HB2 ARG 66 far 10 98 10 - 4.4-5.8 HA GLU 25 - HB3 ARG 27 far 2 38 5 - 4.8-6.6 HA ARG 26 - HB2 ARG 27 far 0 52 0 - 5.5-6.6 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.5-6.6 HA ARG 26 - HB3 ARG 27 far 0 54 0 - 5.9-6.6 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 6.0-6.6 HA GLU 25 - HB2 GLU 19 far 0 42 0 - 6.3-15.2 HA ARG 26 - HB2 GLU 19 far 0 59 0 - 6.6-16.7 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 7.7-12.7 HA ARG 71 - HB2 ARG 27 far 0 50 0 - 8.4-13.2 HA VAL 90 - HB3 GLU 87 far 0 46 0 - 8.5-11.5 HA ALA 63 - HB3 ARG 27 far 0 52 0 - 8.7-12.3 HA ALA 63 - HB2 ARG 71 far 0 47 0 - 8.8-12.1 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 8.9-11.9 HA ARG 71 - HB3 ARG 27 far 0 52 0 - 9.0-13.0 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 9.1-12.0 HA ARG 71 - HB2 GLU 19 far 0 57 0 - 9.1-24.7 HA ARG 26 - HB3 GLU 87 far 0 48 0 - 9.9-49.1 HA ALA 63 - HB3 ARG 71 far 0 49 0 - 9.9-13.4 HA ALA 63 - HB2 ARG 27 far 0 50 0 - 10.0-12.6 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 65 assignments used, quality = 1.00: * HG2 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.2-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 50 50 100 100 2.3-3.0 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 49 49 100 100 2.5-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HG3 ARG 70 - HB2 ARG 71 poor 16 46 35 - 3.8-7.4 HG3 ARG 70 - HB2 ARG 66 far 15 97 15 - 3.3-10.3 HG2 ARG 27 - HB3 ARG 26 far 10 97 10 - 4.5-7.9 HG3 ARG 27 - HB2 ARG 26 far 10 97 10 - 4.0-7.2 HG3 ARG 70 - HB3 ARG 71 poor 10 48 20 - 3.7-8.3 HG2 ARG 27 - HB2 ARG 26 poor 8 97 35 25 3.9-7.2 3.8/5344=11, 64/4.6=9...(5) HG3 ARG 27 - HB3 ARG 26 far 5 97 5 - 4.6-7.2 HG LEU 86 - HB3 GLU 87 far 3 30 10 - 4.4-8.5 HG2 ARG 26 - HB3 ARG 27 far 3 54 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 3 52 5 - 3.7-8.1 HB2 LEU 86 - HB3 GLU 87 far 2 46 5 - 4.7-7.8 HG2 ARG 26 - HB2 GLU 19 far 0 59 0 - 5.2-17.4 HG3 ARG 17 - HB2 GLU 19 far 0 59 0 - 5.3-11.4 HG2 ARG 17 - HB2 GLU 19 far 0 59 0 - 5.6-11.2 HG3 ARG 84 - HB3 GLU 87 far 0 24 0 - 5.6-13.6 HG3 ARG 27 - HB3 ARG 71 far 0 46 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 99 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 99 0 - 6.8-48.2 HG2 ARG 84 - HB3 GLU 87 far 0 24 0 - 6.9-14.7 HG LEU 86 - HB3 ARG 26 far 0 76 0 - 7.0-50.3 HD3 LYS 32 - HB2 GLU 19 far 0 55 0 - 7.0-25.5 HG LEU 86 - HB2 ARG 26 far 0 76 0 - 7.1-51.2 HG2 ARG 71 - HB3 ARG 27 far 0 54 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 44 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 99 0 - 7.7-49.2 HD3 LYS 73 - HB3 ARG 71 far 0 46 0 - 8.0-11.1 HG LEU 86 - HB2 ARG 27 far 0 33 0 - 8.0-48.6 HG3 ARG 84 - HB2 ARG 26 far 0 63 0 - 8.3-43.7 HG2 ARG 71 - HB2 GLU 19 far 0 59 0 - 8.4-24.8 HD2 LYS 32 - HB2 GLU 19 far 0 54 0 - 8.4-25.8 HG2 ARG 84 - HB2 ARG 26 far 0 63 0 - 8.5-43.1 HG LEU 86 - HB3 ARG 27 far 0 34 0 - 8.6-49.0 HD2 LYS 73 - HB3 ARG 71 far 0 46 0 - 8.8-11.2 HG2 ARG 84 - HB3 ARG 26 far 0 63 0 - 8.9-42.1 HB3 LEU 51 - HB2 ARG 66 far 0 76 0 - 8.9-13.2 HD2 LYS 73 - HB2 ARG 71 far 0 44 0 - 8.9-10.8 HG3 ARG 84 - HB3 ARG 26 far 0 63 0 - 9.0-42.6 HB2 LEU 86 - HB2 ARG 27 far 0 50 0 - 9.0-46.8 HG3 ARG 84 - HB2 ARG 66 far 0 61 0 - 9.1-36.4 HB2 LEU 86 - HB2 ARG 66 far 0 98 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 52 0 - 9.3-47.1 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 95 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 48 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 95 0 - 9.4-15.2 HG2 ARG 26 - HB3 GLU 87 far 0 48 0 - 9.5-49.0 HG2 ARG 84 - HB2 ARG 66 far 0 61 0 - 9.5-35.2 HB2 LEU 86 - HB2 ARG 71 far 0 47 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 51 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 9.9-16.6 HG3 ARG 84 - HB2 ARG 71 far 0 24 0 - 9.9-33.8 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 35 assignments used, quality = 1.00: * HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.3-3.0 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.2-2.8 2.8=100 HB3 ARG 17 - HB2 GLU 19 far 3 58 5 - 3.9-10.5 HG3 ARG 26 - HB3 ARG 27 far 3 54 5 - 4.4-8.2 HG3 ARG 26 - HB2 ARG 27 far 3 52 5 - 4.4-8.2 HG3 ARG 26 - HB2 GLU 19 far 0 59 0 - 5.2-16.0 HB3 LYS 85 - HB3 GLU 87 far 0 27 0 - 5.8-9.7 HB2 ARG 84 - HB3 GLU 87 far 0 32 0 - 5.9-13.0 HB3 LYS 73 - HB2 ARG 71 far 0 23 0 - 6.0-8.7 HB3 ARG 82 - HB2 ARG 66 far 0 87 0 - 6.1-31.5 HB3 LYS 73 - HB3 ARG 71 far 0 24 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 51 0 - 6.4-11.8 HB2 ARG 84 - HB2 ARG 26 far 0 78 0 - 6.4-43.7 HG3 ARG 71 - HB3 ARG 27 far 0 54 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 26 far 0 78 0 - 6.8-42.6 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 6.9-10.5 HB2 LEU 62 - HB2 ARG 66 far 0 99 0 - 7.1-9.4 HB ILE 33 - HB3 ARG 27 far 0 38 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 37 0 - 7.7-9.6 HB ILE 33 - HB2 GLU 19 far 0 42 0 - 8.1-20.2 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.5-20.8 HB3 ARG 17 - HB3 ARG 71 far 0 50 0 - 8.6-25.7 HB3 LYS 73 - HB2 ARG 66 far 0 58 0 - 8.8-11.6 HB2 LEU 57 - HB2 ARG 66 far 0 85 0 - 9.0-11.6 HB3 LYS 32 - HB2 GLU 19 far 0 35 0 - 9.0-25.1 HB2 LYS 32 - HB2 GLU 19 far 0 35 0 - 9.1-24.0 HB2 LYS 32 - HB3 ARG 27 far 0 32 0 - 9.6-12.2 HG3 ARG 71 - HB2 GLU 19 far 0 59 0 - 9.6-24.9 HB ILE 33 - HB3 ARG 26 far 0 83 0 - 9.7-11.7 HG3 ARG 26 - HB3 ARG 71 far 0 51 0 - 9.8-16.8 HB3 LYS 85 - HB3 ARG 71 far 0 28 0 - 9.8-33.4 HB ILE 33 - HB2 ARG 26 far 0 83 0 - 9.8-11.4 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.9-19.1 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 65 assignments used, quality = 1.00: * HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.2 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.7 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-3.8 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-4.2 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 92 93 100 99 2.1-3.8 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 89 90 100 99 2.0-4.0 3.4=92, ~2701=21...(20) HD2 ARG 27 + HB3 ARG 27 OK 53 53 100 99 2.1-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 53 53 100 99 2.0-3.8 3.5=85, 1421/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 50 51 100 99 2.3-4.0 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 50 51 100 99 2.2-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 71 + HB3 ARG 71 OK 28 28 100 99 2.1-4.1 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 27 27 100 99 2.5-3.9 3.5=86, ~2937=25...(44) HD3 ARG 27 - HB2 ARG 26 far 10 100 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 10 98 10 - 4.3-9.9 HD3 ARG 23 - HB2 ARG 26 far 10 98 10 - 4.5-10.1 HD3 ARG 27 - HB3 ARG 26 far 5 100 5 - 4.8-8.7 HD2 ARG 82 - HB2 ARG 66 far 3 66 5 - 3.3-31.8 HD3 ARG 26 - HB2 GLU 19 far 3 59 5 - 4.0-16.0 HD2 ARG 26 - HB3 ARG 27 far 3 54 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 27 far 3 52 5 - 3.5-8.5 HD3 ARG 26 - HB2 ARG 27 far 3 52 5 - 4.1-8.9 HD3 ARG 17 - HB2 GLU 19 far 3 50 5 - 3.5-12.8 HD3 ARG 71 - HB3 ARG 27 far 2 30 5 - 4.6-13.7 HD3 ARG 71 - HB2 ARG 27 far 1 29 5 - 4.0-14.1 HD2 ARG 84 - HB3 GLU 87 far 1 25 5 - 4.5-14.7 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 4.9-9.8 HD2 ARG 17 - HB2 GLU 19 far 0 50 0 - 5.0-13.3 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 100 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 51 0 - 5.5-11.3 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.7-11.6 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 5.7-15.7 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.7-9.7 HD3 ARG 84 - HB2 ARG 26 far 0 71 0 - 5.8-45.0 HD3 ARG 84 - HB3 GLU 87 far 0 28 0 - 5.9-15.2 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 71 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 51 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 48 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 65 0 - 7.3-45.5 HD2 ARG 23 - HB2 GLU 19 far 0 55 0 - 7.3-17.7 HD3 ARG 84 - HB2 ARG 66 far 0 69 0 - 7.4-37.1 HD3 ARG 71 - HB2 ARG 66 far 0 66 0 - 7.6-12.3 HD2 ARG 84 - HB3 ARG 26 far 0 65 0 - 7.8-44.4 HD3 ARG 23 - HB2 GLU 19 far 0 55 0 - 7.8-18.1 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 48 0 - 7.9-14.1 HD3 ARG 71 - HB2 GLU 19 far 0 33 0 - 8.0-25.5 HD3 ARG 23 - HB2 ARG 71 far 0 46 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 42 0 - 8.6-12.8 HD2 ARG 84 - HB2 ARG 66 far 0 64 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 46 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 93 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 40 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 68 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 93 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 27 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 44 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 43 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 28 0 - 9.9-34.6 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 70 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.1-4.2 3.5=91, 532/3.9=13...(58) * HD3 ARG 26 + HB3 ARG 26 OK 99 100 100 99 2.0-3.7 3.5=91, 532/3.9=13...(58) HD3 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.2-4.2 3.5=91, 532/3.9=13...(58) HD2 ARG 26 + HB2 ARG 26 OK 99 100 100 99 2.7-3.8 3.5=91, 532/3.9=13...(58) HD3 ARG 66 + HB2 ARG 66 OK 93 94 100 99 2.1-3.8 3.4=92, ~2701=21...(20) HD2 ARG 66 + HB2 ARG 66 OK 91 92 100 99 2.0-4.0 3.4=92, ~2701=21...(20) HD2 ARG 27 + HB3 ARG 27 OK 52 52 100 99 2.1-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 52 52 100 99 2.0-3.8 3.5=85, 1421/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 50 50 100 99 2.3-4.0 3.5=85, 1421/3.0=11...(62) HD3 ARG 27 + HB2 ARG 27 OK 50 50 100 99 2.2-4.2 3.5=85, 1421/3.0=11...(62) HD3 ARG 71 + HB3 ARG 71 OK 29 30 100 99 2.1-4.1 3.5=86, ~2937=25...(44) HD3 ARG 71 + HB2 ARG 71 OK 28 28 100 99 2.5-3.9 3.5=86, ~2937=25...(44) HD3 ARG 70 - HB2 ARG 66 poor 15 58 25 - 3.4-9.7 HD3 ARG 27 - HB2 ARG 26 far 10 99 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 10 97 10 - 4.3-9.9 HD3 ARG 23 - HB2 ARG 26 far 10 97 10 - 4.5-10.1 HD3 ARG 27 - HB3 ARG 26 far 5 99 5 - 4.8-8.7 HD2 ARG 82 - HB2 ARG 66 far 3 64 5 - 3.3-31.8 HD3 ARG 26 - HB2 GLU 19 far 3 59 5 - 4.0-16.0 HD2 ARG 26 - HB3 ARG 27 far 3 54 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 27 far 3 52 5 - 3.5-8.5 HD3 ARG 26 - HB2 ARG 27 far 3 52 5 - 4.1-8.9 HD3 ARG 17 - HB2 GLU 19 far 2 49 5 - 3.5-12.8 HD3 ARG 71 - HB3 ARG 27 far 2 32 5 - 4.6-13.7 HD3 ARG 71 - HB2 ARG 27 far 1 30 5 - 4.0-14.1 HD2 ARG 84 - HB3 GLU 87 far 1 24 5 - 4.5-14.7 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 4.9-9.8 HD2 ARG 17 - HB2 GLU 19 far 0 49 0 - 5.0-13.3 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.2-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 24 0 - 5.2-9.5 HD2 ARG 27 - HB2 ARG 26 far 0 99 0 - 5.3-8.0 HD3 ARG 70 - HB2 ARG 71 far 0 23 0 - 5.3-8.7 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 50 0 - 5.5-11.3 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.7-11.6 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 5.7-15.7 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.7-9.7 HD3 ARG 84 - HB2 ARG 26 far 0 68 0 - 5.8-45.0 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 5.9-15.2 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 68 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 50 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 47 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 63 0 - 7.3-45.5 HD2 ARG 23 - HB2 GLU 19 far 0 55 0 - 7.3-17.7 HD3 ARG 84 - HB2 ARG 66 far 0 66 0 - 7.4-37.1 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 7.6-12.3 HD2 ARG 84 - HB3 ARG 26 far 0 63 0 - 7.8-44.4 HD3 ARG 23 - HB2 GLU 19 far 0 55 0 - 7.8-18.1 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 47 0 - 7.9-14.1 HD3 ARG 71 - HB2 GLU 19 far 0 35 0 - 8.0-25.5 HD3 ARG 23 - HB2 ARG 71 far 0 45 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 43 0 - 8.6-12.8 HD2 ARG 84 - HB2 ARG 66 far 0 61 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 45 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 92 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 41 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 71 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 92 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 26 0 - 9.5-29.4 HD3 ARG 66 - HB3 ARG 71 far 0 45 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 25 0 - 9.7-16.6 HD3 ARG 70 - HB3 ARG 27 far 0 26 0 - 9.9-15.7 HD3 ARG 17 - HB3 ARG 71 far 0 42 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 27 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (8.13, 1.62, 27.49 ppm; 4.48 A): 6 out of 21 assignments used, quality = 1.00: * H ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.1-3.9 1390/1.8=85, 4.9=75...(23) H ARG 26 + HG2 ARG 27 OK 37 89 50 82 3.9-7.4 5380/5.0=54, 5345/3.8=37...(7) H ARG 71 + HG3 ARG 70 OK 34 34 100 100 2.3-4.8 5.0=72, 307/1.8=62...(21) H ARG 26 + HG3 ARG 27 OK 29 88 40 81 4.0-7.3 5380/5.0=54, 5345/3.8=37...(7) H LYS 85 + HG3 ARG 84 OK 24 30 100 78 2.1-5.7 377/3.9=35, 378/3.0=26...(10) H LYS 85 + HG2 ARG 84 OK 24 30 100 78 3.6-5.5 377/3.9=35, 378/3.0=26...(10) H ASN 74 - HG3 ARG 70 poor 12 40 30 - 4.7-9.2 H ALA 78 - HG3 ARG 70 poor 9 46 20 - 4.3-18.9 H LYS 85 - HG2 ARG 26 far 0 68 0 - 6.3-43.7 H THR 88 - HG3 ARG 84 far 0 55 0 - 7.4-15.7 H THR 88 - HG2 ARG 26 far 0 100 0 - 7.9-50.0 H ARG 26 - HG3 ARG 84 far 0 55 0 - 7.9-40.2 H LYS 85 - HG3 ARG 70 far 0 33 0 - 8.2-31.4 H ARG 26 - HG2 ARG 84 far 0 55 0 - 8.2-39.6 H THR 88 - HG2 ARG 84 far 0 55 0 - 8.4-15.2 H ARG 71 - HG3 ARG 27 far 0 56 0 - 8.4-12.8 H ARG 71 - HG3 ARG 84 far 0 32 0 - 8.4-33.1 H ARG 71 - HG2 ARG 84 far 0 32 0 - 8.4-32.1 H ARG 26 - HG3 ARG 17 far 0 60 0 - 8.5-20.2 H ARG 71 - HG2 ARG 27 far 0 57 0 - 9.6-13.4 H ARG 26 - HG2 ARG 17 far 0 60 0 - 9.7-20.5 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 24 assignments used, quality = 1.00: * HA ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.9 3.7=100 HA ARG 71 + HG3 ARG 70 OK 40 56 75 96 3.1-6.6 ~307=35, 5395/1.8=30...(19) HA GLU 25 - HG3 ARG 27 far 10 67 15 - 4.2-7.8 HA GLU 25 - HG2 ARG 27 far 7 68 10 - 4.2-8.2 HA ARG 26 - HG3 ARG 27 far 4 88 5 - 5.3-7.4 HA GLU 25 - HG2 ARG 26 far 4 83 5 - 5.1-6.9 HA ARG 26 - HG2 ARG 27 far 0 89 0 - 5.4-7.9 HA ALA 63 - HG3 ARG 70 far 0 56 0 - 7.3-11.9 HA ARG 26 - HG3 ARG 17 far 0 60 0 - 8.0-22.9 HA ARG 71 - HG3 ARG 27 far 0 86 0 - 8.2-14.3 HA ALA 63 - HG2 ARG 27 far 0 87 0 - 8.3-13.3 HA ARG 26 - HG2 ARG 84 far 0 55 0 - 8.4-41.7 HA ARG 26 - HG3 ARG 84 far 0 55 0 - 8.7-42.3 HA ARG 26 - HG2 ARG 17 far 0 60 0 - 9.0-23.1 HA ALA 63 - HG2 ARG 84 far 0 52 0 - 9.0-40.2 HA ARG 71 - HG3 ARG 84 far 0 52 0 - 9.0-32.4 HA ARG 71 - HG2 ARG 84 far 0 52 0 - 9.0-31.4 HA ALA 63 - HG3 ARG 27 far 0 86 0 - 9.4-12.8 HA GLU 25 - HG2 ARG 17 far 0 43 0 - 9.4-19.4 HA GLU 25 - HG3 ARG 17 far 0 43 0 - 9.4-19.4 HA ARG 71 - HG2 ARG 17 far 0 57 0 - 9.5-29.2 HA ARG 71 - HG2 ARG 27 far 0 87 0 - 9.5-14.3 HA ALA 63 - HG3 ARG 84 far 0 52 0 - 9.7-41.4 HA GLU 25 - HG3 ARG 84 far 0 39 0 - 9.7-37.6 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.15 A): 6 out of 48 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 2.3-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 55 55 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 54 54 100 100 2.5-3.0 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 2.2-3.0 2.9=100 HB2 ARG 71 - HG3 ARG 70 poor 11 31 35 - 3.8-7.4 HB2 ARG 26 - HG3 ARG 27 far 9 88 10 - 4.0-7.2 HB2 ARG 26 - HG2 ARG 27 poor 7 89 35 23 3.9-7.2 5344/3.8=10, 4.6/64=8...(4) HB3 ARG 71 - HG3 ARG 70 poor 7 33 20 - 3.7-8.3 HB2 ARG 66 - HG3 ARG 70 far 6 58 10 - 3.3-10.3 HB3 ARG 26 - HG2 ARG 27 far 4 89 5 - 4.5-7.9 HB3 ARG 26 - HG3 ARG 27 far 4 88 5 - 4.6-7.2 HB3 ARG 27 - HG2 ARG 26 far 3 68 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 3 65 5 - 3.7-8.1 HB3 GLU 87 - HG3 ARG 84 far 0 28 0 - 5.6-13.6 HB ILE 68 - HG3 ARG 27 far 0 73 0 - 5.7-10.5 HB ILE 68 - HG3 ARG 70 far 0 46 0 - 6.0-9.8 HB3 ARG 71 - HG3 ARG 27 far 0 54 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 52 0 - 6.5-11.3 HB3 GLU 87 - HG2 ARG 84 far 0 28 0 - 6.9-14.7 HB ILE 68 - HG2 ARG 27 far 0 74 0 - 6.9-11.1 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 7.3-26.3 HB3 ARG 71 - HG2 ARG 27 far 0 55 0 - 7.5-11.9 HB3 PRO 14 - HG2 ARG 17 far 0 57 0 - 7.6-14.0 HB2 ARG 71 - HG2 ARG 27 far 0 53 0 - 7.7-12.2 HB3 PRO 14 - HG3 ARG 17 far 0 57 0 - 7.7-14.5 HB3 PRO 34 - HG3 ARG 17 far 0 58 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 35 0 - 8.0-27.1 HB3 PRO 14 - HG3 ARG 70 far 0 56 0 - 8.3-37.5 HB2 ARG 26 - HG3 ARG 84 far 0 55 0 - 8.3-43.7 HB2 LYS 39 - HG2 ARG 17 far 0 35 0 - 8.4-28.2 HB2 ARG 26 - HG2 ARG 84 far 0 55 0 - 8.5-43.1 HB3 PRO 14 - HG3 ARG 27 far 0 86 0 - 8.9-30.0 HB3 ARG 26 - HG2 ARG 84 far 0 54 0 - 8.9-42.1 HB2 MET 11 - HG2 ARG 27 far 0 88 0 - 8.9-38.6 HB3 ARG 26 - HG3 ARG 84 far 0 54 0 - 9.0-42.6 HG12 ILE 40 - HG3 ARG 27 far 0 56 0 - 9.1-13.8 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 9.1-29.9 HB2 ARG 66 - HG3 ARG 84 far 0 54 0 - 9.1-36.4 HB3 ARG 26 - HG2 ARG 17 far 0 59 0 - 9.3-23.2 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 31 0 - 9.4-16.1 HB3 GLU 87 - HG2 ARG 26 far 0 63 0 - 9.5-49.0 HB2 ARG 66 - HG2 ARG 84 far 0 54 0 - 9.5-35.2 HB3 ARG 71 - HG2 ARG 26 far 0 68 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.9-21.2 HB2 ARG 71 - HG3 ARG 84 far 0 29 0 - 9.9-33.8 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 51 assignments used, quality = 1.00: * HB3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 53 53 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 52 52 100 100 2.5-3.0 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 2.2-3.0 2.9=100 HB2 ARG 71 - HG3 ARG 70 poor 10 30 35 - 3.8-7.4 HB2 ARG 26 - HG3 ARG 27 far 9 88 10 - 4.0-7.2 HB2 ARG 26 - HG2 ARG 27 poor 7 89 35 23 3.9-7.2 5344/3.8=10, 4.6/64=8...(4) HB3 ARG 71 - HG3 ARG 70 poor 6 31 20 - 3.7-8.3 HB2 ARG 66 - HG3 ARG 70 far 6 57 10 - 3.3-10.3 HB3 ARG 26 - HG2 ARG 27 far 4 89 5 - 4.5-7.9 HB3 ARG 26 - HG3 ARG 27 far 4 88 5 - 4.6-7.2 HB3 ARG 27 - HG2 ARG 26 far 3 65 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 3 63 5 - 3.7-8.1 HB2 GLU 19 - HG2 ARG 26 far 0 60 0 - 5.2-17.4 HB2 GLU 19 - HG3 ARG 17 far 0 29 0 - 5.3-11.4 HB2 GLU 19 - HG2 ARG 17 far 0 29 0 - 5.6-11.2 HB3 GLU 87 - HG3 ARG 84 far 0 29 0 - 5.6-13.6 HB ILE 68 - HG3 ARG 27 far 0 75 0 - 5.7-10.5 HB ILE 68 - HG3 ARG 70 far 0 47 0 - 6.0-9.8 HB3 ARG 71 - HG3 ARG 27 far 0 52 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 49 0 - 6.5-11.3 HB3 GLU 87 - HG2 ARG 84 far 0 29 0 - 6.9-14.7 HB ILE 68 - HG2 ARG 27 far 0 76 0 - 6.9-11.1 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 7.3-26.3 HB3 ARG 71 - HG2 ARG 27 far 0 53 0 - 7.5-11.9 HB3 PRO 14 - HG2 ARG 17 far 0 58 0 - 7.6-14.0 HB2 ARG 71 - HG2 ARG 27 far 0 50 0 - 7.7-12.2 HB3 PRO 14 - HG3 ARG 17 far 0 58 0 - 7.7-14.5 HB3 PRO 34 - HG3 ARG 17 far 0 57 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 34 0 - 8.0-27.1 HB3 PRO 14 - HG3 ARG 70 far 0 57 0 - 8.3-37.5 HB2 ARG 26 - HG3 ARG 84 far 0 54 0 - 8.3-43.7 HB2 LYS 39 - HG2 ARG 17 far 0 33 0 - 8.4-28.2 HB2 ARG 26 - HG2 ARG 84 far 0 54 0 - 8.5-43.1 HB3 PRO 14 - HG3 ARG 27 far 0 86 0 - 8.9-30.0 HB3 ARG 26 - HG2 ARG 84 far 0 55 0 - 8.9-42.1 HB2 MET 11 - HG2 ARG 27 far 0 89 0 - 8.9-38.6 HB3 ARG 26 - HG3 ARG 84 far 0 55 0 - 9.0-42.6 HG12 ILE 40 - HG3 ARG 27 far 0 58 0 - 9.1-13.8 HB3 PRO 34 - HG2 ARG 17 far 0 57 0 - 9.1-29.9 HB2 ARG 66 - HG3 ARG 84 far 0 53 0 - 9.1-36.4 HB3 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.3-23.2 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 30 0 - 9.4-16.1 HB3 GLU 87 - HG2 ARG 26 far 0 65 0 - 9.5-49.0 HB2 ARG 66 - HG2 ARG 84 far 0 53 0 - 9.5-35.2 HB3 ARG 71 - HG2 ARG 26 far 0 65 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.9-21.2 HB2 ARG 71 - HG3 ARG 84 far 0 28 0 - 9.9-33.8 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 41 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 2.2-3.0 2.9=78, 1167/1.8=22...(33) HB3 ARG 17 + HG2 ARG 17 OK 56 58 100 97 2.3-3.0 2.9=78, 1167/1.8=22...(33) HB2 ARG 84 + HG3 ARG 84 OK 34 36 100 95 2.2-3.0 3.0=77, 3380/1.8=17...(31) HB2 ARG 84 + HG2 ARG 84 OK 34 36 100 95 2.3-3.0 3.0=77, 3379/1.8=17...(31) HG3 ARG 71 - HG3 ARG 70 poor 17 58 30 - 2.3-7.7 HG3 ARG 26 - HG2 ARG 27 far 9 89 10 - 2.7-9.3 HG3 ARG 26 - HG3 ARG 27 far 4 88 5 - 2.5-8.8 HB3 ARG 82 - HG2 ARG 84 far 4 43 10 - 3.3-9.4 HB3 ARG 82 - HG3 ARG 84 far 2 43 5 - 4.1-9.8 HB3 LYS 85 - HG3 ARG 84 far 2 30 5 - 4.1-8.0 HB2 ARG 84 - HG2 ARG 26 far 0 78 0 - 4.8-42.5 HB3 LYS 73 - HG3 ARG 70 far 0 28 0 - 5.0-8.1 HB3 LYS 85 - HG2 ARG 84 far 0 30 0 - 5.4-7.5 HG3 ARG 71 - HG3 ARG 27 far 0 88 0 - 5.8-11.5 HB ILE 33 - HG3 ARG 17 far 0 43 0 - 6.1-25.4 HG3 ARG 26 - HG2 ARG 84 far 0 55 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 55 0 - 6.2-41.1 HB ILE 33 - HG2 ARG 17 far 0 43 0 - 6.7-25.0 HB ILE 33 - HG3 ARG 27 far 0 67 0 - 6.7-11.1 HG3 ARG 71 - HG2 ARG 27 far 0 89 0 - 6.7-12.6 HB3 LYS 32 - HG2 ARG 17 far 0 35 0 - 7.0-30.4 HB3 ARG 82 - HG3 ARG 70 far 0 46 0 - 7.5-27.4 HG3 ARG 26 - HG3 ARG 17 far 0 60 0 - 7.8-22.3 HB ILE 33 - HG2 ARG 27 far 0 68 0 - 8.1-10.7 HB3 LYS 32 - HG3 ARG 17 far 0 35 0 - 8.2-30.7 HB3 LYS 73 - HG2 ARG 84 far 0 26 0 - 8.2-24.6 HB2 ARG 84 - HG3 ARG 70 far 0 39 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 68 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 33 0 - 8.4-29.8 HB2 LYS 32 - HG2 ARG 17 far 0 35 0 - 8.6-29.1 HB3 LYS 73 - HG3 ARG 84 far 0 26 0 - 9.0-25.7 HG3 ARG 71 - HG2 ARG 26 far 0 100 0 - 9.1-18.5 HB3 ARG 17 - HG2 ARG 26 far 0 100 0 - 9.1-21.6 HB2 LYS 32 - HG3 ARG 17 far 0 35 0 - 9.2-29.4 HG3 ARG 71 - HG3 ARG 84 far 0 54 0 - 9.3-35.7 HG2 PRO 34 - HG3 ARG 17 far 0 54 0 - 9.3-28.8 HB2 LYS 32 - HG3 ARG 27 far 0 56 0 - 9.5-13.5 HG3 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.6-22.7 HG3 ARG 71 - HG2 ARG 84 far 0 54 0 - 9.8-34.7 HB2 LYS 32 - HG2 ARG 27 far 0 57 0 - 9.9-13.1 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 55 assignments used, quality = 1.00: * HD2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 88 88 100 100 2.4-3.0 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 2.4-3.0 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 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 29 29 100 100 2.4-3.0 2.9=100 HD3 ARG 23 - HG3 ARG 27 far 13 84 15 - 3.6-12.1 HD3 ARG 71 - HG3 ARG 70 poor 10 33 30 - 3.6-9.3 HD2 ARG 26 - HG2 ARG 27 far 9 89 10 - 3.1-10.1 HD3 ARG 26 - HG2 ARG 27 far 9 89 10 - 3.3-10.6 HD2 ARG 26 - HG3 ARG 27 far 9 88 10 - 2.3-10.3 HD3 ARG 26 - HG3 ARG 27 far 9 88 10 - 3.4-10.3 HD3 ARG 23 - HG2 ARG 27 far 9 85 10 - 4.3-11.5 HD2 ARG 23 - HG2 ARG 27 far 4 85 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 84 5 - 4.2-12.6 HD3 ARG 84 - HG2 ARG 26 far 4 71 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 3 30 10 - 4.9-11.1 HD3 ARG 71 - HG3 ARG 27 far 3 54 5 - 4.0-14.2 HD2 ARG 82 - HG2 ARG 84 far 0 30 0 - 5.0-12.4 HD2 ARG 66 - HG3 ARG 70 far 0 48 0 - 5.2-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 55 0 - 5.3-13.8 HD2 ARG 23 - HG2 ARG 26 far 0 98 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 55 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 51 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 98 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 55 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 100 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 65 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 100 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 34 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 93 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 54 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 93 0 - 7.5-23.8 HD3 ARG 26 - HG2 ARG 84 far 0 54 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 31 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 57 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 33 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 8.1-22.2 HD3 ARG 71 - HG2 ARG 26 far 0 68 0 - 8.2-20.5 HD3 ARG 71 - HG2 ARG 17 far 0 33 0 - 8.3-29.5 HD3 ARG 27 - HG3 ARG 70 far 0 57 0 - 9.0-17.7 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.1-22.3 HD3 ARG 71 - HG3 ARG 17 far 0 34 0 - 9.1-30.1 HD3 ARG 26 - HG2 ARG 17 far 0 59 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 55 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 47 0 - 10.0-35.1 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 58 assignments used, quality = 1.00: * HD3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.4-3.0 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 2.4-3.0 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 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 28 28 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 28 28 100 100 2.4-3.0 2.9=100 HD3 ARG 23 - HG3 ARG 27 far 12 83 15 - 3.6-12.1 HD3 ARG 71 - HG3 ARG 70 poor 10 34 30 - 3.6-9.3 HD3 ARG 26 - HG2 ARG 27 far 9 89 10 - 3.3-10.6 HD2 ARG 26 - HG2 ARG 27 far 9 89 10 - 3.1-10.1 HD2 ARG 26 - HG3 ARG 27 far 9 88 10 - 2.3-10.3 HD3 ARG 26 - HG3 ARG 27 far 9 88 10 - 3.4-10.3 HD3 ARG 23 - HG2 ARG 27 far 8 84 10 - 4.3-11.5 HD2 ARG 23 - HG2 ARG 27 far 4 84 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 4 83 5 - 4.2-12.6 HD3 ARG 84 - HG2 ARG 26 far 3 68 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 3 29 10 - 4.9-11.1 HD3 ARG 71 - HG3 ARG 27 far 3 56 5 - 4.0-14.2 HD3 ARG 70 - HG3 ARG 84 far 1 26 5 - 3.5-34.2 HD3 ARG 70 - HG2 ARG 84 far 1 26 5 - 4.0-32.9 HD2 ARG 82 - HG2 ARG 84 far 0 29 0 - 5.0-12.4 HD2 ARG 66 - HG3 ARG 70 far 0 50 0 - 5.2-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 57 0 - 5.3-13.8 HD2 ARG 23 - HG2 ARG 26 far 0 97 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 54 0 - 5.6-42.5 HD3 ARG 66 - HG3 ARG 70 far 0 52 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 97 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 54 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 99 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 63 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 99 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 33 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 92 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 55 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 92 0 - 7.5-23.8 HD3 ARG 26 - HG2 ARG 84 far 0 55 0 - 7.6-41.9 HD2 ARG 84 - HG3 ARG 70 far 0 30 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 57 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 31 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 8.1-22.2 HD3 ARG 71 - HG2 ARG 26 far 0 71 0 - 8.2-20.5 HD3 ARG 71 - HG2 ARG 17 far 0 35 0 - 8.3-29.5 HD3 ARG 27 - HG3 ARG 70 far 0 57 0 - 9.0-17.7 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.1-22.3 HD3 ARG 71 - HG3 ARG 17 far 0 35 0 - 9.1-30.1 HD3 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 59 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 54 0 - 9.7-19.6 HD3 ARG 66 - HG2 ARG 84 far 0 48 0 - 10.0-35.1 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (8.13, 1.75, 27.49 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.0-3.5 530=81, 5380/65=51...(21) H LYS 85 - HG3 ARG 26 far 0 68 0 - 6.0-42.5 H THR 88 - HG3 ARG 26 far 0 100 0 - 9.0-50.8 Violated in 0 structures by 0.00 A. Peak 1391 from cnoeabs.peaks (4.07, 1.75, 27.49 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.1-4.2 3.7=100 HA GLU 25 + HG3 ARG 26 OK 25 83 35 88 5.1-6.5 3.6/1390=53, 3.0/5926=25...(14) 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 2.2-3.0 3.0=100 HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 - HG3 ARG 26 far 3 68 5 - 4.4-8.2 HB2 ARG 27 - HG3 ARG 26 far 3 65 5 - 4.4-8.2 HB3 PRO 14 - HG3 ARG 26 far 0 99 0 - 6.1-27.0 HB3 ARG 71 - HG3 ARG 26 far 0 68 0 - 9.8-16.8 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: * HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 27 - HG3 ARG 26 far 3 65 5 - 4.4-8.2 HB2 ARG 27 - HG3 ARG 26 far 3 63 5 - 4.4-8.2 HB2 GLU 19 - HG3 ARG 26 far 0 60 0 - 5.2-16.0 HB3 PRO 14 - HG3 ARG 26 far 0 99 0 - 6.1-27.0 HB3 ARG 71 - HG3 ARG 26 far 0 65 0 - 9.8-16.8 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 9 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 10 97 10 - 2.7-9.3 HG3 ARG 27 - HG3 ARG 26 far 5 97 5 - 2.5-8.8 HG LEU 86 - HG3 ARG 26 far 0 76 0 - 5.8-48.9 HG2 ARG 84 - HG3 ARG 26 far 0 63 0 - 6.2-40.5 HG3 ARG 84 - HG3 ARG 26 far 0 63 0 - 6.2-41.1 HB2 LEU 86 - HG3 ARG 26 far 0 99 0 - 6.6-46.9 HG3 ARG 17 - HG3 ARG 26 far 0 100 0 - 7.8-22.3 HG2 ARG 17 - HG3 ARG 26 far 0 100 0 - 9.6-22.7 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 11 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 27 - HG3 ARG 26 far 5 100 5 - 4.9-9.6 HD3 ARG 27 - HG3 ARG 26 far 5 100 5 - 5.0-10.3 HD3 ARG 23 - HG3 ARG 26 far 5 98 5 - 4.3-10.4 HD2 ARG 23 - HG3 ARG 26 far 5 98 5 - 5.2-10.3 HD3 ARG 84 - HG3 ARG 26 far 4 71 5 - 3.8-42.3 HD2 ARG 84 - HG3 ARG 26 far 0 65 0 - 5.5-42.8 HD2 ARG 17 - HG3 ARG 26 far 0 93 0 - 8.4-22.0 HD3 ARG 71 - HG3 ARG 26 far 0 68 0 - 8.4-19.2 HD3 ARG 17 - HG3 ARG 26 far 0 93 0 - 8.7-22.2 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 11 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 27 - HG3 ARG 26 far 5 99 5 - 4.9-9.6 HD3 ARG 27 - HG3 ARG 26 far 5 99 5 - 5.0-10.3 HD3 ARG 23 - HG3 ARG 26 far 5 97 5 - 4.3-10.4 HD2 ARG 23 - HG3 ARG 26 far 5 97 5 - 5.2-10.3 HD3 ARG 84 - HG3 ARG 26 far 3 68 5 - 3.8-42.3 HD2 ARG 84 - HG3 ARG 26 far 0 63 0 - 5.5-42.8 HD2 ARG 17 - HG3 ARG 26 far 0 92 0 - 8.4-22.0 HD3 ARG 71 - HG3 ARG 26 far 0 71 0 - 8.4-19.2 HD3 ARG 17 - HG3 ARG 26 far 0 92 0 - 8.7-22.2 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 40 assignments used, quality = 1.00: * HA ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.3-5.5 4.8=100 HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 3.3-5.5 4.8=100 HA ARG 71 + HD3 ARG 71 OK 66 66 100 100 2.0-5.0 4.7=100 HA ALA 63 + HD3 ARG 66 OK 44 52 85 100 2.1-6.9 4684/3.4=73, 5369/3.4=67...(11) HA ALA 63 + HD2 ARG 66 OK 40 50 80 100 2.4-6.7 4684/3.4=73, 5369/3.4=67...(12) HA ARG 26 - HD3 ARG 27 far 10 100 10 - 6.2-9.1 HA GLU 25 - HD2 ARG 27 far 8 81 10 - 5.4-9.1 HA ALA 63 - HD2 ARG 82 far 3 62 5 - 5.1-36.8 HA ARG 26 - HD3 ARG 84 far 0 71 0 - 6.4-43.6 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 6.5-8.6 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.5-9.1 HA GLU 59 - HD2 ARG 66 far 0 31 0 - 6.7-11.8 HA ARG 26 - HD2 ARG 27 far 0 100 0 - 6.8-8.4 HA GLU 25 - HD3 ARG 71 far 0 50 0 - 6.9-16.2 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 7.0-8.3 HA ARG 26 - HD2 ARG 23 far 0 98 0 - 7.1-11.0 HA ARG 26 - HD3 ARG 23 far 0 98 0 - 7.3-11.1 HA GLU 59 - HD3 ARG 66 far 0 33 0 - 7.3-11.2 HA ARG 71 - HD3 ARG 23 far 0 96 0 - 7.4-16.0 HA ARG 26 - HD3 ARG 17 far 0 93 0 - 7.9-22.7 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 8.0-13.2 HA ARG 26 - HD2 ARG 84 far 0 65 0 - 8.1-44.0 HA ARG 26 - HD2 ARG 17 far 0 93 0 - 8.1-22.8 HA ALA 63 - HD3 ARG 84 far 0 68 0 - 8.2-42.2 HA GLU 59 - HD2 ARG 82 far 0 40 0 - 8.2-41.1 HA GLU 25 - HD3 ARG 23 far 0 78 0 - 8.2-10.8 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 8.3-14.4 HA GLU 25 - HD3 ARG 84 far 0 52 0 - 8.4-38.9 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 8.4-12.3 HA GLU 25 - HD3 ARG 17 far 0 72 0 - 8.7-18.9 HA ARG 71 - HD3 ARG 17 far 0 91 0 - 8.9-29.5 HA GLU 25 - HD2 ARG 23 far 0 78 0 - 9.0-10.8 HA ALA 63 - HD3 ARG 71 far 0 66 0 - 9.1-13.2 HA ARG 71 - HD2 ARG 23 far 0 96 0 - 9.2-16.5 HA ARG 26 - HD3 ARG 71 far 0 68 0 - 9.2-19.3 HA ARG 71 - HD3 ARG 27 far 0 98 0 - 9.3-15.0 HA ARG 71 - HD3 ARG 84 far 0 68 0 - 9.5-33.1 HA ALA 63 - HD2 ARG 84 far 0 63 0 - 9.6-42.1 HA ARG 71 - HD3 ARG 66 far 0 52 0 - 9.8-13.5 HA ARG 71 - HD2 ARG 17 far 0 91 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 12 out of 81 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 94 100 100 94 2.1-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.0-3.7 3.5=63, 3.9/532=10...(54) * HB2 ARG 26 + HD2 ARG 26 OK 93 100 100 93 2.7-3.8 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.2-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 27 + HD2 ARG 27 OK 63 67 100 95 2.1-4.2 3.5=59, 3.0/1420=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 63 67 100 94 2.0-3.8 3.5=59, 3.0/1421=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 61 64 100 94 2.3-4.0 3.5=59, 3.0/1420=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 61 64 100 94 2.2-4.2 3.5=59, 3.0/1420=9...(58) HB2 ARG 66 + HD3 ARG 66 OK 49 54 100 91 2.1-3.8 3.4=63, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 47 51 100 91 2.0-4.0 3.4=63, ~2701=15...(18) HB3 ARG 71 + HD3 ARG 71 OK 36 39 100 93 2.1-4.1 3.5=59, ~2937=19...(42) HB2 ARG 71 + HD3 ARG 71 OK 35 37 100 92 2.5-3.9 3.5=59, ~2937=19...(42) HB2 ARG 26 - HD3 ARG 27 far 5 100 5 - 4.3-8.1 HB3 PRO 14 - HD3 ARG 26 far 5 99 5 - 4.4-27.6 HB2 ARG 26 - HD2 ARG 23 far 5 98 5 - 4.3-9.9 HB2 ARG 27 - HD2 ARG 26 far 3 65 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 3 65 5 - 4.1-8.9 HB2 ARG 66 - HD2 ARG 82 far 3 63 5 - 3.3-31.8 HB2 ARG 27 - HD3 ARG 71 far 2 37 5 - 4.0-14.1 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 4.5-14.7 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 4.6-9.7 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 4.9-9.8 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.3-8.0 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 64 0 - 5.5-11.3 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.7-9.7 HB2 ARG 26 - HD3 ARG 84 far 0 71 0 - 5.8-45.0 HB ILE 68 - HD3 ARG 71 far 0 54 0 - 5.8-10.3 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 5.9-15.2 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 6.0-26.9 HB3 ARG 26 - HD3 ARG 84 far 0 71 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 67 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 64 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.5-12.1 HB3 ARG 71 - HD3 ARG 23 far 0 64 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 67 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 41 0 - 7.3-9.7 HB2 ARG 26 - HD2 ARG 84 far 0 65 0 - 7.3-45.5 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 7.4-30.0 HB2 ARG 66 - HD3 ARG 84 far 0 70 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 92 0 - 7.5-29.6 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 7.6-12.3 HB3 PRO 14 - HD3 ARG 71 far 0 66 0 - 7.7-37.2 HB3 ARG 26 - HD2 ARG 84 far 0 65 0 - 7.8-44.4 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 64 0 - 7.9-14.1 HB ILE 68 - HD3 ARG 66 far 0 43 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 92 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 91 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 91 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 29 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 98 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 100 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 32 0 - 8.8-13.2 HB2 ARG 66 - HD2 ARG 84 far 0 65 0 - 8.8-37.0 HG12 ILE 40 - HD2 ARG 27 far 0 70 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 61 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 17 far 0 93 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 93 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 35 0 - 9.5-29.4 HG12 ILE 40 - HD3 ARG 71 far 0 41 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 30 0 - 9.6-14.1 HB2 MET 11 - HD3 ARG 26 far 0 100 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 54 0 - 9.8-55.8 HB2 LYS 39 - HD3 ARG 17 far 0 61 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 59 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 39 0 - 9.9-34.6 HG12 ILE 40 - HD2 ARG 66 far 0 30 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 12 out of 88 assignments used, quality = 1.00: * HB3 ARG 26 + HD2 ARG 26 OK 94 100 100 94 2.1-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.0-3.7 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 93 100 100 93 2.7-3.8 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.2-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 27 + HD2 ARG 27 OK 61 64 100 94 2.1-4.2 3.5=59, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 61 64 100 94 2.0-3.8 3.5=59, 3.0/1420=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 58 62 100 94 2.3-4.0 3.5=59, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 58 62 100 94 2.2-4.2 3.5=59, 3.0/1421=9...(58) HB2 ARG 66 + HD3 ARG 66 OK 49 53 100 91 2.1-3.8 3.4=63, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 46 51 100 91 2.0-4.0 3.4=63, ~2701=15...(18) HB3 ARG 71 + HD3 ARG 71 OK 35 37 100 93 2.1-4.1 3.5=59, ~2937=19...(42) HB2 ARG 71 + HD3 ARG 71 OK 33 36 100 92 2.5-3.9 3.5=59, ~2937=19...(42) HB2 ARG 26 - HD3 ARG 27 far 5 100 5 - 4.3-8.1 HB3 PRO 14 - HD3 ARG 26 far 5 99 5 - 4.4-27.6 HB2 ARG 26 - HD2 ARG 23 far 5 98 5 - 4.3-9.9 HB2 ARG 66 - HD2 ARG 82 far 3 63 5 - 3.3-31.8 HB2 ARG 27 - HD2 ARG 26 far 3 63 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 3 63 5 - 4.1-8.9 HB2 GLU 19 - HD3 ARG 26 far 3 60 5 - 4.0-16.0 HB2 GLU 19 - HD3 ARG 17 far 3 51 5 - 3.5-12.8 HB2 ARG 27 - HD3 ARG 71 far 2 36 5 - 4.0-14.1 HB3 GLU 87 - HD2 ARG 84 far 0 36 0 - 4.5-14.7 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 4.6-9.7 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 59 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 4.9-9.8 HB2 GLU 19 - HD2 ARG 17 far 0 51 0 - 5.0-13.3 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.3-8.0 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 59 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.5-11.3 HB2 ARG 71 - HD2 ARG 27 far 0 62 0 - 5.7-11.6 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 5.7-15.7 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.7-9.7 HB2 ARG 26 - HD3 ARG 84 far 0 71 0 - 5.8-45.0 HB ILE 68 - HD3 ARG 71 far 0 56 0 - 5.8-10.3 HB3 GLU 87 - HD3 ARG 84 far 0 39 0 - 5.9-15.2 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 6.0-26.9 HB3 ARG 26 - HD3 ARG 84 far 0 71 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 62 0 - 6.5-12.1 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 7.3-9.7 HB2 ARG 26 - HD2 ARG 84 far 0 65 0 - 7.3-45.5 HB2 GLU 19 - HD2 ARG 23 far 0 56 0 - 7.3-17.7 HB3 PRO 14 - HD3 ARG 27 far 0 99 0 - 7.4-30.0 HB2 ARG 66 - HD3 ARG 84 far 0 70 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 91 0 - 7.5-29.6 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 7.6-12.3 HB3 PRO 14 - HD3 ARG 71 far 0 66 0 - 7.7-37.2 HB3 ARG 26 - HD2 ARG 84 far 0 65 0 - 7.8-44.4 HB2 GLU 19 - HD3 ARG 23 far 0 56 0 - 7.8-18.1 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.9-14.1 HB2 GLU 19 - HD3 ARG 71 far 0 34 0 - 8.0-25.5 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 91 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 92 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 59 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 92 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 27 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 99 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 100 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 33 0 - 8.8-13.2 HB2 ARG 66 - HD2 ARG 84 far 0 64 0 - 8.8-37.0 HG12 ILE 40 - HD2 ARG 27 far 0 72 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 59 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 59 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 17 far 0 93 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 93 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 33 0 - 9.5-29.4 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 29 0 - 9.6-14.1 HB2 MET 11 - HD3 ARG 26 far 0 100 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 56 0 - 9.8-55.8 HB2 LYS 39 - HD3 ARG 17 far 0 59 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 56 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 37 0 - 9.9-34.6 HG12 ILE 40 - HD2 ARG 66 far 0 31 0 - 10.0-12.6 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 87 assignments used, quality = 1.00: * HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.2-3.0 3.0=92, 1362/4.8=8...(22) HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 1362/4.8=8...(22) HG2 ARG 27 + HD3 ARG 27 OK 93 96 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 27 + HD2 ARG 27 OK 93 96 100 97 2.4-3.0 3.0=91, 1439/5.4=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 92 96 100 97 2.4-3.0 3.0=91, 3.8/1420=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 92 96 100 97 2.2-3.0 3.0=91, 1439/5.4=7...(49) HG3 ARG 17 + HD2 ARG 17 OK 90 93 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG3 ARG 17 + HD3 ARG 17 OK 90 93 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 17 + HD2 ARG 17 OK 90 93 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 90 93 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 71 + HD3 ARG 71 OK 64 68 100 94 2.2-3.0 3.0=88, 2900/4.7=9...(29) 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 2.2-3.0 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) HG3 ARG 70 - HD3 ARG 71 poor 13 64 20 - 3.6-9.3 HG2 ARG 27 - HD2 ARG 26 far 10 97 10 - 3.1-10.1 HG2 ARG 27 - HD3 ARG 26 far 10 97 10 - 3.3-10.6 HG3 ARG 27 - HD2 ARG 26 far 10 97 10 - 2.3-10.3 HB2 LEU 86 - HD2 ARG 84 far 6 63 10 - 3.9-10.7 HG3 ARG 27 - HD3 ARG 26 far 5 97 5 - 3.4-10.3 HG2 ARG 27 - HD2 ARG 23 far 5 94 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 94 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 93 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 93 5 - 4.2-12.6 HG3 ARG 27 - HD3 ARG 71 far 3 62 5 - 4.0-14.2 HG2 ARG 26 - HD3 ARG 84 far 0 71 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 33 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 33 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 42 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 48 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 5.2-10.8 HG2 ARG 27 - HD3 ARG 71 far 0 63 0 - 5.3-13.8 HG2 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.3-10.9 HG3 ARG 84 - HD2 ARG 26 far 0 63 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 51 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 98 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 63 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 65 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 89 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 100 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 100 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 46 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 67 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 58 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 42 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 64 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 87 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 58 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 89 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 61 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 76 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 60 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.1-22.2 HG2 ARG 26 - HD3 ARG 71 far 0 68 0 - 8.2-20.5 HB3 LEU 51 - HD3 ARG 66 far 0 36 0 - 8.3-14.2 HG2 ARG 17 - HD3 ARG 71 far 0 68 0 - 8.3-29.5 HG2 ARG 71 - HD2 ARG 66 far 0 52 0 - 8.3-13.7 HG LEU 86 - HD3 ARG 26 far 0 76 0 - 8.4-50.6 HD2 LYS 73 - HD3 ARG 71 far 0 62 0 - 8.5-13.1 HB2 LEU 86 - HD2 ARG 26 far 0 99 0 - 8.6-48.6 HB2 LEU 86 - HD3 ARG 26 far 0 99 0 - 8.7-48.7 HD3 LYS 73 - HD3 ARG 71 far 0 62 0 - 8.8-13.1 HD2 LYS 32 - HD2 ARG 17 far 0 87 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 97 0 - 9.0-17.7 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-22.3 HG3 ARG 17 - HD3 ARG 71 far 0 68 0 - 9.1-30.1 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 34 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 49 0 - 9.5-16.7 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 47 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 65 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 95 0 - 9.7-19.6 HG2 ARG 84 - HD3 ARG 66 far 0 27 0 - 10.0-35.1 HD2 LYS 73 - HD3 ARG 66 far 0 49 0 - 10.0-16.7 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 67 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 2.2-4.2 3.6=63, 1.8/1160=21...(35) HB3 ARG 17 + HD2 ARG 17 OK 89 92 100 97 2.4-4.2 3.6=63, 1.8/1161=21...(35) HG3 ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HD3 ARG 84 OK 46 48 100 95 2.2-4.2 3.5=67, ~3410=20...(23) HB3 ARG 82 + HD2 ARG 82 OK 44 51 100 87 2.1-4.2 3.6=59, 5479/3.0=45...(7) HB2 ARG 84 + HD2 ARG 84 OK 42 44 100 95 2.3-3.7 3.5=67, ~3418=20...(23) HG3 ARG 26 - HD3 ARG 23 far 5 98 5 - 4.3-10.4 HB2 ARG 84 - HD2 ARG 26 far 4 78 5 - 4.4-42.6 HG3 ARG 26 - HD3 ARG 84 far 4 71 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 82 far 2 43 5 - 3.9-12.0 HB3 LYS 85 - HD3 ARG 84 far 2 41 5 - 4.4-9.3 HB3 LYS 85 - HD2 ARG 84 far 2 37 5 - 3.2-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 4.7-12.0 HG3 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.9-9.6 HB3 ARG 82 - HD3 ARG 84 far 0 57 0 - 4.9-11.0 HG3 ARG 26 - HD3 ARG 27 far 0 100 0 - 5.0-10.3 HB3 ARG 82 - HD2 ARG 84 far 0 52 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 84 far 0 65 0 - 5.5-42.8 HB3 LYS 32 - HD3 ARG 17 far 0 61 0 - 5.6-30.5 HB2 LEU 62 - HD2 ARG 66 far 0 52 0 - 5.6-9.2 HB3 ARG 82 - HD3 ARG 66 far 0 43 0 - 5.7-33.5 HB2 LEU 62 - HD3 ARG 66 far 0 54 0 - 5.8-8.7 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 78 0 - 6.0-42.7 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 6.7-12.8 HB3 LYS 73 - HD3 ARG 71 far 0 34 0 - 6.7-11.5 HB3 LYS 32 - HD2 ARG 17 far 0 61 0 - 6.9-31.0 HB3 LYS 73 - HD2 ARG 82 far 0 32 0 - 6.9-22.1 HB ILE 33 - HD3 ARG 17 far 0 72 0 - 6.9-24.8 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 64 0 - 7.1-39.0 HB2 LYS 32 - HD3 ARG 17 far 0 61 0 - 7.2-29.3 HB3 ARG 17 - HD3 ARG 71 far 0 67 0 - 7.3-27.9 HB3 ARG 82 - HD2 ARG 66 far 0 41 0 - 7.3-31.9 HG3 ARG 71 - HD2 ARG 66 far 0 51 0 - 7.4-12.5 HB2 LEU 57 - HD2 ARG 66 far 0 39 0 - 7.5-11.2 HB2 LEU 57 - HD3 ARG 66 far 0 41 0 - 7.7-11.6 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-15.3 HB ILE 33 - HD2 ARG 17 far 0 72 0 - 7.9-25.3 HB3 LYS 85 - HD3 ARG 71 far 0 39 0 - 8.0-35.7 HB3 ARG 82 - HD2 ARG 26 far 0 89 0 - 8.1-39.5 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 93 0 - 8.4-22.0 HB2 LYS 32 - HD2 ARG 17 far 0 61 0 - 8.4-29.8 HB3 LYS 85 - HD2 ARG 82 far 0 37 0 - 8.4-13.7 HG3 ARG 26 - HD3 ARG 71 far 0 68 0 - 8.4-19.2 HG3 ARG 71 - HD2 ARG 82 far 0 64 0 - 8.4-30.9 HB3 LYS 73 - HD3 ARG 84 far 0 35 0 - 8.5-26.5 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 8.6-11.3 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 8.6-20.2 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 8.7-11.2 HG3 ARG 26 - HD3 ARG 17 far 0 93 0 - 8.7-22.2 HG2 PRO 34 - HD3 ARG 17 far 0 87 0 - 8.9-29.5 HB3 LYS 85 - HD3 ARG 27 far 0 67 0 - 9.0-38.4 HB3 ARG 82 - HD3 ARG 71 far 0 54 0 - 9.0-31.1 HB3 LYS 85 - HD2 ARG 26 far 0 68 0 - 9.5-44.4 HB3 ARG 82 - HD3 ARG 26 far 0 89 0 - 9.6-39.2 HB2 ARG 84 - HD2 ARG 66 far 0 34 0 - 9.6-37.0 HB3 LYS 85 - HD2 ARG 27 far 0 67 0 - 9.7-37.2 HB2 LYS 32 - HD3 ARG 27 far 0 70 0 - 9.7-13.3 HB3 LYS 73 - HD2 ARG 84 far 0 32 0 - 9.7-26.7 HG3 ARG 71 - HD2 ARG 26 far 0 100 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 70 0 - 9.8-36.4 HG2 PRO 34 - HD2 ARG 17 far 0 87 0 - 9.8-28.8 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): 6 out of 42 assignments used, quality = 1.00: HA ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.3-5.5 4.8=100 * HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 3.3-5.5 4.8=100 HA ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.0-5.0 4.7=100 HA ALA 63 + HD3 ARG 66 OK 45 53 85 100 2.1-6.9 4684/3.4=73, 5369/3.4=67...(11) HA ALA 63 + HD2 ARG 66 OK 41 51 80 100 2.4-6.7 4684/3.4=73, 5369/3.4=67...(12) HA ARG 71 + HD3 ARG 70 OK 21 28 75 99 5.2-7.9 ~307=41, 5395/3.0=33...(23) HA ARG 26 - HD3 ARG 27 far 10 99 10 - 6.2-9.1 HA GLU 25 - HD2 ARG 27 far 8 81 10 - 5.4-9.1 HA ALA 63 - HD2 ARG 82 far 3 59 5 - 5.1-36.8 HA ARG 26 - HD3 ARG 84 far 0 68 0 - 6.4-43.6 HA ALA 63 - HD3 ARG 70 far 0 28 0 - 6.5-11.7 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 6.5-8.6 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.5-9.1 HA GLU 59 - HD2 ARG 66 far 0 32 0 - 6.7-11.8 HA ARG 26 - HD2 ARG 27 far 0 99 0 - 6.8-8.4 HA GLU 25 - HD3 ARG 71 far 0 52 0 - 6.9-16.2 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 7.0-8.3 HA ARG 26 - HD2 ARG 23 far 0 97 0 - 7.1-11.0 HA ARG 26 - HD3 ARG 23 far 0 97 0 - 7.3-11.1 HA GLU 59 - HD3 ARG 66 far 0 34 0 - 7.3-11.2 HA ARG 71 - HD3 ARG 23 far 0 95 0 - 7.4-16.0 HA ARG 26 - HD3 ARG 17 far 0 92 0 - 7.9-22.7 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 8.0-13.2 HA ARG 26 - HD2 ARG 84 far 0 63 0 - 8.1-44.0 HA ARG 26 - HD2 ARG 17 far 0 92 0 - 8.1-22.8 HA ALA 63 - HD3 ARG 84 far 0 66 0 - 8.2-42.2 HA GLU 59 - HD2 ARG 82 far 0 38 0 - 8.2-41.1 HA GLU 25 - HD3 ARG 23 far 0 77 0 - 8.2-10.8 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 8.3-14.4 HA GLU 25 - HD3 ARG 84 far 0 50 0 - 8.4-38.9 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 8.4-12.3 HA GLU 25 - HD3 ARG 17 far 0 71 0 - 8.7-18.9 HA ARG 71 - HD3 ARG 17 far 0 89 0 - 8.9-29.5 HA GLU 25 - HD2 ARG 23 far 0 77 0 - 9.0-10.8 HA ALA 63 - HD3 ARG 71 far 0 68 0 - 9.1-13.2 HA ARG 71 - HD2 ARG 23 far 0 95 0 - 9.2-16.5 HA ARG 26 - HD3 ARG 71 far 0 71 0 - 9.2-19.3 HA ARG 71 - HD3 ARG 27 far 0 98 0 - 9.3-15.0 HA ARG 71 - HD3 ARG 84 far 0 66 0 - 9.5-33.1 HA ALA 63 - HD2 ARG 84 far 0 60 0 - 9.6-42.1 HA ARG 71 - HD3 ARG 66 far 0 53 0 - 9.8-13.5 HA ARG 71 - HD2 ARG 17 far 0 89 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 12 out of 84 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 94 100 100 94 2.1-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.0-3.7 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 93 100 100 93 2.7-3.8 3.5=63, 3.9/532=10...(54) * HB2 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.2-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 27 + HD2 ARG 27 OK 63 66 100 94 2.1-4.2 3.5=59, 3.0/1420=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 63 66 100 94 2.0-3.8 3.5=59, 3.0/1421=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 60 64 100 94 2.3-4.0 3.5=59, 3.0/1420=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 60 64 100 94 2.2-4.2 3.5=59, 3.0/1420=9...(58) HB2 ARG 66 + HD3 ARG 66 OK 50 55 100 91 2.1-3.8 3.4=63, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 48 52 100 91 2.0-4.0 3.4=63, ~2701=15...(18) HB3 ARG 71 + HD3 ARG 71 OK 38 41 100 93 2.1-4.1 3.5=59, ~2937=19...(42) HB2 ARG 71 + HD3 ARG 71 OK 36 39 100 93 2.5-3.9 3.5=59, ~2937=19...(42) HB2 ARG 66 - HD3 ARG 70 poor 6 29 20 - 3.4-9.7 HB2 ARG 26 - HD3 ARG 27 far 5 99 5 - 4.3-8.1 HB3 PRO 14 - HD3 ARG 26 far 5 99 5 - 4.4-27.6 HB2 ARG 26 - HD2 ARG 23 far 5 97 5 - 4.3-9.9 HB2 ARG 27 - HD2 ARG 26 far 3 65 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 3 65 5 - 4.1-8.9 HB2 ARG 66 - HD2 ARG 82 far 3 61 5 - 3.3-31.8 HB2 ARG 27 - HD3 ARG 71 far 2 39 5 - 4.0-14.1 HB3 GLU 87 - HD2 ARG 84 far 0 32 0 - 4.5-14.7 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 41 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 4.6-9.7 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 4.9-9.8 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.3-8.0 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 63 0 - 5.5-11.3 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.7-9.7 HB2 ARG 26 - HD3 ARG 84 far 0 68 0 - 5.8-45.0 HB ILE 68 - HD3 ARG 71 far 0 57 0 - 5.8-10.3 HB3 GLU 87 - HD3 ARG 84 far 0 36 0 - 5.9-15.2 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 6.0-26.9 HB3 ARG 26 - HD3 ARG 84 far 0 68 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 66 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 63 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.5-12.1 HB3 PRO 14 - HD3 ARG 70 far 0 28 0 - 7.1-37.2 HB3 ARG 71 - HD3 ARG 23 far 0 63 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 66 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 7.3-9.7 HB2 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.3-45.5 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 7.4-30.0 HB2 ARG 66 - HD3 ARG 84 far 0 67 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 90 0 - 7.5-29.6 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 7.6-12.3 HB ILE 68 - HD3 ARG 70 far 0 22 0 - 7.6-10.5 HB3 PRO 14 - HD3 ARG 71 far 0 68 0 - 7.7-37.2 HB3 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.8-44.4 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 63 0 - 7.9-14.1 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 90 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 89 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 89 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 29 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 98 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 100 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 32 0 - 8.8-13.2 HB2 ARG 66 - HD2 ARG 84 far 0 62 0 - 8.8-37.0 HG12 ILE 40 - HD2 ARG 27 far 0 69 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 60 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 17 far 0 92 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 28 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 92 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 33 0 - 9.5-29.4 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 31 0 - 9.6-14.1 HB2 MET 11 - HD3 ARG 26 far 0 100 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 57 0 - 9.8-55.8 HB2 LYS 39 - HD3 ARG 17 far 0 60 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 57 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 37 0 - 9.9-34.6 HG12 ILE 40 - HD2 ARG 66 far 0 31 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 12 out of 91 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 94 100 100 94 2.1-4.2 3.5=63, 3.9/532=10...(54) * HB3 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.0-3.7 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD2 ARG 26 OK 93 100 100 93 2.7-3.8 3.5=63, 3.9/532=10...(54) HB2 ARG 26 + HD3 ARG 26 OK 93 100 100 93 2.2-4.2 3.5=63, 3.9/532=10...(54) HB3 ARG 27 + HD2 ARG 27 OK 60 64 100 94 2.1-4.2 3.5=59, 3.0/1421=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 60 64 100 94 2.0-3.8 3.5=59, 3.0/1420=9...(58) HB2 ARG 27 + HD2 ARG 27 OK 58 61 100 94 2.3-4.0 3.5=59, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 58 61 100 94 2.2-4.2 3.5=59, 3.0/1421=9...(58) HB2 ARG 66 + HD3 ARG 66 OK 50 54 100 91 2.1-3.8 3.4=63, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 48 52 100 91 2.0-4.0 3.4=63, ~2701=15...(18) HB3 ARG 71 + HD3 ARG 71 OK 36 39 100 93 2.1-4.1 3.5=59, ~2937=19...(42) HB2 ARG 71 + HD3 ARG 71 OK 34 37 100 93 2.5-3.9 3.5=59, ~2937=19...(42) HB2 ARG 66 - HD3 ARG 70 poor 6 28 20 - 3.4-9.7 HB3 PRO 14 - HD3 ARG 26 far 5 99 5 - 4.4-27.6 HB2 ARG 26 - HD3 ARG 27 far 5 99 5 - 4.3-8.1 HB2 ARG 26 - HD2 ARG 23 far 5 97 5 - 4.3-9.9 HB2 ARG 27 - HD2 ARG 26 far 3 63 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 3 63 5 - 4.1-8.9 HB2 ARG 66 - HD2 ARG 82 far 3 60 5 - 3.3-31.8 HB2 GLU 19 - HD3 ARG 26 far 3 60 5 - 4.0-16.0 HB2 GLU 19 - HD3 ARG 17 far 2 50 5 - 3.5-12.8 HB2 ARG 27 - HD3 ARG 71 far 2 37 5 - 4.0-14.1 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 4.5-14.7 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 4.6-9.7 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 58 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 4.9-9.8 HB2 GLU 19 - HD2 ARG 17 far 0 50 0 - 5.0-13.3 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.3-8.0 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 58 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 5.5-11.3 HB2 ARG 71 - HD2 ARG 27 far 0 61 0 - 5.7-11.6 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 5.7-15.7 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.7-9.7 HB2 ARG 26 - HD3 ARG 84 far 0 68 0 - 5.8-45.0 HB ILE 68 - HD3 ARG 71 far 0 58 0 - 5.8-10.3 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 5.9-15.2 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 6.0-26.9 HB3 ARG 26 - HD3 ARG 84 far 0 68 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 61 0 - 6.5-12.1 HB3 PRO 14 - HD3 ARG 70 far 0 28 0 - 7.1-37.2 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 43 0 - 7.3-9.7 HB2 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.3-45.5 HB2 GLU 19 - HD2 ARG 23 far 0 55 0 - 7.3-17.7 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 7.4-30.0 HB2 ARG 66 - HD3 ARG 84 far 0 67 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 89 0 - 7.5-29.6 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 7.6-12.3 HB ILE 68 - HD3 ARG 70 far 0 23 0 - 7.6-10.5 HB3 PRO 14 - HD3 ARG 71 far 0 69 0 - 7.7-37.2 HB3 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.8-44.4 HB2 GLU 19 - HD3 ARG 23 far 0 55 0 - 7.8-18.1 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.9-14.1 HB2 GLU 19 - HD3 ARG 71 far 0 35 0 - 8.0-25.5 HB ILE 68 - HD3 ARG 66 far 0 45 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 89 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 90 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 58 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 90 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 28 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 98 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 100 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 34 0 - 8.8-13.2 HB2 ARG 66 - HD2 ARG 84 far 0 62 0 - 8.8-37.0 HG12 ILE 40 - HD2 ARG 27 far 0 71 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 58 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 57 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 17 far 0 92 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 92 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 32 0 - 9.5-29.4 HG12 ILE 40 - HD3 ARG 71 far 0 45 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 29 0 - 9.6-14.1 HB2 MET 11 - HD3 ARG 26 far 0 100 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 58 0 - 9.8-55.8 HB2 LYS 39 - HD3 ARG 17 far 0 57 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 55 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 36 0 - 9.9-34.6 HG12 ILE 40 - HD2 ARG 66 far 0 32 0 - 10.0-12.6 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 92 assignments used, quality = 1.00: HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.2-3.0 3.0=92, 1362/4.8=8...(22) * HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 1362/4.8=8...(22) HG2 ARG 27 + HD3 ARG 27 OK 93 96 100 97 2.2-3.0 3.0=91, 3.8/1420=7...(49) HG2 ARG 27 + HD2 ARG 27 OK 93 96 100 97 2.4-3.0 3.0=91, 1439/5.4=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 92 95 100 97 2.4-3.0 3.0=91, 3.8/1420=7...(49) HG3 ARG 27 + HD2 ARG 27 OK 92 95 100 97 2.2-3.0 3.0=91, 1439/5.4=7...(49) HG3 ARG 17 + HD2 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1160=13...(36) HG2 ARG 71 + HD3 ARG 71 OK 67 71 100 94 2.2-3.0 3.0=88, 2900/4.7=9...(29) 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 2.2-3.0 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 2.4-3.0 3.0=92, 2873/5.3=13...(8) HG3 ARG 70 - HD3 ARG 71 poor 13 67 20 - 3.6-9.3 HG2 ARG 71 - HD3 ARG 70 poor 10 29 35 - 2.9-8.7 HG2 ARG 27 - HD3 ARG 26 far 10 97 10 - 3.3-10.6 HG2 ARG 27 - HD2 ARG 26 far 10 97 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 10 97 10 - 2.3-10.3 HB2 LEU 86 - HD2 ARG 84 far 6 60 10 - 3.9-10.7 HG3 ARG 27 - HD3 ARG 26 far 5 97 5 - 3.4-10.3 HG2 ARG 27 - HD2 ARG 23 far 5 93 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 5 93 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 92 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 92 5 - 4.2-12.6 HG3 ARG 27 - HD3 ARG 71 far 3 65 5 - 4.0-14.2 HG2 ARG 26 - HD3 ARG 84 far 0 68 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 32 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 32 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 40 0 - 5.1-11.1 HG3 ARG 70 - HD2 ARG 66 far 0 50 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 5.2-10.8 HG2 ARG 27 - HD3 ARG 71 far 0 66 0 - 5.3-13.8 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.3-10.9 HB2 LEU 86 - HD3 ARG 70 far 0 28 0 - 5.3-39.0 HG3 ARG 84 - HD2 ARG 26 far 0 63 0 - 5.6-42.5 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 97 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 63 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 63 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 88 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 99 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 99 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 44 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 64 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 56 0 - 6.6-23.7 HD3 LYS 73 - HD3 ARG 70 far 0 26 0 - 6.6-12.1 HB2 LEU 86 - HD2 ARG 82 far 0 59 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 92 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 99 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 92 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 40 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.6-41.9 HG2 ARG 71 - HD2 ARG 23 far 0 97 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 55 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 61 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 86 0 - 7.6-31.7 HD2 LYS 73 - HD3 ARG 70 far 0 26 0 - 7.7-11.8 HD3 LYS 73 - HD2 ARG 82 far 0 56 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 88 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 59 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 97 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 76 0 - 8.0-50.6 HG3 ARG 70 - HD2 ARG 82 far 0 58 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.1-22.2 HG2 ARG 26 - HD3 ARG 71 far 0 71 0 - 8.2-20.5 HB3 LEU 51 - HD3 ARG 66 far 0 37 0 - 8.3-14.2 HG2 ARG 17 - HD3 ARG 71 far 0 70 0 - 8.3-29.5 HG2 ARG 71 - HD2 ARG 66 far 0 53 0 - 8.3-13.7 HG LEU 86 - HD3 ARG 26 far 0 76 0 - 8.4-50.6 HD2 LYS 73 - HD3 ARG 71 far 0 65 0 - 8.5-13.1 HB2 LEU 86 - HD2 ARG 26 far 0 99 0 - 8.6-48.6 HB2 LEU 86 - HD3 ARG 26 far 0 99 0 - 8.7-48.7 HD3 LYS 73 - HD3 ARG 71 far 0 65 0 - 8.8-13.1 HD2 LYS 32 - HD2 ARG 17 far 0 86 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 97 0 - 9.0-17.7 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-22.3 HG3 ARG 17 - HD3 ARG 71 far 0 71 0 - 9.1-30.1 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 35 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 50 0 - 9.5-16.7 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 48 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 62 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 94 0 - 9.7-19.6 HG2 ARG 84 - HD3 ARG 66 far 0 28 0 - 10.0-35.1 HD2 LYS 73 - HD3 ARG 66 far 0 50 0 - 10.0-16.7 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 69 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 2.2-4.2 3.6=63, 1.8/1160=20...(35) HB3 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.4-4.2 3.6=63, 1.8/1161=20...(35) HG3 ARG 71 + HD3 ARG 71 OK 70 70 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HD3 ARG 84 OK 44 46 100 95 2.2-4.2 3.5=67, ~3410=20...(23) HB3 ARG 82 + HD2 ARG 82 OK 42 49 100 87 2.1-4.2 3.6=59, 5479/3.0=45...(7) HB2 ARG 84 + HD2 ARG 84 OK 40 42 100 95 2.3-3.7 3.5=67, ~3418=20...(23) HG3 ARG 71 - HD3 ARG 70 poor 10 29 35 - 4.1-8.2 HG3 ARG 26 - HD3 ARG 23 far 5 97 5 - 4.3-10.4 HB2 ARG 84 - HD2 ARG 26 far 4 78 5 - 4.4-42.6 HG3 ARG 26 - HD3 ARG 84 far 3 68 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 82 far 2 41 5 - 3.9-12.0 HB3 LYS 85 - HD3 ARG 84 far 2 39 5 - 4.4-9.3 HB3 LYS 85 - HD2 ARG 84 far 2 36 5 - 3.2-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 4.7-12.0 HG3 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.9-9.6 HB3 ARG 82 - HD3 ARG 84 far 0 54 0 - 4.9-11.0 HG3 ARG 26 - HD3 ARG 27 far 0 99 0 - 5.0-10.3 HB3 ARG 82 - HD2 ARG 84 far 0 50 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 84 far 0 63 0 - 5.5-42.8 HB3 ARG 82 - HD3 ARG 70 far 0 22 0 - 5.5-28.0 HB3 LYS 32 - HD3 ARG 17 far 0 60 0 - 5.6-30.5 HB2 LEU 62 - HD2 ARG 66 far 0 53 0 - 5.6-9.2 HB3 ARG 82 - HD3 ARG 66 far 0 44 0 - 5.7-33.5 HB2 LEU 62 - HD3 ARG 66 far 0 55 0 - 5.8-8.7 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 78 0 - 6.0-42.7 HG3 ARG 71 - HD3 ARG 66 far 0 55 0 - 6.7-12.8 HB3 LYS 73 - HD3 ARG 71 far 0 35 0 - 6.7-11.5 HB3 LYS 32 - HD2 ARG 17 far 0 60 0 - 6.9-31.0 HB3 LYS 73 - HD2 ARG 82 far 0 30 0 - 6.9-22.1 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 6.9-24.8 HG3 ARG 71 - HD3 ARG 23 far 0 97 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 61 0 - 7.1-39.0 HB2 LYS 32 - HD3 ARG 17 far 0 60 0 - 7.2-29.3 HB3 ARG 17 - HD3 ARG 71 far 0 70 0 - 7.3-27.9 HB3 ARG 82 - HD2 ARG 66 far 0 42 0 - 7.3-31.9 HG3 ARG 71 - HD2 ARG 66 far 0 53 0 - 7.4-12.5 HB2 LEU 57 - HD2 ARG 66 far 0 40 0 - 7.5-11.2 HB2 LEU 57 - HD3 ARG 66 far 0 42 0 - 7.7-11.6 HG3 ARG 71 - HD2 ARG 23 far 0 97 0 - 7.7-15.3 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 7.9-25.3 HB3 LYS 85 - HD3 ARG 71 far 0 41 0 - 8.0-35.7 HB3 ARG 82 - HD2 ARG 26 far 0 89 0 - 8.1-39.5 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 92 0 - 8.4-22.0 HB2 LYS 32 - HD2 ARG 17 far 0 60 0 - 8.4-29.8 HB3 LYS 85 - HD2 ARG 82 far 0 35 0 - 8.4-13.7 HG3 ARG 26 - HD3 ARG 71 far 0 71 0 - 8.4-19.2 HG3 ARG 71 - HD2 ARG 82 far 0 61 0 - 8.4-30.9 HB3 LYS 73 - HD3 ARG 84 far 0 34 0 - 8.5-26.5 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 8.6-11.3 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 8.6-20.2 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 8.7-11.2 HG3 ARG 26 - HD3 ARG 17 far 0 92 0 - 8.7-22.2 HG2 PRO 34 - HD3 ARG 17 far 0 86 0 - 8.9-29.5 HB3 LYS 85 - HD3 ARG 27 far 0 66 0 - 9.0-38.4 HB3 ARG 82 - HD3 ARG 71 far 0 57 0 - 9.0-31.1 HB3 LYS 85 - HD2 ARG 26 far 0 68 0 - 9.5-44.4 HB3 ARG 82 - HD3 ARG 26 far 0 89 0 - 9.6-39.2 HB2 ARG 84 - HD2 ARG 66 far 0 35 0 - 9.6-37.0 HB3 LYS 85 - HD2 ARG 27 far 0 66 0 - 9.7-37.2 HB2 LYS 32 - HD3 ARG 27 far 0 69 0 - 9.7-13.3 HB3 LYS 73 - HD2 ARG 84 far 0 31 0 - 9.7-26.7 HG3 ARG 71 - HD2 ARG 26 far 0 100 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 68 0 - 9.8-36.4 HG2 PRO 34 - HD2 ARG 17 far 0 86 0 - 9.8-28.8 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): 4 out of 8 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 56 100 78 3.7-4.6 5380/3.6=48, 534=29...(7) H GLU 25 + HA GLU 25 OK 36 36 100 100 2.8-2.9 2.9=100 H GLU 25 + HA ARG 23 OK 20 49 100 42 3.7-4.7 50/3.6=25, 4.6/5345=9...(6) H ARG 27 - HA ARG 23 poor 16 74 65 34 3.7-5.9 5380/5345=14, 534=12...(6) H GLU 25 - HA ARG 27 far 0 76 0 - 6.4-7.1 H ARG 84 - HA GLU 25 far 0 38 0 - 8.5-35.3 H THR 15 - HA ARG 27 far 0 68 0 - 9.6-24.1 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): 5 out of 27 assignments used, quality = 1.00: * HB2 ARG 27 + HA ARG 27 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/1419=18...(32) HB3 ARG 27 + HA ARG 27 OK 98 100 100 98 2.4-3.0 3.0=91, 2.9/1419=18...(31) 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 27 OK 20 65 45 69 4.2-4.9 3.9/5345=12, 1.8/5344=11...(22) HB3 ARG 26 - HA ARG 27 poor 19 63 45 69 4.0-5.7 1.8/5344=13, 3.9/5345=12...(22) HB3 ARG 26 - HA ARG 23 poor 10 40 25 - 4.1-6.1 HB2 ARG 26 - HA ARG 23 poor 7 41 80 21 2.5-6.1 3.9/5345=8, 5344=3...(7) HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.4-6.7 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 4.5-7.7 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 4.8-6.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 5.2-8.7 HB2 ARG 26 - HA GLU 25 far 0 30 0 - 5.5-6.6 HB3 ARG 26 - HA GLU 25 far 0 28 0 - 6.0-6.6 HB2 LYS 75 - HA GLU 25 far 0 51 0 - 6.0-21.8 HB3 ARG 23 - HA ARG 27 far 0 100 0 - 6.1-9.4 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 6.7-9.9 HB2 LYS 75 - HA ARG 23 far 0 69 0 - 6.9-24.2 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 7.2-13.8 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.3 HB3 ARG 23 - HA GLU 25 far 0 55 0 - 7.3-8.4 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 7.6-14.5 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 7.7-12.7 HB2 ARG 17 - HA GLU 25 far 0 48 0 - 7.9-17.4 HB3 ARG 71 - HA ARG 27 far 0 100 0 - 8.9-13.8 HB2 ARG 71 - HA ARG 23 far 0 74 0 - 9.0-14.0 HB2 ARG 71 - HA ARG 27 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (1.85, 4.12, 58.29 ppm; 2.88 A): 6 out of 27 assignments used, quality = 1.00: HB2 ARG 27 + HA ARG 27 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/1419=18...(32) * HB3 ARG 27 + HA ARG 27 OK 98 100 100 98 2.4-3.0 3.0=91, 2.9/1419=18...(31) 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 27 OK 21 68 45 69 4.2-4.9 3.9/5345=12, 1.8/5344=11...(22) HB3 ARG 26 + HA ARG 27 OK 20 65 45 69 4.0-5.7 1.8/5344=13, 3.9/5345=12...(22) HB3 ARG 26 - HA ARG 23 poor 10 41 25 - 4.1-6.1 HB2 ARG 26 - HA ARG 23 poor 7 43 80 21 2.5-6.1 3.9/5345=8, 5344=3...(7) HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.4-6.7 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 4.5-7.7 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 4.8-6.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 5.2-8.7 HB2 ARG 26 - HA GLU 25 far 0 31 0 - 5.5-6.6 HB3 ARG 26 - HA GLU 25 far 0 30 0 - 6.0-6.6 HB2 LYS 75 - HA GLU 25 far 0 50 0 - 6.0-21.8 HB3 ARG 23 - HA ARG 27 far 0 99 0 - 6.1-9.4 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 6.7-9.9 HB2 LYS 75 - HA ARG 23 far 0 68 0 - 6.9-24.2 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 7.2-13.8 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.3 HB3 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.4 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 7.6-14.5 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 7.7-12.7 HB2 ARG 17 - HA GLU 25 far 0 47 0 - 7.9-17.4 HB3 ARG 71 - HA ARG 27 far 0 100 0 - 8.9-13.8 HB2 ARG 71 - HA ARG 23 far 0 74 0 - 9.0-14.0 HB2 ARG 71 - HA ARG 27 far 0 100 0 - 9.2-13.1 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 18 assignments used, quality = 1.00: * HG2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-3.8 3.8=75, 1.8/1447=31...(61) HG3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.3-3.7 3.8=75, 1.8/1447=31...(61) HG2 ARG 26 - HA ARG 23 poor 14 69 75 27 2.9-6.4 4.9/5345=9, 1439=8...(8) HG2 ARG 27 - HA ARG 23 far 11 74 15 - 3.9-9.3 HG3 ARG 27 - HA ARG 23 far 11 74 15 - 4.6-9.9 HG2 ARG 26 - HA ARG 27 far 10 97 10 - 3.5-6.7 HG2 ARG 27 - HA GLU 25 far 6 56 10 - 4.2-8.2 HG3 ARG 27 - HA GLU 25 far 6 56 10 - 4.2-7.8 HG2 ARG 26 - HA GLU 25 far 0 51 0 - 5.1-6.9 HB2 LEU 86 - HA GLU 25 far 0 44 0 - 7.1-42.7 HG2 ARG 71 - HA ARG 23 far 0 67 0 - 7.7-16.3 HB2 LEU 86 - HA ARG 27 far 0 89 0 - 8.3-48.3 HG2 ARG 71 - HA GLU 25 far 0 50 0 - 9.2-14.7 HG2 ARG 17 - HA GLU 25 far 0 48 0 - 9.4-19.4 HG3 ARG 17 - HA GLU 25 far 0 50 0 - 9.4-19.4 HG2 ARG 71 - HA ARG 27 far 0 96 0 - 9.5-14.4 HD3 LYS 32 - HA ARG 27 far 0 85 0 - 9.6-11.8 HB3 GLN 61 - HA ARG 27 far 0 63 0 - 9.6-10.8 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 18 assignments used, quality = 1.00: HG2 ARG 27 + HA ARG 27 OK 99 100 100 99 2.1-3.8 3.8=75, 1.8/1447=31...(61) * HG3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.3-3.7 3.8=75, 1.8/1447=31...(61) HG2 ARG 26 - HA ARG 23 poor 14 68 75 27 2.9-6.4 4.9/5345=9, 1439=8...(8) HG3 ARG 27 - HA ARG 23 far 11 74 15 - 4.6-9.9 HG2 ARG 27 - HA ARG 23 far 11 74 15 - 3.9-9.3 HG2 ARG 26 - HA ARG 27 far 10 97 10 - 3.5-6.7 HG3 ARG 27 - HA GLU 25 far 6 56 10 - 4.2-7.8 HG2 ARG 27 - HA GLU 25 far 6 56 10 - 4.2-8.2 HG2 ARG 26 - HA GLU 25 far 0 50 0 - 5.1-6.9 HB2 LEU 86 - HA GLU 25 far 0 42 0 - 7.1-42.7 HG2 ARG 71 - HA ARG 23 far 0 66 0 - 7.7-16.3 HB2 LEU 86 - HA ARG 27 far 0 87 0 - 8.3-48.3 HG2 ARG 71 - HA GLU 25 far 0 48 0 - 9.2-14.7 HG2 ARG 17 - HA GLU 25 far 0 47 0 - 9.4-19.4 HG3 ARG 17 - HA GLU 25 far 0 48 0 - 9.4-19.4 HG2 ARG 71 - HA ARG 27 far 0 95 0 - 9.5-14.4 HD3 LYS 32 - HA ARG 27 far 0 83 0 - 9.6-11.8 HB3 GLN 61 - HA ARG 27 far 0 65 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: HD3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.0-4.8 5.4=41, 3.0/1419=32...(57) * HD2 ARG 27 + HA ARG 27 OK 94 100 95 99 2.3-5.5 5.4=41, 3.0/1419=32...(57) HD3 ARG 23 + HA ARG 23 OK 72 74 100 98 2.4-4.7 2.9/1285=61, 5.2=44...(34) HD2 ARG 23 + HA ARG 23 OK 72 74 100 98 2.6-5.4 2.9/1285=61, 5.2=44...(34) HD2 ARG 26 - HA ARG 23 poor 15 73 70 29 2.7-6.4 6.1/5345=9, 3.0/1439=6...(7) HD3 ARG 26 - HA ARG 23 poor 10 73 50 28 2.0-6.8 6.1/5345=9, 3.0/1439=6...(7) HD2 ARG 26 - HA ARG 27 far 10 100 10 - 3.5-7.9 HD3 ARG 26 - HA ARG 27 far 10 99 10 - 2.8-7.9 HD2 ARG 23 - HA ARG 27 far 5 100 5 - 5.2-11.8 HD3 ARG 27 - HA ARG 23 far 4 74 5 - 5.5-9.0 HD2 ARG 27 - HA GLU 25 far 3 56 5 - 5.4-9.1 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 5.7-17.9 HD2 ARG 27 - HA ARG 23 far 0 74 0 - 6.4-10.4 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 6.5-8.6 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.5-9.1 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 6.5-11.5 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 7.0-8.3 HD3 ARG 84 - HA ARG 23 far 0 55 0 - 7.0-41.7 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 7.1-16.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 7.5-16.2 HD2 ARG 84 - HA ARG 23 far 0 51 0 - 8.0-42.3 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 8.2-10.8 HD3 ARG 84 - HA GLU 25 far 0 40 0 - 8.4-38.9 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 8.7-18.9 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: * HD3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.0-4.8 5.4=41, 3.0/1419=32...(57) HD2 ARG 27 + HA ARG 27 OK 94 100 95 99 2.3-5.5 5.4=41, 3.0/1419=32...(57) HD3 ARG 23 + HA ARG 23 OK 72 74 100 98 2.4-4.7 2.9/1285=61, 5.2=44...(34) HD2 ARG 23 + HA ARG 23 OK 72 74 100 98 2.6-5.4 2.9/1285=61, 5.2=44...(34) HD2 ARG 26 - HA ARG 23 poor 15 73 70 29 2.7-6.4 6.1/5345=9, 3.0/1439=6...(7) HD3 ARG 26 - HA ARG 23 poor 10 73 50 28 2.0-6.8 6.1/5345=9, 3.0/1439=6...(7) HD2 ARG 26 - HA ARG 27 far 10 100 10 - 3.5-7.9 HD3 ARG 26 - HA ARG 27 far 10 99 10 - 2.8-7.9 HD2 ARG 23 - HA ARG 27 far 5 100 5 - 5.2-11.8 HD3 ARG 27 - HA ARG 23 far 4 74 5 - 5.5-9.0 HD2 ARG 27 - HA GLU 25 far 3 56 5 - 5.4-9.1 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 5.7-17.9 HD2 ARG 27 - HA ARG 23 far 0 74 0 - 6.4-10.4 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 6.5-8.6 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.5-9.1 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 6.5-11.5 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 7.0-8.3 HD3 ARG 84 - HA ARG 23 far 0 55 0 - 7.0-41.7 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 7.1-16.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 7.5-16.2 HD2 ARG 84 - HA ARG 23 far 0 51 0 - 8.0-42.3 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 8.2-10.8 HD3 ARG 84 - HA GLU 25 far 0 40 0 - 8.4-38.9 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 8.7-18.9 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 9.0-10.8 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 27 assignments used, quality = 1.00: * H ARG 27 + HB2 ARG 27 OK 97 100 100 97 2.1-3.6 4.1=64, 535/1.8=26...(21) H ARG 27 + HB3 ARG 27 OK 96 100 100 96 2.6-3.6 4.1=64, 535/1.8=26...(20) H ARG 27 + HB2 ARG 26 OK 50 54 100 93 2.5-3.8 5380/3.9=46, 4.6=44...(16) H ARG 27 + HB3 ARG 26 OK 48 52 100 93 3.1-4.1 5380/3.9=46, 4.6=44...(16) H GLU 25 - HB3 ARG 23 poor 20 56 35 - 4.5-5.7 H GLU 25 - HB2 ARG 26 poor 13 34 75 52 4.2-6.4 904/3.9=29, 4833=11...(7) H GLU 25 - HB2 ARG 27 poor 12 76 45 36 4.4-7.0 3.6/4157=15, 4833=5...(8) H GLU 25 - HB2 ARG 23 poor 10 56 40 45 4.5-5.8 50/4.2=23, 3.6/4157=7...(7) H ASN 74 - HB3 ARG 71 far 7 68 10 - 4.6-9.0 H ARG 27 - HB3 ARG 23 far 4 83 5 - 4.7-7.1 H GLU 25 - HB3 ARG 26 far 2 33 5 - 5.0-6.5 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.0-8.9 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.1-7.1 H LEU 57 - HB3 PRO 34 far 0 24 0 - 5.3-8.5 H ARG 27 - HB2 ARG 23 far 0 83 0 - 5.6-7.7 H GLU 25 - HB3 ARG 71 far 0 76 0 - 5.8-13.5 H GLU 25 - HB2 ARG 71 far 0 76 0 - 6.9-12.7 H ARG 27 - HB3 ARG 71 far 0 100 0 - 7.4-13.3 H ARG 27 - HB2 ARG 71 far 0 100 0 - 8.2-12.3 H THR 15 - HB3 ARG 71 far 0 68 0 - 8.2-33.9 H ASN 74 - HB2 ARG 23 far 0 49 0 - 8.6-19.7 H THR 15 - HB3 ARG 26 far 0 29 0 - 8.8-24.4 H ASN 74 - HB2 ARG 66 far 0 33 0 - 9.0-13.4 H THR 15 - HB2 ARG 71 far 0 68 0 - 9.1-32.8 H ARG 84 - HB2 ARG 26 far 0 37 0 - 9.5-41.6 H THR 15 - HB2 ARG 26 far 0 30 0 - 9.5-25.4 H ARG 84 - HB2 ARG 66 far 0 40 0 - 9.9-33.5 Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.14 A): 6 out of 32 assignments used, quality = 1.00: * HA ARG 27 + HB2 ARG 27 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 27 + HB3 ARG 27 OK 100 100 100 100 2.4-3.0 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 27 + HB2 ARG 26 OK 33 54 85 73 4.2-4.9 5345/3.9=15, ~65=13...(22) HA ARG 27 + HB3 ARG 26 OK 32 52 85 73 4.0-5.7 5345/3.9=15, ~65=13...(22) HA ARG 23 - HB3 ARG 26 poor 19 47 40 - 4.1-6.1 HA ARG 23 - HB2 ARG 26 poor 9 49 80 23 2.5-6.1 5341/3.9=11, 1439/3.0=4...(7) HA GLU 25 - HB2 ARG 27 far 7 65 10 - 4.4-6.7 HA ARG 23 - HB2 ARG 27 far 5 97 5 - 4.5-7.7 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 4.8-6.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 5.2-8.7 HA GLU 25 - HB2 ARG 26 far 0 29 0 - 5.5-6.6 HA ASN 49 - HB2 ARG 66 far 0 37 0 - 5.9-10.0 HA ALA 30 - HB3 ARG 26 far 0 37 0 - 5.9-8.1 HA GLU 25 - HB3 ARG 26 far 0 27 0 - 6.0-6.6 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.1-9.4 HA ALA 30 - HB2 ARG 26 far 0 38 0 - 6.2-8.7 HA ARG 27 - HB2 ARG 23 far 0 83 0 - 6.7-9.9 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.3-8.3 HA GLU 25 - HB3 ARG 23 far 0 48 0 - 7.3-8.4 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.4-8.5 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 7.6-14.5 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 7.7-12.7 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 7.9-8.7 HA GLN 91 - HB3 PRO 34 far 0 35 0 - 8.5-56.7 HA ARG 27 - HB3 ARG 71 far 0 100 0 - 8.9-13.8 HA ARG 23 - HB2 ARG 71 far 0 96 0 - 9.0-14.0 HA ARG 27 - HB2 ARG 71 far 0 100 0 - 9.2-13.1 HA GLN 91 - HB3 ARG 71 far 0 87 0 - 9.5-51.5 HB THR 88 - HB3 ARG 26 far 0 51 0 - 9.8-53.0 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 59 assignments used, quality = 1.00: HG3 ARG 27 + HB2 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 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(64) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.5-3.0 2.9=94, 1419/3.0=17...(64) HG2 ARG 71 + HB2 ARG 71 OK 95 95 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 95 95 100 100 2.2-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 49 50 100 98 2.2-3.0 3.0=88, 2900/3.0=14...(39) HG2 ARG 26 + HB3 ARG 26 OK 46 48 100 98 2.3-3.0 3.0=88, 2900/3.0=14...(38) HG3 ARG 70 - HB2 ARG 71 poor 17 85 20 - 3.8-7.4 HG2 ARG 27 - HB2 ARG 26 poor 16 54 30 - 3.9-7.2 HG2 ARG 26 - HB3 ARG 27 far 5 97 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 97 5 - 3.7-8.1 HG3 ARG 70 - HB2 ARG 66 far 4 43 10 - 3.3-10.3 HG3 ARG 70 - HB3 ARG 71 far 4 85 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.9-9.9 HG3 ARG 27 - HB2 ARG 26 far 3 54 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 75 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 76 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 52 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 40 0 - 6.8-48.2 HB3 GLN 61 - HB3 PRO 34 far 0 23 0 - 6.9-8.9 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 7.0-11.7 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 42 0 - 7.7-49.2 HG3 ARG 17 - HB3 PRO 34 far 0 41 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.0-11.1 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 8.0-11.7 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 8.4-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.8-11.2 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 8.8-11.6 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.9-10.8 HB2 LEU 86 - HB2 ARG 27 far 0 89 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 40 0 - 9.1-29.9 HB2 LEU 86 - HB2 ARG 66 far 0 46 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 45 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 89 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 64 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 46 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 85 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-15.2 HB3 GLN 61 - HB2 ARG 66 far 0 30 0 - 9.5-11.7 HB2 LEU 86 - HB2 ARG 71 far 0 88 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 97 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 48 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 48 0 - 9.9-16.6 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 59 assignments used, quality = 1.00: * HG3 ARG 27 + HB2 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 2.5-3.0 2.9=94, 1419/3.0=17...(64) 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 2.3-3.0 2.9=94, 1419/3.0=17...(64) HG2 ARG 71 + HB2 ARG 71 OK 94 94 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 94 94 100 100 2.2-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 48 49 100 98 2.2-3.0 3.0=88, 529/3.9=14...(39) HG2 ARG 26 + HB3 ARG 26 OK 46 47 100 98 2.3-3.0 3.0=88, 529/3.9=14...(38) HG3 ARG 70 - HB2 ARG 71 poor 17 83 20 - 3.8-7.4 HG2 ARG 27 - HB2 ARG 26 poor 16 54 30 - 3.9-7.2 HG2 ARG 26 - HB3 ARG 27 far 5 97 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 97 5 - 3.7-8.1 HG3 ARG 70 - HB2 ARG 66 far 4 42 10 - 3.3-10.3 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.9-9.9 HG3 ARG 70 - HB3 ARG 71 far 4 83 5 - 3.7-8.3 HG3 ARG 27 - HB2 ARG 26 far 3 54 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 74 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 51 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 95 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 39 0 - 6.8-48.2 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 6.9-8.9 HD2 LYS 32 - HB3 PRO 34 far 0 30 0 - 7.0-11.7 HG2 ARG 71 - HB3 ARG 27 far 0 94 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 41 0 - 7.7-49.2 HG3 ARG 17 - HB3 PRO 34 far 0 40 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.0-11.1 HD3 LYS 32 - HB3 PRO 34 far 0 33 0 - 8.0-11.7 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 8.4-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.8-11.2 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 8.8-11.6 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.9-10.8 HB2 LEU 86 - HB2 ARG 27 far 0 87 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 39 0 - 9.1-29.9 HB2 LEU 86 - HB2 ARG 66 far 0 45 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 44 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 87 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 62 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 45 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 39 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 83 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 39 0 - 9.4-15.2 HB3 GLN 61 - HB2 ARG 66 far 0 31 0 - 9.5-11.7 HB2 LEU 86 - HB2 ARG 71 far 0 87 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 96 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 47 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 47 0 - 9.9-16.6 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 75 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.2 3.5=77, 1421/3.0=10...(62) * HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-4.0 3.5=77, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.2 3.5=77, 1420/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.0-3.8 3.5=77, 1420/3.0=11...(62) HD2 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.2-3.6 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.0-3.9 3.5=78, 2.9/1287=30...(36) HD2 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.3-3.7 3.5=78, 2.9/1287=30...(36) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.0-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.1-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 26 + HB2 ARG 26 OK 52 53 100 98 2.7-3.8 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB2 ARG 26 OK 52 52 100 98 2.2-4.2 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.1-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.0-3.7 3.5=83, 532/3.9=12...(58) HD3 ARG 66 + HB2 ARG 66 OK 44 45 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 41 42 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 8 81 10 - 3.9-8.8 HD3 ARG 27 - HB2 ARG 26 far 5 54 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 5 53 10 - 4.3-9.9 HD2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 5 100 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 5 99 5 - 4.1-8.9 HD2 ARG 71 - HB2 ARG 23 far 4 43 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 4 82 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 4 81 5 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 27 far 3 60 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 3 53 5 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 2 43 5 - 4.1-16.0 HD2 ARG 82 - HB2 ARG 66 far 2 40 5 - 3.3-31.8 HD3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 54 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 38 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 37 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 36 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 42 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 7.5-29.6 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 34 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 87 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 62 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 39 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 25 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 58 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 80 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 62 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 87 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 98 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 83 0 - 9.9-34.6 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 75 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.2 3.5=77, 1421/3.0=10...(62) HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-4.0 3.5=77, 1421/3.0=10...(62) * HD3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.2 3.5=77, 1420/3.0=11...(62) HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.0-3.8 3.5=77, 1420/3.0=11...(62) HD2 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB3 ARG 23 OK 82 82 100 99 2.2-3.6 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.0-3.9 3.5=78, 2.9/1287=30...(36) HD2 ARG 23 + HB2 ARG 23 OK 81 82 100 99 2.3-3.7 3.5=78, 2.9/1287=30...(36) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.0-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.1-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 26 + HB2 ARG 26 OK 52 53 100 98 2.7-3.8 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB2 ARG 26 OK 52 52 100 98 2.2-4.2 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.1-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.0-3.7 3.5=83, 532/3.9=12...(58) HD3 ARG 66 + HB2 ARG 66 OK 44 45 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 41 42 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 8 81 10 - 3.9-8.8 HD3 ARG 27 - HB2 ARG 26 far 5 54 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 5 53 10 - 4.3-9.9 HD2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 5 100 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 5 99 5 - 4.1-8.9 HD2 ARG 71 - HB2 ARG 23 far 4 43 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 4 82 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 4 81 5 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 27 far 3 60 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 3 53 5 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 2 43 5 - 4.1-16.0 HD2 ARG 82 - HB2 ARG 66 far 2 40 5 - 3.3-31.8 HD3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 54 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 38 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 37 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 36 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 42 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 7.5-29.6 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 34 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 87 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 62 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 39 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 25 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 58 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 80 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 62 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 87 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 98 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 83 0 - 9.9-34.6 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 27 assignments used, quality = 1.00: H ARG 27 + HB2 ARG 27 OK 97 100 100 97 2.1-3.6 4.1=64, 535/1.8=26...(21) * H ARG 27 + HB3 ARG 27 OK 96 100 100 96 2.6-3.6 4.1=64, 535/1.8=26...(20) H ARG 27 + HB2 ARG 26 OK 53 56 100 93 2.5-3.8 5380/3.9=46, 4.6=44...(16) H ARG 27 + HB3 ARG 26 OK 50 54 100 93 3.1-4.1 5380/3.9=46, 4.6=44...(16) H GLU 25 - HB3 ARG 23 poor 20 56 35 - 4.5-5.7 H GLU 25 - HB2 ARG 26 poor 14 36 75 52 4.2-6.4 904/3.9=29, 4833=11...(7) H GLU 25 - HB2 ARG 27 poor 12 76 45 36 4.4-7.0 3.6/4157=15, 4833=5...(8) H GLU 25 - HB2 ARG 23 poor 10 55 40 45 4.5-5.8 50/4.2=23, 3.6/4157=7...(7) H ASN 74 - HB3 ARG 71 far 7 68 10 - 4.6-9.0 H ARG 27 - HB3 ARG 23 far 4 83 5 - 4.7-7.1 H GLU 25 - HB3 ARG 26 far 2 34 5 - 5.0-6.5 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.0-8.9 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.1-7.1 H LEU 57 - HB3 PRO 34 far 0 25 0 - 5.3-8.5 H ARG 27 - HB2 ARG 23 far 0 82 0 - 5.6-7.7 H GLU 25 - HB3 ARG 71 far 0 76 0 - 5.8-13.5 H GLU 25 - HB2 ARG 71 far 0 76 0 - 6.9-12.7 H ARG 27 - HB3 ARG 71 far 0 100 0 - 7.4-13.3 H ARG 27 - HB2 ARG 71 far 0 100 0 - 8.2-12.3 H THR 15 - HB3 ARG 71 far 0 68 0 - 8.2-33.9 H ASN 74 - HB2 ARG 23 far 0 49 0 - 8.6-19.7 H THR 15 - HB3 ARG 26 far 0 30 0 - 8.8-24.4 H ASN 74 - HB2 ARG 66 far 0 34 0 - 9.0-13.4 H THR 15 - HB2 ARG 71 far 0 68 0 - 9.1-32.8 H ARG 84 - HB2 ARG 26 far 0 39 0 - 9.5-41.6 H THR 15 - HB2 ARG 26 far 0 32 0 - 9.5-25.4 H ARG 84 - HB2 ARG 66 far 0 42 0 - 9.9-33.5 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.14 A): 6 out of 32 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 2.5-3.0 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 27 + HB2 ARG 26 OK 35 56 85 73 4.2-4.9 5345/3.9=15, ~65=13...(22) HA ARG 27 + HB3 ARG 26 OK 34 54 85 73 4.0-5.7 5345/3.9=15, ~65=13...(22) HA ARG 23 - HB3 ARG 26 poor 20 49 40 - 4.1-6.1 HA ARG 23 - HB2 ARG 26 poor 9 51 80 23 2.5-6.1 5341/3.9=11, 1439/3.0=4...(7) HA GLU 25 - HB2 ARG 27 far 7 65 10 - 4.4-6.7 HA ARG 23 - HB2 ARG 27 far 5 97 5 - 4.5-7.7 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 4.8-6.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 5.2-8.7 HA GLU 25 - HB2 ARG 26 far 0 30 0 - 5.5-6.6 HA ASN 49 - HB2 ARG 66 far 0 39 0 - 5.9-10.0 HA ALA 30 - HB3 ARG 26 far 0 38 0 - 5.9-8.1 HA GLU 25 - HB3 ARG 26 far 0 29 0 - 6.0-6.6 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.1-9.4 HA ALA 30 - HB2 ARG 26 far 0 40 0 - 6.2-8.7 HA ARG 27 - HB2 ARG 23 far 0 82 0 - 6.7-9.9 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.3-8.3 HA GLU 25 - HB3 ARG 23 far 0 47 0 - 7.3-8.4 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.4-8.5 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 7.6-14.5 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 7.7-12.7 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 7.9-8.7 HA GLN 91 - HB3 PRO 34 far 0 36 0 - 8.5-56.7 HA ARG 27 - HB3 ARG 71 far 0 100 0 - 8.9-13.8 HA ARG 23 - HB2 ARG 71 far 0 96 0 - 9.0-14.0 HA ARG 27 - HB2 ARG 71 far 0 100 0 - 9.2-13.1 HA GLN 91 - HB3 ARG 71 far 0 87 0 - 9.5-51.5 HB THR 88 - HB3 ARG 26 far 0 53 0 - 9.8-53.0 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 59 assignments used, quality = 1.00: * HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(64) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.5-3.0 2.9=94, 1419/3.0=17...(64) 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 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 71 + HB3 ARG 71 OK 95 95 100 100 2.2-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 95 95 100 100 2.4-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 51 52 100 98 2.2-3.0 3.0=88, 2900/3.0=14...(39) HG2 ARG 26 + HB3 ARG 26 OK 49 50 100 98 2.3-3.0 3.0=88, 2900/3.0=14...(38) HG2 ARG 27 - HB2 ARG 26 poor 17 56 30 - 3.9-7.2 HG3 ARG 70 - HB2 ARG 71 poor 17 85 20 - 3.8-7.4 HG2 ARG 26 - HB3 ARG 27 far 5 97 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 97 5 - 3.7-8.1 HG3 ARG 70 - HB2 ARG 66 far 4 45 10 - 3.3-10.3 HG3 ARG 70 - HB3 ARG 71 far 4 85 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.9-9.9 HG3 ARG 27 - HB2 ARG 26 far 3 56 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 75 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 54 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 42 0 - 6.8-48.2 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 6.9-8.9 HD2 LYS 32 - HB3 PRO 34 far 0 33 0 - 7.0-11.7 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 44 0 - 7.7-49.2 HG3 ARG 17 - HB3 PRO 34 far 0 43 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.0-11.1 HD3 LYS 32 - HB3 PRO 34 far 0 35 0 - 8.0-11.7 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 8.4-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 8.8-11.2 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 8.8-11.6 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.9-10.8 HB2 LEU 86 - HB2 ARG 27 far 0 89 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 42 0 - 9.1-29.9 HB2 LEU 86 - HB2 ARG 66 far 0 48 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 47 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 89 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 63 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 48 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 42 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 85 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 42 0 - 9.4-15.2 HB3 GLN 61 - HB2 ARG 66 far 0 31 0 - 9.5-11.7 HB2 LEU 86 - HB2 ARG 71 far 0 88 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 97 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 50 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 50 0 - 9.9-16.6 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 59 assignments used, quality = 1.00: * HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.5-3.0 2.9=94, 1419/3.0=17...(64) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-3.0 2.9=94, 1419/3.0=17...(66) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1419/3.0=17...(64) 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 2.2-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 94 94 100 100 2.4-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 50 51 100 98 2.2-3.0 3.0=88, 529/3.9=14...(39) HG2 ARG 26 + HB3 ARG 26 OK 48 49 100 98 2.3-3.0 3.0=88, 529/3.9=14...(38) HG2 ARG 27 - HB2 ARG 26 poor 17 56 30 - 3.9-7.2 HG3 ARG 70 - HB2 ARG 71 poor 17 83 20 - 3.8-7.4 HG2 ARG 26 - HB3 ARG 27 far 5 97 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 97 5 - 3.7-8.1 HG3 ARG 70 - HB2 ARG 66 far 4 43 10 - 3.3-10.3 HG3 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.9-9.9 HG3 ARG 70 - HB3 ARG 71 far 4 83 5 - 3.7-8.3 HG3 ARG 27 - HB2 ARG 26 far 3 56 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 76 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 73 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 74 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 53 0 - 6.5-11.0 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 94 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 41 0 - 6.8-48.2 HB3 GLN 61 - HB3 PRO 34 far 0 25 0 - 6.9-8.9 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 7.0-11.7 HG2 ARG 71 - HB3 ARG 27 far 0 95 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.5-11.9 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 43 0 - 7.7-49.2 HG3 ARG 17 - HB3 PRO 34 far 0 42 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.0-11.1 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 8.0-11.7 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 8.4-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 8.8-11.2 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 8.8-11.6 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.9-10.8 HB2 LEU 86 - HB2 ARG 27 far 0 87 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 41 0 - 9.1-29.9 HB2 LEU 86 - HB2 ARG 66 far 0 46 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 46 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 87 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 61 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 47 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 83 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-15.2 HB3 GLN 61 - HB2 ARG 66 far 0 33 0 - 9.5-11.7 HB2 LEU 86 - HB2 ARG 71 far 0 87 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 96 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 49 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 49 0 - 9.9-16.6 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 75 assignments used, quality = 1.00: * HD2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.2 3.5=77, 1421/3.0=10...(62) HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.0-3.8 3.5=77, 1420/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-4.0 3.5=77, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.2 3.5=77, 1420/3.0=11...(62) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.2-3.6 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.0-3.9 3.5=78, 2.9/1287=30...(36) HD2 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.3-3.7 3.5=78, 2.9/1287=30...(36) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.1-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.0-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.7-3.8 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.2-4.2 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB3 ARG 26 OK 52 53 100 98 2.1-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 52 52 100 98 2.0-3.7 3.5=83, 532/3.9=12...(58) HD3 ARG 66 + HB2 ARG 66 OK 45 46 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 42 43 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 8 81 10 - 3.9-8.8 HD3 ARG 27 - HB2 ARG 26 far 6 56 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 6 56 10 - 4.3-9.9 HD2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 5 100 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 5 99 5 - 4.1-8.9 HD2 ARG 71 - HB2 ARG 23 far 4 43 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 4 81 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 4 80 5 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 27 far 3 60 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 3 56 5 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 2 43 5 - 4.1-16.0 HD2 ARG 82 - HB2 ARG 66 far 2 42 5 - 3.3-31.8 HD3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 56 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 40 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 38 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 37 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 43 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 7.5-29.6 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 36 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 87 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 61 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 40 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 26 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 57 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 80 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 62 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 87 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 98 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 83 0 - 9.9-34.6 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 75 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.1-4.2 3.5=77, 1421/3.0=10...(62) * HD3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.0-3.8 3.5=77, 1420/3.0=11...(62) HD2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-4.0 3.5=77, 1421/3.0=10...(62) HD3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.2-4.2 3.5=77, 1420/3.0=11...(62) HD2 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.1-3.9 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB3 ARG 23 OK 81 82 100 99 2.2-3.6 3.5=78, 2.9/1287=30...(35) HD3 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.0-3.9 3.5=78, 2.9/1287=30...(36) HD2 ARG 23 + HB2 ARG 23 OK 80 81 100 99 2.3-3.7 3.5=78, 2.9/1287=30...(36) HD2 ARG 71 + HB3 ARG 71 OK 58 60 100 97 2.1-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 71 + HB2 ARG 71 OK 58 60 100 97 2.0-4.2 3.5=78, 2937/3.0=23...(32) HD2 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.7-3.8 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB2 ARG 26 OK 54 55 100 98 2.2-4.2 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB3 ARG 26 OK 52 53 100 98 2.1-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 52 52 100 98 2.0-3.7 3.5=83, 532/3.9=12...(58) HD3 ARG 66 + HB2 ARG 66 OK 45 46 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 42 43 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 26 - HB3 ARG 23 far 8 81 10 - 3.9-8.8 HD3 ARG 27 - HB2 ARG 26 far 6 56 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 6 56 10 - 4.3-9.9 HD2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 5 100 5 - 4.6-9.7 HD3 ARG 26 - HB2 ARG 27 far 5 99 5 - 4.1-8.9 HD2 ARG 71 - HB2 ARG 23 far 4 43 10 - 3.5-16.2 HD2 ARG 26 - HB3 ARG 23 far 4 81 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 4 80 5 - 4.7-9.6 HD2 ARG 71 - HB2 ARG 27 far 3 60 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 3 56 5 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 2 43 5 - 4.1-16.0 HD2 ARG 82 - HB2 ARG 66 far 2 42 5 - 3.3-31.8 HD3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 56 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 83 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 40 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 38 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 37 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 43 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 7.5-29.6 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 36 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 87 0 - 8.6-12.8 HD3 ARG 84 - HB2 ARG 23 far 0 61 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 40 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 26 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 9.3-13.8 HD2 ARG 84 - HB2 ARG 23 far 0 57 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 80 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 62 0 - 9.6-40.8 HD3 ARG 66 - HB3 ARG 71 far 0 87 0 - 9.6-14.1 HD3 ARG 17 - HB3 ARG 71 far 0 98 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 83 0 - 9.9-34.6 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 14 assignments used, quality = 1.00: * H ARG 27 + HG2 ARG 27 OK 99 100 100 99 2.0-4.6 5.0=57, 3.0/1419=34...(27) H ARG 27 + HG3 ARG 27 OK 99 100 100 99 2.0-4.5 5.0=57, 3.0/1419=34...(27) H ARG 27 + HG2 ARG 26 OK 87 89 100 97 1.9-5.3 65/1.8=62, 5380/4.9=46...(20) H GLU 25 + HG2 ARG 26 OK 25 62 55 74 3.9-6.6 904/4.9=30, 4.0/5925=21...(7) H GLU 25 - HG3 ARG 27 poor 19 76 25 - 4.3-8.1 H GLU 25 - HG2 ARG 27 far 11 76 15 - 3.8-8.1 H ASN 74 - HG3 ARG 70 poor 11 42 25 - 4.7-9.2 H THR 15 - HG3 ARG 17 far 0 50 0 - 5.8-11.8 H THR 15 - HG2 ARG 17 far 0 49 0 - 6.0-11.1 H ARG 84 - HG3 ARG 70 far 0 52 0 - 6.5-29.1 H ARG 84 - HG2 ARG 26 far 0 66 0 - 8.4-40.3 H THR 15 - HG3 ARG 70 far 0 42 0 - 8.7-35.4 H GLU 25 - HG3 ARG 17 far 0 56 0 - 9.5-18.3 H THR 15 - HG2 ARG 26 far 0 55 0 - 9.7-23.6 Violated in 0 structures by 0.00 A. Peak 1439 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 17 assignments used, quality = 1.00: * HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.1-3.8 3.8=83, 1419/1.8=35...(65) HA ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.7 3.8=83, 1419/1.8=35...(65) HA ARG 23 - HG3 ARG 27 poor 19 97 20 - 4.6-9.9 HA ARG 23 - HG2 ARG 26 poor 18 83 75 29 2.9-6.4 5341/4.9=11, 1418=7...(8) HA ARG 23 - HG2 ARG 27 far 14 97 15 - 3.9-9.3 HA ARG 27 - HG2 ARG 26 far 9 89 10 - 3.5-6.7 HA GLU 25 - HG2 ARG 27 far 7 65 10 - 4.2-8.2 HA GLU 25 - HG3 ARG 27 far 7 65 10 - 4.2-7.8 HA GLU 25 - HG2 ARG 26 far 0 53 0 - 5.1-6.9 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.0-9.4 HA ALA 30 - HG2 ARG 26 far 0 68 0 - 7.2-9.6 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.4-9.5 HA ALA 30 - HG3 ARG 17 far 0 62 0 - 8.4-27.1 HB THR 88 - HG2 ARG 26 far 0 89 0 - 8.8-53.0 HA GLU 25 - HG2 ARG 17 far 0 47 0 - 9.4-19.4 HA GLU 25 - HG3 ARG 17 far 0 48 0 - 9.4-19.4 HA ALA 30 - HG2 ARG 17 far 0 61 0 - 9.6-27.1 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 2.2-3.0 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 2.5-3.0 2.9=74, 3.0/1419=14...(56) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.3-3.0 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 69 73 100 95 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 48 53 100 91 2.2-3.0 3.0=69, 3.0/2900=12...(30) HB3 ARG 26 + HG2 ARG 26 OK 46 50 100 91 2.3-3.0 3.0=69, 3.0/2900=12...(30) HB2 ARG 26 - HG2 ARG 27 poor 13 65 20 - 3.9-7.2 HB2 ARG 71 - HG3 ARG 70 far 11 73 15 - 3.8-7.4 HB3 ARG 23 - HG3 ARG 27 far 5 100 5 - 3.9-9.9 HB2 ARG 66 - HG3 ARG 70 far 5 48 10 - 3.3-10.3 HB3 ARG 27 - HG2 ARG 26 far 4 89 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 4 89 5 - 3.7-8.1 HB3 ARG 71 - HG3 ARG 70 far 4 73 5 - 3.7-8.3 HB2 ARG 26 - HG3 ARG 27 far 3 65 5 - 4.0-7.2 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 4.5-7.9 HB3 ARG 23 - HG2 ARG 26 far 0 88 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.6-9.3 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.6-7.2 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.6-11.1 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 68 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.7-12.2 HB3 PRO 34 - HG3 ARG 17 far 0 60 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.0-27.1 HB2 LYS 39 - HG2 ARG 17 far 0 82 0 - 8.4-28.2 HB3 PRO 34 - HG2 ARG 17 far 0 59 0 - 9.1-29.9 HB2 ARG 17 - HG2 ARG 26 far 0 80 0 - 9.2-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 45 0 - 9.3-23.2 HB2 ARG 23 - HG3 ARG 70 far 0 71 0 - 9.4-18.2 HB3 ARG 26 - HG3 ARG 17 far 0 46 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 84 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 89 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 48 0 - 9.9-21.2 HB2 LYS 75 - HG2 ARG 27 far 0 97 0 - 10.0-22.9 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: HB2 ARG 27 + HG3 ARG 27 OK 96 100 100 96 2.2-3.0 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 2.5-3.0 2.9=74, 3.0/1419=14...(56) * HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.3-3.0 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 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 50 55 100 91 2.2-3.0 3.0=69, 3.0/2900=12...(30) HB3 ARG 26 + HG2 ARG 26 OK 48 53 100 91 2.3-3.0 3.0=69, 3.0/2900=12...(30) HB2 ARG 26 - HG2 ARG 27 poor 14 68 20 - 3.9-7.2 HB2 ARG 71 - HG3 ARG 70 far 11 73 15 - 3.8-7.4 HB2 ARG 66 - HG3 ARG 70 far 5 50 10 - 3.3-10.3 HB3 ARG 23 - HG3 ARG 27 far 5 99 5 - 3.9-9.9 HB3 ARG 27 - HG2 ARG 26 far 4 89 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 4 89 5 - 3.7-8.1 HB3 ARG 71 - HG3 ARG 70 far 4 73 5 - 3.7-8.3 HB2 ARG 26 - HG3 ARG 27 far 3 68 5 - 4.0-7.2 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 4.5-7.9 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-9.3 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.6-7.2 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.6-11.1 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 67 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.7-12.2 HB3 PRO 34 - HG3 ARG 17 far 0 62 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.0-27.1 HB2 LYS 39 - HG2 ARG 17 far 0 82 0 - 8.4-28.2 HB3 PRO 34 - HG2 ARG 17 far 0 61 0 - 9.1-29.9 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 9.2-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 47 0 - 9.3-23.2 HB2 ARG 23 - HG3 ARG 70 far 0 70 0 - 9.4-18.2 HB3 ARG 26 - HG3 ARG 17 far 0 48 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 83 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 89 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 50 0 - 9.9-21.2 HB2 LYS 75 - HG2 ARG 27 far 0 97 0 - 10.0-22.9 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 44 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG3 ARG 27 far 10 100 10 - 3.6-12.1 HD2 ARG 26 - HG3 ARG 27 far 10 100 10 - 2.3-10.3 HD2 ARG 26 - HG2 ARG 27 far 10 100 10 - 3.1-10.1 HD3 ARG 26 - HG2 ARG 27 far 10 99 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 5 100 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 5 100 5 - 4.2-12.6 HD3 ARG 23 - HG2 ARG 27 far 5 100 5 - 4.3-11.5 HD3 ARG 26 - HG3 ARG 27 far 5 99 5 - 3.4-10.3 HD2 ARG 71 - HG3 ARG 70 far 4 37 10 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 68 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 5.6-13.1 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.7-10.5 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 64 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 53 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 85 0 - 7.2-23.7 HD3 ARG 17 - HG2 ARG 26 far 0 85 0 - 7.5-23.8 HD2 ARG 84 - HG3 ARG 70 far 0 50 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 73 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 52 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 42 0 - 8.4-28.9 HD2 ARG 71 - HG2 ARG 26 far 0 48 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 43 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 72 0 - 9.7-19.6 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.06 A): 10 out of 44 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG3 ARG 27 far 10 100 10 - 3.6-12.1 HD2 ARG 26 - HG3 ARG 27 far 10 100 10 - 2.3-10.3 HD2 ARG 26 - HG2 ARG 27 far 10 100 10 - 3.1-10.1 HD3 ARG 26 - HG2 ARG 27 far 10 99 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 5 100 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 5 100 5 - 4.2-12.6 HD3 ARG 23 - HG2 ARG 27 far 5 100 5 - 4.3-11.5 HD3 ARG 26 - HG3 ARG 27 far 5 99 5 - 3.4-10.3 HD2 ARG 71 - HG3 ARG 70 far 4 37 10 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 68 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 5.6-13.1 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 5.7-10.5 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 64 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 89 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 53 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 85 0 - 7.2-23.7 HD3 ARG 17 - HG2 ARG 26 far 0 85 0 - 7.5-23.8 HD2 ARG 84 - HG3 ARG 70 far 0 50 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 73 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 52 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 42 0 - 8.4-28.9 HD2 ARG 71 - HG2 ARG 26 far 0 48 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 73 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 43 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 72 0 - 9.7-19.6 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 17 assignments used, quality = 1.00: HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.1-3.8 3.8=83, 1419/1.8=35...(65) * HA ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.7 3.8=83, 1419/1.8=35...(65) HA ARG 23 - HG3 ARG 27 poor 19 97 20 - 4.6-9.9 HA ARG 23 - HG2 ARG 26 poor 18 82 75 29 2.9-6.4 5341/4.9=11, 1418=7...(8) HA ARG 23 - HG2 ARG 27 far 14 97 15 - 3.9-9.3 HA ARG 27 - HG2 ARG 26 far 9 88 10 - 3.5-6.7 HA GLU 25 - HG3 ARG 27 far 7 65 10 - 4.2-7.8 HA GLU 25 - HG2 ARG 27 far 7 65 10 - 4.2-8.2 HA GLU 25 - HG2 ARG 26 far 0 52 0 - 5.1-6.9 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.0-9.4 HA ALA 30 - HG2 ARG 26 far 0 67 0 - 7.2-9.6 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.4-9.5 HA ALA 30 - HG3 ARG 17 far 0 61 0 - 8.4-27.1 HB THR 88 - HG2 ARG 26 far 0 87 0 - 8.8-53.0 HA GLU 25 - HG2 ARG 17 far 0 46 0 - 9.4-19.4 HA GLU 25 - HG3 ARG 17 far 0 47 0 - 9.4-19.4 HA ALA 30 - HG2 ARG 17 far 0 60 0 - 9.6-27.1 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 2.2-3.0 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 2.5-3.0 2.9=74, 3.0/1419=14...(56) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.3-3.0 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 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 47 52 100 91 2.2-3.0 3.0=69, 3.0/2900=12...(30) HB3 ARG 26 + HG2 ARG 26 OK 45 49 100 91 2.3-3.0 3.0=69, 3.0/2900=12...(30) HB2 ARG 26 - HG2 ARG 27 poor 13 65 20 - 3.9-7.2 HB2 ARG 71 - HG3 ARG 70 far 11 71 15 - 3.8-7.4 HB3 ARG 23 - HG3 ARG 27 far 5 100 5 - 3.9-9.9 HB2 ARG 66 - HG3 ARG 70 far 5 46 10 - 3.3-10.3 HB3 ARG 27 - HG2 ARG 26 far 4 88 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 4 88 5 - 3.7-8.1 HB3 ARG 71 - HG3 ARG 70 far 4 71 5 - 3.7-8.3 HB2 ARG 26 - HG3 ARG 27 far 3 65 5 - 4.0-7.2 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 4.5-7.9 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.6-9.3 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.6-7.2 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.6-11.1 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 66 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.7-12.2 HB3 PRO 34 - HG3 ARG 17 far 0 59 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.0-27.1 HB2 LYS 39 - HG2 ARG 17 far 0 80 0 - 8.4-28.2 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 9.1-29.9 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 9.2-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 44 0 - 9.3-23.2 HB2 ARG 23 - HG3 ARG 70 far 0 69 0 - 9.4-18.2 HB3 ARG 26 - HG3 ARG 17 far 0 45 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 83 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 88 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 47 0 - 9.9-21.2 HB2 LYS 75 - HG2 ARG 27 far 0 97 0 - 10.0-22.9 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 2.2-3.0 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 2.5-3.0 2.9=74, 3.0/1419=14...(56) HB3 ARG 27 + HG2 ARG 27 OK 96 100 100 96 2.3-3.0 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 2.3-3.0 2.9=71, 1.8/1167=20...(26) HB2 ARG 26 + HG2 ARG 26 OK 49 54 100 91 2.2-3.0 3.0=69, 3.0/2900=12...(30) HB3 ARG 26 + HG2 ARG 26 OK 47 52 100 91 2.3-3.0 3.0=69, 3.0/2900=12...(30) HB2 ARG 26 - HG2 ARG 27 poor 14 68 20 - 3.9-7.2 HB2 ARG 71 - HG3 ARG 70 far 11 71 15 - 3.8-7.4 HB3 ARG 23 - HG3 ARG 27 far 5 99 5 - 3.9-9.9 HB2 ARG 66 - HG3 ARG 70 far 5 48 10 - 3.3-10.3 HB3 ARG 27 - HG2 ARG 26 far 4 88 5 - 3.3-8.4 HB2 ARG 27 - HG2 ARG 26 far 4 88 5 - 3.7-8.1 HB3 ARG 71 - HG3 ARG 70 far 4 71 5 - 3.7-8.3 HB2 ARG 26 - HG3 ARG 27 far 3 68 5 - 4.0-7.2 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 4.5-7.9 HB3 ARG 23 - HG2 ARG 26 far 0 86 0 - 4.5-9.3 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-9.3 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.6-7.2 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.6-10.1 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.6-11.1 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.5-8.8 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-12.3 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-11.3 HB2 LYS 75 - HG3 ARG 70 far 0 65 0 - 7.3-13.1 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.7-12.2 HB3 PRO 34 - HG3 ARG 17 far 0 61 0 - 8.0-30.5 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.0-27.1 HB2 LYS 39 - HG2 ARG 17 far 0 80 0 - 8.4-28.2 HB3 PRO 34 - HG2 ARG 17 far 0 60 0 - 9.1-29.9 HB2 ARG 17 - HG2 ARG 26 far 0 78 0 - 9.2-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 46 0 - 9.3-23.2 HB2 ARG 23 - HG3 ARG 70 far 0 68 0 - 9.4-18.2 HB3 ARG 26 - HG3 ARG 17 far 0 47 0 - 9.4-22.9 HB2 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.4-16.1 HB2 LYS 75 - HG2 ARG 26 far 0 82 0 - 9.6-27.1 HB3 ARG 71 - HG2 ARG 26 far 0 88 0 - 9.7-17.8 HB2 ARG 26 - HG3 ARG 17 far 0 49 0 - 9.9-21.2 HB2 LYS 75 - HG2 ARG 27 far 0 97 0 - 10.0-22.9 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 44 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG3 ARG 27 far 10 100 10 - 3.6-12.1 HD2 ARG 26 - HG3 ARG 27 far 10 100 10 - 2.3-10.3 HD2 ARG 26 - HG2 ARG 27 far 10 100 10 - 3.1-10.1 HD3 ARG 26 - HG2 ARG 27 far 10 99 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 5 100 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 5 100 5 - 4.2-12.6 HD3 ARG 23 - HG2 ARG 27 far 5 100 5 - 4.3-11.5 HD3 ARG 26 - HG3 ARG 27 far 5 99 5 - 3.4-10.3 HD2 ARG 71 - HG3 ARG 70 far 4 35 10 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 67 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 5.6-13.1 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.7-10.5 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 63 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 52 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 84 0 - 7.2-23.7 HD3 ARG 17 - HG2 ARG 26 far 0 84 0 - 7.5-23.8 HD2 ARG 84 - HG3 ARG 70 far 0 48 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 71 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 50 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 41 0 - 8.4-28.9 HD2 ARG 71 - HG2 ARG 26 far 0 47 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 42 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 70 0 - 9.7-19.6 Violated in 0 structures by 0.00 A. Peak 1453 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.06 A): 10 out of 44 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG3 ARG 27 far 10 100 10 - 3.6-12.1 HD2 ARG 26 - HG3 ARG 27 far 10 100 10 - 2.3-10.3 HD2 ARG 26 - HG2 ARG 27 far 10 100 10 - 3.1-10.1 HD3 ARG 26 - HG2 ARG 27 far 10 99 10 - 3.3-10.6 HD2 ARG 23 - HG2 ARG 27 far 5 100 5 - 3.6-11.5 HD2 ARG 23 - HG3 ARG 27 far 5 100 5 - 4.2-12.6 HD3 ARG 23 - HG2 ARG 27 far 5 100 5 - 4.3-11.5 HD3 ARG 26 - HG3 ARG 27 far 5 99 5 - 3.4-10.3 HD2 ARG 71 - HG3 ARG 70 far 4 35 10 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 67 5 - 4.5-43.6 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.7-13.8 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 5.2-11.5 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.3-10.9 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 5.6-13.1 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 5.7-10.6 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.7-10.5 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 63 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 88 0 - 6.2-10.5 HD3 ARG 84 - HG3 ARG 70 far 0 52 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 84 0 - 7.2-23.7 HD3 ARG 17 - HG2 ARG 26 far 0 84 0 - 7.5-23.8 HD2 ARG 84 - HG3 ARG 70 far 0 48 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 71 0 - 8.0-16.6 HD2 ARG 82 - HG3 ARG 70 far 0 50 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 41 0 - 8.4-28.9 HD2 ARG 71 - HG2 ARG 26 far 0 47 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 71 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 42 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 9.1-22.9 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 9.7-22.8 HD3 ARG 23 - HG3 ARG 70 far 0 70 0 - 9.7-19.6 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (4.12, 3.17, 43.10 ppm; 4.47 A): 7 out of 38 assignments used, quality = 1.00: * HA ARG 27 + HD2 ARG 27 OK 100 100 100 100 2.3-5.5 5.4=58, 1419/3.0=38...(58) HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.8 5.4=58, 1419/3.0=38...(58) HA ARG 23 + HD3 ARG 23 OK 95 96 100 100 2.4-4.7 1285/2.9=70, 5.2=63...(34) HA ARG 23 + HD2 ARG 23 OK 95 96 100 100 2.6-5.4 1285/2.9=70, 5.2=63...(34) HA ARG 23 + HD2 ARG 26 OK 29 96 85 36 2.7-6.4 5341/6.1=14, 1439/3.0=7...(7) HA ARG 23 + HD3 ARG 26 OK 28 95 85 35 2.0-6.8 5341/6.1=14, 1439/3.0=7...(7) HA ARG 27 + HD3 ARG 26 OK 22 99 25 89 2.8-7.9 ~65=32, 5345/6.1=18...(17) HA ARG 23 - HD3 ARG 27 far 14 97 15 - 5.5-9.0 HA ARG 27 - HD2 ARG 26 far 10 100 10 - 3.5-7.9 HA GLU 25 - HD2 ARG 27 far 7 65 10 - 5.4-9.1 HA ASN 49 - HD3 ARG 66 poor 6 30 20 - 4.6-11.4 HA ARG 27 - HD2 ARG 23 far 5 100 5 - 5.2-11.8 HA ARG 23 - HD2 ARG 71 far 3 54 5 - 5.7-17.9 HA ASN 49 - HD2 ARG 66 far 1 28 5 - 5.8-9.8 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 6.3-10.5 HA ARG 23 - HD2 ARG 27 far 0 97 0 - 6.4-10.4 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 6.5-8.6 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.5-9.1 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 6.5-11.5 HB THR 88 - HD2 ARG 84 far 0 77 0 - 6.5-18.5 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.7-10.4 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.8-11.2 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 7.0-8.3 HA ARG 23 - HD3 ARG 84 far 0 76 0 - 7.0-41.7 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 7.1-11.0 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 7.1-16.8 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 7.5-16.2 HA ARG 23 - HD2 ARG 84 far 0 72 0 - 8.0-42.3 HB THR 88 - HD3 ARG 84 far 0 82 0 - 8.1-18.7 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 8.2-10.8 HA GLU 25 - HD3 ARG 84 far 0 47 0 - 8.4-38.9 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 8.7-18.9 HA ALA 30 - HD2 ARG 23 far 0 82 0 - 8.8-16.0 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 9.0-10.8 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 9.3-27.3 HA ASN 49 - HD2 ARG 82 far 0 51 0 - 9.5-36.7 HA GLN 91 - HD2 ARG 71 far 0 46 0 - 9.5-53.4 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 9.9-27.5 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 88 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.2-3.6 3.5=52, 1287/2.9=23...(33) HB3 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.1-4.2 3.5=51, 1448/3.0=8...(58) * HB2 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.3-4.0 3.5=51, 1448/3.0=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.0-3.8 3.5=51, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.2-4.2 3.5=51, 3.0/1421=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.0-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.3-3.7 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 85 91 100 94 2.1-3.9 3.6=49, 1160/1.8=18...(42) HB2 ARG 17 + HD3 ARG 17 OK 85 91 100 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB2 ARG 26 + HD2 ARG 26 OK 58 64 100 90 2.7-3.8 3.5=55, 3.9/532=9...(50) HB2 ARG 26 + HD3 ARG 26 OK 57 64 100 90 2.2-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD2 ARG 26 OK 56 62 100 90 2.1-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD3 ARG 26 OK 55 61 100 90 2.0-3.7 3.5=55, 3.9/532=9...(50) HB2 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.0-4.2 3.5=52, 3.0/2902=14...(30) HB3 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.1-4.2 3.5=52, 3.0/2902=14...(29) HB2 ARG 66 + HD3 ARG 66 OK 26 30 100 87 2.1-3.8 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 24 28 100 87 2.0-4.0 3.4=55, ~2701=13...(18) HB3 ARG 23 - HD3 ARG 26 far 10 99 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 99 5 - 4.1-8.9 HB2 ARG 26 - HD2 ARG 23 far 3 65 5 - 4.3-9.9 HB3 ARG 23 - HD2 ARG 71 far 3 59 5 - 4.1-16.0 HB2 ARG 23 - HD2 ARG 71 far 3 58 5 - 3.5-16.2 HB2 ARG 66 - HD2 ARG 82 far 3 51 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 4.5-10.1 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-14.3 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 65 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 47 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 45 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 52 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 44 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 56 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 42 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 97 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 40 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 97 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 48 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 81 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 52 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 31 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 59 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 76 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 59 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 76 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 81 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 48 0 - 9.6-14.1 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 83 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 43 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 97 0 - 10.0-23.8 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 86 assignments used, quality = 1.00: * HB3 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.1-4.2 3.5=51, 1448/3.0=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.3-4.0 3.5=51, 1448/3.0=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.0-3.8 3.5=51, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.2-4.2 3.5=51, 3.0/1421=8...(58) HB3 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.2-3.6 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD3 ARG 23 OK 92 99 100 94 2.0-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 92 99 100 94 2.3-3.7 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 84 89 100 94 2.1-3.9 3.6=49, 1160/1.8=18...(42) HB2 ARG 17 + HD3 ARG 17 OK 84 89 100 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB2 ARG 26 + HD2 ARG 26 OK 60 67 100 90 2.7-3.8 3.5=55, 3.9/532=9...(50) HB2 ARG 26 + HD3 ARG 26 OK 60 66 100 90 2.2-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD2 ARG 26 OK 58 64 100 90 2.1-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD3 ARG 26 OK 57 64 100 90 2.0-3.7 3.5=55, 3.9/532=9...(50) HB3 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.1-4.2 3.5=52, 3.0/2902=14...(29) HB2 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.0-4.2 3.5=52, 3.0/2902=14...(30) HB2 ARG 66 + HD3 ARG 66 OK 27 31 100 87 2.1-3.8 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 25 29 100 87 2.0-4.0 3.4=55, ~2701=13...(18) HB3 ARG 23 - HD3 ARG 26 far 10 98 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 99 5 - 4.1-8.9 HB2 ARG 26 - HD2 ARG 23 far 3 67 5 - 4.3-9.9 HB3 ARG 23 - HD2 ARG 71 far 3 58 5 - 4.1-16.0 HB2 ARG 23 - HD2 ARG 71 far 3 58 5 - 3.5-16.2 HB2 ARG 66 - HD2 ARG 82 far 3 53 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 0 68 0 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 4.5-10.1 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-14.3 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 68 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 50 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 47 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 51 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 46 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 58 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 44 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 96 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 8.1-30.5 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 96 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 48 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 80 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 54 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 32 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 61 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 92 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 76 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 61 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 76 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 81 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 48 0 - 9.6-14.1 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 83 0 - 9.9-34.6 HB2 LYS 75 - HD2 ARG 27 far 0 97 0 - 10.0-23.8 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 73 assignments used, quality = 1.00: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) * HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 93 96 100 96 2.2-3.0 3.0=92, 3.7/1364=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 3.7/1364=7...(22) HG3 ARG 17 + HD2 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 50 53 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(21) HG3 ARG 27 - HD2 ARG 26 far 10 100 10 - 2.3-10.3 HG2 ARG 27 - HD2 ARG 26 far 10 100 10 - 3.1-10.1 HG2 ARG 27 - HD3 ARG 26 far 10 99 10 - 3.3-10.6 HB2 LEU 86 - HD2 ARG 84 far 6 63 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 23 far 5 100 5 - 3.6-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 100 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 100 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 23 far 5 100 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 26 far 5 99 5 - 3.4-10.3 HG3 ARG 70 - HD2 ARG 71 far 4 45 10 - 3.9-8.4 HG2 ARG 26 - HD3 ARG 84 far 0 77 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-13.8 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.6-13.1 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 5.8-16.1 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 73 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 6.2-12.6 HG3 ARG 70 - HD3 ARG 84 far 0 64 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 55 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 94 0 - 7.2-23.7 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 94 0 - 7.5-23.8 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 69 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 55 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 60 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 85 0 - 8.0-16.6 HG3 ARG 70 - HD2 ARG 82 far 0 58 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 8.1-22.2 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 52 0 - 8.4-28.9 HB2 LEU 86 - HD2 ARG 26 far 0 87 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 55 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 87 0 - 8.7-48.7 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 8.7-11.9 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 85 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 53 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-22.9 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.3-11.9 HD3 LYS 73 - HD3 ARG 66 far 0 33 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 60 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 84 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 33 0 - 10.0-16.7 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 73 assignments used, quality = 1.00: * HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.2-3.0 3.0=92, 3.7/1364=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 91 95 100 96 2.3-3.0 3.0=92, 3.7/1364=7...(22) HG3 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG3 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 86 89 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 49 52 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(21) HG3 ARG 27 - HD2 ARG 26 far 10 100 10 - 2.3-10.3 HG2 ARG 27 - HD2 ARG 26 far 10 100 10 - 3.1-10.1 HG2 ARG 27 - HD3 ARG 26 far 10 99 10 - 3.3-10.6 HB2 LEU 86 - HD2 ARG 84 far 6 62 10 - 3.9-10.7 HG3 ARG 27 - HD3 ARG 23 far 5 100 5 - 3.6-12.1 HG2 ARG 27 - HD2 ARG 23 far 5 100 5 - 3.6-11.5 HG3 ARG 27 - HD2 ARG 23 far 5 100 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 23 far 5 100 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 26 far 5 99 5 - 3.4-10.3 HG3 ARG 70 - HD2 ARG 71 far 4 43 10 - 3.9-8.4 HG2 ARG 26 - HD3 ARG 84 far 0 76 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-13.8 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.6-13.1 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 5.8-16.1 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 72 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 6.2-12.6 HG3 ARG 70 - HD3 ARG 84 far 0 62 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 53 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 60 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 7.2-23.7 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 7.5-23.8 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 68 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 53 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 58 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 83 0 - 8.0-16.6 HG3 ARG 70 - HD2 ARG 82 far 0 56 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 51 0 - 8.4-28.9 HB2 LEU 86 - HD2 ARG 26 far 0 86 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 54 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 85 0 - 8.7-48.7 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 8.7-11.9 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 83 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 52 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.3-11.9 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 58 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 82 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 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): 7 out of 38 assignments used, quality = 1.00: HA ARG 27 + HD2 ARG 27 OK 100 100 100 100 2.3-5.5 5.4=58, 1419/3.0=38...(58) * HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.8 5.4=58, 1419/3.0=38...(58) HA ARG 23 + HD3 ARG 23 OK 95 96 100 100 2.4-4.7 1285/2.9=70, 5.2=63...(34) HA ARG 23 + HD2 ARG 23 OK 95 96 100 100 2.6-5.4 1285/2.9=70, 5.2=63...(34) HA ARG 23 + HD2 ARG 26 OK 29 96 85 36 2.7-6.4 5341/6.1=14, 1439/3.0=7...(7) HA ARG 23 + HD3 ARG 26 OK 28 95 85 35 2.0-6.8 5341/6.1=14, 1439/3.0=7...(7) HA ARG 27 + HD3 ARG 26 OK 22 99 25 89 2.8-7.9 ~65=32, 5345/6.1=18...(17) HA ARG 23 - HD3 ARG 27 far 14 97 15 - 5.5-9.0 HA ARG 27 - HD2 ARG 26 far 10 100 10 - 3.5-7.9 HA GLU 25 - HD2 ARG 27 far 7 65 10 - 5.4-9.1 HA ASN 49 - HD3 ARG 66 poor 6 30 20 - 4.6-11.4 HA ARG 27 - HD2 ARG 23 far 5 100 5 - 5.2-11.8 HA ARG 23 - HD2 ARG 71 far 3 54 5 - 5.7-17.9 HA ASN 49 - HD2 ARG 66 far 1 28 5 - 5.8-9.8 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 6.3-10.5 HA ARG 23 - HD2 ARG 27 far 0 97 0 - 6.4-10.4 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 6.5-8.6 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.5-9.1 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 6.5-11.5 HB THR 88 - HD2 ARG 84 far 0 77 0 - 6.5-18.5 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.7-10.4 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.8-11.2 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 7.0-8.3 HA ARG 23 - HD3 ARG 84 far 0 76 0 - 7.0-41.7 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 7.1-11.0 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 7.1-16.8 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 7.5-16.2 HA ARG 23 - HD2 ARG 84 far 0 72 0 - 8.0-42.3 HB THR 88 - HD3 ARG 84 far 0 82 0 - 8.1-18.7 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 8.2-10.8 HA GLU 25 - HD3 ARG 84 far 0 47 0 - 8.4-38.9 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 8.7-18.9 HA ALA 30 - HD2 ARG 23 far 0 82 0 - 8.8-16.0 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 9.0-10.8 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 9.3-27.3 HA ASN 49 - HD2 ARG 82 far 0 51 0 - 9.5-36.7 HA GLN 91 - HD2 ARG 71 far 0 46 0 - 9.5-53.4 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 9.9-27.5 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 88 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.2-3.6 3.5=52, 1287/2.9=23...(33) HB3 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.1-4.2 3.5=51, 1448/3.0=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.3-4.0 3.5=51, 1448/3.0=8...(58) HB3 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.0-3.8 3.5=51, 3.0/1421=8...(58) * HB2 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.2-4.2 3.5=51, 3.0/1421=8...(58) HB2 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.0-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.3-3.7 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 85 91 100 94 2.1-3.9 3.6=49, 1160/1.8=18...(42) HB2 ARG 17 + HD3 ARG 17 OK 85 91 100 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB2 ARG 26 + HD2 ARG 26 OK 58 64 100 90 2.7-3.8 3.5=55, 3.9/532=9...(50) HB2 ARG 26 + HD3 ARG 26 OK 57 64 100 90 2.2-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD2 ARG 26 OK 56 62 100 90 2.1-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD3 ARG 26 OK 55 61 100 90 2.0-3.7 3.5=55, 3.9/532=9...(50) HB2 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.0-4.2 3.5=52, 3.0/2902=14...(30) HB3 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.1-4.2 3.5=52, 3.0/2902=14...(29) HB2 ARG 66 + HD3 ARG 66 OK 26 30 100 87 2.1-3.8 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 24 28 100 87 2.0-4.0 3.4=55, ~2701=13...(18) HB3 ARG 23 - HD3 ARG 26 far 10 99 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 99 5 - 4.1-8.9 HB2 ARG 26 - HD2 ARG 23 far 3 65 5 - 4.3-9.9 HB3 ARG 23 - HD2 ARG 71 far 3 59 5 - 4.1-16.0 HB2 ARG 23 - HD2 ARG 71 far 3 58 5 - 3.5-16.2 HB2 ARG 66 - HD2 ARG 82 far 3 51 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 4.5-10.1 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-14.3 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 65 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 47 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 45 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 52 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 44 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 56 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 42 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 97 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 40 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 97 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 48 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 81 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 52 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 31 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 59 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 76 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 59 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 76 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 81 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 48 0 - 9.6-14.1 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 83 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 43 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 97 0 - 10.0-23.8 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 86 assignments used, quality = 1.00: HB3 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.1-4.2 3.5=51, 1448/3.0=8...(58) HB2 ARG 27 + HD2 ARG 27 OK 93 100 100 93 2.3-4.0 3.5=51, 1448/3.0=8...(58) * HB3 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.0-3.8 3.5=51, 3.0/1421=8...(58) HB2 ARG 27 + HD3 ARG 27 OK 93 100 100 93 2.2-4.2 3.5=51, 3.0/1421=8...(58) HB3 ARG 23 + HD2 ARG 23 OK 93 99 100 94 2.1-3.9 3.5=52, 1287/2.9=23...(33) HB3 ARG 23 + HD3 ARG 23 OK 93 99 100 94 2.2-3.6 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD3 ARG 23 OK 92 99 100 94 2.0-3.9 3.5=52, 1287/2.9=23...(33) HB2 ARG 23 + HD2 ARG 23 OK 92 99 100 94 2.3-3.7 3.5=52, 1287/2.9=23...(33) HB2 ARG 17 + HD2 ARG 17 OK 84 89 100 94 2.1-3.9 3.6=49, 1160/1.8=18...(42) HB2 ARG 17 + HD3 ARG 17 OK 84 89 100 94 2.1-3.8 3.6=49, 1160/1.8=18...(42) HB2 ARG 26 + HD2 ARG 26 OK 60 67 100 90 2.7-3.8 3.5=55, 3.9/532=9...(50) HB2 ARG 26 + HD3 ARG 26 OK 60 66 100 90 2.2-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD2 ARG 26 OK 58 64 100 90 2.1-4.2 3.5=55, 3.9/532=9...(50) HB3 ARG 26 + HD3 ARG 26 OK 57 64 100 90 2.0-3.7 3.5=55, 3.9/532=9...(50) HB3 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.1-4.2 3.5=52, 3.0/2902=14...(29) HB2 ARG 71 + HD2 ARG 71 OK 52 60 100 86 2.0-4.2 3.5=52, 3.0/2902=14...(30) HB2 ARG 66 + HD3 ARG 66 OK 27 31 100 87 2.1-3.8 3.4=55, ~2701=13...(18) HB2 ARG 66 + HD2 ARG 66 OK 25 29 100 87 2.0-4.0 3.4=55, ~2701=13...(18) HB3 ARG 23 - HD3 ARG 26 far 10 98 10 - 3.9-8.8 HB2 ARG 27 - HD2 ARG 26 far 5 100 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 26 far 5 99 5 - 4.1-8.9 HB2 ARG 26 - HD2 ARG 23 far 3 67 5 - 4.3-9.9 HB3 ARG 23 - HD2 ARG 71 far 3 58 5 - 4.1-16.0 HB2 ARG 23 - HD2 ARG 71 far 3 58 5 - 3.5-16.2 HB2 ARG 66 - HD2 ARG 82 far 3 53 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 0 68 0 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 4.5-10.1 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 4.5-15.2 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-9.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-14.3 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 68 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 50 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 47 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 51 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 46 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 58 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 44 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 96 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 8.1-30.5 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 96 0 - 8.4-25.7 HB2 ARG 71 - HD3 ARG 66 far 0 48 0 - 8.6-12.8 HB2 ARG 23 - HD3 ARG 84 far 0 80 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 54 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 32 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 61 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.3-20.4 HB2 ARG 17 - HD2 ARG 26 far 0 92 0 - 9.4-20.4 HB2 ARG 23 - HD2 ARG 84 far 0 76 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 61 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 76 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 81 0 - 9.6-40.8 HB3 ARG 71 - HD3 ARG 66 far 0 48 0 - 9.6-14.1 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 98 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 83 0 - 9.9-34.6 HB2 LYS 75 - HD2 ARG 27 far 0 97 0 - 10.0-23.8 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 73 assignments used, quality = 1.00: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) * HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 93 96 100 96 2.2-3.0 3.0=92, 3.7/1364=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 3.7/1364=7...(22) HG3 ARG 17 + HD2 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 89 92 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG2 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 50 53 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(21) HG3 ARG 27 - HD2 ARG 26 far 10 100 10 - 2.3-10.3 HG2 ARG 27 - HD2 ARG 26 far 10 100 10 - 3.1-10.1 HG2 ARG 27 - HD3 ARG 26 far 10 99 10 - 3.3-10.6 HB2 LEU 86 - HD2 ARG 84 far 6 63 10 - 3.9-10.7 HG2 ARG 27 - HD2 ARG 23 far 5 100 5 - 3.6-11.5 HG3 ARG 27 - HD3 ARG 23 far 5 100 5 - 3.6-12.1 HG3 ARG 27 - HD2 ARG 23 far 5 100 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 23 far 5 100 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 26 far 5 99 5 - 3.4-10.3 HG3 ARG 70 - HD2 ARG 71 far 4 45 10 - 3.9-8.4 HG2 ARG 26 - HD3 ARG 84 far 0 77 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-13.8 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.6-13.1 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 5.8-16.1 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 73 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 6.2-12.6 HG3 ARG 70 - HD3 ARG 84 far 0 64 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 55 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 94 0 - 7.2-23.7 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 94 0 - 7.5-23.8 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 69 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 55 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 60 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 85 0 - 8.0-16.6 HG3 ARG 70 - HD2 ARG 82 far 0 58 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 8.1-22.2 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 52 0 - 8.4-28.9 HB2 LEU 86 - HD2 ARG 26 far 0 87 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 55 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 87 0 - 8.7-48.7 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 8.7-11.9 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 85 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 53 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-22.9 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.3-11.9 HD3 LYS 73 - HD3 ARG 66 far 0 33 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 60 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 84 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 33 0 - 10.0-16.7 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 73 assignments used, quality = 1.00: HG3 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) * HG3 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD3 ARG 27 OK 97 100 100 97 2.2-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 27 + HD2 ARG 27 OK 97 100 100 97 2.4-3.0 3.0=91, 1419/5.4=7...(49) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.2-3.0 3.0=92, 3.7/1364=7...(22) HG2 ARG 26 + HD3 ARG 26 OK 91 95 100 96 2.3-3.0 3.0=92, 3.7/1364=7...(22) HG3 ARG 17 + HD2 ARG 17 OK 88 91 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) HG3 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 86 89 100 97 2.3-3.0 3.0=89, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 49 52 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(21) HG3 ARG 27 - HD2 ARG 26 far 10 100 10 - 2.3-10.3 HG2 ARG 27 - HD2 ARG 26 far 10 100 10 - 3.1-10.1 HG2 ARG 27 - HD3 ARG 26 far 10 99 10 - 3.3-10.6 HB2 LEU 86 - HD2 ARG 84 far 6 62 10 - 3.9-10.7 HG3 ARG 27 - HD3 ARG 23 far 5 100 5 - 3.6-12.1 HG2 ARG 27 - HD2 ARG 23 far 5 100 5 - 3.6-11.5 HG3 ARG 27 - HD2 ARG 23 far 5 100 5 - 4.2-12.6 HG2 ARG 27 - HD3 ARG 23 far 5 100 5 - 4.3-11.5 HG3 ARG 27 - HD3 ARG 26 far 5 99 5 - 3.4-10.3 HG3 ARG 70 - HD2 ARG 71 far 4 43 10 - 3.9-8.4 HG2 ARG 26 - HD3 ARG 84 far 0 76 0 - 4.5-43.6 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.7-13.8 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 5.2-11.5 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 5.6-13.1 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 5.7-10.6 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 5.8-16.1 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 72 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 97 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 6.2-12.6 HG3 ARG 70 - HD3 ARG 84 far 0 62 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 53 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 60 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 7.2-23.7 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 7.5-23.8 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 7.6-15.9 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 7.6-13.7 HG2 ARG 71 - HD2 ARG 82 far 0 68 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 53 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 58 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 83 0 - 8.0-16.6 HG3 ARG 70 - HD2 ARG 82 far 0 56 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.1-22.2 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 8.3-13.7 HG2 ARG 17 - HD2 ARG 71 far 0 51 0 - 8.4-28.9 HB2 LEU 86 - HD2 ARG 26 far 0 86 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 54 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 85 0 - 8.7-48.7 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 8.7-11.9 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 83 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 52 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 9.1-22.9 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 9.3-11.1 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.3-12.2 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.3-11.9 HD3 LYS 73 - HD3 ARG 66 far 0 31 0 - 9.5-16.7 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.7-16.5 HD2 LYS 73 - HD3 ARG 84 far 0 58 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 82 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.7-13.6 HD2 LYS 73 - HD3 ARG 66 far 0 31 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 + HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 + HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 + HD2 ARG 71 OK 29 29 - 100 Reference assignment not found: HD2 ARG 27 - HD3 ARG 27 Peak 1469 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 * HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 + HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 + HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 + HD2 ARG 71 OK 29 29 - 100 Peak 1470 from cnoeabs.peaks (8.21, 3.96, 54.22 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 25 - HA ALA 28 far 0 96 0 - 7.2-8.0 H THR 15 - HA ALA 28 far 0 98 0 - 9.3-21.2 H SER 22 - HA ALA 28 far 0 100 0 - 9.7-12.8 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 5 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 - 5.6-18.0 HG3 LYS 32 - HA ALA 28 far 0 97 0 - 7.4-8.6 QB ALA 12 - HA ALA 28 far 0 99 0 - 8.7-25.6 QG2 THR 58 - HA ALA 28 far 0 68 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (8.21, 1.34, 17.80 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.3 2.9=100 H GLU 25 - QB ALA 28 far 5 96 5 - 4.4-5.6 H SER 22 - QB ALA 28 far 0 100 0 - 6.5-9.7 H THR 15 - QB ALA 28 far 0 98 0 - 7.0-17.1 Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (3.96, 1.34, 17.80 ppm; 3.03 A): 2 out of 11 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 OK 27 78 60 58 3.9-5.2 3.2/6128=40...(7) HA LYS 32 - QB ALA 28 far 0 85 0 - 4.8-6.6 HA3 GLY 18 - QB ALA 28 far 0 60 0 - 5.2-15.8 HA3 GLY 21 - QB ALA 28 far 0 99 0 - 5.3-10.6 HA2 GLY 18 - QB ALA 28 far 0 57 0 - 6.0-16.2 HA GLN 61 - QB ALA 28 far 0 99 0 - 6.4-7.8 HA2 GLY 21 - QB ALA 28 far 0 99 0 - 6.6-10.9 HA2 GLY 72 - QB ALA 28 far 0 100 0 - 7.7-9.3 HA ARG 66 - QB ALA 28 far 0 85 0 - 8.1-9.7 HA VAL 76 - QB ALA 28 far 0 97 0 - 9.3-18.6 Violated in 0 structures by 0.00 A. Peak 1475 from cnoeabs.peaks (1.34, 1.34, 17.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 28 + QB ALA 28 OK 100 100 - 100 Peak 1476 from cnoeabs.peaks (7.95, 4.16, 56.71 ppm; 3.36 A): 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 76 97 100 78 2.9-4.1 4205=28, 89/5526=27...(9) H VAL 76 - HA LYS 73 poor 19 88 35 62 3.2-9.6 5431=29, 813/15432=23...(11) H ARG 70 - HA LYS 73 far 0 91 0 - 6.3-8.1 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): 4 out of 12 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HA ARG 84 OK 59 59 100 100 2.4-3.0 3.0=100 HB3 LYS 83 + HA ARG 84 OK 30 64 80 58 4.1-5.7 6062=20, 842/3.0=17...(8) HB3 LYS 85 + HA ARG 84 OK 27 63 80 55 4.1-5.0 6062=22, 4.0/377=19...(8) HB2 ARG 82 - HA ARG 84 far 0 43 0 - 4.9-7.4 HB3 ARG 17 - HA LEU 29 far 0 65 0 - 6.0-24.1 HG2 ARG 70 - HA LYS 73 far 0 88 0 - 7.6-10.1 HB2 LEU 43 - HA LYS 73 far 0 88 0 - 9.1-12.8 HB3 LYS 83 - HA LYS 73 far 0 91 0 - 9.2-26.6 HB3 LEU 64 - HA LEU 29 far 0 85 0 - 9.3-10.8 HB2 LEU 29 - HA ARG 84 far 0 64 0 - 9.5-43.8 HG2 ARG 70 - HA ARG 84 far 0 61 0 - 9.6-32.5 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 7 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 ARG 84 + HA ARG 84 OK 55 56 100 99 2.2-4.0 3.9=59, 3402/3.0=28...(45) HG3 ARG 84 + HA ARG 84 OK 55 56 100 99 3.0-3.9 3.9=59, 3394/3.0=28...(45) HB3 LEU 86 - HA LEU 29 far 4 89 5 - 4.6-47.1 HB3 LEU 86 - HA ARG 84 far 0 51 0 - 5.0-9.9 HG LEU 86 - HA ARG 84 far 0 50 0 - 5.2-10.5 HG LEU 86 - HA LEU 29 far 0 87 0 - 5.4-48.9 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 10 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 3.5-3.7 3.7=76, 1499/3.0=70...(27) HD3 LYS 13 - HA LEU 29 poor 20 98 20 - 3.9-27.3 HD2 LYS 13 - HA LEU 29 far 15 98 15 - 3.3-27.5 HB3 LYS 13 - HA LEU 29 far 5 99 5 - 4.7-28.0 HD2 LYS 75 - HA LYS 73 far 4 86 5 - 4.7-9.9 HB2 ARG 82 - HA ARG 84 far 0 46 0 - 4.9-7.4 HD3 LYS 75 - HA LYS 73 far 0 86 0 - 5.2-10.2 HB3 GLN 61 - HA LEU 29 far 0 92 0 - 8.4-11.0 HB3 LEU 64 - HA LEU 29 far 0 76 0 - 9.3-10.8 HG2 ARG 23 - HA LEU 29 far 0 100 0 - 9.6-14.6 Violated in 20 structures by 0.21 A. Peak 1481 from cnoeabs.peaks (0.88, 4.16, 56.71 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 3.6-4.1 1505=68, 2.1/1480=68...(23) QD1 LEU 86 - HA LEU 29 far 5 99 5 - 2.7-41.4 QD1 LEU 86 - HA ARG 84 far 3 61 5 - 4.1-9.5 QG1 VAL 90 - HA LEU 29 far 0 83 0 - 5.0-47.8 QD1 LEU 29 - HA ARG 84 far 0 64 0 - 7.4-35.6 QG2 VAL 90 - HA LEU 29 far 0 85 0 - 7.5-49.4 Violated in 20 structures by 0.41 A. Peak 1482 from cnoeabs.peaks (0.84, 4.16, 56.71 ppm; 3.19 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 1.9-3.8 1512=79, 2.1/1480=59...(33) QG2 ILE 89 - HA LEU 29 far 5 100 5 - 3.2-46.6 QD2 LEU 86 - HA LEU 29 far 5 96 5 - 4.1-40.7 QD2 LEU 86 - HA ARG 84 far 0 57 0 - 5.4-8.9 QD2 LEU 64 - HA LEU 29 far 0 100 0 - 5.6-6.6 QD2 LEU 29 - HA ARG 84 far 0 64 0 - 9.5-34.0 QD1 LEU 43 - HA LYS 73 far 0 79 0 - 9.6-12.6 Violated in 9 structures by 0.17 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 2.2-3.5 546=100, 547/1.8=74...(14) H LYS 32 - HB2 LEU 29 poor 19 97 20 - 4.7-6.1 Violated in 4 structures by 0.03 A. Peak 1484 from cnoeabs.peaks (4.16, 1.72, 41.88 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.3-3.0 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...(22) HA ILE 89 - HB2 LEU 29 far 0 98 0 - 5.5-54.8 HB THR 15 - HB2 LEU 29 far 0 99 0 - 5.7-22.9 HA ARG 84 - HB2 LEU 29 far 0 73 0 - 9.5-43.8 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 4 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 86 - HB2 LEU 29 far 0 87 0 - 4.2-50.4 HB3 LEU 86 - HB2 LEU 29 far 0 89 0 - 4.3-48.6 HG2 ARG 84 - HB2 LEU 29 far 0 95 0 - 10.0-42.9 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 6 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.3-2.8 1499=100, 1500/1.8=59...(24) HD2 LYS 13 - HB2 LEU 29 far 10 98 10 - 3.3-27.2 HD3 LYS 13 - HB2 LEU 29 far 5 98 5 - 3.3-27.1 HB3 LYS 13 - HB2 LEU 29 far 0 99 0 - 5.0-27.5 HG2 ARG 23 - HB2 LEU 29 far 0 100 0 - 8.0-13.7 HB3 LEU 64 - HB2 LEU 29 far 0 76 0 - 9.6-12.1 Violated in 9 structures by 0.11 A. Peak 1488 from cnoeabs.peaks (0.88, 1.72, 41.88 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.9-3.0 3.1=100 QD1 LEU 86 - HB2 LEU 29 far 5 99 5 - 2.0-42.6 QG1 VAL 90 - HB2 LEU 29 far 0 83 0 - 6.6-48.5 QG2 VAL 90 - HB2 LEU 29 far 0 85 0 - 8.9-50.0 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 4 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 86 - HB2 LEU 29 far 5 96 5 - 2.0-42.0 QG2 ILE 89 - HB2 LEU 29 far 0 100 0 - 5.3-48.0 QD2 LEU 64 - HB2 LEU 29 far 0 100 0 - 6.2-8.0 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 8 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 63 65 100 96 2.5-3.6 256/1.8=48, 4.6=43...(14) H LYS 32 - HB3 LEU 29 poor 17 97 35 50 4.7-5.7 4205/3.0=22, 79/82=19...(5) H LEU 29 - HB3 LEU 86 far 0 78 0 - 5.6-46.7 H ASP 67 - HB3 LEU 62 far 0 77 0 - 6.4-7.7 H LYS 32 - HB3 LEU 86 far 0 71 0 - 8.3-49.3 H ASP 67 - HB3 LEU 86 far 0 56 0 - 9.3-42.2 H ARG 70 - HB3 LEU 62 far 0 99 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (4.16, 1.58, 41.88 ppm; 3.41 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.2-2.6 3.0=100 HA ALA 30 + HB3 LEU 29 OK 42 71 60 98 4.1-5.6 3.0/82=49, ~4843=31...(22) HB THR 15 - HB3 LEU 29 far 5 99 5 - 4.4-24.6 HA ILE 89 - HB3 LEU 29 far 5 98 5 - 3.8-55.2 HA LEU 29 - HB3 LEU 86 far 4 78 5 - 4.6-47.1 HA ARG 84 - HB3 LEU 86 far 0 50 0 - 5.0-9.9 HA ILE 89 - HB3 LEU 86 far 0 73 0 - 5.4-10.6 HA ALA 53 - HB3 LEU 62 far 0 98 0 - 7.6-11.3 HA ARG 82 - HB3 LEU 86 far 0 64 0 - 8.0-15.4 HA ASN 49 - HB3 LEU 62 far 0 75 0 - 8.3-10.7 HA ARG 82 - HB3 LEU 62 far 0 87 0 - 8.8-35.3 HA ALA 30 - HB3 LEU 86 far 0 48 0 - 9.1-51.5 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 14 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB3 LEU 86 far 4 72 5 - 3.7-10.0 HG3 ARG 66 - HB3 LEU 62 lone 3 77 35 12 3.0-6.5 ~5373=3, ~5958=3...(4) HB2 LEU 29 - HB3 LEU 86 far 0 78 0 - 4.3-48.6 HB3 ARG 17 - HB3 LEU 29 far 0 65 0 - 4.8-24.4 HB3 LYS 85 - HB3 LEU 86 far 0 76 0 - 5.4-7.1 HB3 LYS 83 - HB3 LEU 86 far 0 78 0 - 7.6-13.4 HG2 ARG 70 - HB3 LEU 86 far 0 74 0 - 7.8-37.8 HB3 LEU 64 - HB3 LEU 62 far 0 81 0 - 7.8-9.2 HB2 ARG 82 - HB3 LEU 86 far 0 54 0 - 8.0-15.6 HB2 ARG 82 - HB3 LEU 62 far 0 75 0 - 8.1-37.6 HB2 ARG 84 - HB3 LEU 29 far 0 97 0 - 8.7-43.6 HB3 LYS 85 - HB3 LEU 29 far 0 99 0 - 8.9-46.0 HG2 ARG 70 - HB3 LEU 62 far 0 96 0 - 9.4-13.5 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 11 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.8-3.0 1500=100, 1499/1.8=71...(25) HD2 LYS 13 - HB3 LEU 29 poor 20 98 20 - 2.1-28.7 HD3 LYS 13 - HB3 LEU 29 poor 20 98 20 - 2.2-28.6 HG3 ARG 66 - HB3 LEU 62 lone 4 77 40 14 3.0-6.5 ~5373=4, ~5958=4...(5) HB3 LYS 13 - HB3 LEU 29 far 0 99 0 - 4.2-29.1 HB3 GLN 61 - HB3 LEU 62 far 0 89 0 - 5.7-6.9 HG LEU 29 - HB3 LEU 86 far 0 78 0 - 6.8-46.5 HB3 LEU 64 - HB3 LEU 62 far 0 72 0 - 7.8-9.2 HB2 ARG 82 - HB3 LEU 86 far 0 58 0 - 8.0-15.6 HB2 ARG 82 - HB3 LEU 62 far 0 79 0 - 8.1-37.6 HG2 ARG 23 - HB3 LEU 29 far 0 100 0 - 9.5-14.0 Violated in 20 structures by 0.30 A. Peak 1495 from cnoeabs.peaks (0.88, 1.58, 41.88 ppm; 3.01 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.9-2.8 3.1=90, 2.1/1500=71...(23) QD1 LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.3-3.1 3.1=90, 2600/3.0=40...(29) QD1 LEU 86 + HB3 LEU 86 OK 74 74 100 99 2.0-3.2 3.1=92, 2.1/3537=42...(24) QD1 LEU 86 - HB3 LEU 29 far 5 99 5 - 3.0-42.7 QD1 LEU 29 - HB3 LEU 86 far 0 78 0 - 5.1-40.4 QG1 VAL 90 - HB3 LEU 29 far 0 83 0 - 5.5-49.3 QD1 LEU 86 - HB3 LEU 62 far 0 96 0 - 6.2-39.5 QG1 VAL 90 - HB3 LEU 86 far 0 58 0 - 6.5-13.7 QG2 VAL 90 - HB3 LEU 29 far 0 85 0 - 7.8-50.9 QG2 VAL 90 - HB3 LEU 86 far 0 59 0 - 8.3-13.2 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (0.84, 1.58, 41.88 ppm; 3.29 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.0-3.0 3.1=100 QD2 LEU 86 + HB3 LEU 86 OK 70 70 100 100 2.3-3.2 3.1=100 QG2 ILE 89 - HB3 LEU 29 far 5 100 5 - 4.3-48.0 QD2 LEU 86 - HB3 LEU 29 far 5 96 5 - 2.8-42.0 QG2 ILE 89 - HB3 LEU 86 far 0 77 0 - 5.3-10.3 QD2 LEU 29 - HB3 LEU 86 far 0 78 0 - 5.6-38.4 QD2 LEU 64 - HB3 LEU 62 far 0 99 0 - 6.7-8.1 QD2 LEU 86 - HB3 LEU 62 far 0 93 0 - 6.8-38.4 QD2 LEU 64 - HB3 LEU 29 far 0 100 0 - 7.0-8.2 QD2 LEU 64 - HB3 LEU 86 far 0 78 0 - 9.1-37.6 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 1.8-3.1 548=100, 546/1499=82...(12) H LYS 32 - HG LEU 29 far 5 97 5 - 5.1-7.1 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 4 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 100 100 3.5-3.7 3.7=100 HA ALA 30 + HG LEU 29 OK 32 71 45 99 3.4-6.5 3.0/83=56, 4842=34...(18) HB THR 15 - HG LEU 29 far 5 99 5 - 5.1-23.2 HA ILE 89 - HG LEU 29 far 0 98 0 - 5.9-53.1 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 4 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.3-2.8 1487=86, 1.8/1500=53...(24) HB3 ARG 17 - HG LEU 29 far 0 65 0 - 7.3-23.3 HB3 LEU 64 - HG LEU 29 far 0 85 0 - 8.4-11.3 HB2 ARG 84 - HG LEU 29 far 0 97 0 - 9.1-41.3 Violated in 12 structures by 0.17 A. Peak 1500 from cnoeabs.peaks (1.58, 1.67, 26.82 ppm; 2.62 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.8-3.0 1494=93, 1.8/1499=70...(25) HG LEU 86 - HG LEU 29 far 0 87 0 - 6.8-48.4 HB3 LEU 86 - HG LEU 29 far 0 89 0 - 6.8-46.5 Violated in 20 structures by 0.33 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 4 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 86 - HG LEU 29 far 5 96 5 - 4.0-40.4 QG2 ILE 89 - HG LEU 29 far 0 100 0 - 5.8-46.5 QD2 LEU 64 - HG LEU 29 far 0 100 0 - 5.8-7.7 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 10 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.5-4.0 549=100, 548/2.1=91...(13) H ALA 63 + QD1 LEU 62 OK 66 66 100 99 4.6-4.7 3.6/2600=59, 256/3.1=45...(15) H LYS 32 - QD1 LEU 29 poor 19 97 20 - 5.1-6.8 H LEU 29 - QD1 LEU 86 far 5 98 5 - 2.2-41.1 H LYS 32 - QD1 LEU 86 far 0 92 0 - 5.6-43.2 H ASP 67 - QD1 LEU 86 far 0 76 0 - 6.0-37.3 H ALA 63 - QD1 LEU 86 far 0 63 0 - 7.1-41.0 H ASP 67 - QD1 LEU 62 far 0 78 0 - 7.6-8.8 H ARG 70 - QD1 LEU 86 far 0 98 0 - 7.8-33.5 H ARG 70 - QD1 LEU 62 far 0 99 0 - 9.6-12.3 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 3.6-4.1 1481=100, 1482/2.1=76...(23) HA ALA 30 + QD1 LEU 29 OK 31 71 45 97 3.0-5.9 3.0/84=37, ~83=26...(17) HA ILE 89 - QD1 LEU 86 poor 19 94 20 - 2.2-11.1 HA ALA 53 - QD1 LEU 62 far 15 99 15 - 3.6-7.1 HB THR 15 - QD1 LEU 29 far 10 99 10 - 3.7-19.5 HA LEU 29 - QD1 LEU 86 far 5 98 5 - 2.7-41.4 HA ARG 82 - QD1 LEU 86 far 4 85 5 - 3.6-14.0 HA ARG 84 - QD1 LEU 86 far 3 68 5 - 4.1-9.5 HA ILE 89 - QD1 LEU 29 far 0 98 0 - 5.5-46.0 HA ALA 30 - QD1 LEU 86 far 0 66 0 - 6.1-45.0 HA ASN 49 - QD1 LEU 62 far 0 76 0 - 6.2-8.3 HA GLN 91 - QD1 LEU 86 far 0 61 0 - 6.9-15.6 HA ARG 84 - QD1 LEU 29 far 0 73 0 - 7.4-35.6 HA ARG 82 - QD1 LEU 62 far 0 88 0 - 9.0-31.0 Violated in 9 structures by 0.07 A. Peak 1506 from cnoeabs.peaks (1.72, 0.88, 24.48 ppm; 2.99 A): 1 out of 18 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-3.0 3.1=89, 1499/2.1=76...(24) HG3 ARG 66 - QD1 LEU 62 far 8 78 10 - 4.0-7.5 HB2 LEU 29 - QD1 LEU 86 far 5 98 5 - 2.0-42.6 HB3 LYS 83 - QD1 LEU 86 far 5 98 5 - 4.4-12.4 HB2 ARG 84 - QD1 LEU 86 far 5 93 5 - 4.0-8.4 HB2 ARG 82 - QD1 LEU 86 far 4 73 5 - 4.0-14.2 HB3 LYS 85 - QD1 LEU 86 far 0 96 0 - 5.2-7.7 HB3 ARG 17 - QD1 LEU 29 far 0 65 0 - 5.4-19.3 HB2 ARG 84 - QD1 LEU 29 far 0 97 0 - 5.7-36.2 HG2 ARG 70 - QD1 LEU 86 far 0 95 0 - 6.3-33.7 HG3 ARG 66 - QD1 LEU 86 far 0 76 0 - 6.6-37.2 HB3 LEU 64 - QD1 LEU 86 far 0 80 0 - 6.9-41.2 HB3 LYS 85 - QD1 LEU 29 far 0 99 0 - 7.5-38.2 HB3 LEU 64 - QD1 LEU 29 far 0 85 0 - 8.7-11.4 HB3 LEU 64 - QD1 LEU 62 far 0 83 0 - 8.7-9.3 HG2 ARG 70 - QD1 LEU 62 far 0 97 0 - 8.8-13.6 HB2 ARG 82 - QD1 LEU 62 far 0 76 0 - 9.0-32.2 HB2 ARG 82 - QD1 LEU 29 far 0 78 0 - 9.9-33.9 Violated in 2 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.58, 0.88, 24.48 ppm; 2.76 A): 5 out of 17 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-2.8 3.1=70, 1500/2.1=61...(20) HB3 LEU 62 + QD1 LEU 62 OK 95 97 100 98 2.3-3.1 3.1=70, 3.0/2600=33...(23) 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 2.0-3.2 3.1=71, 3537/2.1=32...(20) HB3 LEU 29 - QD1 LEU 86 far 5 98 5 - 3.0-42.7 HG3 ARG 84 - QD1 LEU 86 far 0 90 0 - 4.6-10.7 HG LEU 86 - QD1 LEU 29 far 0 87 0 - 4.7-41.1 HB3 LEU 86 - QD1 LEU 29 far 0 89 0 - 5.1-40.4 HG2 ARG 84 - QD1 LEU 86 far 0 90 0 - 5.5-10.5 HB3 LEU 62 - QD1 LEU 86 far 0 95 0 - 6.2-39.5 HG3 ARG 54 - QD1 LEU 62 far 0 99 0 - 7.0-11.1 HG2 ARG 84 - QD1 LEU 29 far 0 95 0 - 7.3-34.8 HB3 LEU 51 - QD1 LEU 62 far 0 83 0 - 7.5-10.5 HG3 ARG 84 - QD1 LEU 29 far 0 95 0 - 7.9-35.2 HG LEU 62 - QD1 LEU 86 far 0 89 0 - 8.4-39.2 HG LEU 86 - QD1 LEU 62 far 0 85 0 - 8.8-37.8 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 20 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 13 - QD1 LEU 29 far 15 98 15 - 2.6-23.4 HB3 LYS 13 - QD1 LEU 29 far 10 99 10 - 3.3-23.5 HB3 GLN 61 - QD1 LEU 62 far 9 90 10 - 4.1-6.9 HG3 ARG 66 - QD1 LEU 62 far 8 78 10 - 4.0-7.5 HD2 LYS 13 - QD1 LEU 29 poor 6 98 25 25 2.7-23.5 5329/2.1=15, ~5329=12 HG LEU 29 - QD1 LEU 86 far 5 98 5 - 4.1-40.9 HB2 ARG 82 - QD1 LEU 86 far 4 78 5 - 4.0-14.2 HG3 ARG 66 - QD1 LEU 86 far 0 76 0 - 6.6-37.2 HG2 ARG 23 - QD1 LEU 29 far 0 100 0 - 6.7-10.6 HB3 LEU 64 - QD1 LEU 86 far 0 71 0 - 6.9-41.2 HD2 LYS 75 - QD1 LEU 86 far 0 93 0 - 8.2-28.0 HD3 LYS 75 - QD1 LEU 86 far 0 93 0 - 8.4-29.1 HB3 LEU 64 - QD1 LEU 29 far 0 76 0 - 8.7-11.4 HB3 LEU 64 - QD1 LEU 62 far 0 74 0 - 8.7-9.3 HG2 ARG 23 - QD1 LEU 86 far 0 97 0 - 8.7-41.4 HB2 ARG 82 - QD1 LEU 62 far 0 80 0 - 9.0-32.2 HB3 GLN 61 - QD1 LEU 86 far 0 87 0 - 9.1-40.6 HB2 ARG 82 - QD1 LEU 29 far 0 83 0 - 9.9-33.9 HD3 LYS 75 - QD1 LEU 29 far 0 97 0 - 10.0-25.7 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 11 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 10 97 10 - 3.0-11.1 QD2 LEU 86 - QD1 LEU 29 far 5 96 5 - 2.0-34.2 QD2 LEU 29 - QD1 LEU 86 far 0 98 0 - 4.2-33.2 QG2 ILE 89 - QD1 LEU 29 far 0 100 0 - 5.8-39.4 QD2 LEU 64 - QD1 LEU 86 far 0 98 0 - 5.8-33.2 QD2 LEU 64 - QD1 LEU 29 far 0 100 0 - 6.4-7.9 QD2 LEU 64 - QD1 LEU 62 far 0 99 0 - 6.4-8.3 QD2 LEU 86 - QD1 LEU 62 far 0 94 0 - 6.8-31.6 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 1511 from cnoeabs.peaks (7.95, 0.84, 23.57 ppm; 4.46 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-4.2 548/2.1=98, 546/3.1=88...(20) H LYS 32 + QD2 LEU 29 OK 58 97 75 80 4.3-6.4 4205/1482=32, 89/4192=25...(11) H LEU 29 - QD2 LEU 86 far 4 87 5 - 3.4-40.5 H LYS 32 - QD2 LEU 86 far 0 81 0 - 7.2-42.3 H ASP 67 - QD2 LEU 86 far 0 64 0 - 7.2-36.6 H ALA 63 - QD2 LEU 86 far 0 53 0 - 8.0-40.0 H ARG 70 - QD2 LEU 86 far 0 87 0 - 8.6-32.9 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 12 assignments used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-3.8 1482=100, 1480/2.1=68...(34) HA ILE 89 - QD2 LEU 86 poor 17 83 20 - 3.5-10.8 HB THR 15 - QD2 LEU 29 far 15 99 15 - 2.1-21.3 HA ILE 89 - QD2 LEU 29 far 5 98 5 - 3.3-44.0 HA LEU 29 - QD2 LEU 86 far 4 87 5 - 4.1-40.7 HA ALA 30 - QD2 LEU 29 far 4 71 5 - 2.7-5.9 HA ARG 84 - QD2 LEU 86 far 0 58 0 - 5.4-8.9 HA ARG 82 - QD2 LEU 86 far 0 74 0 - 5.5-14.7 HA ALA 30 - QD2 LEU 86 far 0 55 0 - 6.7-44.3 HA GLN 91 - QD2 LEU 86 far 0 51 0 - 7.4-16.0 HA GLN 91 - QD2 LEU 29 far 0 65 0 - 8.3-49.4 HA ARG 84 - QD2 LEU 29 far 0 73 0 - 9.5-34.0 Violated in 7 structures by 0.06 A. Peak 1513 from cnoeabs.peaks (1.72, 0.84, 23.57 ppm; 3.36 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-3.2 3.1=100 HB2 ARG 84 - QD2 LEU 86 poor 16 82 20 - 4.2-9.1 HB3 ARG 17 - QD2 LEU 29 far 7 65 10 - 4.6-21.3 HB2 LEU 29 - QD2 LEU 86 far 4 87 5 - 2.0-42.0 HB3 LYS 85 - QD2 LEU 86 far 0 85 0 - 5.0-7.4 HB3 LYS 83 - QD2 LEU 86 far 0 87 0 - 5.6-12.2 HB2 ARG 82 - QD2 LEU 86 far 0 62 0 - 6.4-13.4 HG2 ARG 70 - QD2 LEU 86 far 0 84 0 - 7.3-33.0 HG3 ARG 66 - QD2 LEU 86 far 0 64 0 - 7.8-36.1 HB2 ARG 84 - QD2 LEU 29 far 0 97 0 - 8.1-34.5 HB3 LEU 64 - QD2 LEU 29 far 0 85 0 - 8.3-10.8 HB3 LEU 64 - QD2 LEU 86 far 0 68 0 - 8.9-40.4 HB3 LYS 85 - QD2 LEU 29 far 0 99 0 - 9.0-36.5 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 13 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-3.0 3.1=100 HB3 LEU 86 + QD2 LEU 86 OK 72 72 100 100 2.3-3.2 3.1=100 HG LEU 86 + QD2 LEU 86 OK 70 70 100 100 2.1-2.1 2.1=100 HB3 LEU 29 - QD2 LEU 86 far 4 87 5 - 2.8-42.0 HG3 ARG 84 - QD2 LEU 86 far 0 78 0 - 5.5-10.7 HB3 LEU 86 - QD2 LEU 29 far 0 89 0 - 5.6-38.4 HG LEU 86 - QD2 LEU 29 far 0 87 0 - 6.2-39.3 HG2 ARG 84 - QD2 LEU 86 far 0 78 0 - 6.3-10.6 HB3 LEU 62 - QD2 LEU 86 far 0 84 0 - 6.8-38.4 HD2 LYS 39 - QD2 LEU 29 far 0 100 0 - 8.5-15.1 HD3 LYS 39 - QD2 LEU 29 far 0 100 0 - 8.5-14.8 HG LEU 62 - QD2 LEU 86 far 0 77 0 - 8.8-38.0 HG2 ARG 84 - QD2 LEU 29 far 0 95 0 - 9.4-33.3 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 15 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 13 - QD2 LEU 29 far 15 98 15 - 4.4-24.5 HD2 LYS 13 - QD2 LEU 29 far 10 98 10 - 3.8-24.7 HG LEU 29 - QD2 LEU 86 far 4 87 5 - 4.0-40.4 HB3 LYS 13 - QD2 LEU 29 far 0 99 0 - 5.1-24.7 HB2 ARG 82 - QD2 LEU 86 far 0 66 0 - 6.4-13.4 HG2 ARG 23 - QD2 LEU 29 far 0 100 0 - 7.4-11.3 HG3 ARG 66 - QD2 LEU 86 far 0 64 0 - 7.8-36.1 HD2 LYS 75 - QD2 LEU 86 far 0 82 0 - 8.1-29.1 HG2 ARG 23 - QD2 LEU 86 far 0 86 0 - 8.2-41.3 HB3 LEU 64 - QD2 LEU 29 far 0 76 0 - 8.3-10.8 HD3 LYS 75 - QD2 LEU 86 far 0 82 0 - 8.3-29.1 HB3 GLN 61 - QD2 LEU 29 far 0 92 0 - 8.7-11.9 HB3 LEU 64 - QD2 LEU 86 far 0 60 0 - 8.9-40.4 HD3 LYS 75 - QD2 LEU 29 far 0 97 0 - 9.7-24.0 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 9 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 QD1 LEU 29 - QD2 LEU 86 far 4 87 5 - 2.0-34.2 QG1 VAL 90 - QD2 LEU 29 far 4 83 5 - 3.6-39.4 QG1 VAL 90 - QD2 LEU 86 far 3 66 5 - 3.3-12.5 QD1 LEU 86 - QD2 LEU 29 far 0 99 0 - 4.2-33.2 QG2 VAL 90 - QD2 LEU 86 far 0 68 0 - 4.4-11.2 QG2 VAL 90 - QD2 LEU 29 far 0 85 0 - 5.4-40.7 QD1 LEU 62 - QD2 LEU 86 far 0 85 0 - 6.8-31.6 Violated in 0 structures by 0.00 A. Peak 1517 from cnoeabs.peaks (0.84, 0.84, 23.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 QD2 LEU 86 + QD2 LEU 86 OK 80 80 - 100 Peak 1518 from cnoeabs.peaks (7.98, 4.13, 53.99 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + HA ALA 30 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (4.13, 4.13, 53.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 30 + HA ALA 30 OK 100 100 - 100 Peak 1520 from cnoeabs.peaks (1.45, 4.13, 53.99 ppm; 2.80 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 30 + HA ALA 30 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 13 - HA ALA 30 far 14 97 15 - 2.2-28.1 HG2 LYS 13 - HA ALA 30 far 8 78 10 - 3.7-26.4 HG12 ILE 33 - HA ALA 30 far 0 100 0 - 6.6-9.4 HG13 ILE 89 - HA ALA 30 far 0 99 0 - 8.5-57.9 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (7.98, 1.45, 18.15 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 30 + QB ALA 30 OK 100 100 100 100 2.0-2.3 2.9=100 H ALA 63 - QB ALA 30 far 0 100 0 - 9.5-11.8 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 6 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 61 83 100 73 2.5-3.5 4807=47, 3.0/5519=15...(12) HA LEU 29 - QB ALA 30 far 0 71 0 - 5.0-5.0 HA ARG 23 - QB ALA 30 far 0 98 0 - 6.6-9.6 HB THR 88 - QB ALA 30 far 0 90 0 - 8.5-45.9 HA GLN 91 - QB ALA 30 far 0 100 0 - 10.0-52.6 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 2.8-2.9 3.0=100 H GLN 61 - HA MET 31 far 0 71 0 - 5.5-8.3 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 2.5-3.0 3.0=100 HG13 ILE 68 - HA MET 31 far 0 96 0 - 9.4-12.5 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): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + HA MET 31 OK 100 100 100 100 2.2-3.9 4.2=100 HG2 GLN 61 + HA MET 31 OK 35 73 60 78 3.7-7.2 5077/5189=23, ~5910=22...(9) 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 2.5-3.7 1549=93, 1.8/1543=69...(12) HB2 GLN 61 - HA MET 31 far 0 100 0 - 6.0-8.1 Violated in 6 structures by 0.04 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 2.2-3.6 556=100, 557/1.8=74...(17) H GLN 61 - HB2 MET 31 far 0 71 0 - 5.3-8.6 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 2 assignments used, quality = 1.00: * HA MET 31 + HB2 MET 31 OK 100 100 100 100 2.5-3.0 3.0=100 HA THR 58 - HB2 MET 31 far 0 96 0 - 9.6-12.4 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 HB2 GLU 25 - HB2 MET 31 far 0 89 0 - 9.2-12.9 HB3 GLU 25 - HB2 MET 31 far 0 90 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (2.63, 1.94, 32.66 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + HB2 MET 31 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 GLN 61 - HB2 MET 31 far 11 73 15 - 3.5-7.6 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 2.2-3.0 3.0=100 HB2 GLN 61 - HB2 MET 31 far 0 100 0 - 4.8-8.0 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (7.71, 2.07, 32.66 ppm; 4.16 A): 2 out of 5 assignments used, quality = 1.00: * H MET 31 + HB3 MET 31 OK 100 100 100 100 2.4-3.7 4.0=100 H GLN 61 + HB3 MET 31 OK 24 71 40 84 4.1-7.0 3.0/5350=20, 6.6/5910=20...(15) H ASN 42 - HB VAL 76 far 3 59 5 - 5.0-17.8 H GLU 50 - HB3 PRO 44 far 0 33 0 - 7.3-8.2 H ASN 42 - HB3 PRO 44 far 0 42 0 - 9.4-9.8 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 - 8.0-11.2 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 10 assignments used, quality = 1.00: * HB2 MET 31 + HB3 MET 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 41 - HB VAL 76 far 6 63 10 - 3.0-15.8 HB3 ARG 70 - HB VAL 76 far 2 48 5 - 2.0-12.9 HB2 ARG 70 - HB VAL 76 far 2 48 5 - 2.6-14.4 HG13 ILE 68 - HB3 MET 31 far 0 96 0 - 7.2-10.8 HB3 ARG 66 - HB VAL 76 far 0 63 0 - 7.8-19.9 HB2 GLU 19 - HB VAL 76 far 0 37 0 - 8.1-33.1 HG LEU 57 - HB3 MET 31 far 0 85 0 - 8.3-10.6 HG13 ILE 68 - HB VAL 76 far 0 58 0 - 9.7-19.9 HB3 ARG 66 - HB3 MET 31 far 0 99 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (2.07, 2.07, 32.66 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 MET 31 + HB3 MET 31 OK 100 100 - 100 HB VAL 76 + HB VAL 76 OK 37 37 - 100 HB3 PRO 44 + HB3 PRO 44 OK 33 33 - 100 Peak 1540 from cnoeabs.peaks (2.63, 2.07, 32.66 ppm; 3.16 A): 2 out of 4 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 OK 34 73 65 71 2.0-6.0 3.5/5910=20, 3.5/5911=20...(14) HB3 ASP 38 - HB VAL 76 far 0 64 0 - 5.4-20.6 HB2 ASP 38 - HB VAL 76 far 0 64 0 - 6.6-20.8 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 2.2-3.0 3.0=100 HB3 ASP 46 - HB3 PRO 44 poor 13 29 100 46 2.9-4.2 170/4431=25, 4410/2110=9...(7) HB2 GLN 61 - HB3 MET 31 far 10 100 10 - 3.6-6.7 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 2.5-4.0 558=94, 559/1.8=77...(19) H GLN 61 - HG2 MET 31 far 4 71 5 - 4.6-8.9 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (4.42, 2.63, 32.57 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 31 + HG2 MET 31 OK 100 100 100 100 2.2-3.9 1529/1.8=77, 4.2=71...(12) HA THR 58 - HG2 MET 31 far 0 96 0 - 8.7-12.9 Violated in 9 structures by 0.03 A. Peak 1544 from cnoeabs.peaks (1.94, 2.63, 32.57 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 31 + HG2 MET 31 OK 100 100 100 100 2.2-2.8 3.0=100 HG13 ILE 68 - HG2 MET 31 far 0 96 0 - 6.4-9.5 HB3 ARG 66 - HG2 MET 31 far 0 99 0 - 9.1-12.3 HG LEU 57 - HG2 MET 31 far 0 85 0 - 9.8-13.3 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 4 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 59 - HG2 MET 31 far 0 81 0 - 8.8-14.0 HB2 GLU 59 - HG2 MET 31 far 0 81 0 - 9.3-13.6 HB2 GLU 25 - HG2 MET 31 far 0 89 0 - 9.9-12.2 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 - 4.1-8.9 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 2.0-4.2 559=100, 1542/1.8=78...(17) H GLN 61 - HG3 MET 31 far 7 71 10 - 4.4-8.3 Violated in 1 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (4.42, 2.52, 32.57 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 31 + HG3 MET 31 OK 100 100 100 100 2.5-3.7 1529=100, 1543/1.8=72...(12) HA THR 58 - HG3 MET 31 far 0 96 0 - 8.1-12.9 Violated in 6 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 2.2-3.0 3.0=100 HG13 ILE 68 - HG3 MET 31 far 0 96 0 - 6.0-11.3 HG LEU 57 - HG3 MET 31 far 0 85 0 - 9.4-12.8 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 5 assignments used, quality = 1.00: * HB3 MET 31 + HG3 MET 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 59 - HG3 MET 31 far 0 81 0 - 8.6-13.3 HB2 GLU 59 - HG3 MET 31 far 0 81 0 - 8.8-13.8 HB3 GLU 25 - HG3 MET 31 far 0 90 0 - 9.5-12.2 HB2 GLU 25 - HG3 MET 31 far 0 89 0 - 9.5-12.6 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 7 73 10 - 2.2-7.8 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 - 5.1-6.8 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (3.98, 3.98, 56.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 32 + HA LYS 32 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (1.77, 3.98, 56.13 ppm; 3.15 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 32 + HA LYS 32 OK 100 100 100 100 2.3-2.7 3.0=100 * HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 13 - HA LYS 32 far 14 90 15 - 4.5-29.3 HB ILE 33 - HA LYS 32 far 0 100 0 - 4.7-5.3 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 5.4-27.1 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 6.6-8.8 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.1-8.4 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 2.3-2.7 3.0=100 HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 13 - HA LYS 32 far 14 90 15 - 4.5-29.3 HB ILE 33 - HA LYS 32 far 0 100 0 - 4.7-5.3 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 5.4-27.1 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 6.6-8.8 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.1-8.4 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 2.1-3.7 3.9=81, 1.8/1559=70...(30) QG2 THR 58 - HA LYS 32 far 0 60 0 - 7.4-10.9 Violated in 2 structures by 0.01 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...(33) QB ALA 28 - HA LYS 32 far 15 97 15 - 4.8-6.6 QB ALA 12 - HA LYS 32 far 0 100 0 - 6.6-22.7 QG2 THR 58 - HA LYS 32 far 0 90 0 - 7.4-10.9 Violated in 12 structures by 0.08 A. Peak 1560 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.47 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.3-5.1 3.0/1558=79, 3.0/1559=77...(44) HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-5.5 3.0/1558=79, 3.0/1559=77...(45) HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.2-28.9 HG3 ARG 17 - HA LYS 32 far 0 98 0 - 6.9-29.2 HB2 LEU 86 - HA LYS 32 far 0 100 0 - 7.6-48.7 HG3 ARG 27 - HA LYS 32 far 0 78 0 - 8.8-12.5 HG2 ARG 27 - HA LYS 32 far 0 81 0 - 9.3-12.0 HG LEU 86 - HA LYS 32 far 0 96 0 - 9.7-50.8 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 8 assignments used, quality = 1.00: * HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-5.5 3.0/1558=79, 3.0/1559=77...(45) HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.3-5.1 3.0/1558=79, 3.0/1559=77...(44) HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.2-28.9 HG3 ARG 17 - HA LYS 32 far 0 99 0 - 6.9-29.2 HB2 LEU 86 - HA LYS 32 far 0 100 0 - 7.6-48.7 HG3 ARG 27 - HA LYS 32 far 0 83 0 - 8.8-12.5 HG2 ARG 27 - HA LYS 32 far 0 85 0 - 9.3-12.0 HG LEU 86 - HA LYS 32 far 0 93 0 - 9.7-50.8 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 9 assignments used, quality = 1.00: H LYS 32 + HB3 LYS 32 OK 100 100 100 100 3.0-4.1 4.0=100 * H LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.3-4.0 4.0=100 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.3-9.0 H LEU 29 - HB2 LYS 32 far 0 97 0 - 7.3-8.8 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.4-10.4 H ASP 67 - HB3 ARG 82 far 0 75 0 - 8.5-32.6 H ARG 70 - HB3 ARG 82 far 0 73 0 - 8.7-27.5 H VAL 76 - HB3 ARG 82 far 0 62 0 - 9.8-17.4 H ARG 70 - HB3 ARG 84 far 0 43 0 - 9.8-33.9 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.57 A): 2 out of 17 assignments used, quality = 1.00: HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-2.7 3.0=100 * HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.1-9.9 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 6.6-8.8 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 6.8-8.0 HA2 GLY 21 - HB3 ARG 82 far 0 50 0 - 6.8-37.2 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.1-8.6 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 7.2-10.1 HA ARG 70 - HB3 ARG 82 far 0 50 0 - 7.2-24.9 HA3 GLY 21 - HB3 ARG 82 far 0 48 0 - 8.1-38.5 HA2 GLY 21 - HB3 ARG 84 far 0 28 0 - 8.3-41.8 HA ARG 66 - HB3 ARG 82 far 0 80 0 - 8.5-30.4 HA ARG 70 - HB3 ARG 84 far 0 28 0 - 8.8-31.6 HA3 GLY 21 - HB3 ARG 84 far 0 27 0 - 8.8-42.1 HA GLN 61 - HB2 PRO 34 far 0 58 0 - 8.9-10.9 HA VAL 76 - HB3 ARG 82 far 0 76 0 - 9.2-16.6 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.8-11.1 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 2.5-2.9 2.9=100 HG2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.8-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 9 60 15 - 4.9-9.6 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 6.0-10.2 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 6.6-10.7 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 6.9-10.1 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 7.4-11.5 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 15 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 2.3-2.9 2.9=100 QG2 THR 58 - HB2 LYS 32 far 9 90 10 - 4.9-9.6 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 6.0-10.2 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 6.1-23.3 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 6.6-22.5 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 6.7-8.2 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 6.8-7.7 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 6.9-10.1 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 7.1-11.0 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 7.4-11.5 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.8-9.1 HB2 LEU 52 - HB2 PRO 34 far 0 62 0 - 8.0-10.6 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.3-10.8 QB ALA 28 - HB3 ARG 84 far 0 45 0 - 9.3-33.3 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 33 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.1-3.8 3.5=57, 1560/3.0=12...(48) HD3 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.3-4.1 3.5=57, 1560/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.0-3.9 3.5=57, 1560/3.0=12...(47) * HD2 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.2-4.1 3.5=57, 1560/3.0=12...(47) HG2 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.2-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG2 ARG 84 - HB3 ARG 82 far 7 65 10 - 3.3-9.4 HG3 ARG 84 - HB3 ARG 82 far 3 65 5 - 4.1-9.8 HG LEU 86 - HB3 ARG 84 far 2 43 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 4.6-9.9 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 6.0-10.3 HG2 ARG 26 - HB3 ARG 84 far 0 44 0 - 6.1-44.0 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 7.1-11.1 HD2 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 80 0 - 7.5-27.4 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.6-29.9 HG2 ARG 71 - HB3 ARG 82 far 0 76 0 - 7.8-29.3 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 8.2-30.7 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 8.2-17.1 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 48 0 - 8.4-32.8 HG LEU 86 - HB3 ARG 82 far 0 73 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 80 0 - 8.5-23.0 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-29.1 HB3 LEU 62 - HB3 ARG 82 far 0 56 0 - 8.6-36.4 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 9.2-29.4 HG3 ARG 27 - HB2 LYS 32 far 0 78 0 - 9.5-13.5 HG2 ARG 27 - HB2 LYS 32 far 0 81 0 - 9.9-13.1 HB2 LEU 86 - HB3 LYS 32 far 0 100 0 - 9.9-49.5 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 32 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.1-3.8 3.5=57, 1561/3.0=12...(48) * HD3 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.3-4.1 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.0-3.9 3.5=57, 1561/3.0=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.2-4.1 3.5=57, 1561/3.0=12...(47) HG2 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.2-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG2 ARG 84 - HB3 ARG 82 far 6 62 10 - 3.3-9.4 HG3 ARG 84 - HB3 ARG 82 far 3 62 5 - 4.1-9.8 HG LEU 86 - HB3 ARG 84 far 2 41 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 4.6-9.9 HG2 ARG 26 - HB3 ARG 84 far 0 45 0 - 6.1-44.0 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 7.1-11.1 HD2 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 80 0 - 7.5-27.4 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.6-29.9 HG2 ARG 71 - HB3 ARG 82 far 0 78 0 - 7.8-29.3 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 8.2-30.7 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 8.2-17.1 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 49 0 - 8.4-32.8 HG LEU 86 - HB3 ARG 82 far 0 70 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 80 0 - 8.5-23.0 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-29.1 HB3 LEU 62 - HB3 ARG 82 far 0 52 0 - 8.6-36.4 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 9.2-29.4 HG3 ARG 27 - HB2 LYS 32 far 0 83 0 - 9.5-13.5 HG2 ARG 27 - HB2 LYS 32 far 0 85 0 - 9.9-13.1 HB2 LEU 86 - HB3 LYS 32 far 0 100 0 - 9.9-49.5 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 9 assignments used, quality = 1.00: * H LYS 32 + HB3 LYS 32 OK 100 100 100 100 3.0-4.1 4.0=100 H LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.3-4.0 4.0=100 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.3-9.0 H LEU 29 - HB2 LYS 32 far 0 97 0 - 7.3-8.8 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.4-10.4 H ASP 67 - HB3 ARG 82 far 0 75 0 - 8.5-32.6 H ARG 70 - HB3 ARG 82 far 0 73 0 - 8.7-27.5 H VAL 76 - HB3 ARG 82 far 0 62 0 - 9.8-17.4 H ARG 70 - HB3 ARG 84 far 0 43 0 - 9.8-33.9 Violated in 0 structures by 0.00 A. Peak 1575 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.57 A): 2 out of 17 assignments used, quality = 1.00: * HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.1-9.9 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 6.6-8.8 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 6.8-8.0 HA2 GLY 21 - HB3 ARG 82 far 0 50 0 - 6.8-37.2 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.1-8.6 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 7.2-10.1 HA ARG 70 - HB3 ARG 82 far 0 50 0 - 7.2-24.9 HA3 GLY 21 - HB3 ARG 82 far 0 48 0 - 8.1-38.5 HA2 GLY 21 - HB3 ARG 84 far 0 28 0 - 8.3-41.8 HA ARG 66 - HB3 ARG 82 far 0 80 0 - 8.5-30.4 HA ARG 70 - HB3 ARG 84 far 0 28 0 - 8.8-31.6 HA3 GLY 21 - HB3 ARG 84 far 0 27 0 - 8.8-42.1 HA GLN 61 - HB2 PRO 34 far 0 58 0 - 8.9-10.9 HA VAL 76 - HB3 ARG 82 far 0 76 0 - 9.2-16.6 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.8-11.1 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 2.5-2.9 2.9=100 * HG2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.8-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 9 60 15 - 4.9-9.6 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 6.0-10.2 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 6.6-10.7 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 6.9-10.1 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 7.4-11.5 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 15 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 2.3-2.9 2.9=100 QG2 THR 58 - HB2 LYS 32 far 9 90 10 - 4.9-9.6 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 6.0-10.2 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 6.1-23.3 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 6.6-22.5 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 6.7-8.2 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 6.8-7.7 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 6.9-10.1 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 7.1-11.0 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 7.4-11.5 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.8-9.1 HB2 LEU 52 - HB2 PRO 34 far 0 62 0 - 8.0-10.6 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.3-10.8 QB ALA 28 - HB3 ARG 84 far 0 45 0 - 9.3-33.3 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 33 assignments used, quality = 1.00: HD3 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.1-3.8 3.5=57, 1560/3.0=12...(48) HD3 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.3-4.1 3.5=57, 1560/3.0=12...(48) * HD2 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.0-3.9 3.5=57, 1560/3.0=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.2-4.1 3.5=57, 1560/3.0=12...(47) HG2 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.2-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG2 ARG 84 - HB3 ARG 82 far 7 65 10 - 3.3-9.4 HG3 ARG 84 - HB3 ARG 82 far 3 65 5 - 4.1-9.8 HG LEU 86 - HB3 ARG 84 far 2 43 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 4.6-9.9 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 6.0-10.3 HG2 ARG 26 - HB3 ARG 84 far 0 44 0 - 6.1-44.0 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 7.1-11.1 HD2 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 80 0 - 7.5-27.4 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.6-29.9 HG2 ARG 71 - HB3 ARG 82 far 0 76 0 - 7.8-29.3 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 8.2-30.7 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 8.2-17.1 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 48 0 - 8.4-32.8 HG LEU 86 - HB3 ARG 82 far 0 73 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 80 0 - 8.5-23.0 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-29.1 HB3 LEU 62 - HB3 ARG 82 far 0 56 0 - 8.6-36.4 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 9.2-29.4 HG3 ARG 27 - HB2 LYS 32 far 0 78 0 - 9.5-13.5 HG2 ARG 27 - HB2 LYS 32 far 0 81 0 - 9.9-13.1 HB2 LEU 86 - HB3 LYS 32 far 0 100 0 - 9.9-49.5 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 32 assignments used, quality = 1.00: * HD3 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.1-3.8 3.5=57, 1561/3.0=12...(48) HD3 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.3-4.1 3.5=57, 1561/3.0=12...(48) HD2 LYS 32 + HB3 LYS 32 OK 95 100 100 95 2.0-3.9 3.5=57, 1561/3.0=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 95 100 100 95 2.2-4.1 3.5=57, 1561/3.0=12...(47) HG2 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.2-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG2 ARG 84 - HB3 ARG 82 far 6 62 10 - 3.3-9.4 HG3 ARG 84 - HB3 ARG 82 far 3 62 5 - 4.1-9.8 HG LEU 86 - HB3 ARG 84 far 2 41 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 4.6-9.9 HG2 ARG 26 - HB3 ARG 84 far 0 45 0 - 6.1-44.0 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 7.1-11.1 HD2 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.2-21.3 HG3 ARG 70 - HB3 ARG 82 far 0 80 0 - 7.5-27.4 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.6-29.9 HG2 ARG 71 - HB3 ARG 82 far 0 78 0 - 7.8-29.3 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 8.2-30.7 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 8.2-17.1 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 49 0 - 8.4-32.8 HG LEU 86 - HB3 ARG 82 far 0 70 0 - 8.5-17.1 HD3 LYS 73 - HB3 ARG 82 far 0 80 0 - 8.5-23.0 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.6-29.1 HB3 LEU 62 - HB3 ARG 82 far 0 52 0 - 8.6-36.4 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 9.2-29.4 HG3 ARG 27 - HB2 LYS 32 far 0 83 0 - 9.5-13.5 HG2 ARG 27 - HB2 LYS 32 far 0 85 0 - 9.9-13.1 HB2 LEU 86 - HB3 LYS 32 far 0 100 0 - 9.9-49.5 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, 1594/1.8=75...(16) H LEU 29 - HG2 LYS 32 far 0 97 0 - 6.1-8.8 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 2.1-3.7 3.9=100 HA GLN 61 - HG2 LYS 32 far 0 96 0 - 6.8-10.2 HA ALA 28 - HG2 LYS 32 far 0 85 0 - 6.8-7.8 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 8 assignments used, quality = 1.00: * HB2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.5-2.9 2.9=100 HB3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.8-3.0 2.9=100 HB2 LYS 13 - HG2 LYS 32 far 5 90 5 - 3.9-28.7 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 6.4-7.4 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 6.6-10.7 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 6.6-27.4 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 6.7-10.4 HB2 LEU 57 - HG2 LYS 32 far 0 99 0 - 9.6-13.1 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 8 assignments used, quality = 1.00: HB2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.5-2.9 2.9=100 * HB3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.8-3.0 2.9=100 HB2 LYS 13 - HG2 LYS 32 far 5 90 5 - 3.9-28.7 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 6.4-7.4 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 6.6-10.7 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 6.6-27.4 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 6.7-10.4 HB2 LEU 57 - HG2 LYS 32 far 0 99 0 - 9.6-13.1 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 12 - HG2 LYS 32 far 0 100 0 - 5.1-22.9 QB ALA 28 - HG2 LYS 32 far 0 97 0 - 6.2-7.8 QG2 THR 58 - HG2 LYS 32 far 0 90 0 - 6.6-9.9 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 7 assignments used, quality = 1.00: * HD2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 8.0-29.2 HG3 ARG 27 - HG2 LYS 32 far 0 78 0 - 8.6-12.7 HG2 ARG 27 - HG2 LYS 32 far 0 81 0 - 8.8-12.5 HG3 ARG 17 - HG2 LYS 32 far 0 98 0 - 9.1-29.3 HB2 LEU 86 - HG2 LYS 32 far 0 100 0 - 9.5-50.7 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 7 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 2.4-3.0 3.0=100 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 8.0-29.2 HG3 ARG 27 - HG2 LYS 32 far 0 83 0 - 8.6-12.7 HG2 ARG 27 - HG2 LYS 32 far 0 85 0 - 8.8-12.5 HG3 ARG 17 - HG2 LYS 32 far 0 99 0 - 9.1-29.3 HB2 LEU 86 - HG2 LYS 32 far 0 100 0 - 9.5-50.7 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 5 assignments used, quality = 1.00: * HE2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.1-4.0 3.9=100 HE3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.0-4.2 3.9=100 HE3 LYS 13 - HG2 LYS 32 poor 19 95 20 - 4.0-30.1 HE2 LYS 13 - HG2 LYS 32 far 9 93 10 - 3.3-30.0 HB3 TYR 55 - HG2 LYS 32 far 0 93 0 - 9.3-12.8 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 5 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 2.1-4.0 3.9=100 HE3 LYS 13 - HG2 LYS 32 poor 19 96 20 - 4.0-30.1 HE2 LYS 13 - HG2 LYS 32 far 9 95 10 - 3.3-30.0 HB3 TYR 55 - HG2 LYS 32 far 0 92 0 - 9.3-12.8 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 3.3-3.9 564/1.8=84, 565=75...(16) H LEU 29 - HG3 LYS 32 far 0 97 0 - 7.0-9.0 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...(33) HA GLN 61 - HG3 LYS 32 far 0 96 0 - 6.5-10.5 HA ALA 28 - HG3 LYS 32 far 0 85 0 - 7.4-8.6 Violated in 12 structures by 0.02 A. Peak 1596 from cnoeabs.peaks (1.77, 1.33, 24.60 ppm; 3.21 A): 2 out of 8 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 2.3-2.9 2.9=100 HB2 LYS 13 - HG3 LYS 32 far 9 90 10 - 3.3-28.2 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.4-8.2 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 7.7-27.7 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 8.3-10.8 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 8.4-10.3 HB2 LEU 57 - HG3 LYS 32 far 0 99 0 - 9.3-13.4 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 8 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 2.3-2.9 2.9=100 HB2 LYS 13 - HG3 LYS 32 far 9 90 10 - 3.3-28.2 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.4-8.2 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 7.7-27.7 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 8.3-10.8 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 8.4-10.3 HB2 LEU 57 - HG3 LYS 32 far 0 99 0 - 9.3-13.4 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 - 5.2-9.2 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 2.3-3.0 3.0=100 HD3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 27 - HG3 LYS 32 far 0 78 0 - 9.0-13.0 HG2 ARG 27 - HG3 LYS 32 far 0 81 0 - 9.1-13.0 HG2 ARG 17 - HG3 LYS 32 far 0 99 0 - 9.3-29.3 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 2.2-3.0 3.0=100 HD2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 27 - HG3 LYS 32 far 0 83 0 - 9.0-13.0 HG2 ARG 27 - HG3 LYS 32 far 0 85 0 - 9.1-13.0 HG2 ARG 17 - HG3 LYS 32 far 0 99 0 - 9.3-29.3 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 2.0-3.9 3.9=100 HE3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.0-4.2 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 9 95 10 - 4.5-29.6 HE2 LYS 13 - HG3 LYS 32 far 9 93 10 - 3.3-29.3 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 2.0-4.2 3.9=100 HE2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.0-3.9 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 10 96 10 - 4.5-29.6 HE2 LYS 13 - HG3 LYS 32 far 9 95 10 - 3.3-29.3 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 5 out of 12 assignments used, quality = 1.00: * H LYS 32 + HD2 LYS 32 OK 100 100 100 100 4.6-5.5 564/3.0=81, 1594/3.0=76...(17) H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.6-5.6 564/3.0=81, 1594/3.0=76...(17) H ARG 70 + HG2 ARG 71 OK 83 91 95 95 3.9-6.9 303/5.0=56, 771=39...(17) H VAL 76 + HD3 LYS 73 OK 34 85 60 66 3.8-11.8 5431/5.2=37, 341/3.5=15...(11) H VAL 76 + HD2 LYS 73 OK 27 85 50 65 3.7-12.2 5431/5.2=37, 341/3.5=15...(11) H ARG 70 - HD3 LYS 73 far 14 96 15 - 5.3-9.9 H ASP 67 - HG2 ARG 71 poor 14 94 35 42 5.6-8.8 3.0/5050=27, 2864/2869=4...(9) H ARG 70 - HD2 LYS 73 far 10 96 10 - 5.7-10.1 H VAL 76 - HG2 ARG 71 far 4 80 5 - 6.0-14.0 H LEU 29 - HD3 LYS 32 far 0 96 0 - 8.1-10.7 H LEU 29 - HD2 LYS 32 far 0 97 0 - 8.3-10.5 H ASP 67 - HD3 LYS 73 far 0 97 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.37 A): 4 out of 21 assignments used, quality = 1.00: * HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.3-5.1 1558/3.0=76, 1559/3.0=75...(44) HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-5.5 1558/3.0=76, 1559/3.0=75...(45) HA ARG 70 + HG2 ARG 71 OK 40 66 70 87 4.9-7.0 3.6/2920=34, 2.9/771=27...(16) HA ARG 70 + HD3 LYS 73 OK 21 71 50 61 4.2-7.8 15061/3.5=25...(6) HA ARG 70 - HD2 LYS 73 poor 17 71 40 60 4.2-7.7 15061/3.5=25...(6) HA2 GLY 72 - HG2 ARG 71 far 13 89 15 - 3.7-7.2 HA VAL 76 - HD3 LYS 73 poor 13 98 25 54 5.1-12.9 ~5257=18, ~5255=11...(15) HA2 GLY 72 - HD3 LYS 73 far 9 93 10 - 4.5-7.9 HA2 GLY 72 - HD2 LYS 73 far 9 93 10 - 5.6-8.5 HA VAL 76 - HD2 LYS 73 far 0 98 0 - 6.1-13.4 HA GLN 61 - HD3 LYS 32 far 0 95 0 - 7.0-11.8 HA ARG 66 - HG2 ARG 71 far 0 98 0 - 7.0-10.6 HA GLN 61 - HD2 LYS 32 far 0 96 0 - 7.1-11.5 HA3 GLY 21 - HG2 ARG 71 far 0 64 0 - 7.4-21.6 HA VAL 76 - HG2 ARG 71 far 0 94 0 - 7.9-14.3 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.0-14.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.1-14.4 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.4-10.4 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.7-10.2 HA2 GLY 21 - HG2 ARG 71 far 0 66 0 - 9.0-20.7 HA GLU 50 - HD3 LYS 39 far 0 55 0 - 9.9-13.8 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 53 assignments used, quality = 1.00: HB3 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.1-3.8 3.5=47, 1.8/1571=12...(37) HB3 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.0-3.9 3.5=47, 1581/1.8=12...(37) HB2 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.3-4.1 3.5=47, 1.8/1571=12...(37) * HB2 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.2-4.1 3.5=47, 1.8/1581=12...(37) HB3 LYS 73 + HD3 LYS 73 OK 82 100 100 82 2.3-3.9 3.5=45, 3.0/3009=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 77 100 95 82 2.3-4.2 3.5=45, 3.0/3009=13...(28) HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 58 61 100 95 2.0-3.6 3.5=45, 2.9/1868=15...(41) HB3 LYS 39 + HD3 LYS 39 OK 56 59 100 95 2.1-3.8 3.5=45, 2.9/1868=15...(41) HB3 LYS 75 - HD2 LYS 73 poor 19 93 20 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 6 93 30 20 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 3 53 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 5.6-30.4 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 5.8-29.6 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 5.9-9.2 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 99 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 6.7-11.4 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 6.8-29.7 HB3 ARG 17 - HD2 LYS 39 far 0 31 0 - 6.8-25.4 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 6.9-12.0 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 7.0-25.7 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 99 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 95 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 95 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 99 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.4-12.5 HB3 ARG 17 - HG2 ARG 71 far 0 53 0 - 9.5-26.0 HB3 LYS 39 - HD2 LYS 73 far 0 98 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 99 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 56 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 31 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 60 0 - 10.0-14.7 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 53 assignments used, quality = 1.00: HB3 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.1-3.8 3.5=47, 1.8/1571=12...(37) * HB3 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.0-3.9 3.5=47, 1581/1.8=12...(37) HB2 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.3-4.1 3.5=47, 1.8/1571=12...(37) HB2 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.2-4.1 3.5=47, 1.8/1581=12...(37) HB3 LYS 73 + HD3 LYS 73 OK 82 100 100 82 2.3-3.9 3.5=45, 3.0/3009=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 77 100 95 82 2.3-4.2 3.5=45, 3.0/3009=13...(28) HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 58 61 100 95 2.0-3.6 3.5=45, 2.9/1868=15...(41) HB3 LYS 39 + HD3 LYS 39 OK 56 59 100 95 2.1-3.8 3.5=45, 2.9/1868=15...(41) HB3 LYS 75 - HD2 LYS 73 poor 19 93 20 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 6 93 30 20 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 3 53 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 5.6-30.4 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 5.8-29.6 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 5.9-9.2 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 99 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 6.7-11.4 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 6.8-29.7 HB3 ARG 17 - HD2 LYS 39 far 0 31 0 - 6.8-25.4 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 6.9-12.0 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 7.0-25.7 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 99 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 95 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 95 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 99 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.4-12.5 HB3 ARG 17 - HG2 ARG 71 far 0 53 0 - 9.5-26.0 HB3 LYS 39 - HD2 LYS 73 far 0 98 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 99 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 56 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 31 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 60 0 - 10.0-14.7 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 2.4-3.0 3.0=100 HG2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 QG2 THR 58 - HD3 LYS 32 far 6 60 10 - 5.7-10.5 QG2 THR 58 - HD2 LYS 32 far 3 60 5 - 5.5-9.3 HG2 ARG 54 - HD3 LYS 39 far 0 40 0 - 7.3-13.9 HG2 ARG 54 - HD2 LYS 39 far 0 42 0 - 8.7-14.1 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 2.3-3.0 3.0=100 HG3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 51 - HD3 LYS 39 poor 12 60 20 - 3.9-8.7 QB ALA 12 - HD3 LYS 32 far 10 100 10 - 3.2-23.9 QB ALA 12 - HD2 LYS 32 far 10 100 10 - 4.4-23.8 QG2 THR 58 - HD3 LYS 32 far 9 90 10 - 5.7-10.5 HB2 LEU 51 - HD2 LYS 39 far 6 63 10 - 4.8-8.7 QG2 THR 58 - HD2 LYS 32 far 5 90 5 - 5.5-9.3 HG2 ARG 54 - HD3 LYS 39 far 0 42 0 - 7.3-13.9 QB ALA 28 - HD3 LYS 39 far 0 58 0 - 7.5-9.6 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 7.6-9.8 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 7.6-9.9 QB ALA 28 - HG2 ARG 71 far 0 94 0 - 8.0-12.1 QB ALA 28 - HD2 LYS 39 far 0 61 0 - 8.1-10.5 QB ALA 12 - HD2 LYS 39 far 0 65 0 - 8.3-30.7 HG2 ARG 54 - HD2 LYS 39 far 0 44 0 - 8.7-14.1 HB2 LEU 52 - HD3 LYS 39 far 0 60 0 - 8.7-13.4 QB ALA 12 - HD3 LYS 39 far 0 62 0 - 9.6-29.2 HB2 LEU 52 - HD2 LYS 39 far 0 63 0 - 9.8-13.6 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 35 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 9 94 10 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 9 93 10 - 2.9-31.6 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 5 99 5 - 4.6-12.8 HE2 LYS 13 - HD2 LYS 32 far 5 93 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 68 5 - 4.0-18.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 64 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 93 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 68 0 - 9.9-18.2 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 35 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 40 40 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 10 95 10 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 9 94 10 - 2.9-31.6 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 5 99 5 - 4.6-12.8 HE2 LYS 13 - HD2 LYS 32 far 5 95 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 4 71 5 - 4.0-18.5 HE3 LYS 13 - HD2 LYS 32 far 0 96 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 96 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 71 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 58 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 56 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 66 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 57 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 55 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 52 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 55 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 92 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 71 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 1614 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 5 out of 12 assignments used, quality = 1.00: * H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.6-5.6 564/3.0=81, 1594/3.0=76...(17) H LYS 32 + HD2 LYS 32 OK 100 100 100 100 4.6-5.5 564/3.0=81, 1594/3.0=76...(17) H ARG 70 + HG2 ARG 71 OK 84 93 95 95 3.9-6.9 303/5.0=56, 771=39...(17) H VAL 76 + HD3 LYS 73 OK 33 85 60 66 3.8-11.8 5431/5.2=37, 341/3.5=15...(10) H VAL 76 + HD2 LYS 73 OK 27 85 50 65 3.7-12.2 5431/5.2=37, 341/3.5=15...(11) H ARG 70 - HD3 LYS 73 far 14 95 15 - 5.3-9.9 H ASP 67 - HG2 ARG 71 poor 14 95 35 42 5.6-8.8 3.0/5050=27, 2864/2869=4...(9) H ARG 70 - HD2 LYS 73 far 10 95 10 - 5.7-10.1 H VAL 76 - HG2 ARG 71 far 4 82 5 - 6.0-14.0 H LEU 29 - HD3 LYS 32 far 0 97 0 - 8.1-10.7 H LEU 29 - HD2 LYS 32 far 0 96 0 - 8.3-10.5 H ASP 67 - HD3 LYS 73 far 0 97 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.37 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-5.5 1558/3.0=76, 1559/3.0=75...(45) HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.3-5.1 1558/3.0=76, 1559/3.0=75...(44) HA ARG 70 + HG2 ARG 71 OK 42 68 70 88 4.9-7.0 3.6/2920=35, 2.9/771=27...(16) HA ARG 70 + HD3 LYS 73 OK 21 71 50 61 4.2-7.8 15061/3.5=25...(6) HA ARG 70 - HD2 LYS 73 poor 17 71 40 60 4.2-7.7 15061/3.5=25...(6) HA2 GLY 72 - HG2 ARG 71 far 14 90 15 - 3.7-7.2 HA VAL 76 - HD3 LYS 73 poor 13 98 25 54 5.1-12.9 ~5257=18, ~5255=11...(15) HA2 GLY 72 - HD3 LYS 73 far 9 93 10 - 4.5-7.9 HA2 GLY 72 - HD2 LYS 73 far 9 93 10 - 5.6-8.5 HA VAL 76 - HD2 LYS 73 far 0 98 0 - 6.1-13.4 HA GLN 61 - HD3 LYS 32 far 0 96 0 - 7.0-11.8 HA ARG 66 - HG2 ARG 71 far 0 99 0 - 7.0-10.6 HA GLN 61 - HD2 LYS 32 far 0 95 0 - 7.1-11.5 HA3 GLY 21 - HG2 ARG 71 far 0 65 0 - 7.4-21.6 HA VAL 76 - HG2 ARG 71 far 0 96 0 - 7.9-14.3 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.0-14.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.1-14.4 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.4-10.4 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.7-10.2 HA2 GLY 21 - HG2 ARG 71 far 0 68 0 - 9.0-20.7 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 44 assignments used, quality = 1.00: HB3 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.1-3.8 3.5=47, 1.8/1571=12...(37) * HB2 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.3-4.1 3.5=47, 1.8/1571=12...(37) HB3 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.0-3.9 3.5=47, 1.8/1581=12...(37) HB2 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.2-4.1 3.5=47, 1.8/1581=12...(37) HB3 LYS 73 + HD3 LYS 73 OK 82 100 100 82 2.3-3.9 3.5=45, 3.0/3009=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 77 100 95 82 2.3-4.2 3.5=45, 3.0/3019=13...(28) HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 53 56 100 94 2.0-3.6 3.5=45, 2.9/1868=14...(41) HB3 LYS 75 - HD2 LYS 73 poor 19 93 20 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 6 93 30 20 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 2 49 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.4-11.1 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 5.8-29.6 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 5.9-9.2 HB2 LYS 83 - HD2 LYS 73 far 0 99 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 6.7-11.4 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 6.8-29.7 HB3 ARG 17 - HD2 LYS 39 far 0 28 0 - 6.8-25.4 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 6.9-12.0 HB3 ARG 82 - HD2 LYS 73 far 0 99 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.3-11.4 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 97 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 97 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 99 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.4-12.5 HB3 ARG 17 - HG2 ARG 71 far 0 55 0 - 9.5-26.0 HB3 LYS 39 - HD2 LYS 73 far 0 98 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 99 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 57 0 - 9.8-35.0 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 9.9-13.4 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 44 assignments used, quality = 1.00: * HB3 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.1-3.8 3.5=47, 1.8/1571=12...(37) HB2 LYS 32 + HD3 LYS 32 OK 92 100 100 92 2.3-4.1 3.5=47, 1.8/1571=12...(37) HB3 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.0-3.9 3.5=47, 1.8/1581=12...(37) HB2 LYS 32 + HD2 LYS 32 OK 92 100 100 92 2.2-4.1 3.5=47, 1.8/1581=12...(37) HB3 LYS 73 + HD3 LYS 73 OK 82 100 100 82 2.3-3.9 3.5=45, 3.0/3009=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 77 100 95 82 2.3-4.2 3.5=45, 3.0/3019=13...(28) HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HD2 LYS 39 OK 53 56 100 94 2.0-3.6 3.5=45, 2.9/1868=14...(41) HB3 LYS 75 - HD2 LYS 73 poor 19 93 20 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 6 93 30 20 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 2 49 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.4-11.1 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 5.8-29.6 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 5.9-9.2 HB2 LYS 83 - HD2 LYS 73 far 0 99 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 6.7-11.4 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 6.8-29.7 HB3 ARG 17 - HD2 LYS 39 far 0 28 0 - 6.8-25.4 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 6.9-12.0 HB3 ARG 82 - HD2 LYS 73 far 0 99 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 7.3-11.4 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 97 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 97 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 99 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.4-12.5 HB3 ARG 17 - HG2 ARG 71 far 0 55 0 - 9.5-26.0 HB3 LYS 39 - HD2 LYS 73 far 0 98 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 99 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 57 0 - 9.8-35.0 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 9.9-13.4 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 2.4-3.0 3.0=100 QG2 THR 58 - HD3 LYS 32 far 6 60 10 - 5.7-10.5 QG2 THR 58 - HD2 LYS 32 far 3 60 5 - 5.5-9.3 HG2 ARG 54 - HD2 LYS 39 far 0 38 0 - 8.7-14.1 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 2.2-3.0 3.0=100 HG3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 12 - HD3 LYS 32 far 10 100 10 - 3.2-23.9 QB ALA 12 - HD2 LYS 32 far 10 100 10 - 4.4-23.8 QG2 THR 58 - HD3 LYS 32 far 9 90 10 - 5.7-10.5 HB2 LEU 51 - HD2 LYS 39 far 6 58 10 - 4.8-8.7 QG2 THR 58 - HD2 LYS 32 far 5 90 5 - 5.5-9.3 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 7.6-9.8 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 7.6-9.9 QB ALA 28 - HG2 ARG 71 far 0 95 0 - 8.0-12.1 QB ALA 28 - HD2 LYS 39 far 0 55 0 - 8.1-10.5 QB ALA 12 - HD2 LYS 39 far 0 59 0 - 8.3-30.7 HG2 ARG 54 - HD2 LYS 39 far 0 40 0 - 8.7-14.1 HB2 LEU 52 - HD2 LYS 39 far 0 58 0 - 9.8-13.6 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 30 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 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 34 34 100 100 2.3-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 9 95 10 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 9 93 10 - 2.9-31.6 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 5 99 5 - 4.6-12.8 HE2 LYS 13 - HD2 LYS 32 far 5 93 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 68 5 - 4.0-18.5 HE3 LYS 13 - HD2 LYS 32 far 0 94 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 97 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 52 0 - 5.7-30.5 HB3 TYR 81 - HG2 ARG 71 far 0 65 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 51 0 - 6.8-30.7 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 51 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 93 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 68 0 - 9.9-18.2 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 30 assignments used, quality = 1.00: * HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 38 38 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 35 35 100 100 2.3-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 10 96 10 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 9 95 10 - 2.9-31.6 HE3 LYS 75 - HD3 LYS 73 far 5 99 5 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 5 99 5 - 4.6-12.8 HE2 LYS 13 - HD2 LYS 32 far 5 94 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 4 71 5 - 4.0-18.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 98 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 71 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 53 0 - 5.7-30.5 HB3 TYR 81 - HG2 ARG 71 far 0 68 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 52 0 - 6.8-30.7 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 50 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 92 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 71 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 72 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-4.8 4.6=47, 2.9/1628=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.4-4.6 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.5-4.7 4.6=47, 2.9/1628=27...(43) * HB2 LYS 32 + HE2 LYS 32 OK 93 100 95 98 2.0-5.3 4.6=47, 2.9/1628=27...(43) HB3 LYS 73 + HE3 LYS 73 OK 89 100 95 94 3.1-5.1 4.7=44, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 88 91 100 97 2.4-4.7 5.0=37, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 80 100 85 94 2.6-5.4 4.7=44, ~3020=17...(30) HB2 LYS 13 + HE3 LYS 13 OK 74 78 100 96 2.1-4.8 5.2=32, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 74 90 85 97 3.2-5.4 5.0=37, ~3128=17...(36) HB2 LYS 13 + HE2 LYS 13 OK 70 76 95 96 2.2-5.4 5.2=32, 1002/2.9=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 68 69 100 98 3.4-5.0 4.7=44, ~1916=17...(40) HB3 LYS 39 + HE3 LYS 39 OK 63 64 100 98 1.9-5.0 4.7=44, ~1906=17...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 93 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 93 30 30 2.3-11.0 2982/3.7=3, 2985/3.0=3...(20) HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.8-30.7 HB2 LYS 13 - HE3 LYS 32 far 5 90 5 - 4.8-31.7 HG3 ARG 71 - HE2 LYS 75 far 4 75 5 - 5.0-17.8 HB2 LYS 13 - HE2 LYS 39 far 3 60 5 - 4.5-31.8 HB2 ARG 69 - HE2 LYS 73 far 3 60 5 - 4.9-12.3 HB3 ARG 17 - HE2 LYS 32 far 3 57 5 - 3.9-30.2 HB2 LYS 13 - HE3 LYS 39 far 3 56 5 - 4.6-32.3 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.2-31.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 68 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.7-13.4 HB3 ARG 17 - HE2 LYS 13 far 0 46 0 - 7.0-18.1 HB2 LYS 83 - HE2 LYS 73 far 0 99 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 99 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 58 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 68 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 99 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 88 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 59 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.6 HB3 ARG 17 - HE3 LYS 39 far 0 32 0 - 7.9-27.9 HB2 ARG 69 - HE3 LYS 75 far 0 58 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 90 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 86 0 - 8.2-30.7 HB3 ARG 17 - HE3 LYS 13 far 0 47 0 - 8.7-17.9 HB ILE 33 - HE2 LYS 13 far 0 89 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 87 0 - 8.9-34.6 HB3 ARG 17 - HE2 LYS 39 far 0 35 0 - 9.1-26.6 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 57 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 34 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 37 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 71 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 72 assignments used, quality = 1.00: * HB3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-4.8 4.6=47, 2.9/1628=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.4-4.6 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.5-4.7 4.6=47, 2.9/1628=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 93 100 95 98 2.0-5.3 4.6=47, 2.9/1628=27...(43) HB3 LYS 73 + HE3 LYS 73 OK 89 100 95 94 3.1-5.1 4.7=44, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 88 91 100 97 2.4-4.7 5.0=37, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 80 100 85 94 2.6-5.4 4.7=44, ~3020=17...(30) HB2 LYS 13 + HE3 LYS 13 OK 74 78 100 96 2.1-4.8 5.2=32, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 74 90 85 97 3.2-5.4 5.0=37, ~3128=17...(36) HB2 LYS 13 + HE2 LYS 13 OK 70 76 95 96 2.2-5.4 5.2=32, 1002/2.9=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 68 69 100 98 3.4-5.0 4.7=44, ~1916=17...(40) HB3 LYS 39 + HE3 LYS 39 OK 63 64 100 98 1.9-5.0 4.7=44, ~1906=17...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 93 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 93 30 30 2.3-11.0 2982/3.7=3, 2985/3.0=3...(20) HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.8-30.7 HB2 LYS 13 - HE3 LYS 32 far 5 90 5 - 4.8-31.7 HG3 ARG 71 - HE2 LYS 75 far 4 75 5 - 5.0-17.8 HB2 LYS 13 - HE2 LYS 39 far 3 60 5 - 4.5-31.8 HB2 ARG 69 - HE2 LYS 73 far 3 60 5 - 4.9-12.3 HB3 ARG 17 - HE2 LYS 32 far 3 57 5 - 3.9-30.2 HB2 LYS 13 - HE3 LYS 39 far 3 56 5 - 4.6-32.3 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.2-31.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 68 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.7-13.4 HB3 ARG 17 - HE2 LYS 13 far 0 46 0 - 7.0-18.1 HB2 LYS 83 - HE2 LYS 73 far 0 99 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 99 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 58 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 68 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 99 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 88 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 59 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.6 HB3 ARG 17 - HE3 LYS 39 far 0 32 0 - 7.9-27.9 HB2 ARG 69 - HE3 LYS 75 far 0 58 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 90 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 86 0 - 8.2-30.7 HB3 ARG 17 - HE3 LYS 13 far 0 47 0 - 8.7-17.9 HB ILE 33 - HE2 LYS 13 far 0 89 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 87 0 - 8.9-34.6 HB3 ARG 17 - HE2 LYS 39 far 0 35 0 - 9.1-26.6 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 57 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 34 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 37 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 71 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.9-13.2 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 + HE2 LYS 32 OK 99 100 100 99 2.1-4.0 3.9=84, 1.8/1629=36...(49) HG2 LYS 32 + HE3 LYS 32 OK 99 100 100 99 2.0-4.2 3.9=84, 1.8/1629=36...(49) HG2 LYS 32 - HE3 LYS 13 far 14 91 15 - 4.0-30.1 HG2 LYS 32 - HE2 LYS 13 far 9 90 10 - 3.3-30.0 QG2 THR 58 - HE3 LYS 32 far 6 60 10 - 4.7-9.8 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 5.3-10.8 HG2 ARG 54 - HE2 LYS 39 far 0 48 0 - 6.6-12.6 HG2 ARG 54 - HE3 LYS 39 far 0 44 0 - 7.0-14.2 HG2 ARG 54 - HE3 LYS 13 far 0 64 0 - 7.2-35.9 HG2 ARG 54 - HE2 LYS 13 far 0 62 0 - 8.6-36.6 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 30 assignments used, quality = 1.00: * HG3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-3.9 3.9=69, 1.8/1628=33...(49) HG3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.0-4.2 3.9=69, 1.8/1628=33...(49) HB2 LEU 51 - HE2 LYS 39 poor 18 71 25 - 3.3-9.6 HB2 LEU 51 - HE3 LYS 39 poor 17 66 55 48 3.4-10.0 ~6088=11, ~4948=10...(9) QB ALA 12 - HE2 LYS 13 far 13 89 15 - 4.7-8.3 HG3 LYS 32 - HE3 LYS 13 far 9 91 10 - 4.5-29.6 QG2 THR 58 - HE3 LYS 32 far 9 90 10 - 4.7-9.8 HG3 LYS 32 - HE2 LYS 13 far 9 90 10 - 3.3-29.3 QB ALA 12 - HE3 LYS 32 far 5 100 5 - 3.5-24.4 QB ALA 12 - HE2 LYS 32 far 5 100 5 - 4.8-23.8 QB ALA 12 - HE3 LYS 13 far 0 90 0 - 5.1-8.1 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 5.3-10.8 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 6.6-12.6 QB ALA 28 - HE2 LYS 75 far 0 95 0 - 6.8-20.8 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.0-14.2 HG2 ARG 54 - HE3 LYS 13 far 0 66 0 - 7.2-35.9 HB2 LEU 51 - HE3 LYS 13 far 0 89 0 - 7.2-33.1 QB ALA 28 - HE3 LYS 75 far 0 95 0 - 7.3-19.9 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.4-10.6 QB ALA 28 - HE2 LYS 39 far 0 68 0 - 7.6-11.0 QB ALA 28 - HE3 LYS 13 far 0 86 0 - 7.6-21.5 QB ALA 28 - HE2 LYS 13 far 0 85 0 - 7.7-21.2 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 7.7-10.7 HB2 LEU 52 - HE2 LYS 39 far 0 71 0 - 8.5-14.4 QB ALA 12 - HE2 LYS 39 far 0 73 0 - 8.6-29.0 HG2 ARG 54 - HE2 LYS 13 far 0 65 0 - 8.6-36.6 HB2 LEU 52 - HE3 LYS 39 far 0 66 0 - 8.9-15.0 HB2 LEU 51 - HE2 LYS 13 far 0 87 0 - 8.9-33.6 QB ALA 28 - HE3 LYS 39 far 0 63 0 - 9.0-10.8 QB ALA 12 - HE3 LYS 39 far 0 67 0 - 9.2-30.5 Violated in 1 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 60 assignments used, quality = 1.00: * HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 32 - HE2 LYS 13 far 9 90 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 84 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 85 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 94 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 77 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 68 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 76 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 85 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 94 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 65 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 78 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 66 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 65 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 67 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 68 0 - 9.9-18.2 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 56 assignments used, quality = 1.00: * HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 32 37 100 87 2.3-3.0 3.0=71, 1886/3.6=10...(23) HD2 LYS 39 + HE3 LYS 39 OK 29 34 100 87 2.3-3.0 3.0=71, 1886/3.6=10...(23) HD3 LYS 32 - HE2 LYS 13 far 9 90 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 49 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 6.2-20.1 HG2 ARG 26 - HE2 LYS 13 far 0 86 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 87 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 48 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 79 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 7.3-19.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 96 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 89 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 81 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 71 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 72 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 66 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 80 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 82 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 96 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 71 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 66 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 82 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 70 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 69 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 71 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 68 0 - 9.9-18.2 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 34 assignments used, quality = 1.00: HA LYS 32 + HE2 LYS 32 OK 100 100 100 100 3.1-6.1 1558/3.9=73, 1559/3.9=71...(37) * HA LYS 32 + HE3 LYS 32 OK 100 100 100 100 3.4-6.0 1558/3.9=73, 1559/3.9=71...(37) HA VAL 76 - HE3 LYS 75 poor 20 97 25 81 5.9-8.4 5853/5.0=40, 5851/6.7=19...(11) HA VAL 76 - HE2 LYS 75 poor 20 96 25 81 5.3-9.1 5853/5.0=40, 5851/6.7=19...(11) HA2 GLY 72 - HE3 LYS 75 poor 17 92 25 74 4.1-13.7 16031/5.0=44...(3) HA LYS 32 - HE3 LYS 13 far 14 93 15 - 4.2-30.7 HA LYS 32 - HE2 LYS 13 far 14 91 15 - 4.7-30.4 HA2 GLY 72 - HE2 LYS 75 far 14 91 15 - 5.6-14.0 HA ARG 70 - HE3 LYS 73 poor 12 71 30 58 4.9-8.8 15061/4.7=24...(6) HA ARG 70 - HE2 LYS 73 far 11 71 15 - 4.1-9.3 HA VAL 76 - HE2 LYS 73 far 10 98 10 - 3.7-13.4 HA VAL 76 - HE3 LYS 73 far 10 98 10 - 4.7-11.7 HA3 GLY 21 - HE3 LYS 75 far 7 66 10 - 3.4-27.6 HA3 GLY 21 - HE2 LYS 75 far 7 66 10 - 3.6-26.6 HA2 GLY 72 - HE2 LYS 73 far 5 93 5 - 6.2-9.6 HA2 GLY 21 - HE3 LYS 75 far 3 69 5 - 3.8-28.2 HA2 GLY 21 - HE2 LYS 75 far 3 68 5 - 4.6-27.2 HA ARG 70 - HE3 LYS 75 far 0 69 0 - 6.7-13.5 HA GLN 61 - HE3 LYS 32 far 0 96 0 - 6.9-12.0 HA2 GLY 72 - HE3 LYS 73 far 0 93 0 - 6.9-9.4 HA ARG 70 - HE2 LYS 75 far 0 68 0 - 7.1-13.9 HA GLN 61 - HE2 LYS 32 far 0 96 0 - 7.2-11.4 HA ARG 66 - HE2 LYS 73 far 0 100 0 - 7.8-15.4 HA ALA 28 - HE2 LYS 32 far 0 85 0 - 8.0-11.3 HA ALA 28 - HE3 LYS 13 far 0 74 0 - 8.1-25.2 HA ALA 28 - HE3 LYS 32 far 0 85 0 - 8.3-11.2 HA ALA 28 - HE2 LYS 13 far 0 72 0 - 8.4-25.8 HA ARG 66 - HE3 LYS 73 far 0 100 0 - 8.9-14.5 HA ALA 28 - HE2 LYS 75 far 0 82 0 - 9.2-25.5 HA GLU 50 - HE2 LYS 39 far 0 67 0 - 9.3-14.4 HA GLU 50 - HE3 LYS 39 far 0 62 0 - 9.3-14.8 HA ARG 66 - HE3 LYS 75 far 0 99 0 - 9.7-19.3 HA GLN 61 - HE3 LYS 13 far 0 85 0 - 9.8-28.0 HA ARG 66 - HE3 LYS 39 far 0 71 0 - 10.0-15.7 Violated in 1 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 72 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-4.8 4.6=47, 2.9/1638=27...(43) HB3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.4-4.6 4.6=47, 2.9/1638=27...(43) * HB2 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.5-4.7 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 93 100 95 98 2.0-5.3 4.6=47, 2.9/1638=27...(43) HB3 LYS 73 + HE3 LYS 73 OK 89 100 95 94 3.1-5.1 4.7=44, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 88 92 100 97 2.4-4.7 5.0=37, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 80 100 85 94 2.6-5.4 4.7=44, ~3020=17...(30) HB2 LYS 13 + HE3 LYS 13 OK 76 79 100 96 2.1-4.8 5.2=32, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 75 91 85 97 3.2-5.4 5.0=37, ~3128=17...(36) HB2 LYS 13 + HE2 LYS 13 OK 71 78 95 96 2.2-5.4 5.2=32, 1002/2.9=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 70 72 100 98 3.4-5.0 4.7=44, ~1916=17...(40) HB3 LYS 39 + HE3 LYS 39 OK 65 67 100 98 1.9-5.0 4.7=44, ~1906=17...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 93 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 93 30 30 2.3-11.0 2982/3.7=3, 2985/3.0=3...(20) HB2 LYS 13 - HE3 LYS 32 far 5 90 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.8-30.7 HG3 ARG 71 - HE2 LYS 75 far 4 76 5 - 5.0-17.8 HB2 LYS 13 - HE2 LYS 39 far 3 63 5 - 4.5-31.8 HB2 ARG 69 - HE2 LYS 73 far 3 60 5 - 4.9-12.3 HB2 LYS 13 - HE3 LYS 39 far 3 58 5 - 4.6-32.3 HB3 ARG 17 - HE2 LYS 32 far 3 57 5 - 3.9-30.2 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.2-31.3 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 93 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 69 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.7-13.4 HB3 ARG 17 - HE2 LYS 13 far 0 47 0 - 7.0-18.1 HB2 LYS 83 - HE2 LYS 73 far 0 99 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 99 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 59 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 88 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 68 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 99 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 89 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 60 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.6 HB3 ARG 17 - HE3 LYS 39 far 0 34 0 - 7.9-27.9 HB2 ARG 69 - HE3 LYS 75 far 0 58 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 91 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 8.2-30.7 HB3 ARG 17 - HE3 LYS 13 far 0 48 0 - 8.7-17.9 HB ILE 33 - HE2 LYS 13 far 0 90 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 88 0 - 8.9-34.6 HB3 ARG 17 - HE2 LYS 39 far 0 37 0 - 9.1-26.6 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 58 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 35 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 38 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 73 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 72 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-4.8 4.6=47, 2.9/1638=27...(43) * HB3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.4-4.6 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.5-4.7 4.6=47, 2.9/1638=27...(43) HB2 LYS 32 + HE2 LYS 32 OK 93 100 95 98 2.0-5.3 4.6=47, 2.9/1638=27...(43) HB3 LYS 73 + HE3 LYS 73 OK 89 100 95 94 3.1-5.1 4.7=44, ~3020=17...(30) HB3 LYS 75 + HE3 LYS 75 OK 88 92 100 97 2.4-4.7 5.0=37, ~3128=17...(36) HB3 LYS 73 + HE2 LYS 73 OK 80 100 85 94 2.6-5.4 4.7=44, ~3020=17...(30) HB2 LYS 13 + HE3 LYS 13 OK 76 79 100 96 2.1-4.8 5.2=32, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 75 91 85 97 3.2-5.4 5.0=37, ~3128=17...(36) HB2 LYS 13 + HE2 LYS 13 OK 71 78 95 96 2.2-5.4 5.2=32, 1002/2.9=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 70 72 100 98 3.4-5.0 4.7=44, ~1916=17...(40) HB3 LYS 39 + HE3 LYS 39 OK 65 67 100 98 1.9-5.0 4.7=44, ~1906=17...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 93 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 93 30 30 2.3-11.0 2982/3.7=3, 2985/3.0=3...(20) HB2 LYS 13 - HE3 LYS 32 far 5 90 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 5 90 5 - 4.8-30.7 HG3 ARG 71 - HE2 LYS 75 far 4 76 5 - 5.0-17.8 HB2 LYS 13 - HE2 LYS 39 far 3 63 5 - 4.5-31.8 HB2 ARG 69 - HE2 LYS 73 far 3 60 5 - 4.9-12.3 HB2 LYS 13 - HE3 LYS 39 far 3 58 5 - 4.6-32.3 HB3 ARG 17 - HE2 LYS 32 far 3 57 5 - 3.9-30.2 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 5.2-31.3 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 93 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 69 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.7-13.4 HB3 ARG 17 - HE2 LYS 13 far 0 47 0 - 7.0-18.1 HB2 LYS 83 - HE2 LYS 73 far 0 99 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 99 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 59 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 88 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 68 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 99 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 89 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 60 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 7.9-10.6 HB3 ARG 17 - HE3 LYS 39 far 0 34 0 - 7.9-27.9 HB2 ARG 69 - HE3 LYS 75 far 0 58 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 91 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 8.2-30.7 HB3 ARG 17 - HE3 LYS 13 far 0 48 0 - 8.7-17.9 HB ILE 33 - HE2 LYS 13 far 0 90 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 88 0 - 8.9-34.6 HB3 ARG 17 - HE2 LYS 39 far 0 37 0 - 9.1-26.6 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 58 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 35 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 99 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 38 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 73 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 9.9-13.2 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=36...(49) HG2 LYS 32 + HE2 LYS 32 OK 99 100 100 99 2.1-4.0 3.9=84, 1.8/1629=36...(49) HG2 LYS 32 - HE3 LYS 13 far 14 93 15 - 4.0-30.1 HG2 LYS 32 - HE2 LYS 13 far 9 91 10 - 3.3-30.0 QG2 THR 58 - HE3 LYS 32 far 6 60 10 - 4.7-9.8 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 5.3-10.8 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 6.6-12.6 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.0-14.2 HG2 ARG 54 - HE3 LYS 13 far 0 65 0 - 7.2-35.9 HG2 ARG 54 - HE2 LYS 13 far 0 64 0 - 8.6-36.6 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 30 assignments used, quality = 1.00: * HG3 LYS 32 + HE3 LYS 32 OK 98 100 100 98 2.0-4.2 3.9=69, 1.8/1638=33...(49) HG3 LYS 32 + HE2 LYS 32 OK 98 100 100 98 2.0-3.9 3.9=69, 1.8/1638=33...(49) HB2 LEU 51 - HE2 LYS 39 poor 18 73 25 - 3.3-9.6 HB2 LEU 51 - HE3 LYS 39 poor 18 68 55 49 3.4-10.0 ~6088=11, ~4948=10...(9) QB ALA 12 - HE2 LYS 13 far 14 90 15 - 4.7-8.3 HG3 LYS 32 - HE3 LYS 13 far 9 93 10 - 4.5-29.6 HG3 LYS 32 - HE2 LYS 13 far 9 91 10 - 3.3-29.3 QG2 THR 58 - HE3 LYS 32 far 9 90 10 - 4.7-9.8 QB ALA 12 - HE3 LYS 32 far 5 100 5 - 3.5-24.4 QB ALA 12 - HE2 LYS 32 far 5 100 5 - 4.8-23.8 QB ALA 12 - HE3 LYS 13 far 0 92 0 - 5.1-8.1 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 5.3-10.8 HG2 ARG 54 - HE2 LYS 39 far 0 52 0 - 6.6-12.6 QB ALA 28 - HE2 LYS 75 far 0 95 0 - 6.8-20.8 HG2 ARG 54 - HE3 LYS 39 far 0 48 0 - 7.0-14.2 HG2 ARG 54 - HE3 LYS 13 far 0 67 0 - 7.2-35.9 HB2 LEU 51 - HE3 LYS 13 far 0 90 0 - 7.2-33.1 QB ALA 28 - HE3 LYS 75 far 0 96 0 - 7.3-19.9 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.4-10.6 QB ALA 28 - HE2 LYS 39 far 0 71 0 - 7.6-11.0 QB ALA 28 - HE3 LYS 13 far 0 87 0 - 7.6-21.5 QB ALA 28 - HE2 LYS 13 far 0 86 0 - 7.7-21.2 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 7.7-10.7 HB2 LEU 52 - HE2 LYS 39 far 0 73 0 - 8.5-14.4 QB ALA 12 - HE2 LYS 39 far 0 75 0 - 8.6-29.0 HG2 ARG 54 - HE2 LYS 13 far 0 66 0 - 8.6-36.6 HB2 LEU 52 - HE3 LYS 39 far 0 68 0 - 8.9-15.0 HB2 LEU 51 - HE2 LYS 13 far 0 89 0 - 8.9-33.6 QB ALA 28 - HE3 LYS 39 far 0 66 0 - 9.0-10.8 QB ALA 12 - HE3 LYS 39 far 0 70 0 - 9.2-30.5 Violated in 1 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 60 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) * HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 37 42 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 35 40 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(24) HD2 LYS 39 + HE3 LYS 39 OK 34 39 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(24) HD3 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(24) HD3 LYS 32 - HE2 LYS 13 far 9 91 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 70 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 92 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 65 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 93 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 55 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 53 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 85 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 86 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 54 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 76 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 52 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 95 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 88 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 78 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 72 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 69 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 67 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 76 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 86 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 94 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 72 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 68 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 79 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 67 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 66 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 68 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 71 0 - 9.9-18.2 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 56 assignments used, quality = 1.00: HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) * HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 34 38 100 87 2.3-3.0 3.0=71, 1886/3.6=10...(23) HD2 LYS 39 + HE3 LYS 39 OK 31 35 100 87 2.3-3.0 3.0=71, 1886/3.6=10...(23) HD3 LYS 32 - HE2 LYS 13 far 9 91 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 93 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 92 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 98 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 50 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 89 0 - 6.2-20.1 HG2 ARG 26 - HE2 LYS 13 far 0 87 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 88 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 49 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 80 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 89 0 - 7.3-19.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 97 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 90 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 82 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 74 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 74 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 68 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 81 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 84 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 96 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 91 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 73 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 69 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 83 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 71 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 70 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 72 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 71 0 - 9.9-18.2 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): 5 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 4.3-4.4 2.3/4217=78, 2.3/4216=75...(22) HB2 LYS 32 + HA ILE 33 OK 91 100 100 91 4.4-5.3 ~3776=28, ~99=25...(14) HB3 LYS 32 + HA ILE 33 OK 53 100 60 89 4.6-6.1 ~3776=28, ~99=25...(12) HB2 PRO 34 + HA ILE 33 OK 29 97 30 100 4.8-5.5 3.0/4217=67, 3.0/4216=65...(19) HB2 LEU 57 - HA ILE 33 far 0 100 0 - 6.7-8.2 HB2 LEU 62 - HA ILE 33 far 0 78 0 - 8.6-10.8 HB3 ARG 17 - HA ILE 33 far 0 71 0 - 8.7-24.7 HB3 LYS 39 - HA ILE 33 far 0 93 0 - 8.9-12.6 HB2 LYS 13 - HA ILE 33 far 0 81 0 - 8.9-26.6 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 2.3-2.5 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): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 33 + HA ILE 33 OK 100 100 100 100 2.2-3.8 3.9=100 HB3 LEU 57 + HA ILE 33 OK 41 73 60 93 5.3-7.3 3.1/4606=65, ~4612=33...(8) QB ALA 30 - HA ILE 33 far 0 100 0 - 7.7-8.4 HG13 ILE 89 - HA ILE 33 far 0 100 0 - 8.4-50.8 HG2 LYS 13 - HA ILE 33 far 0 81 0 - 9.0-25.5 HG3 LYS 13 - HA ILE 33 far 0 96 0 - 9.6-26.6 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.22, 3.89, 56.86 ppm; 4.50 A): 3 out of 6 assignments used, quality = 1.00: * HG13 ILE 33 + HA ILE 33 OK 100 100 100 100 3.0-3.8 3.9=100 QG2 VAL 65 + HA ILE 33 OK 95 99 100 96 4.0-5.4 4727/3.2=75...(10) QG1 VAL 65 + HA ILE 33 OK 21 95 25 88 5.5-7.6 ~4727=46, 4729/1680=32...(9) QG2 THR 15 - HA ILE 33 far 3 63 5 - 6.0-20.6 HG13 ILE 40 - HA ILE 33 far 0 96 0 - 7.6-8.9 HG LEU 52 - HA ILE 33 far 0 73 0 - 8.7-11.6 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 1.9-2.9 1680=100, 1682/3.2=60...(26) QD2 LEU 57 + HA ILE 33 OK 98 100 100 98 2.9-4.6 4606=47, 4612/3.2=41...(20) 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 2.4-2.7 3.9=70, 573/2.1=55...(16) 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 - 6.2-7.4 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 6 assignments used, quality = 1.00: * HG12 ILE 33 + HB ILE 33 OK 100 100 100 100 2.4-3.0 3.0=100 HG13 ILE 89 - HB ILE 33 far 0 100 0 - 6.6-50.5 QB ALA 30 - HB ILE 33 far 0 100 0 - 6.7-8.5 HB3 LEU 57 - HB ILE 33 far 0 73 0 - 8.0-9.6 HG2 LYS 13 - HB ILE 33 far 0 81 0 - 9.0-25.8 HG3 LYS 13 - HB ILE 33 far 0 96 0 - 9.4-26.4 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (1.22, 1.77, 36.30 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 33 + HB ILE 33 OK 100 100 100 100 2.4-2.6 3.0=100 QG2 VAL 65 + HB ILE 33 OK 56 99 60 95 4.2-5.7 4727/2.1=71, 4725/3.2=30...(17) QG2 THR 15 - HB ILE 33 far 0 63 0 - 5.6-19.8 QG1 VAL 65 - HB ILE 33 far 0 95 0 - 5.8-8.3 HG13 ILE 40 - HB ILE 33 far 0 96 0 - 6.6-8.5 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 2.3-3.2 3.2=100 QD2 LEU 57 + HB ILE 33 OK 60 100 60 99 4.9-6.6 4612/2.1=67, 4606/3.0=53...(22) 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 3.7-3.8 4.1=100 H ASP 67 - QG2 ILE 33 far 0 71 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (3.89, 0.31, 17.04 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.3-2.5 3.2=100 HD2 PRO 36 - QG2 ILE 33 far 13 89 15 - 4.9-5.5 HA LEU 51 - QG2 ILE 33 far 0 100 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (1.77, 0.31, 17.04 ppm; 3.19 A): 3 out of 13 assignments used, quality = 1.00: * HB ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 34 + QG2 ILE 33 OK 93 98 95 99 3.0-5.0 2.3/4215=50, 2.3/4214=43...(34) HB2 PRO 34 + QG2 ILE 33 OK 71 97 75 99 4.3-5.1 3.0/4215=42, 3.0/4214=37...(32) HB3 LYS 39 - QG2 ILE 33 far 0 93 0 - 5.1-8.2 HB2 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.0-6.7 HB3 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.1-7.2 HB2 LEU 57 - QG2 ILE 33 far 0 100 0 - 6.2-7.3 HB3 ARG 17 - QG2 ILE 33 far 0 71 0 - 6.4-18.9 HB2 LEU 62 - QG2 ILE 33 far 0 78 0 - 7.5-9.1 HB2 ARG 54 - QG2 ILE 33 far 0 100 0 - 7.8-11.0 HB2 LYS 13 - QG2 ILE 33 far 0 81 0 - 8.5-21.5 HG3 ARG 26 - QG2 ILE 33 far 0 83 0 - 9.7-12.2 HG3 ARG 71 - QG2 ILE 33 far 0 89 0 - 9.8-13.0 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 8 assignments used, quality = 1.00: * HG12 ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.4-3.2 3.2=100 HB3 LEU 57 - QG2 ILE 33 poor 18 73 25 - 5.1-6.3 HG13 ILE 89 - QG2 ILE 33 far 0 100 0 - 6.9-40.3 QB ALA 30 - QG2 ILE 33 far 0 100 0 - 7.2-8.1 HB3 LEU 52 - QG2 ILE 33 far 0 60 0 - 7.5-9.7 HG2 LYS 13 - QG2 ILE 33 far 0 81 0 - 9.2-22.7 HB3 LEU 43 - QG2 ILE 33 far 0 99 0 - 9.4-10.6 HG3 LYS 13 - QG2 ILE 33 far 0 96 0 - 9.7-22.1 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (1.22, 0.31, 17.04 ppm; 3.13 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QG2 ILE 33 OK 99 100 100 99 2.2-3.2 3.2=94, 2.1/1682=63...(12) QG2 VAL 65 + QG2 ILE 33 OK 92 99 100 93 2.2-3.1 4727=64, 4725/1682=21...(16) HG13 ILE 40 + QG2 ILE 33 OK 42 96 60 73 4.1-5.3 2.1/4300=46...(11) QG1 VAL 65 + QG2 ILE 33 OK 42 95 50 88 3.3-5.4 2.1/4727=51...(15) QG2 THR 15 - QG2 ILE 33 far 0 63 0 - 6.2-16.2 HG LEU 52 - QG2 ILE 33 far 0 73 0 - 6.4-8.4 HG2 ARG 69 - QG2 ILE 33 far 0 81 0 - 8.1-10.9 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 1.9-3.2 3.2=100 QD2 LEU 57 + QG2 ILE 33 OK 98 100 100 98 2.5-4.1 4612=40, 4603/4215=31...(27) 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 3 assignments used, quality = 1.00: * H ILE 33 + HG12 ILE 33 OK 100 100 100 100 1.9-3.7 574=100, 575/1.8=77...(14) H ILE 33 - HG13 ILE 89 far 0 98 0 - 7.1-52.9 H ASP 67 - HG12 ILE 33 far 0 71 0 - 8.0-10.7 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 4 assignments used, quality = 1.00: * HA ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.2-3.8 3.9=100 HD2 PRO 36 - HG13 ILE 89 far 0 84 0 - 7.1-50.7 HD2 PRO 36 - HG12 ILE 33 far 0 89 0 - 8.3-9.7 HA ILE 33 - HG13 ILE 89 far 0 98 0 - 8.4-50.8 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 15 assignments used, quality = 1.00: * HB ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 32 - HG12 ILE 33 far 10 100 10 - 5.2-7.4 HB3 LYS 32 - HG12 ILE 33 far 0 100 0 - 5.6-8.0 HG2 PRO 34 - HG12 ILE 33 far 0 98 0 - 5.7-7.9 HB ILE 33 - HG13 ILE 89 far 0 98 0 - 6.6-50.5 HB2 LEU 57 - HG12 ILE 33 far 0 100 0 - 6.9-10.4 HB2 PRO 34 - HG12 ILE 33 far 0 97 0 - 7.1-8.4 HB2 LYS 13 - HG12 ILE 33 far 0 81 0 - 8.0-25.0 HB3 ARG 17 - HG12 ILE 33 far 0 71 0 - 8.1-22.5 HB3 LYS 32 - HG13 ILE 89 far 0 97 0 - 8.2-55.8 HB3 LYS 39 - HG12 ILE 33 far 0 93 0 - 8.3-12.8 HB2 LEU 62 - HG12 ILE 33 far 0 78 0 - 8.6-11.7 HB2 LYS 32 - HG13 ILE 89 far 0 97 0 - 9.2-55.2 HB2 PRO 34 - HG13 ILE 89 far 0 93 0 - 9.2-51.0 HG3 ARG 26 - HG12 ILE 33 far 0 83 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 1668 from cnoeabs.peaks (0.31, 1.44, 27.27 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.4-3.2 3.2=100 QG2 ILE 33 - HG13 ILE 89 far 0 98 0 - 6.9-40.3 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): 2 out of 7 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 OK 46 99 60 77 2.5-5.8 4727/3.2=38, 1684/2.1=27...(11) QG1 VAL 65 - HG12 ILE 33 far 5 95 5 - 4.6-8.1 HG13 ILE 40 - HG12 ILE 33 far 0 96 0 - 6.5-9.4 QG2 THR 15 - HG12 ILE 33 far 0 63 0 - 6.5-18.7 HG13 ILE 33 - HG13 ILE 89 far 0 98 0 - 8.8-50.3 HG LEU 52 - HG12 ILE 33 far 0 73 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (0.71, 1.44, 27.27 ppm; 3.73 A): 2 out of 3 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 OK 24 100 25 95 3.4-6.9 4612/3.2=44, 4606/3.9=35...(16) QD1 ILE 33 - HG13 ILE 89 far 0 98 0 - 8.5-42.0 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 1.9-3.9 575=100, 574/1.8=85...(12) H ASP 67 - HG2 ARG 69 far 0 37 0 - 6.5-8.7 H ASP 67 - HG13 ILE 33 far 0 71 0 - 7.8-10.8 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 3.0-3.8 3.9=100 HD2 PRO 36 - HG13 ILE 33 far 0 89 0 - 8.2-9.4 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 18 assignments used, quality = 1.00: * HB ILE 33 + HG13 ILE 33 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 73 - HG2 ARG 69 poor 13 59 55 40 3.6-7.8 ~2818=8, 4818/3.9=6...(13) HB2 LYS 32 - HG13 ILE 33 far 5 100 5 - 5.0-7.8 HB3 LYS 32 - HG13 ILE 33 far 0 100 0 - 5.7-8.2 HB3 LYS 75 - HG2 ARG 69 far 0 47 0 - 6.7-14.5 HG2 PRO 34 - HG13 ILE 33 far 0 98 0 - 6.8-8.0 HB3 ARG 82 - HG2 ARG 69 far 0 63 0 - 7.0-27.8 HG3 ARG 71 - HG2 ARG 69 far 0 50 0 - 7.3-10.7 HB2 PRO 34 - HG13 ILE 33 far 0 97 0 - 7.7-8.7 HB2 LYS 13 - HG13 ILE 33 far 0 81 0 - 7.9-25.0 HB2 LEU 57 - HG13 ILE 33 far 0 100 0 - 8.0-10.2 HB3 ARG 17 - HG13 ILE 33 far 0 71 0 - 8.3-21.2 HB3 LYS 39 - HG13 ILE 33 far 0 93 0 - 8.3-13.2 HB3 LYS 39 - HG2 ARG 69 far 0 54 0 - 8.6-12.2 HB2 LEU 62 - HG13 ILE 33 far 0 78 0 - 9.2-11.3 HG3 ARG 26 - HG13 ILE 33 far 0 83 0 - 9.5-12.7 HB2 LYS 83 - HG2 ARG 69 far 0 55 0 - 9.6-28.4 HG3 ARG 71 - HG13 ILE 33 far 0 89 0 - 9.8-15.1 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 2.2-3.2 3.2=100 QG2 ILE 33 - HG2 ARG 69 far 0 63 0 - 8.1-10.9 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 9 assignments used, quality = 1.00: * HG12 ILE 33 + HG13 ILE 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 43 - HG2 ARG 69 far 0 61 0 - 5.6-10.4 QB ALA 30 - HG13 ILE 33 far 0 100 0 - 5.7-8.0 HB3 LEU 57 - HG13 ILE 33 far 0 73 0 - 6.5-9.2 HG2 LYS 13 - HG13 ILE 33 far 0 81 0 - 8.4-27.8 HG3 LYS 13 - HG13 ILE 33 far 0 96 0 - 8.6-26.9 HG13 ILE 89 - HG13 ILE 33 far 0 100 0 - 8.8-50.3 HB3 LEU 52 - HG2 ARG 69 far 0 31 0 - 8.8-12.7 HB3 LEU 52 - HG13 ILE 33 far 0 60 0 - 9.7-14.3 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 15 100 15 - 4.4-6.8 QD1 ILE 33 - HG2 ARG 69 far 0 63 0 - 8.6-11.8 QD2 LEU 57 - HG2 ARG 69 far 0 62 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (7.91, 0.71, 10.77 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 33 + QD1 ILE 33 OK 100 100 100 100 1.8-3.5 574/2.1=83, 575/2.1=78...(14) H ASP 67 - QD1 ILE 33 far 0 71 0 - 6.2-7.6 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 1.9-2.9 4.1=59, 3.2/1682=55...(26) HD2 PRO 36 - QD1 ILE 33 far 0 89 0 - 7.8-8.2 HA LEU 51 - QD1 ILE 33 far 0 100 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (1.77, 0.71, 10.77 ppm; 3.51 A): 3 out of 13 assignments used, quality = 1.00: * HB ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.3-3.2 3.2=100 HG2 PRO 34 + QD1 ILE 33 OK 72 98 75 98 4.6-6.5 2.3/4851=47, 2.3/4226=39...(22) HB2 LYS 32 + QD1 ILE 33 OK 22 100 35 63 4.2-6.1 4.3/1679=33, ~5543=10...(10) HB3 LYS 32 - QD1 ILE 33 far 0 100 0 - 5.2-6.4 HB2 LEU 57 - QD1 ILE 33 far 0 100 0 - 5.5-7.5 HB2 PRO 34 - QD1 ILE 33 far 0 97 0 - 5.8-7.4 HB2 LEU 62 - QD1 ILE 33 far 0 78 0 - 5.9-8.2 HB2 LYS 13 - QD1 ILE 33 far 0 81 0 - 7.4-20.9 HB3 LYS 39 - QD1 ILE 33 far 0 93 0 - 7.5-10.7 HB3 ARG 17 - QD1 ILE 33 far 0 71 0 - 8.4-18.5 HG3 ARG 26 - QD1 ILE 33 far 0 83 0 - 8.9-11.3 HG3 ARG 71 - QD1 ILE 33 far 0 89 0 - 9.0-12.0 HB2 ARG 54 - QD1 ILE 33 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (0.31, 0.71, 10.77 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + QD1 ILE 33 OK 100 100 100 100 1.9-3.2 3.2=98, 3.2/1680=41...(21) Violated in 1 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (1.44, 0.71, 10.77 ppm; 3.26 A): 1 out of 7 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 poor 18 73 25 - 4.3-6.1 QB ALA 30 - QD1 ILE 33 far 0 100 0 - 5.0-6.5 HG2 LYS 13 - QD1 ILE 33 far 0 81 0 - 7.6-23.2 HB3 LEU 52 - QD1 ILE 33 far 0 60 0 - 8.3-10.0 HG13 ILE 89 - QD1 ILE 33 far 0 100 0 - 8.5-42.0 HG3 LYS 13 - QD1 ILE 33 far 0 96 0 - 8.7-22.4 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (1.22, 0.71, 10.77 ppm; 2.83 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 65 + QD1 ILE 33 OK 89 99 100 90 1.8-3.4 4727/1682=31, 4725=29...(25) QG1 VAL 65 + QD1 ILE 33 OK 34 95 45 80 3.5-5.1 2.1/4725=23, 4729=19...(23) HG13 ILE 40 - QD1 ILE 33 far 0 96 0 - 5.3-6.6 QG2 THR 15 - QD1 ILE 33 far 0 63 0 - 5.8-15.9 HG LEU 52 - QD1 ILE 33 far 0 73 0 - 6.9-9.2 HG2 ARG 69 - QD1 ILE 33 far 0 81 0 - 8.6-11.8 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 8 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 3.9-5.1 2.1/4215=84, 3.0/4216=72...(29) HG2 PRO 34 + HD2 PRO 34 OK 83 83 100 100 2.3-2.7 2.3=100 HB2 LYS 32 - HD2 PRO 34 far 10 99 10 - 4.5-7.2 HB3 LYS 32 - HD2 PRO 34 far 5 99 5 - 5.3-8.1 HB2 LEU 57 - HD2 PRO 34 far 0 95 0 - 5.9-7.1 HB3 LYS 39 - HD2 PRO 34 far 0 100 0 - 7.7-11.4 HB2 ARG 54 - HD2 PRO 34 far 0 93 0 - 8.3-13.0 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 3.0-4.0 3.0=100 HB2 LYS 39 - HD2 PRO 34 far 0 85 0 - 7.7-11.4 HB3 PRO 14 - HD2 PRO 34 far 0 95 0 - 8.0-21.8 HB ILE 68 - HD2 PRO 34 far 0 76 0 - 8.2-11.9 HB3 ARG 27 - HD2 PRO 34 far 0 83 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (1.76, 2.72, 50.48 ppm; 3.96 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 34 + HD2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB ILE 33 + HD2 PRO 34 OK 98 98 100 100 3.9-5.1 2.1/4215=77, 3.0/4216=65...(27) 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 9 93 10 - 4.5-7.2 HB3 LYS 32 - HD2 PRO 34 far 5 93 5 - 5.3-8.1 HB2 LEU 57 - HD2 PRO 34 far 0 99 0 - 5.9-7.1 HB3 LYS 39 - HD2 PRO 34 far 0 76 0 - 7.7-11.4 HB2 ARG 54 - HD2 PRO 34 far 0 99 0 - 8.3-13.0 HB2 LEU 62 - HD2 PRO 34 far 0 95 0 - 8.3-10.1 HB3 ARG 17 - HD2 PRO 34 far 0 90 0 - 9.1-24.6 Violated in 0 structures by 0.00 A. Peak 1690 from cnoeabs.peaks (1.04, 2.72, 50.48 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 QD1 ILE 40 + HD2 PRO 34 OK 66 95 80 87 4.6-7.2 4300/4215=58...(7) Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (2.72, 2.72, 50.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + HD2 PRO 34 OK 100 100 - 100 Peak 1692 from cnoeabs.peaks (3.54, 2.72, 50.48 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 PRO 36 - HD2 PRO 34 far 0 68 0 - 7.4-9.0 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 5 assignments used, quality = 1.00: * HA PRO 34 + HD3 PRO 34 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 34 - HD3 PRO 36 poor 12 45 60 45 6.4-7.1 3.6/111=31, 5557/4234=13 HA ALA 16 - HD3 PRO 36 far 7 44 15 - 5.8-23.0 HA ALA 16 - HD3 PRO 34 far 0 99 0 - 8.5-23.5 HA GLU 87 - HD3 PRO 36 far 0 45 0 - 9.6-47.1 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (1.78, 3.54, 50.48 ppm; 4.02 A): 5 out of 16 assignments used, quality = 1.00: * HB2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 3.0-4.0 3.0=100 HB ILE 33 + HD3 PRO 34 OK 97 97 100 100 4.3-5.1 2.1/4214=71, 3.0/4217=70...(27) HG2 PRO 34 + HD3 PRO 34 OK 83 83 100 100 2.3-3.0 2.3=100 HB2 LYS 32 + HD3 PRO 34 OK 45 99 75 61 4.0-6.2 98/4.8=14, 1713=14...(8) HB3 LYS 39 + HD3 PRO 36 OK 42 45 95 99 2.5-6.2 4877/3.0=42, ~5104=35...(23) HB3 LYS 32 - HD3 PRO 34 poor 20 99 20 - 4.4-7.1 HB2 LEU 57 - HD3 PRO 34 far 0 95 0 - 5.9-6.7 HG2 PRO 34 - HD3 PRO 36 far 0 32 0 - 6.4-9.2 HB2 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.4-8.2 HB ILE 33 - HD3 PRO 36 far 0 41 0 - 6.5-7.3 HB2 LYS 13 - HD3 PRO 36 far 0 42 0 - 6.8-30.0 HB3 LYS 39 - HD3 PRO 34 far 0 100 0 - 8.2-12.8 HB2 ARG 54 - HD3 PRO 34 far 0 93 0 - 8.4-12.1 HB2 ARG 54 - HD3 PRO 36 far 0 38 0 - 9.1-14.7 HB2 LYS 13 - HD3 PRO 34 far 0 97 0 - 9.3-27.6 HB2 LYS 85 - HD3 PRO 36 far 0 28 0 - 9.4-42.4 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 8 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 28 33 85 100 2.4-6.5 5104/1.8=53, ~4877=46...(25) HB3 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.4-8.3 HB3 PRO 14 - HD3 PRO 36 far 0 39 0 - 6.9-25.5 HB3 PRO 14 - HD3 PRO 34 far 0 95 0 - 7.7-22.1 HB2 LYS 39 - HD3 PRO 34 far 0 85 0 - 8.4-12.8 HB ILE 68 - HD3 PRO 36 far 0 28 0 - 9.6-11.5 HB ILE 68 - HD3 PRO 34 far 0 76 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (1.76, 3.54, 50.48 ppm; 3.83 A): 5 out of 16 assignments used, quality = 1.00: * HG2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB ILE 33 + HD3 PRO 34 OK 98 98 100 100 4.3-5.1 2.1/4214=65, 3.0/4217=64...(27) HB2 PRO 34 + HD3 PRO 34 OK 83 83 100 100 3.0-4.0 3.0=100 HB2 LYS 32 + HD3 PRO 34 OK 34 93 65 55 4.0-6.2 572/4.8=13, 1646/4217=12...(8) HB3 LYS 39 + HD3 PRO 36 OK 26 28 95 96 2.5-6.2 ~5104=31, 2.9/5208=20...(23) HB3 LYS 32 - HD3 PRO 34 poor 19 93 20 - 4.4-7.1 HB3 ARG 17 - HD3 PRO 36 far 2 36 5 - 5.2-24.6 HB2 LEU 57 - HD3 PRO 34 far 0 99 0 - 5.9-6.7 HG2 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.4-9.2 HB2 PRO 34 - HD3 PRO 36 far 0 32 0 - 6.4-8.2 HB ILE 33 - HD3 PRO 36 far 0 42 0 - 6.5-7.3 HB3 LYS 39 - HD3 PRO 34 far 0 76 0 - 8.2-12.8 HB2 ARG 54 - HD3 PRO 34 far 0 99 0 - 8.4-12.1 HB2 LEU 62 - HD3 PRO 34 far 0 95 0 - 8.5-10.3 HB2 ARG 54 - HD3 PRO 36 far 0 44 0 - 9.1-14.7 HB3 ARG 17 - HD3 PRO 34 far 0 90 0 - 9.8-26.2 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (1.04, 3.54, 50.48 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 PRO 34 + HD3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 QD1 ILE 40 - HD3 PRO 36 poor 13 39 55 62 4.9-7.2 4318/4598=23, 109/4.8=19...(8) QD1 ILE 40 - HD3 PRO 34 far 5 95 5 - 5.8-7.8 HG3 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (2.72, 3.54, 50.48 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 34 - HD3 PRO 36 far 0 45 0 - 7.4-9.0 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 62 83 100 74 3.9-4.0 3.8=58, 4862/4.8=15...(7) HB ILE 33 - HA PRO 34 far 0 97 0 - 5.2-5.5 HB2 LYS 32 - HA PRO 34 far 0 99 0 - 5.6-7.5 HB3 LYS 32 - HA PRO 34 far 0 99 0 - 5.8-7.4 HB3 LYS 39 - HA PRO 34 far 0 100 0 - 8.4-11.6 HB2 ARG 54 - HA PRO 34 far 0 93 0 - 8.4-13.6 HB2 LYS 13 - HA PRO 34 far 0 97 0 - 8.5-30.7 HB2 LEU 57 - HA PRO 34 far 0 95 0 - 8.9-9.9 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 4 assignments used, quality = 1.00: * HB3 PRO 34 + HA PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 14 - HA PRO 34 far 0 95 0 - 5.2-24.1 HB2 LYS 39 - HA PRO 34 far 0 85 0 - 8.7-11.7 HB2 GLN 91 - HA PRO 34 far 0 76 0 - 9.5-60.1 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 76 100 100 76 3.9-4.0 3.8=58, 4862/4.8=18...(7) HB ILE 33 - HA PRO 34 far 0 98 0 - 5.2-5.5 HB2 LYS 32 - HA PRO 34 far 0 93 0 - 5.6-7.5 HB3 LYS 32 - HA PRO 34 far 0 93 0 - 5.8-7.4 HB3 ARG 17 - HA PRO 34 far 0 90 0 - 7.1-27.9 HB3 LYS 39 - HA PRO 34 far 0 76 0 - 8.4-11.6 HB2 ARG 54 - HA PRO 34 far 0 99 0 - 8.4-13.6 HB2 LEU 57 - HA PRO 34 far 0 99 0 - 8.9-9.9 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 3.9-4.0 3.8=100 QD1 ILE 40 - HA PRO 34 far 0 95 0 - 7.1-8.7 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 3.6-4.1 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 3.6-4.1 3.6=100 HD3 PRO 36 - HA PRO 34 far 0 68 0 - 6.4-7.1 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 10 assignments used, quality = 1.00: * HA PRO 34 + HB2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA LEU 86 - HB3 ARG 84 far 3 60 5 - 3.9-8.7 HA PRO 34 - HB2 LYS 32 far 0 65 0 - 5.6-7.5 HA PRO 34 - HB3 LYS 32 far 0 65 0 - 5.8-7.4 HA GLU 87 - HB3 ARG 84 far 0 70 0 - 6.3-12.2 HA ALA 16 - HB2 PRO 34 far 0 99 0 - 7.4-25.2 HA ALA 16 - HB3 LYS 32 far 0 63 0 - 7.5-26.8 HA ALA 16 - HB2 LYS 32 far 0 63 0 - 8.1-25.4 HA PRO 34 - HB2 ARG 54 far 0 51 0 - 8.4-13.6 HA LEU 86 - HB3 ARG 82 far 0 81 0 - 8.4-15.5 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 21 assignments used, quality = 1.00: * HB3 PRO 34 + HB2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 14 - HB3 LYS 32 far 3 57 5 - 4.3-23.7 HB3 PRO 14 - HB2 LYS 32 far 0 57 0 - 4.9-22.1 HB3 PRO 34 - HB3 LYS 32 far 0 65 0 - 5.7-9.7 HB3 PRO 34 - HB2 ARG 54 far 0 51 0 - 5.9-12.2 HB2 ARG 66 - HB3 ARG 82 far 0 91 0 - 6.1-31.5 HB3 PRO 34 - HB2 LYS 32 far 0 65 0 - 6.1-9.4 HB2 GLN 91 - HB3 LYS 32 far 0 42 0 - 6.9-62.9 HB2 ARG 26 - HB3 ARG 84 far 0 68 0 - 7.0-45.2 HB2 LYS 39 - HB2 PRO 34 far 0 85 0 - 7.3-12.5 HB3 PRO 14 - HB2 PRO 34 far 0 95 0 - 7.8-24.3 HB3 ARG 26 - HB3 ARG 84 far 0 67 0 - 7.8-44.1 HB2 LYS 39 - HB2 ARG 54 far 0 38 0 - 8.1-12.3 HB2 MET 11 - HB2 LYS 32 far 0 59 0 - 8.4-30.2 HB2 MET 11 - HB3 LYS 32 far 0 59 0 - 8.6-28.7 HB2 GLN 91 - HB2 LYS 32 far 0 42 0 - 8.7-61.6 HB2 ARG 23 - HB3 ARG 82 far 0 54 0 - 8.8-35.1 HB2 ARG 23 - HB3 ARG 84 far 0 38 0 - 9.1-40.4 HB3 ARG 27 - HB2 LYS 32 far 0 47 0 - 9.6-12.2 HB3 ARG 23 - HB3 ARG 82 far 0 56 0 - 9.6-36.0 HB3 ARG 23 - HB3 ARG 84 far 0 40 0 - 9.7-41.5 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 - 6.1-10.3 QD1 ILE 40 - HB2 PRO 34 far 0 95 0 - 6.6-8.7 HG3 PRO 34 - HB2 LYS 32 far 0 65 0 - 6.9-9.1 HG3 PRO 34 - HB3 LYS 32 far 0 65 0 - 7.3-9.7 QD1 ILE 40 - HB2 ARG 54 far 0 44 0 - 8.9-11.9 QD1 ILE 40 - HB2 LYS 32 far 0 57 0 - 9.0-10.5 QD1 ILE 40 - HB3 LYS 32 far 0 57 0 - 9.1-11.2 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 3.0-4.0 3.0=100 HD3 PRO 34 + HB2 LYS 32 OK 42 65 100 65 4.0-6.2 4.8/98=21, 4217/1646=18...(7) HD3 PRO 34 + HB3 LYS 32 OK 30 65 85 54 4.4-7.1 4.8/97=20, ~5568=14...(6) HD3 PRO 36 - HB2 PRO 34 far 0 68 0 - 6.4-8.2 HD3 PRO 34 - HB2 ARG 54 far 0 51 0 - 8.4-12.1 HD3 PRO 36 - HB2 ARG 54 far 0 28 0 - 9.1-14.7 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 5 assignments used, quality = 1.00: * HA PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA ALA 16 - HB3 PRO 34 far 0 99 0 - 7.4-25.7 HA ALA 16 - HB3 ARG 71 far 0 51 0 - 7.6-29.4 HA ALA 16 - HB2 ARG 71 far 0 49 0 - 8.4-28.9 HA PRO 34 - HB2 GLN 91 far 0 71 0 - 9.5-60.1 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 26 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 2.3-3.0 2.3=100 HG3 ARG 71 + HB3 ARG 71 OK 23 26 100 87 2.3-3.0 2.8=64, 779/4.0=11...(22) HG3 ARG 71 + HB2 ARG 71 OK 22 25 100 87 2.2-2.8 2.8=64, 779/4.0=11...(22) HB3 LYS 75 - HB3 ARG 71 far 2 50 5 - 3.4-13.9 HB3 LYS 75 - HB2 ARG 71 far 0 48 0 - 4.3-14.1 HB3 LYS 32 - HB3 PRO 34 far 0 99 0 - 5.7-9.7 HB2 ARG 54 - HB3 PRO 34 far 0 93 0 - 5.9-12.2 HB3 LYS 73 - HB2 ARG 71 far 0 50 0 - 6.0-8.7 HB2 LYS 32 - HB3 PRO 34 far 0 99 0 - 6.1-9.4 HB2 ARG 69 - HB2 ARG 71 far 0 32 0 - 6.2-8.9 HB3 LYS 73 - HB3 ARG 71 far 0 52 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 23 0 - 6.4-11.8 HB ILE 33 - HB3 PRO 34 far 0 97 0 - 6.6-6.8 HG3 ARG 71 - HB3 ARG 27 far 0 24 0 - 6.7-11.3 HB3 LYS 32 - HB2 GLN 91 far 0 69 0 - 6.9-62.9 HB2 LEU 57 - HB3 PRO 34 far 0 95 0 - 7.1-8.8 HB2 ARG 69 - HB3 ARG 71 far 0 33 0 - 7.2-9.9 HB ILE 33 - HB3 ARG 27 far 0 43 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 42 0 - 7.7-9.6 HB3 LYS 39 - HB3 PRO 34 far 0 100 0 - 7.8-12.4 HB3 LYS 75 - HB2 ARG 27 far 0 44 0 - 8.2-23.1 HB2 LYS 32 - HB2 GLN 91 far 0 69 0 - 8.7-61.6 HB3 LYS 75 - HB3 ARG 27 far 0 46 0 - 8.8-22.5 HB2 LYS 83 - HB3 ARG 71 far 0 52 0 - 9.3-28.4 HB2 LYS 32 - HB3 ARG 27 far 0 47 0 - 9.6-12.2 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 29 assignments used, quality = 1.00: * HG2 PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 2.8=82, 779/4.0=20...(26) HG3 ARG 71 + HB2 ARG 71 OK 46 48 100 96 2.2-2.8 2.8=82, 779/4.0=20...(27) HB3 LYS 75 - HB3 ARG 71 far 1 26 5 - 3.4-13.9 HB3 LYS 75 - HB2 ARG 71 far 0 25 0 - 4.3-14.1 HG3 ARG 26 - HB3 ARG 27 far 0 43 0 - 4.4-8.2 HG3 ARG 26 - HB2 ARG 27 far 0 42 0 - 4.4-8.2 HB3 LYS 32 - HB3 PRO 34 far 0 93 0 - 5.7-9.7 HB2 ARG 54 - HB3 PRO 34 far 0 99 0 - 5.9-12.2 HB3 LYS 73 - HB2 ARG 71 far 0 38 0 - 6.0-8.7 HB2 LYS 32 - HB3 PRO 34 far 0 93 0 - 6.1-9.4 HB3 LYS 73 - HB3 ARG 71 far 0 40 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 44 0 - 6.4-11.8 HB ILE 33 - HB3 PRO 34 far 0 98 0 - 6.6-6.8 HG3 ARG 71 - HB3 ARG 27 far 0 46 0 - 6.7-11.3 HB3 LYS 32 - HB2 GLN 91 far 0 61 0 - 6.9-62.9 HB2 LEU 57 - HB3 PRO 34 far 0 99 0 - 7.1-8.8 HB ILE 33 - HB3 ARG 27 far 0 45 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 43 0 - 7.7-9.6 HB3 LYS 39 - HB3 PRO 34 far 0 76 0 - 7.8-12.4 HB3 LYS 75 - HB2 ARG 27 far 0 23 0 - 8.2-23.1 HB3 ARG 17 - HB3 ARG 71 far 0 42 0 - 8.6-25.7 HB2 LYS 32 - HB2 GLN 91 far 0 61 0 - 8.7-61.6 HB3 LYS 75 - HB3 ARG 27 far 0 24 0 - 8.8-22.5 HB3 ARG 17 - HB3 PRO 34 far 0 90 0 - 9.3-28.4 HB2 LYS 83 - HB3 ARG 71 far 0 35 0 - 9.3-28.4 HB2 LYS 32 - HB3 ARG 27 far 0 41 0 - 9.6-12.2 HG3 ARG 26 - HB3 ARG 71 far 0 47 0 - 9.8-16.8 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 - 5.9-9.1 QD1 ILE 40 - HB3 ARG 27 far 0 42 0 - 6.2-8.7 QD1 ILE 40 - HB3 ARG 71 far 0 45 0 - 6.5-10.4 QD1 ILE 40 - HB3 PRO 34 far 0 95 0 - 6.7-9.2 QD1 ILE 40 - HB2 ARG 27 far 0 40 0 - 6.9-9.2 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 4 assignments used, quality = 1.00: * HD2 PRO 34 + HB3 PRO 34 OK 100 100 100 100 3.0-4.0 3.0=100 HB2 ASN 80 - HB2 ARG 71 far 0 36 0 - 7.9-23.6 HB2 ASN 80 - HB3 ARG 71 far 0 37 0 - 8.2-23.9 HD2 PRO 34 - HB3 ARG 27 far 0 48 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (3.54, 1.87, 30.55 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HB3 PRO 34 OK 100 100 100 100 3.0-3.9 3.0=100 HD3 PRO 36 - HB3 PRO 34 far 0 68 0 - 6.4-8.3 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (4.32, 1.76, 26.58 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + HG2 PRO 34 OK 100 100 100 100 3.9-4.0 3.8=100 HA ALA 16 - HG2 PRO 34 far 0 99 0 - 9.2-23.8 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 4 assignments used, quality = 1.00: * HB3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 LYS 39 - HG2 PRO 34 far 0 85 0 - 6.4-12.4 HB3 PRO 14 - HG2 PRO 34 far 0 95 0 - 9.0-23.3 HB ILE 68 - HG2 PRO 34 far 0 76 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (1.76, 1.76, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 34 + HG2 PRO 34 OK 100 100 - 100 Peak 1725 from cnoeabs.peaks (1.04, 1.76, 26.58 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 40 - HG2 PRO 34 far 0 95 0 - 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (2.72, 1.76, 26.58 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (3.54, 1.76, 26.58 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 36 - HG2 PRO 34 far 0 68 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (4.32, 1.04, 26.58 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + HG3 PRO 34 OK 100 100 100 100 3.9-4.0 3.8=100 HA ALA 16 - HG3 PRO 34 far 0 99 0 - 8.7-22.9 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 - 5.5-6.5 HB2 LEU 57 - HG3 PRO 34 far 0 95 0 - 5.7-7.4 HB2 ARG 54 - HG3 PRO 34 far 0 93 0 - 6.1-10.3 HB3 LYS 39 - HG3 PRO 34 far 0 100 0 - 6.5-10.6 HB2 LYS 32 - HG3 PRO 34 far 0 99 0 - 6.9-9.1 HB3 LYS 32 - HG3 PRO 34 far 0 99 0 - 7.3-9.7 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 4 assignments used, quality = 1.00: * HB3 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 LYS 39 - HG3 PRO 34 far 0 85 0 - 6.6-10.7 HB3 PRO 14 - HG3 PRO 34 far 0 95 0 - 8.8-23.5 HB ILE 68 - HG3 PRO 34 far 0 76 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 1731 from cnoeabs.peaks (1.76, 1.04, 26.58 ppm; 3.05 A): 2 out of 10 assignments used, quality = 1.00: * HG2 PRO 34 + HG3 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 34 + HG3 PRO 34 OK 83 83 100 100 2.3-3.0 2.3=100 HB ILE 33 - HG3 PRO 34 far 0 98 0 - 5.5-6.5 HB2 LEU 57 - HG3 PRO 34 far 0 99 0 - 5.7-7.4 HB2 ARG 54 - HG3 PRO 34 far 0 99 0 - 6.1-10.3 HB3 LYS 39 - HG3 PRO 34 far 0 76 0 - 6.5-10.6 HB2 LYS 32 - HG3 PRO 34 far 0 93 0 - 6.9-9.1 HB3 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.3-9.7 HB2 LEU 62 - HG3 PRO 34 far 0 95 0 - 9.0-11.1 HB3 ARG 17 - HG3 PRO 34 far 0 90 0 - 9.5-25.8 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 2.3-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1734 from cnoeabs.peaks (3.54, 1.04, 26.58 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 36 - HG3 PRO 34 far 0 68 0 - 6.3-8.1 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 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1736 from cnoeabs.peaks (4.99, 4.99, 52.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + HA PHE 35 OK 100 100 - 100 Peak 1737 from cnoeabs.peaks (2.85, 4.99, 52.48 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 35 + HA PHE 35 OK 100 100 100 100 2.5-2.7 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 2.3-2.4 3.0=100 HB3 TYR 55 - HA PHE 35 far 0 63 0 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (6.31, 2.85, 38.77 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HB2 PHE 35 OK 100 100 100 100 3.6-4.1 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 2.5-2.7 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 5 52 10 - 4.0-6.4 HB3 TYR 55 - HB2 PHE 35 far 0 63 0 - 7.1-8.5 HB3 PHE 35 - HB3 PHE 48 far 0 61 0 - 8.9-11.7 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 2.4-2.6 2.6=100 QD PHE 35 - HB3 PHE 48 far 0 61 0 - 6.9-9.2 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 3.1-3.7 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 2.3-2.4 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 - 8.9-11.7 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 2.3-2.4 2.6=100 Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (2.85, 6.65, 132.92 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.99: * HB2 PHE 35 + QD PHE 35 OK 99 99 100 100 2.4-2.6 2.6=100 HB3 PHE 48 - QD PHE 35 far 0 60 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 1756 from cnoeabs.peaks (2.91, 6.65, 132.92 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 35 + QD PHE 35 OK 99 99 100 100 2.3-2.4 2.6=100 HB3 TYR 55 + QD PHE 35 OK 60 60 100 100 3.5-5.1 2.5/4629=86, 5716=63...(19) 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 - 6.5-8.5 HD22 ASN 42 - QD PHE 35 far 0 97 0 - 9.2-10.9 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 3.6-4.1 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 3.9-4.0 3.0=100 HG3 PRO 36 + HD2 PRO 36 OK 60 60 100 100 2.3-3.0 2.3=100 HB ILE 40 - HD2 PRO 36 far 0 100 0 - 6.8-9.6 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 3.0-3.9 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 2.3-3.0 2.3=100 HG3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 2.3=100 HG2 PRO 36 + HD2 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 36 + HD2 PRO 36 OK 60 60 100 100 3.9-4.0 3.0=100 HB ILE 40 - HD2 PRO 36 far 0 63 0 - 6.8-9.6 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 - 7.8-9.1 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 4 assignments used, quality = 1.00: * HB2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 3.9-4.0 3.0=100 HG3 PRO 36 + HD3 PRO 36 OK 60 60 100 100 2.3-2.7 2.3=100 HB ILE 40 - HD3 PRO 36 far 0 100 0 - 6.8-9.5 HB ILE 40 - HD3 PRO 34 far 0 45 0 - 9.7-12.0 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 2 assignments used, quality = 1.00: * HB3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 3.0-3.9 3.0=100 HB3 PRO 36 - HD3 PRO 34 far 0 45 0 - 9.8-10.8 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 6 assignments used, quality = 1.00: * HG2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 56 - HD3 PRO 34 far 0 45 0 - 5.1-8.2 HB3 MET 31 - HD3 PRO 34 far 0 28 0 - 5.8-7.1 HB2 PRO 56 - HD3 PRO 34 far 0 44 0 - 5.8-9.4 HG2 PRO 36 - HD3 PRO 34 far 0 45 0 - 9.5-10.8 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 9 assignments used, quality = 1.00: * HG3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 36 + HD3 PRO 36 OK 60 60 100 100 3.9-4.0 3.0=100 HG3 PRO 56 - HD3 PRO 34 far 0 44 0 - 5.1-8.2 HB3 MET 31 - HD3 PRO 34 far 0 26 0 - 5.8-7.1 HB2 PRO 56 - HD3 PRO 34 far 0 43 0 - 5.8-9.4 HB ILE 40 - HD3 PRO 36 far 0 63 0 - 6.8-9.5 HG2 PRO 36 - HD3 PRO 34 far 0 45 0 - 9.5-10.8 HB ILE 40 - HD3 PRO 34 far 0 22 0 - 9.7-12.0 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 2.0-2.5 3.8=43, 4216/1.8=40...(18) HD2 PRO 36 - HD3 PRO 34 far 0 45 0 - 7.8-9.1 HA ILE 33 - HD3 PRO 36 far 0 89 0 - 8.2-8.7 HB2 SER 60 - HD3 PRO 34 far 0 20 0 - 8.5-10.3 HA LEU 51 - HD3 PRO 36 far 0 81 0 - 8.6-11.3 HA LEU 51 - HD3 PRO 34 far 0 31 0 - 9.5-11.3 HB3 SER 60 - HD3 PRO 34 far 0 20 0 - 9.9-11.9 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 74 3.9-4.0 3.8=66, 113/112=11...(4) HB ILE 40 - HA PRO 36 far 0 100 0 - 6.3-7.8 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 85 100 100 85 3.9-4.0 3.8=73, 115/112=21...(5) HG3 PRO 36 + HA PRO 36 OK 85 100 100 85 3.9-4.0 3.8=73, 115/112=21...(5) HB3 MET 31 - HA PRO 36 far 0 76 0 - 9.3-11.5 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: * HG3 PRO 36 + HA PRO 36 OK 85 100 100 85 3.9-4.0 3.8=73, 115/112=21...(5) HG2 PRO 36 + HA PRO 36 OK 85 100 100 85 3.9-4.0 3.8=73, 115/112=21...(5) 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 - 6.3-7.8 HB3 MET 31 - HA PRO 36 far 0 71 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (4.61, 2.12, 32.41 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1781 from cnoeabs.peaks (2.12, 2.12, 32.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 36 + HB2 PRO 36 OK 100 100 - 100 Peak 1782 from cnoeabs.peaks (2.45, 2.12, 32.41 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 36 + HB2 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (2.09, 2.12, 32.41 ppm; 2.68 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.3-2.7 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 3.9-4.0 3.0=100 HB3 SER 22 - HB2 PRO 36 far 0 78 0 - 8.8-15.1 HA ILE 33 - HB2 PRO 36 far 0 89 0 - 9.9-10.1 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 3.9-4.0 3.0=100 HA VAL 41 - HB2 PRO 36 far 0 96 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 1787 from cnoeabs.peaks (4.61, 2.45, 32.41 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (2.12, 2.45, 32.41 ppm; 2.66 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 36 + HB3 PRO 36 OK 60 60 100 100 2.3-3.0 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 - 7.4-8.9 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 2.3-3.0 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 2.3=100 HG2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-3.0 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 - 7.4-8.9 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 3.0-3.9 3.0=100 HB3 SER 22 - HB3 PRO 36 far 0 78 0 - 8.8-15.7 HA ILE 33 - HB3 PRO 36 far 0 89 0 - 9.2-9.7 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 3 assignments used, quality = 1.00: * HD3 PRO 36 + HB3 PRO 36 OK 100 100 100 100 3.0-3.9 3.0=100 HA VAL 41 - HB2 PRO 44 far 0 50 0 - 7.9-9.2 HD3 PRO 34 - HB3 PRO 36 far 0 68 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (4.61, 2.09, 27.61 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 36 + HG3 PRO 36 OK 100 100 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (2.12, 2.09, 27.61 ppm; 2.40 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.7 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 - 6.0-9.0 HB ILE 40 - HG3 PRO 36 far 0 100 0 - 7.3-9.1 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 2.3-3.0 2.3=100 HB3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-3.0 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 5 assignments used, quality = 1.00: * HD2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 7.0-10.4 HA ILE 33 - HG2 PRO 36 far 0 89 0 - 9.6-10.4 HA LEU 51 - HG2 PRO 36 far 0 81 0 - 9.8-11.7 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 6 assignments used, quality = 1.00: * HD3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 34 - HG3 PRO 56 far 0 44 0 - 5.1-8.2 HA VAL 41 - HG2 PRO 36 far 0 96 0 - 9.2-11.3 HD3 PRO 34 - HG2 PRO 36 far 0 68 0 - 9.5-10.8 HA VAL 41 - HG3 PRO 36 far 0 95 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (4.61, 2.10, 27.61 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 36 + HG3 PRO 36 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (2.12, 2.10, 27.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HG3 PRO 36 + HG3 PRO 36 OK 60 60 - 100 Reference assignment not found: HB2 PRO 36 - HG3 PRO 36 Peak 1803 from cnoeabs.peaks (2.45, 2.10, 27.61 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-3.0 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 5 assignments used, quality = 1.00: * HD2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 7.0-10.4 HA ILE 33 - HG2 PRO 36 far 0 88 0 - 9.6-10.4 HA LEU 51 - HG2 PRO 36 far 0 80 0 - 9.8-11.7 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 6 assignments used, quality = 1.00: * HD3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 34 - HG3 PRO 56 far 0 43 0 - 5.1-8.2 HA VAL 41 - HG2 PRO 36 far 0 95 0 - 9.2-11.3 HD3 PRO 34 - HG2 PRO 36 far 0 68 0 - 9.5-10.8 HA VAL 41 - HG3 PRO 36 far 0 96 0 - 9.7-11.8 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 4 assignments used, quality = 1.00: * HB THR 37 + HA THR 37 OK 100 100 100 100 2.3-2.6 3.0=100 HA LYS 39 - HA THR 37 far 0 65 0 - 5.9-6.8 HA THR 15 - HA THR 37 far 0 76 0 - 9.0-23.7 HA LYS 85 - HA THR 37 far 0 99 0 - 9.2-35.8 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 4 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 - 8.5-20.8 HG LEU 52 - HA THR 37 far 0 73 0 - 9.2-11.5 HG12 ILE 89 - HA THR 37 far 0 60 0 - 9.7-44.7 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 2.4-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (3.94, 4.22, 68.34 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * HA THR 37 + HB THR 37 OK 100 100 100 100 2.3-2.6 3.0=100 HA2 GLY 72 - HB THR 37 far 0 65 0 - 5.0-8.2 HA3 GLY 18 - HB THR 37 far 0 99 0 - 5.1-18.7 HA2 GLY 18 - HB THR 37 far 0 99 0 - 5.3-18.8 HA ALA 28 - HB THR 37 far 0 78 0 - 5.3-7.7 HA3 GLY 21 - HB THR 37 far 0 92 0 - 7.2-13.3 HA2 GLY 21 - HB THR 37 far 0 90 0 - 8.4-13.9 HA GLN 61 - HB THR 37 far 0 60 0 - 9.8-12.7 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 3 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 - 9.0-19.8 HG12 ILE 89 - HB THR 37 far 0 60 0 - 9.7-46.5 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (8.81, 1.17, 22.48 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + QG2 THR 37 OK 100 100 100 100 1.9-2.5 586=100, 119/4.1=47...(5) 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 8 assignments used, quality = 1.00: * HA THR 37 + QG2 THR 37 OK 100 100 100 100 2.5-3.2 3.2=100 HA3 GLY 18 - QG2 THR 37 far 10 99 10 - 2.7-16.3 HA2 GLY 18 - QG2 THR 37 far 5 99 5 - 2.6-16.2 HA ALA 28 - QG2 THR 37 far 4 78 5 - 4.8-7.8 HA2 GLY 72 - QG2 THR 37 far 3 65 5 - 4.8-6.7 HA3 GLY 21 - QG2 THR 37 far 0 92 0 - 5.1-9.8 HA2 GLY 21 - QG2 THR 37 far 0 90 0 - 5.8-10.3 HA GLN 61 - QG2 THR 37 far 0 60 0 - 9.2-11.9 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 9 assignments used, quality = 1.00: * HB THR 37 + QG2 THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 HA LYS 85 - QG2 THR 37 far 0 99 0 - 5.0-30.7 HA LYS 75 - QG2 THR 37 far 0 81 0 - 6.4-16.1 HA LYS 39 - QG2 THR 37 far 0 65 0 - 6.5-7.6 HA THR 15 - QG2 THR 37 far 0 76 0 - 6.9-19.0 HA GLN 79 - QG2 THR 37 far 0 68 0 - 7.7-21.5 HA ALA 77 - QG2 THR 37 far 0 97 0 - 8.0-17.9 HA ALA 78 - QG2 THR 37 far 0 89 0 - 8.2-19.4 HA LYS 83 - QG2 THR 37 far 0 83 0 - 8.6-25.6 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: * HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.4-3.0 3.0=92, 589/3.0=22...(10) HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=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: HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.4-3.0 3.0=92, 589/3.0=22...(10) * HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=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 + HB2 ASP 38 OK 98 100 100 98 2.1-3.6 4.0=80, 590/1.8=44...(11) H ASP 38 + HB3 ASP 38 OK 98 100 100 98 2.3-3.6 4.0=80, 589/1.8=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): 3 out of 10 assignments used, quality = 1.00: * HA ASP 38 + HB2 ASP 38 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 38 + HB3 ASP 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB2 ASP 38 OK 21 60 80 45 4.0-5.6 3.0/125=18, ~126=11...(7) HA LYS 39 - HB3 ASP 38 poor 15 60 55 44 3.8-5.7 3.0/126=18, ~125=11...(7) HA GLU 19 - HB2 ASP 38 far 0 78 0 - 5.7-20.3 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 6.4-23.2 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 6.8-19.7 HA ALA 20 - HB2 ASP 38 far 0 87 0 - 7.7-16.6 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 7.8-17.3 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 8.1-22.9 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 + HB2 ASP 38 OK 98 100 100 98 2.1-3.6 4.0=80, 590/1.8=44...(11) * H ASP 38 + HB3 ASP 38 OK 98 100 100 98 2.3-3.6 4.0=80, 589/1.8=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): 3 out of 10 assignments used, quality = 1.00: * HA ASP 38 + HB3 ASP 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 38 + HB2 ASP 38 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 39 + HB2 ASP 38 OK 21 60 80 45 4.0-5.6 3.0/125=18, ~126=11...(7) HA LYS 39 - HB3 ASP 38 poor 15 60 55 44 3.8-5.7 3.0/126=18, ~125=11...(7) HA GLU 19 - HB2 ASP 38 far 0 78 0 - 5.7-20.3 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 6.4-23.2 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 6.8-19.7 HA ALA 20 - HB2 ASP 38 far 0 87 0 - 7.7-16.6 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 7.8-17.3 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 8.1-22.9 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 2.8-2.9 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 2.3-3.0 3.0=100 HB2 ARG 17 - HA LYS 39 far 0 92 0 - 9.4-27.7 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 5 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 13 - HA LYS 39 far 0 99 0 - 5.9-31.7 HB2 ARG 69 - HA LYS 39 far 0 83 0 - 8.0-11.3 HG2 PRO 34 - HA LYS 39 far 0 76 0 - 9.1-14.0 HB2 PRO 34 - HA LYS 39 far 0 100 0 - 9.9-14.1 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 2 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.6-4.2 4.1=89, 1.8/1837=87...(26) HG3 ARG 54 - HA LYS 39 far 0 63 0 - 10.0-15.9 Violated in 2 structures by 0.02 A. Peak 1837 from cnoeabs.peaks (1.40, 4.25, 57.41 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.99: * HG3 LYS 39 + HA LYS 39 OK 99 100 100 99 2.0-3.6 1873=63, 1.8/1836=57...(26) HG2 LYS 13 - HA LYS 39 far 0 85 0 - 7.4-34.0 HB3 ARG 69 - HA LYS 39 far 0 97 0 - 7.7-11.7 QB ALA 20 - HA LYS 39 far 0 65 0 - 7.9-16.7 HG3 ARG 69 - HA LYS 39 far 0 63 0 - 8.1-12.2 QB ALA 78 - HA LYS 39 far 0 89 0 - 8.2-22.3 HG3 LYS 73 - HA LYS 39 far 0 89 0 - 9.4-12.9 Violated in 10 structures by 0.04 A. Peak 1838 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.79 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.0-4.6 3.0/1837=65, 5.0=43...(49) HD3 LYS 39 + HA LYS 39 OK 90 100 90 100 3.3-5.4 3.0/1837=65, 5.0=43...(51) HB3 LEU 51 - HA LYS 39 far 0 90 0 - 5.9-9.8 HD2 LYS 73 - HA LYS 39 far 0 65 0 - 8.1-14.3 HD3 LYS 73 - HA LYS 39 far 0 65 0 - 8.7-15.1 HG3 ARG 54 - HA LYS 39 far 0 99 0 - 10.0-15.9 Violated in 12 structures by 0.22 A. Peak 1839 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.79 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.0-4.6 3.0/1837=65, 5.0=43...(49) * HD3 LYS 39 + HA LYS 39 OK 90 100 90 100 3.3-5.4 3.0/1837=65, 5.0=43...(51) HB3 LEU 51 - HA LYS 39 far 0 89 0 - 5.9-9.8 HD2 LYS 73 - HA LYS 39 far 0 63 0 - 8.1-14.3 HD3 LYS 73 - HA LYS 39 far 0 63 0 - 8.7-15.1 HG3 ARG 54 - HA LYS 39 far 0 99 0 - 10.0-15.9 Violated in 12 structures by 0.22 A. Peak 1842 from cnoeabs.peaks (7.39, 1.85, 32.41 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-3.7 4.0=100 H LYS 39 - HB2 LYS 75 far 0 87 0 - 9.3-21.0 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (4.25, 1.85, 32.41 ppm; 3.41 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 75 + HB2 LYS 75 OK 85 85 100 100 2.5-3.0 3.0=100 HA THR 15 - HB2 LYS 39 far 5 100 5 - 3.9-27.6 HA ALA 20 - HB2 LYS 75 far 4 81 5 - 4.5-26.5 HA ALA 77 - HB2 LYS 75 far 0 72 0 - 5.1-8.2 HA ASP 38 - HB2 LYS 39 far 0 60 0 - 5.5-6.6 HB THR 37 - HB2 LYS 75 far 0 51 0 - 6.0-18.8 HA ASP 38 - HB2 LYS 75 far 0 46 0 - 6.5-17.9 HB THR 37 - HB2 LYS 39 far 0 65 0 - 7.0-9.3 HA ARG 17 - HB2 LYS 39 far 0 63 0 - 8.0-25.1 HA GLU 19 - HB2 LYS 75 far 0 85 0 - 8.3-28.4 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 poor 17 86 20 - 2.7-9.6 HB2 LYS 13 - HB2 LYS 39 far 0 99 0 - 5.5-30.4 HG2 PRO 34 - HB2 LYS 39 far 0 76 0 - 6.4-12.4 HB2 ARG 69 - HB2 LYS 75 far 0 66 0 - 7.0-14.7 HB2 PRO 34 - HB2 LYS 39 far 0 100 0 - 7.3-12.5 HB ILE 33 - HB2 LYS 39 far 0 93 0 - 7.7-11.1 HB2 ARG 54 - HB2 LYS 39 far 0 89 0 - 8.1-12.3 HB2 ARG 69 - HB2 LYS 39 far 0 83 0 - 8.4-12.1 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 5 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 23 - HB2 LYS 75 far 0 85 0 - 6.9-24.9 HG3 ARG 54 - HB2 LYS 39 far 0 63 0 - 8.1-14.9 HB3 ARG 54 - HB2 LYS 39 far 0 100 0 - 9.3-13.4 HG LEU 64 - HB2 LYS 75 far 0 84 0 - 9.8-19.7 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 14 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.2-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.2-3.0 2.7=100 HG3 LYS 73 - HB2 LYS 75 poor 8 72 40 29 2.6-9.8 5257/5110=4, 5892/4.0=4...(12) QB ALA 77 - HB2 LYS 75 far 2 46 5 - 4.3-7.4 QB ALA 20 - HB2 LYS 75 far 0 51 0 - 5.1-23.6 HG3 ARG 69 - HB2 LYS 75 far 0 48 0 - 5.2-14.3 QB ALA 78 - HB2 LYS 75 far 0 72 0 - 5.2-10.7 HB3 ARG 69 - HB2 LYS 75 far 0 82 0 - 5.2-14.7 HG2 LYS 13 - HB2 LYS 39 far 0 85 0 - 6.1-32.7 QB ALA 20 - HB2 LYS 39 far 0 65 0 - 8.2-17.1 HG3 ARG 69 - HB2 LYS 39 far 0 63 0 - 8.4-13.2 HB3 ARG 69 - HB2 LYS 39 far 0 97 0 - 8.5-12.6 QB ALA 53 - HB2 LYS 39 far 0 96 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 1848 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 3 out of 7 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.9 3.5=100 HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.2 3.5=100 HB3 LEU 51 + HB2 LYS 39 OK 21 90 25 91 4.5-9.2 3.1/5204=41, 3.1/5203=30...(14) HD2 LYS 73 - HB2 LYS 75 poor 8 51 40 41 3.7-11.4 1894=4, 1.8/1894=3...(18) HD3 LYS 73 - HB2 LYS 75 poor 8 51 40 40 2.3-11.3 1894=4, 1883/3.0=4...(17) HG3 ARG 70 - HB2 LYS 75 far 0 46 0 - 7.3-13.1 HG3 ARG 54 - HB2 LYS 39 far 0 99 0 - 8.1-14.9 Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 3 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 2.2-3.9 3.5=100 HB3 LEU 51 + HB2 LYS 39 OK 20 89 25 91 4.5-9.2 3.1/5204=41, 3.1/5203=30...(14) HD3 LYS 73 - HB2 LYS 75 poor 19 48 40 - 2.3-11.3 HD2 LYS 73 - HB2 LYS 75 poor 19 48 40 - 3.7-11.4 HG3 ARG 54 - HB2 LYS 39 far 0 99 0 - 8.1-14.9 Violated in 0 structures by 0.00 A. Peak 1850 from cnoeabs.peaks (2.98, 1.85, 32.41 ppm; 4.93 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-5.5 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-5.5 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.2-5.1 5.0=98, 2.9/3118=44...(46) HE3 LYS 75 + HB2 LYS 75 OK 72 72 100 100 2.2-5.0 5.0=98, 2.9/3118=44...(47) HE3 LYS 73 - HB2 LYS 75 poor 10 55 45 40 2.4-10.9 3.0/1894=3, 3.0/1894=3...(14) HE2 LYS 73 - HB2 LYS 75 poor 8 58 40 35 2.8-12.1 3.0/1894=3, 3.0/1894=3...(14) HE3 LYS 13 - HB2 LYS 39 far 0 97 0 - 7.9-29.1 HB3 TYR 81 - HB2 LYS 75 far 0 87 0 - 8.7-15.0 HE2 LYS 13 - HB2 LYS 39 far 0 97 0 - 8.9-30.7 HE3 LYS 73 - HB2 LYS 39 far 0 71 0 - 9.6-16.0 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 10 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-5.5 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-5.5 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 70 70 100 100 2.2-5.1 5.0=98, 2.9/3118=44...(45) HE3 LYS 75 + HB2 LYS 75 OK 68 68 100 100 2.2-5.0 5.0=98, 2.9/3118=44...(46) HE3 LYS 73 - HB2 LYS 75 poor 9 51 45 40 2.4-10.9 3.0/1894=3, 3.0/1894=3...(14) HE2 LYS 73 - HB2 LYS 75 poor 7 53 40 35 2.8-12.1 3.0/1894=3, 3.0/1894=3...(14) HE3 LYS 13 - HB2 LYS 39 far 0 95 0 - 7.9-29.1 HB3 TYR 81 - HB2 LYS 75 far 0 87 0 - 8.7-15.0 HE2 LYS 13 - HB2 LYS 39 far 0 96 0 - 8.9-30.7 HE3 LYS 73 - HB2 LYS 39 far 0 65 0 - 9.6-16.0 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 3 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 4.0=100 H LYS 39 - HB2 LYS 13 far 0 99 0 - 7.4-28.9 H LYS 39 - HB2 LYS 85 far 0 75 0 - 9.2-37.6 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (4.25, 1.78, 32.41 ppm; 3.23 A): 4 out of 31 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 83 + HB2 LYS 83 OK 92 92 100 100 2.4-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 91 91 100 100 2.3-3.0 3.0=100 HA LYS 85 + HB2 LYS 85 OK 53 53 100 100 2.4-3.0 3.0=100 HA THR 15 - HB3 LYS 39 far 5 100 5 - 4.4-29.3 HA THR 15 - HB2 LYS 13 far 5 98 5 - 3.8-7.4 HA ALA 12 - HB2 LYS 13 far 5 97 5 - 4.5-6.0 HA ALA 77 - HB3 LYS 73 far 4 87 5 - 4.6-14.5 HA LYS 83 - HB2 LYS 85 far 0 72 0 - 4.7-9.4 HA LYS 75 - HB3 LYS 73 far 0 99 0 - 4.9-8.1 HA ALA 20 - HB3 LYS 75 far 0 87 0 - 5.4-28.2 HA ASP 38 - HB3 LYS 39 far 0 60 0 - 5.5-6.5 HA ALA 77 - HB3 LYS 75 far 0 78 0 - 5.8-8.9 HA LYS 85 - HB2 LYS 83 far 0 71 0 - 5.8-8.9 HA LYS 39 - HB2 LYS 13 far 0 99 0 - 5.9-31.7 HA ARG 17 - HB2 LYS 13 far 0 60 0 - 6.6-13.9 HB THR 37 - HB3 LYS 39 far 0 65 0 - 6.8-9.3 HA ASP 38 - HB3 LYS 75 far 0 51 0 - 6.8-16.9 HB THR 37 - HB3 LYS 75 far 0 56 0 - 6.9-19.1 HB THR 37 - HB3 LYS 73 far 0 64 0 - 7.0-12.7 HA ALA 77 - HB2 LYS 83 far 0 79 0 - 7.2-17.1 HA LYS 83 - HB3 LYS 73 far 0 98 0 - 7.6-22.5 HA ASP 38 - HB3 LYS 73 far 0 59 0 - 7.9-10.9 HA GLU 19 - HB3 LYS 39 far 0 99 0 - 8.5-22.3 HA GLU 19 - HB3 LYS 75 far 0 91 0 - 8.8-30.1 HB THR 37 - HB2 LYS 85 far 0 42 0 - 8.9-37.3 HA GLU 19 - HB2 LYS 13 far 0 97 0 - 9.1-20.3 HA ARG 17 - HB3 LYS 39 far 0 63 0 - 9.7-26.1 HA ARG 17 - HB3 LYS 73 far 0 61 0 - 9.7-30.4 HA ALA 12 - HB3 LYS 39 far 0 99 0 - 9.7-37.1 HA ASP 38 - HB2 LYS 85 far 0 38 0 - 9.8-36.9 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 22 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 poor 19 94 20 - 2.7-9.6 HB3 ARG 71 - HB3 LYS 75 far 5 93 5 - 3.4-13.9 HB2 ARG 71 - HB3 LYS 75 far 0 93 0 - 4.3-14.1 HB2 ARG 23 - HB3 LYS 75 far 0 90 0 - 5.1-25.3 HB2 LYS 39 - HB2 LYS 13 far 0 99 0 - 5.5-30.4 HB2 ARG 71 - HB3 LYS 73 far 0 99 0 - 6.0-8.7 HB2 MET 11 - HB2 LYS 13 far 0 55 0 - 6.0-10.4 HB3 ARG 71 - HB3 LYS 73 far 0 99 0 - 6.3-9.2 HB3 ARG 23 - HB3 LYS 75 far 0 91 0 - 6.7-23.8 HB2 ARG 17 - HB2 LYS 13 far 0 89 0 - 7.1-16.0 HB3 ARG 26 - HB2 LYS 13 far 0 65 0 - 7.2-27.0 HB3 PRO 34 - HB3 LYS 39 far 0 85 0 - 7.8-12.4 HB2 ARG 27 - HB3 LYS 75 far 0 93 0 - 8.2-23.1 HB2 ARG 26 - HB2 LYS 13 far 0 68 0 - 8.4-28.2 HB2 ARG 17 - HB3 LYS 39 far 0 92 0 - 8.5-25.8 HB2 ARG 66 - HB2 LYS 83 far 0 71 0 - 8.7-32.2 HB2 ARG 66 - HB3 LYS 73 far 0 79 0 - 8.8-11.6 HB3 ARG 27 - HB3 LYS 75 far 0 93 0 - 8.8-22.5 HB2 ARG 26 - HB3 LYS 75 far 0 61 0 - 9.3-26.9 HB3 ARG 71 - HB2 LYS 83 far 0 94 0 - 9.3-28.4 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 13 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 86 + HB2 LYS 85 OK 57 63 100 89 4.4-7.1 861/4.6=87, 3.1/5109=9...(4) HG2 ARG 82 + HB2 LYS 83 OK 42 73 85 67 4.6-8.6 5.0/832=46, 3.8/2979=17...(5) HG2 LYS 39 - HB2 LYS 13 far 5 99 5 - 6.4-30.2 HG3 ARG 23 - HB3 LYS 75 far 5 91 5 - 7.1-26.4 HG2 ARG 82 - HB3 LYS 73 far 4 81 5 - 5.7-20.6 HG2 ARG 82 - HB2 LYS 85 far 3 55 5 - 7.7-14.5 HB3 LEU 86 - HB3 LYS 39 far 0 92 0 - 8.8-39.6 HB3 LEU 86 - HB2 LYS 83 far 0 83 0 - 9.3-13.8 HG3 ARG 54 - HB3 LYS 39 far 0 63 0 - 9.4-15.1 HB3 ARG 54 - HB3 LYS 39 far 0 100 0 - 9.5-13.3 HB3 ARG 54 - HB2 LYS 13 far 0 99 0 - 9.6-36.5 HG LEU 64 - HB3 LYS 75 far 0 90 0 - 9.8-20.3 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 33 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 2.3-3.0 2.9=100 HG2 LYS 13 + HB2 LYS 13 OK 82 82 100 100 2.3-3.0 3.0=100 HG3 LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.2-3.0 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 ARG 69 - HB3 LYS 73 poor 12 61 20 - 3.4-6.8 HG3 LYS 73 - HB3 LYS 75 poor 7 78 35 27 2.6-9.2 1.8/2991=3, 5258/4346=3...(13) HB3 ARG 69 - HB3 LYS 73 far 5 96 5 - 3.4-8.2 HG3 LYS 75 - HB3 LYS 73 far 5 90 5 - 3.6-9.6 HG2 LYS 75 - HB3 LYS 73 far 5 90 5 - 3.7-9.7 QB ALA 78 - HB2 LYS 83 far 4 79 5 - 4.5-12.0 QB ALA 20 - HB3 LYS 75 far 0 56 0 - 4.9-25.0 QB ALA 77 - HB3 LYS 73 far 0 59 0 - 5.1-13.4 HG2 LYS 13 - HB3 LYS 39 far 0 85 0 - 5.2-34.3 QB ALA 77 - HB3 LYS 75 far 0 51 0 - 5.2-7.7 QB ALA 78 - HB3 LYS 75 far 0 78 0 - 5.3-11.0 HG3 LYS 39 - HB2 LYS 13 far 0 99 0 - 5.3-31.2 QB ALA 78 - HB3 LYS 73 far 0 87 0 - 5.3-14.3 QB ALA 77 - HB2 LYS 83 far 0 52 0 - 5.4-15.4 HB3 ARG 69 - HB3 LYS 75 far 0 88 0 - 6.2-14.1 HG3 ARG 69 - HB3 LYS 75 far 0 53 0 - 6.6-13.5 HG2 LYS 85 - HB2 LYS 83 far 0 57 0 - 6.7-11.5 HG3 LYS 73 - HB2 LYS 83 far 0 79 0 - 6.7-25.1 QB ALA 78 - HB2 LYS 85 far 0 60 0 - 7.9-16.8 HB3 ARG 69 - HB3 LYS 39 far 0 97 0 - 8.4-12.5 QB ALA 20 - HB3 LYS 39 far 0 65 0 - 8.6-17.3 HG3 ARG 69 - HB3 LYS 39 far 0 63 0 - 8.6-13.4 QB ALA 20 - HB2 LYS 13 far 0 63 0 - 8.7-20.9 QB ALA 20 - HB3 LYS 73 far 0 64 0 - 8.8-20.1 HG3 ARG 69 - HB2 LYS 83 far 0 55 0 - 9.1-28.7 QB ALA 78 - HB3 LYS 39 far 0 89 0 - 9.9-22.3 QB ALA 53 - HB3 LYS 39 far 0 96 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.65 A): 7 out of 34 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.0-3.6 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.3-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.3-3.9 3.5=100 HG2 ARG 84 + HB2 LYS 83 OK 27 89 55 54 3.6-6.9 844/4.3=28, 5896/4.0=25...(6) HG3 ARG 84 + HB2 LYS 83 OK 26 89 55 52 3.1-7.8 844/4.3=28, 5896/4.0=22...(6) HB3 LEU 86 + HB2 LYS 85 OK 25 55 80 57 4.4-7.1 861/4.6=51, 3.1/5109=6...(4) HD3 LYS 73 - HB3 LYS 75 poor 15 56 45 59 3.0-10.8 2.9/2982=6, 1883/3.0=5...(35) HG3 ARG 70 - HB3 LYS 73 poor 15 59 25 - 5.0-8.1 HG3 ARG 84 - HB2 LYS 85 poor 14 70 20 - 4.2-8.8 HB3 LEU 51 - HB3 LYS 39 far 14 90 15 - 5.0-9.6 HD2 LYS 73 - HB3 LYS 75 poor 13 56 40 58 2.2-11.1 2.9/2982=6, 5.2/2979=4...(36) HG LEU 86 - HB2 LYS 85 poor 13 63 20 - 4.4-8.5 HD2 LYS 32 - HB2 LYS 13 poor 13 63 20 - 5.2-31.0 HD3 LYS 32 - HB2 LYS 13 poor 11 57 20 - 4.8-30.3 HD2 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.2-31.9 HD3 LYS 39 - HB2 LYS 13 far 5 99 5 - 5.6-30.4 HG2 ARG 84 - HB2 LYS 85 far 3 70 5 - 5.7-8.4 HB3 LEU 29 - HB2 LYS 13 lone 2 99 30 6 3.0-29.5 ~3466=3, ~5255=2 HD2 LYS 73 - HB2 LYS 83 far 0 57 0 - 6.2-26.0 HG3 ARG 70 - HB2 LYS 83 far 0 52 0 - 6.4-27.2 HG3 ARG 70 - HB3 LYS 75 far 0 51 0 - 7.0-13.0 HD3 LYS 73 - HB2 LYS 83 far 0 57 0 - 7.7-25.5 HB3 LEU 29 - HB2 LYS 85 far 0 75 0 - 8.1-45.2 HG2 ARG 84 - HB3 LYS 73 far 0 96 0 - 8.2-24.6 HG3 ARG 70 - HB2 LYS 85 far 0 38 0 - 8.3-30.8 HB3 LEU 51 - HB2 LYS 13 far 0 88 0 - 8.5-33.8 HG LEU 86 - HB2 LYS 83 far 0 83 0 - 8.7-15.3 HB3 LEU 86 - HB3 LYS 39 far 0 83 0 - 8.8-39.6 HG LEU 86 - HB3 LYS 39 far 0 92 0 - 8.9-41.6 HG3 ARG 84 - HB3 LYS 73 far 0 96 0 - 9.0-25.7 HB3 LEU 86 - HB2 LYS 83 far 0 73 0 - 9.3-13.8 HG3 ARG 54 - HB3 LYS 39 far 0 99 0 - 9.4-15.1 HD2 LYS 73 - HB3 LYS 39 far 0 65 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 1859 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.65 A): 7 out of 29 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.0-3.6 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.3-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.3-3.9 3.5=100 HB3 LEU 86 + HB2 LYS 85 OK 26 57 80 58 4.4-7.1 861/4.6=52, 3.1/5109=6...(4) HG2 ARG 84 + HB2 LYS 83 OK 26 88 55 54 3.6-6.9 844/4.3=28, 5896/4.0=24...(6) HG3 ARG 84 + HB2 LYS 83 OK 25 88 55 52 3.1-7.8 844/4.3=28, 5896/4.0=22...(6) HD3 LYS 73 - HB3 LYS 75 poor 14 53 45 59 3.0-10.8 2.9/2982=6, 1883/3.0=5...(35) HG3 ARG 84 - HB2 LYS 85 poor 14 69 20 - 4.2-8.8 HB3 LEU 51 - HB3 LYS 39 far 13 89 15 - 5.0-9.6 HD2 LYS 73 - HB3 LYS 75 poor 13 53 40 58 2.2-11.1 2.9/2982=6, 5.2/2979=4...(36) HG LEU 86 - HB2 LYS 85 poor 12 62 20 - 4.4-8.5 HD2 LYS 32 - HB2 LYS 13 poor 12 60 20 - 5.2-31.0 HD2 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.2-31.9 HD3 LYS 39 - HB2 LYS 13 far 5 99 5 - 5.6-30.4 HG2 ARG 84 - HB2 LYS 85 far 3 69 5 - 5.7-8.4 HB3 LEU 29 - HB2 LYS 13 lone 2 99 30 6 3.0-29.5 ~3466=3, ~5255=2 HD2 LYS 73 - HB2 LYS 83 far 0 55 0 - 6.2-26.0 HD3 LYS 73 - HB2 LYS 83 far 0 55 0 - 7.7-25.5 HB3 LEU 29 - HB2 LYS 85 far 0 75 0 - 8.1-45.2 HG2 ARG 84 - HB3 LYS 73 far 0 95 0 - 8.2-24.6 HB3 LEU 51 - HB2 LYS 13 far 0 86 0 - 8.5-33.8 HG LEU 86 - HB2 LYS 83 far 0 81 0 - 8.7-15.3 HB3 LEU 86 - HB3 LYS 39 far 0 85 0 - 8.8-39.6 HG LEU 86 - HB3 LYS 39 far 0 90 0 - 8.9-41.6 HG3 ARG 84 - HB3 LYS 73 far 0 95 0 - 9.0-25.7 HB3 LEU 86 - HB2 LYS 83 far 0 76 0 - 9.3-13.8 HG3 ARG 54 - HB3 LYS 39 far 0 99 0 - 9.4-15.1 HD2 LYS 73 - HB3 LYS 39 far 0 63 0 - 9.7-15.9 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 24 assignments used, quality = 1.00: * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-5.0 4.7=77, 1906/2.9=38...(46) HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.9-5.0 4.7=77, 1916/2.9=38...(46) HE2 LYS 13 + HB2 LYS 13 OK 95 95 100 99 2.2-5.4 5.2=56, 1064/3.0=24...(37) HE3 LYS 13 + HB2 LYS 13 OK 94 94 100 99 2.1-4.8 5.2=56, 1064/3.0=24...(37) HE2 LYS 75 + HB3 LYS 75 OK 80 80 100 100 3.2-5.4 5.0=65, ~3128=26...(36) HE3 LYS 75 + HB3 LYS 75 OK 78 78 100 100 2.4-4.7 5.0=65, ~3128=26...(36) HE2 LYS 73 + HB3 LYS 73 OK 71 72 100 100 2.6-5.4 4.7=77, ~3020=26...(35) HE3 LYS 73 + HB3 LYS 73 OK 69 69 100 100 3.1-5.1 4.7=77, ~3020=26...(35) HE3 LYS 73 - HB3 LYS 75 poor 18 61 30 - 2.2-10.9 HE2 LYS 73 - HB3 LYS 75 poor 10 63 35 43 2.3-11.0 3.7/2982=4, 3.0/2984=4...(25) HE2 LYS 32 - HB2 LYS 13 far 7 71 10 - 4.8-30.7 HE2 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.5-31.8 HE3 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.6-32.3 HB3 TYR 81 - HB2 LYS 83 far 5 94 5 - 5.7-10.2 HE3 LYS 32 - HB2 LYS 13 far 4 73 5 - 4.8-31.7 HE3 LYS 75 - HB3 LYS 73 far 0 87 0 - 5.9-10.9 HE2 LYS 75 - HB3 LYS 73 far 0 89 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 99 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 64 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 97 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 62 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 97 0 - 8.2-30.7 HB3 TYR 81 - HB3 LYS 75 far 0 93 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 71 0 - 9.7-16.0 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 24 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.9-5.0 4.7=77, 1916/2.9=38...(46) HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-5.0 4.7=77, 1906/2.9=38...(46) HE2 LYS 13 + HB2 LYS 13 OK 93 93 100 99 2.2-5.4 5.2=56, 1064/3.0=23...(37) HE3 LYS 13 + HB2 LYS 13 OK 91 92 100 99 2.1-4.8 5.2=56, 1064/3.0=23...(37) HE2 LYS 75 + HB3 LYS 75 OK 76 76 100 100 3.2-5.4 5.0=65, ~3128=26...(36) HE3 LYS 75 + HB3 LYS 75 OK 74 74 100 100 2.4-4.7 5.0=65, ~3128=26...(36) HE2 LYS 73 + HB3 LYS 73 OK 66 67 100 100 2.6-5.4 4.7=77, ~3020=26...(35) HE3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 3.1-5.1 4.7=77, ~3020=26...(35) HE3 LYS 73 - HB3 LYS 75 poor 17 56 30 - 2.2-10.9 HE2 LYS 73 - HB3 LYS 75 poor 9 58 35 42 2.3-11.0 3.7/2982=4, 3.0/2984=4...(25) HE2 LYS 32 - HB2 LYS 13 far 7 65 10 - 4.8-30.7 HE3 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.6-32.3 HE2 LYS 39 - HB2 LYS 13 far 5 99 5 - 4.5-31.8 HB3 TYR 81 - HB2 LYS 83 far 5 94 5 - 5.7-10.2 HE3 LYS 32 - HB2 LYS 13 far 3 68 5 - 4.8-31.7 HE3 LYS 75 - HB3 LYS 73 far 0 83 0 - 5.9-10.9 HE2 LYS 75 - HB3 LYS 73 far 0 85 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 100 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 60 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 95 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 57 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 96 0 - 8.2-30.7 HB3 TYR 81 - HB3 LYS 75 far 0 93 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 65 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 1862 from cnoeabs.peaks (7.39, 1.55, 25.35 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.8-4.6 595=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 5 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-4.2 4.1=100 HA ASP 38 - HG2 LYS 39 far 0 60 0 - 5.9-7.7 HA THR 15 - HG2 LYS 39 far 0 100 0 - 6.1-27.2 HB THR 37 - HG2 LYS 39 far 0 65 0 - 6.5-9.9 HA GLU 19 - HG2 LYS 39 far 0 99 0 - 8.8-23.3 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 2.2-3.0 2.9=100 HB3 PRO 34 - HG2 LYS 39 far 0 85 0 - 7.0-10.5 HB2 ARG 17 - HG2 LYS 39 far 0 92 0 - 9.3-27.8 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 2.2-3.0 2.9=100 HB2 LYS 13 - HG2 LYS 39 far 0 99 0 - 6.4-30.2 HG2 PRO 34 - HG2 LYS 39 far 0 76 0 - 6.7-10.3 HB2 PRO 34 - HG2 LYS 39 far 0 100 0 - 6.8-10.3 HB ILE 33 - HG2 LYS 39 far 0 93 0 - 7.6-10.9 HB2 ARG 54 - HG2 LYS 39 far 0 89 0 - 7.8-11.1 HB2 ARG 69 - HG2 LYS 39 far 0 83 0 - 8.1-13.0 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 HG2 LYS 13 - HG2 LYS 39 far 0 85 0 - 6.7-31.8 HB3 ARG 69 - HG2 LYS 39 far 0 97 0 - 7.7-13.1 QB ALA 20 - HG2 LYS 39 far 0 65 0 - 8.0-17.2 HG3 ARG 69 - HG2 LYS 39 far 0 63 0 - 8.2-13.4 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 7 assignments used, quality = 1.00: HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=59, 1.8/1886=31...(42) * HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=59, 1.8/1886=31...(40) HB3 LEU 51 - HG2 LYS 39 far 0 90 0 - 4.8-7.9 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 8.1-13.8 HD2 LYS 73 - HG2 LYS 39 far 0 65 0 - 9.3-17.6 HB3 LEU 86 - HG2 LYS 39 far 0 83 0 - 9.6-39.6 HD3 LYS 73 - HG2 LYS 39 far 0 65 0 - 9.9-18.3 Violated in 3 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.48 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=59, 1.8/1886=31...(42) HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=59, 1.8/1886=31...(40) HB3 LEU 51 - HG2 LYS 39 far 0 89 0 - 4.8-7.9 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 8.1-13.8 HD2 LYS 73 - HG2 LYS 39 far 0 63 0 - 9.3-17.6 HB3 LEU 86 - HG2 LYS 39 far 0 85 0 - 9.6-39.6 HD3 LYS 73 - HG2 LYS 39 far 0 63 0 - 9.9-18.3 Violated in 3 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 2.3-3.9 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.9 3.6=100 HE3 LYS 13 - HG2 LYS 39 far 0 97 0 - 8.1-30.8 HE2 LYS 13 - HG2 LYS 39 far 0 97 0 - 9.5-30.1 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 2.4-3.9 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.9 3.6=100 HE3 LYS 13 - HG2 LYS 39 far 0 95 0 - 8.1-30.8 HE2 LYS 13 - HG2 LYS 39 far 0 96 0 - 9.5-30.1 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 2.2-4.5 596=100, 595/1.8=91...(19) 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 2.0-3.6 1837=100, 1836/1.8=77...(26) HA ASP 38 - HG3 LYS 39 far 0 60 0 - 5.6-7.2 HB THR 37 - HG3 LYS 39 far 0 65 0 - 6.0-9.7 HA THR 15 - HG3 LYS 39 far 0 100 0 - 6.5-28.9 HA ARG 17 - HG3 LYS 39 far 0 63 0 - 9.8-26.2 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 3 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 - 8.4-11.8 HB2 ARG 17 - HG3 LYS 39 far 0 92 0 - 9.0-28.3 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 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 13 - HG3 LYS 39 far 5 99 5 - 5.3-31.2 HB ILE 33 - HG3 LYS 39 far 0 93 0 - 7.7-11.2 HB2 ARG 69 - HG3 LYS 39 far 0 83 0 - 7.8-13.0 HG2 PRO 34 - HG3 LYS 39 far 0 76 0 - 8.0-11.7 HB2 PRO 34 - HG3 LYS 39 far 0 100 0 - 8.3-11.6 HB2 ARG 54 - HG3 LYS 39 far 0 89 0 - 8.5-11.9 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 HG3 ARG 54 - HG3 LYS 39 far 0 63 0 - 8.9-12.9 HB3 ARG 54 - HG3 LYS 39 far 0 100 0 - 9.4-12.2 HB3 LEU 86 - HG3 LYS 39 far 0 92 0 - 9.6-39.7 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 8 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(40) HD3 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(41) HB3 LEU 51 - HG3 LYS 39 far 0 90 0 - 5.3-7.5 HD2 LYS 73 - HG3 LYS 39 far 0 65 0 - 8.6-16.7 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 8.9-12.9 HD3 LYS 73 - HG3 LYS 39 far 0 65 0 - 9.0-17.4 HB3 LEU 86 - HG3 LYS 39 far 0 83 0 - 9.6-39.7 HG LEU 86 - HG3 LYS 39 far 0 92 0 - 9.9-40.2 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 8 assignments used, quality = 1.00: HD2 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(40) * HD3 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=86, 1886/1.8=38...(41) HB3 LEU 51 - HG3 LYS 39 far 0 89 0 - 5.3-7.5 HD2 LYS 73 - HG3 LYS 39 far 0 63 0 - 8.6-16.7 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 8.9-12.9 HD3 LYS 73 - HG3 LYS 39 far 0 63 0 - 9.0-17.4 HB3 LEU 86 - HG3 LYS 39 far 0 85 0 - 9.6-39.7 HG LEU 86 - HG3 LYS 39 far 0 90 0 - 9.9-40.2 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 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-4.2 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HE3 LYS 13 - HG3 LYS 39 far 0 97 0 - 7.5-30.9 HE2 LYS 13 - HG3 LYS 39 far 0 97 0 - 8.9-30.2 HE3 LYS 73 - HG3 LYS 39 far 0 71 0 - 9.1-16.7 HE2 LYS 73 - HG3 LYS 39 far 0 73 0 - 9.3-18.0 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 6 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.7 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-4.2 3.6=100 HE3 LYS 13 - HG3 LYS 39 far 0 95 0 - 7.5-30.9 HE2 LYS 13 - HG3 LYS 39 far 0 96 0 - 8.9-30.2 HE3 LYS 73 - HG3 LYS 39 far 0 65 0 - 9.1-16.7 HE2 LYS 73 - HG3 LYS 39 far 0 68 0 - 9.3-18.0 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 36 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.0-4.6 1837/3.0=83, 1836/3.0=75...(49) HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.3-5.4 1837/3.0=83, 1836/3.0=75...(51) HA LYS 75 - HD3 LYS 73 poor 17 64 35 74 4.9-10.5 ~5849=16, ~2920=7...(44) HA LYS 75 - HD2 LYS 73 far 10 64 15 - 3.8-10.8 HA ASP 38 - HD2 LYS 39 far 9 60 15 - 5.1-8.7 HA ALA 77 - HD3 LYS 73 far 8 52 15 - 3.7-16.4 HA ALA 77 - HD2 LYS 73 far 5 52 10 - 4.6-16.8 HA THR 15 - HD2 LYS 39 far 5 100 5 - 4.4-29.2 HA THR 15 - HD3 LYS 39 far 5 100 5 - 5.8-27.5 HA THR 15 - HD2 LYS 32 far 3 65 5 - 3.6-29.2 HA ASP 38 - HD3 LYS 39 far 3 60 5 - 5.5-8.3 HA THR 15 - HD3 LYS 32 far 3 59 5 - 2.9-28.8 HA ALA 12 - HD3 LYS 32 far 3 57 5 - 5.4-28.7 HA ALA 12 - HD2 LYS 32 far 0 62 0 - 6.7-29.6 HB THR 37 - HD3 LYS 39 far 0 65 0 - 6.9-10.6 HA LYS 83 - HD2 LYS 73 far 0 63 0 - 7.0-24.3 HA ARG 17 - HD2 LYS 39 far 0 63 0 - 7.4-26.2 HA ASP 38 - HD3 LYS 73 far 0 32 0 - 7.6-12.1 HB THR 37 - HD2 LYS 39 far 0 65 0 - 7.6-10.8 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 7.7-24.3 HA GLU 19 - HD3 LYS 32 far 0 58 0 - 8.0-26.4 HB THR 37 - HD3 LYS 73 far 0 36 0 - 8.0-14.7 HA LYS 39 - HD2 LYS 73 far 0 65 0 - 8.1-14.3 HA LYS 83 - HD3 LYS 73 far 0 63 0 - 8.2-23.7 HA ASP 38 - HD2 LYS 73 far 0 32 0 - 8.2-12.0 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 8.3-24.5 HA ARG 17 - HD3 LYS 32 far 0 31 0 - 8.6-29.8 HA LYS 39 - HD3 LYS 73 far 0 65 0 - 8.7-15.1 HA GLU 19 - HD2 LYS 39 far 0 99 0 - 8.9-24.7 HA SER 60 - HD3 LYS 32 far 0 31 0 - 9.1-15.5 HA GLU 19 - HD2 LYS 32 far 0 63 0 - 9.3-26.5 HA ALA 12 - HD2 LYS 39 far 0 99 0 - 9.4-36.9 HA ARG 17 - HD3 LYS 73 far 0 34 0 - 9.4-32.3 HA ARG 17 - HD2 LYS 32 far 0 34 0 - 9.5-29.8 HB THR 37 - HD2 LYS 73 far 0 36 0 - 9.5-14.8 HA SER 60 - HD2 LYS 32 far 0 34 0 - 9.5-14.7 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 + HD2 LYS 39 OK 100 100 100 100 2.2-3.9 3.5=92, 2.9/1886=36...(62) HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-4.2 3.5=92, 2.9/1886=36...(63) HB2 LYS 75 - HD2 LYS 73 poor 6 58 35 31 3.7-11.4 1848=2, ~2982=2, ~2985=2...(14) HB2 LYS 75 - HD3 LYS 73 poor 6 58 35 30 2.3-11.3 3.0/1883=3, 1848=2...(11) HB2 ARG 17 - HD3 LYS 32 far 0 50 0 - 6.5-29.2 HB2 MET 11 - HD3 LYS 32 far 0 28 0 - 6.5-31.8 HB2 ARG 17 - HD2 LYS 39 far 0 92 0 - 6.6-25.8 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 6.8-9.9 HB2 ARG 17 - HD3 LYS 39 far 0 92 0 - 6.9-26.1 HB3 PRO 34 - HD2 LYS 32 far 0 49 0 - 7.0-11.7 HB2 ARG 71 - HD3 LYS 73 far 0 65 0 - 7.5-10.5 HB2 ARG 17 - HD2 LYS 32 far 0 55 0 - 7.5-29.4 HB3 ARG 71 - HD3 LYS 73 far 0 65 0 - 8.0-11.1 HB3 PRO 34 - HD3 LYS 32 far 0 45 0 - 8.0-11.7 HB2 MET 11 - HD2 LYS 32 far 0 31 0 - 8.0-31.8 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 8.2-11.3 HB3 ARG 71 - HD2 LYS 73 far 0 65 0 - 8.8-11.2 HB2 ARG 71 - HD2 LYS 73 far 0 65 0 - 8.9-10.8 HB2 ARG 66 - HD2 LYS 73 far 0 46 0 - 9.4-15.3 HB2 ARG 66 - HD3 LYS 73 far 0 46 0 - 9.4-15.2 Violated in 1 structures by 0.00 A. Peak 1885 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.12 A): 8 out of 39 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.1-3.8 3.5=69, 2.9/1886=31...(48) * HB3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.0-3.6 3.5=69, 2.9/1886=31...(48) HB3 LYS 32 + HD2 LYS 32 OK 60 61 100 98 2.0-3.9 3.5=72, 1581/1.8=16...(49) HB2 LYS 32 + HD2 LYS 32 OK 60 61 100 98 2.2-4.1 3.5=72, 1581/1.8=16...(49) HB3 LYS 73 + HD3 LYS 73 OK 60 64 100 93 2.3-3.9 3.5=68, 788/6.1=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 60 64 100 93 2.3-4.2 3.5=68, 788/6.1=13...(29) HB3 LYS 32 + HD3 LYS 32 OK 55 56 100 98 2.1-3.8 3.5=72, 1581/1.8=16...(49) HB2 LYS 32 + HD3 LYS 32 OK 55 56 100 98 2.3-4.1 3.5=72, 1581/1.8=16...(49) HB3 LYS 75 - HD2 LYS 73 poor 19 64 30 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 19 64 30 - 3.0-10.8 HB2 LYS 13 - HD2 LYS 39 far 5 99 5 - 4.2-31.9 HB2 LYS 13 - HD3 LYS 32 far 0 58 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 63 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 47 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 47 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 5.6-30.4 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 65 0 - 6.2-26.0 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 6.7-11.4 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 65 0 - 6.9-12.0 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 52 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 56 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 42 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 65 0 - 7.7-25.5 HB ILE 33 - HD3 LYS 32 far 0 51 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 8.3-12.1 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 38 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 52 0 - 8.5-23.0 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 8.7-13.3 HB3 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 53 0 - 9.7-13.8 HB2 ARG 69 - HD3 LYS 39 far 0 83 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 90 0 - 10.0-14.7 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 10 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 96 100 100 96 2.2-3.0 3.0=58, 1868/1.8=30...(42) * HG2 LYS 39 + HD2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=58, 1869/1.8=30...(40) HG2 ARG 82 - HD2 LYS 73 far 0 47 0 - 4.7-22.9 HG2 ARG 82 - HD3 LYS 73 far 0 47 0 - 6.3-22.1 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.0-12.6 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.8-12.5 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.0-12.9 HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 9.1-13.1 HG2 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.3-17.6 HG2 LYS 39 - HD3 LYS 73 far 0 65 0 - 9.9-18.3 Violated in 3 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 2.2-3.0 2.9=100 HG3 ARG 69 - HD2 LYS 73 poor 14 34 40 - 2.6-9.4 HG3 ARG 69 - HD3 LYS 73 poor 10 34 30 - 2.7-9.4 HG2 LYS 75 - HD3 LYS 73 far 8 55 15 - 3.4-12.9 HG2 LYS 75 - HD2 LYS 73 far 8 55 15 - 3.4-12.3 HG3 LYS 75 - HD2 LYS 73 far 8 55 15 - 4.1-11.8 HB3 ARG 69 - HD3 LYS 73 far 6 61 10 - 4.2-11.1 HG2 LYS 13 - HD2 LYS 39 far 4 85 5 - 4.1-34.3 HB3 ARG 69 - HD2 LYS 73 far 3 61 5 - 4.6-11.5 HG3 LYS 75 - HD3 LYS 73 far 3 55 5 - 4.2-12.2 QB ALA 78 - HD2 LYS 73 far 3 52 5 - 4.1-16.7 QB ALA 78 - HD3 LYS 73 far 3 52 5 - 4.2-16.1 HG2 LYS 13 - HD2 LYS 32 far 2 49 5 - 3.7-29.7 HG2 LYS 13 - HD3 LYS 32 far 2 45 5 - 3.3-29.1 QB ALA 77 - HD3 LYS 73 far 2 32 5 - 3.6-14.8 QB ALA 77 - HD2 LYS 73 far 2 32 5 - 4.8-15.2 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 5.2-32.6 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.8-16.8 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 8.1-17.8 HB3 ARG 69 - HD2 LYS 39 far 0 97 0 - 8.2-13.9 HB3 ARG 69 - HD3 LYS 39 far 0 97 0 - 8.3-13.7 HG3 LYS 39 - HD2 LYS 73 far 0 65 0 - 8.6-16.7 HG3 LYS 39 - HD3 LYS 73 far 0 65 0 - 9.0-17.4 QB ALA 53 - HD3 LYS 39 far 0 96 0 - 9.7-13.1 QB ALA 20 - HD3 LYS 73 far 0 36 0 - 9.9-20.6 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 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 38 38 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 8 54 15 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 6 55 10 - 2.9-31.6 HB3 TYR 81 - HD2 LYS 73 far 3 65 5 - 4.0-18.5 HE2 LYS 13 - HD2 LYS 32 far 3 61 5 - 4.4-32.2 HE3 LYS 13 - HD2 LYS 32 far 3 60 5 - 4.7-32.4 HE2 LYS 75 - HD2 LYS 73 far 3 53 5 - 4.6-12.8 HE3 LYS 75 - HD3 LYS 73 far 3 52 5 - 4.5-14.2 HE2 LYS 75 - HD3 LYS 73 far 0 53 0 - 5.5-13.9 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 52 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 6.2-30.9 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 97 0 - 7.6-30.1 HE3 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.9-18.2 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 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 39 39 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 35 35 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 34 34 100 100 2.2-3.0 3.0=100 HE3 LYS 13 - HD3 LYS 32 far 8 52 15 - 4.3-31.7 HE2 LYS 13 - HD3 LYS 32 far 5 53 10 - 2.9-31.6 HB3 TYR 81 - HD2 LYS 73 far 3 65 5 - 4.0-18.5 HE2 LYS 13 - HD2 LYS 32 far 3 58 5 - 4.4-32.2 HE3 LYS 13 - HD2 LYS 32 far 3 57 5 - 4.7-32.4 HE2 LYS 75 - HD2 LYS 73 far 3 50 5 - 4.6-12.8 HE3 LYS 75 - HD3 LYS 73 far 2 49 5 - 4.5-14.2 HE2 LYS 75 - HD3 LYS 73 far 0 50 0 - 5.5-13.9 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 49 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 95 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 94 0 - 6.2-30.9 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 96 0 - 7.6-30.1 HE3 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.9-18.2 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 31 assignments used, quality = 1.00: HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.0-4.6 1837/3.0=84, 1836/3.0=75...(49) * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.3-5.4 1837/3.0=84, 1836/3.0=75...(51) HA LYS 75 - HD3 LYS 73 poor 16 61 35 74 4.9-10.5 ~5849=17, ~2920=7...(43) HA LYS 75 - HD2 LYS 73 far 9 61 15 - 3.8-10.8 HA ASP 38 - HD2 LYS 39 far 9 60 15 - 5.1-8.7 HA ALA 77 - HD3 LYS 73 far 7 50 15 - 3.7-16.4 HA THR 15 - HD2 LYS 39 far 5 100 5 - 4.4-29.2 HA THR 15 - HD3 LYS 39 far 5 100 5 - 5.8-27.5 HA ALA 77 - HD2 LYS 73 far 5 50 10 - 4.6-16.8 HA THR 15 - HD2 LYS 32 far 3 62 5 - 3.6-29.2 HA ASP 38 - HD3 LYS 39 far 3 60 5 - 5.5-8.3 HA ALA 12 - HD2 LYS 32 far 0 60 0 - 6.7-29.6 HB THR 37 - HD3 LYS 39 far 0 65 0 - 6.9-10.6 HA LYS 83 - HD2 LYS 73 far 0 60 0 - 7.0-24.3 HA ARG 17 - HD2 LYS 39 far 0 63 0 - 7.4-26.2 HA ASP 38 - HD3 LYS 73 far 0 31 0 - 7.6-12.1 HB THR 37 - HD2 LYS 39 far 0 65 0 - 7.6-10.8 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 7.7-24.3 HB THR 37 - HD3 LYS 73 far 0 34 0 - 8.0-14.7 HA LYS 39 - HD2 LYS 73 far 0 63 0 - 8.1-14.3 HA LYS 83 - HD3 LYS 73 far 0 60 0 - 8.2-23.7 HA ASP 38 - HD2 LYS 73 far 0 31 0 - 8.2-12.0 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 8.3-24.5 HA LYS 39 - HD3 LYS 73 far 0 63 0 - 8.7-15.1 HA GLU 19 - HD2 LYS 39 far 0 99 0 - 8.9-24.7 HA GLU 19 - HD2 LYS 32 far 0 60 0 - 9.3-26.5 HA ALA 12 - HD2 LYS 39 far 0 99 0 - 9.4-36.9 HA ARG 17 - HD3 LYS 73 far 0 32 0 - 9.4-32.3 HA ARG 17 - HD2 LYS 32 far 0 32 0 - 9.5-29.8 HB THR 37 - HD2 LYS 73 far 0 34 0 - 9.5-14.8 HA SER 60 - HD2 LYS 32 far 0 32 0 - 9.5-14.7 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 2.2-3.9 3.5=100 HB2 LYS 75 - HD2 LYS 73 poor 8 56 40 37 3.7-11.4 1848=3, ~2982=2, ~2985=2...(18) HB2 LYS 75 - HD3 LYS 73 poor 8 56 40 36 2.3-11.3 3.0/1883=3, 1848=3...(17) HB2 ARG 17 - HD2 LYS 39 far 0 92 0 - 6.6-25.8 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 6.8-9.9 HB2 ARG 17 - HD3 LYS 39 far 0 92 0 - 6.9-26.1 HB3 PRO 34 - HD2 LYS 32 far 0 47 0 - 7.0-11.7 HB2 ARG 71 - HD3 LYS 73 far 0 63 0 - 7.5-10.5 HB2 ARG 17 - HD2 LYS 32 far 0 52 0 - 7.5-29.4 HB3 ARG 71 - HD3 LYS 73 far 0 63 0 - 8.0-11.1 HB2 MET 11 - HD2 LYS 32 far 0 29 0 - 8.0-31.8 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 8.2-11.3 HB3 ARG 71 - HD2 LYS 73 far 0 63 0 - 8.8-11.2 HB2 ARG 71 - HD2 LYS 73 far 0 63 0 - 8.9-10.8 HB2 ARG 66 - HD2 LYS 73 far 0 44 0 - 9.4-15.3 HB2 ARG 66 - HD3 LYS 73 far 0 44 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 1895 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.41 A): 6 out of 33 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.1-3.8 3.5=90, 2.9/1886=36...(49) HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.0-3.6 3.5=90, 2.9/1886=36...(49) HB3 LYS 73 + HD3 LYS 73 OK 61 62 100 98 2.3-3.9 3.5=89, 788/6.1=17...(30) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.3-4.2 3.5=89, 788/6.1=17...(30) HB3 LYS 32 + HD2 LYS 32 OK 59 59 100 100 2.0-3.9 3.5=94, ~1558=18...(49) HB2 LYS 32 + HD2 LYS 32 OK 59 59 100 100 2.2-4.1 3.5=94, ~1558=18...(49) HB3 LYS 75 - HD2 LYS 73 poor 18 62 30 - 2.2-11.1 HB3 LYS 75 - HD3 LYS 73 poor 8 62 40 32 3.0-10.8 2982/2.9=3, 3.0/1883=3...(10) HB2 LYS 13 - HD2 LYS 39 far 5 99 5 - 4.2-31.9 HB2 LYS 13 - HD2 LYS 32 far 0 60 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 45 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 45 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 5.6-30.4 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 63 0 - 6.2-26.0 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 6.7-11.4 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 62 0 - 6.9-12.0 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 50 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 54 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 40 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 63 0 - 7.7-25.5 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 8.2-11.5 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.5-11.5 HB3 ARG 82 - HD3 LYS 73 far 0 50 0 - 8.5-23.0 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 8.7-13.3 HB3 LYS 39 - HD2 LYS 73 far 0 63 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 51 0 - 9.7-13.8 HB2 ARG 69 - HD3 LYS 39 far 0 83 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 90 0 - 10.0-14.7 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 10 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 97 100 100 97 2.2-3.0 3.0=61, 1868/1.8=31...(43) HG2 LYS 39 + HD2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=61, 1869/1.8=31...(41) HG2 ARG 82 - HD2 LYS 73 far 0 45 0 - 4.7-22.9 HG2 ARG 82 - HD3 LYS 73 far 0 45 0 - 6.3-22.1 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.0-12.6 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.8-12.5 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.0-12.9 HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 9.1-13.1 HG2 LYS 39 - HD2 LYS 73 far 0 63 0 - 9.3-17.6 HG2 LYS 39 - HD3 LYS 73 far 0 63 0 - 9.9-18.3 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 2.2-3.0 2.9=100 HG3 ARG 69 - HD2 LYS 73 poor 13 32 40 - 2.6-9.4 HG3 ARG 69 - HD3 LYS 73 poor 11 32 35 - 2.7-9.4 HG2 LYS 75 - HD3 LYS 73 poor 10 52 20 - 3.4-12.9 HG2 LYS 75 - HD2 LYS 73 poor 10 52 20 - 3.4-12.3 HG3 LYS 75 - HD2 LYS 73 far 8 52 15 - 4.1-11.8 HB3 ARG 69 - HD3 LYS 73 far 6 58 10 - 4.2-11.1 HG2 LYS 13 - HD2 LYS 39 far 4 85 5 - 4.1-34.3 HB3 ARG 69 - HD2 LYS 73 far 3 58 5 - 4.6-11.5 HG3 LYS 75 - HD3 LYS 73 far 3 52 5 - 4.2-12.2 QB ALA 78 - HD2 LYS 73 far 2 50 5 - 4.1-16.7 QB ALA 78 - HD3 LYS 73 far 2 50 5 - 4.2-16.1 HG2 LYS 13 - HD2 LYS 32 far 2 47 5 - 3.7-29.7 QB ALA 77 - HD3 LYS 73 far 2 31 5 - 3.6-14.8 QB ALA 77 - HD2 LYS 73 far 2 31 5 - 4.8-15.2 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 5.2-32.6 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.8-16.8 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 8.1-17.8 HB3 ARG 69 - HD2 LYS 39 far 0 97 0 - 8.2-13.9 HB3 ARG 69 - HD3 LYS 39 far 0 97 0 - 8.3-13.7 HG3 LYS 39 - HD2 LYS 73 far 0 63 0 - 8.6-16.7 HG3 LYS 39 - HD3 LYS 73 far 0 63 0 - 9.0-17.4 QB ALA 53 - HD3 LYS 39 far 0 96 0 - 9.7-13.1 QB ALA 20 - HD3 LYS 73 far 0 34 0 - 9.9-20.6 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 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 40 40 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HB3 TYR 81 - HD2 LYS 73 far 3 63 5 - 4.0-18.5 HE2 LYS 13 - HD2 LYS 32 far 3 58 5 - 4.4-32.2 HE3 LYS 13 - HD2 LYS 32 far 3 57 5 - 4.7-32.4 HE2 LYS 75 - HD2 LYS 73 far 3 51 5 - 4.6-12.8 HE3 LYS 75 - HD3 LYS 73 far 2 50 5 - 4.5-14.2 HE2 LYS 75 - HD3 LYS 73 far 0 51 0 - 5.5-13.9 HB3 TYR 81 - HD3 LYS 73 far 0 63 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 50 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 6.2-30.9 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 97 0 - 7.6-30.1 HE3 LYS 39 - HD2 LYS 73 far 0 63 0 - 9.9-18.2 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 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 37 37 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 34 34 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.4-3.0 3.0=100 HB3 TYR 81 - HD2 LYS 73 far 3 63 5 - 4.0-18.5 HE2 LYS 13 - HD2 LYS 32 far 3 56 5 - 4.4-32.2 HE3 LYS 13 - HD2 LYS 32 far 3 55 5 - 4.7-32.4 HE2 LYS 75 - HD2 LYS 73 far 2 48 5 - 4.6-12.8 HE3 LYS 75 - HD3 LYS 73 far 2 47 5 - 4.5-14.2 HE2 LYS 75 - HD3 LYS 73 far 0 48 0 - 5.5-13.9 HB3 TYR 81 - HD3 LYS 73 far 0 63 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 47 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 94 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 95 0 - 6.2-30.9 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 96 0 - 7.6-30.1 HE3 LYS 39 - HD2 LYS 73 far 0 63 0 - 9.9-18.2 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 57 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.7-5.5 4.7=70, 2.9/1906=37...(53) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-5.5 4.7=70, 2.9/1906=37...(53) HB2 LYS 75 + HE2 LYS 75 OK 82 83 100 100 2.2-5.1 5.0=59, 3118/2.9=35...(39) HB2 LYS 75 + HE3 LYS 75 OK 81 81 100 100 2.2-5.0 5.0=59, 3118/2.9=35...(39) HB2 MET 11 - HE3 LYS 13 poor 10 49 20 - 4.9-12.0 HB3 ARG 71 - HE2 LYS 75 far 9 90 10 - 4.3-16.4 HB2 ARG 71 - HE2 LYS 75 far 9 90 10 - 4.0-16.5 HB3 ARG 71 - HE3 LYS 75 far 9 89 10 - 4.3-15.7 HB2 ARG 71 - HE3 LYS 75 far 9 88 10 - 3.9-16.0 HB2 ARG 23 - HE2 LYS 75 far 9 87 10 - 2.8-25.3 HB2 ARG 23 - HE3 LYS 75 far 9 85 10 - 3.0-23.9 HB2 LYS 75 - HE3 LYS 73 poor 8 63 40 32 2.4-10.9 2922/3.0=3, 1894/3.0=3...(18) HB2 LYS 75 - HE2 LYS 73 poor 7 66 35 31 2.8-12.1 2922/3.0=3, 1894/3.0=3...(14) HB3 ARG 23 - HE2 LYS 75 far 4 88 5 - 4.3-24.1 HB3 ARG 23 - HE3 LYS 75 far 4 86 5 - 4.6-24.5 HB2 ARG 17 - HE2 LYS 32 far 3 62 5 - 5.0-29.8 HB3 PRO 34 - HE3 LYS 32 far 3 58 5 - 5.4-12.2 HB2 MET 11 - HE2 LYS 13 far 2 50 5 - 3.9-12.4 HB2 MET 11 - HE2 LYS 32 far 2 35 5 - 5.4-31.8 HB3 ARG 26 - HE3 LYS 13 far 0 59 0 - 5.7-28.0 HB2 ARG 17 - HE2 LYS 13 far 0 83 0 - 5.8-18.1 HB3 PRO 34 - HE2 LYS 32 far 0 56 0 - 5.9-12.3 HB3 ARG 26 - HE2 LYS 13 far 0 60 0 - 5.9-28.2 HB2 ARG 27 - HE2 LYS 75 far 0 90 0 - 6.3-24.0 HB2 ARG 17 - HE3 LYS 32 far 0 64 0 - 6.4-30.9 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.6-12.0 HB2 MET 11 - HE3 LYS 32 far 0 37 0 - 6.6-31.5 HB2 ARG 26 - HE3 LYS 75 far 0 57 0 - 6.8-27.0 HB2 ARG 17 - HE3 LYS 39 far 0 92 0 - 7.0-28.3 HB3 ARG 27 - HE2 LYS 75 far 0 90 0 - 7.3-24.5 HB2 ARG 26 - HE3 LYS 13 far 0 61 0 - 7.3-27.3 HB2 ARG 17 - HE3 LYS 13 far 0 82 0 - 7.4-17.9 HB2 ARG 26 - HE2 LYS 75 far 0 58 0 - 7.5-27.6 HB2 ARG 27 - HE3 LYS 75 far 0 88 0 - 7.6-23.8 HB2 ARG 26 - HE2 LYS 13 far 0 62 0 - 7.6-28.1 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 7.8-11.7 HB2 LYS 39 - HE3 LYS 13 far 0 94 0 - 7.9-29.1 HB2 ARG 17 - HE2 LYS 39 far 0 92 0 - 8.4-26.9 HB3 ARG 26 - HE3 LYS 75 far 0 54 0 - 8.6-28.0 HB3 ARG 27 - HE3 LYS 75 far 0 89 0 - 8.7-24.6 HB2 ARG 71 - HE2 LYS 73 far 0 73 0 - 8.8-12.4 HB2 ARG 66 - HE2 LYS 73 far 0 52 0 - 8.8-16.6 HB2 LYS 39 - HE2 LYS 13 far 0 95 0 - 8.9-30.7 HB3 ARG 27 - HE3 LYS 13 far 0 94 0 - 9.1-27.7 HB3 PRO 34 - HE3 LYS 13 far 0 75 0 - 9.2-31.2 HB3 ARG 26 - HE2 LYS 75 far 0 56 0 - 9.2-29.2 HB2 ARG 27 - HE3 LYS 13 far 0 93 0 - 9.3-28.4 HB3 ARG 71 - HE2 LYS 73 far 0 73 0 - 9.4-12.5 HB2 ARG 27 - HE2 LYS 13 far 0 94 0 - 9.4-29.6 HB3 ARG 27 - HE2 LYS 13 far 0 95 0 - 9.5-28.7 HB2 ARG 66 - HE3 LYS 75 far 0 65 0 - 9.6-20.2 HB2 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.6-16.0 HB2 ARG 71 - HE3 LYS 73 far 0 71 0 - 9.7-11.7 HB2 ARG 66 - HE3 LYS 73 far 0 50 0 - 9.8-15.4 HB3 ARG 71 - HE3 LYS 73 far 0 71 0 - 9.8-12.3 HB3 ARG 26 - HE3 LYS 32 far 0 44 0 - 9.9-15.1 HB2 ARG 26 - HE3 LYS 32 far 0 46 0 - 9.9-16.1 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 58 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.4-5.0 4.7=51, 2.9/1906=31...(41) HB3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 1.9-5.0 4.7=51, 2.9/1906=31...(41) HB2 LYS 13 + HE3 LYS 13 OK 89 91 100 97 2.1-4.8 5.2=37, 1002/2.9=18...(37) HB2 LYS 13 + HE2 LYS 13 OK 86 92 95 98 2.2-5.4 5.2=37, 1002/2.9=18...(37) HB3 LYS 75 + HE3 LYS 75 OK 86 87 100 98 2.4-4.7 5.0=43, ~3128=19...(36) HB3 LYS 75 + HE2 LYS 75 OK 78 89 90 98 3.2-5.4 5.0=43, ~3128=19...(36) HB3 LYS 32 + HE3 LYS 32 OK 71 72 100 99 2.4-4.6 4.6=55, ~1628=18...(43) HB2 LYS 32 + HE3 LYS 32 OK 71 72 100 99 2.5-4.7 4.6=55, ~1628=18...(43) HB3 LYS 32 + HE2 LYS 32 OK 68 69 100 99 2.0-4.8 4.6=55, ~1638=18...(43) HB3 LYS 73 + HE3 LYS 73 OK 67 70 100 96 3.1-5.1 4.7=51, ~3020=19...(30) HB2 LYS 32 + HE2 LYS 32 OK 65 69 95 99 2.0-5.3 4.6=55, ~1638=18...(43) HB3 LYS 73 + HE2 LYS 73 OK 59 72 85 96 2.6-5.4 4.7=51, ~3020=19...(30) HB3 LYS 75 - HE3 LYS 73 poor 14 70 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 7 72 30 34 2.3-11.0 2982/3.7=3, 2984/3.0=3...(24) HB2 LYS 13 - HE2 LYS 39 far 5 99 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 39 far 5 99 5 - 4.6-32.3 HB2 LYS 13 - HE3 LYS 32 far 4 73 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 4 71 5 - 4.8-30.7 HB2 ARG 69 - HE2 LYS 73 far 3 54 5 - 4.9-12.3 HB3 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 75 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 87 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 73 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 89 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 89 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 48 0 - 6.4-12.4 HB2 ARG 69 - HE3 LYS 73 far 0 52 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 50 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 88 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 73 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 59 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 7.2-12.1 HB3 LYS 39 - HE3 LYS 13 far 0 94 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 71 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 57 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 79 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 66 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 63 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 68 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 84 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 95 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 85 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 60 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 80 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 69 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 83 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 63 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 83 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 90 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.7-16.0 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 19 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.9 3.6=95, 1886/3.0=37...(57) HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.9 3.6=95, 1886/3.0=37...(57) HG3 ARG 23 - HE2 LYS 75 far 4 88 5 - 3.2-26.5 HG3 ARG 23 - HE3 LYS 75 far 4 86 5 - 4.4-25.7 HG2 ARG 82 - HE2 LYS 73 far 0 54 0 - 5.5-23.0 HG2 ARG 82 - HE3 LYS 73 far 0 52 0 - 5.7-22.6 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 6.6-13.5 HB3 ARG 54 - HE3 LYS 13 far 0 94 0 - 6.7-34.9 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 7.5-13.2 HG2 LYS 39 - HE3 LYS 13 far 0 94 0 - 8.1-30.8 HB3 ARG 54 - HE2 LYS 13 far 0 95 0 - 8.1-35.4 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 54 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 8.7-12.7 HG LEU 64 - HE2 LYS 75 far 0 87 0 - 9.0-22.8 HG2 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.5-30.1 HG LEU 64 - HE2 LYS 32 far 0 70 0 - 9.5-14.1 HG LEU 64 - HE3 LYS 75 far 0 85 0 - 9.5-22.6 HG3 ARG 54 - HE2 LYS 13 far 0 55 0 - 9.9-37.2 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 52 assignments used, quality = 1.00: HG3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.0-3.7 3.6=64, 1.8/1906=28...(59) * HG3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.1-4.2 3.6=64, 1.8/1906=28...(57) HG3 LYS 75 + HE2 LYS 75 OK 76 78 100 97 2.0-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 75 + HE2 LYS 75 OK 76 78 100 97 2.2-3.8 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 75 + HE3 LYS 75 OK 74 77 100 97 2.1-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE3 LYS 75 OK 74 77 100 97 2.2-3.7 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 13 + HE2 LYS 13 OK 73 76 100 97 2.5-4.2 3.8=53, 1043/2.9=19...(55) HG2 LYS 13 + HE3 LYS 13 OK 72 75 100 97 2.2-4.2 3.8=53, 1043/2.9=19...(55) HG3 LYS 73 + HE2 LYS 73 OK 53 59 100 91 2.0-4.0 3.7=58, 2963/6.1=8...(49) HG3 LYS 73 + HE3 LYS 73 OK 51 57 100 90 2.0-4.2 3.7=58, 2963/6.1=8...(49) HG2 LYS 75 - HE3 LYS 73 far 9 60 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 7 73 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 6 62 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 6 60 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 5 53 10 - 3.7-25.8 HG2 LYS 13 - HE2 LYS 39 far 4 85 5 - 3.8-32.4 HG3 ARG 69 - HE2 LYS 73 far 4 39 10 - 2.0-10.8 HG3 LYS 73 - HE2 LYS 75 far 4 75 5 - 4.2-13.1 HG3 ARG 69 - HE3 LYS 73 far 4 37 10 - 3.8-10.2 HB3 ARG 69 - HE2 LYS 73 far 3 68 5 - 3.9-12.2 HG2 LYS 75 - HE2 LYS 73 far 3 62 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 3 59 5 - 3.9-17.1 HG2 LYS 13 - HE2 LYS 32 far 3 56 5 - 4.4-29.4 QB ALA 20 - HE3 LYS 75 far 3 52 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 2 37 5 - 4.1-15.3 HG2 LYS 13 - HE3 LYS 39 far 0 85 0 - 4.8-34.1 QB ALA 78 - HE3 LYS 73 far 0 57 0 - 4.9-15.7 QB ALA 77 - HE3 LYS 73 far 0 35 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 66 0 - 5.5-11.5 HG2 LYS 13 - HE3 LYS 32 far 0 58 0 - 5.6-30.5 QB ALA 77 - HE3 LYS 75 far 0 47 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 49 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 50 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 75 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 73 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 56 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 94 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 51 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 57 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 85 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 83 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 95 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 63 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 96 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 71 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 73 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 95 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 9.5-18.2 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 40 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 38 38 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 37 37 100 100 2.2-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 poor 18 90 35 56 4.4-9.5 3.1/6088=14, 3.1/4948=11...(12) HB3 LEU 29 - HE2 LYS 13 far 14 94 15 - 3.4-30.8 HD3 LYS 32 - HE3 LYS 13 far 8 51 15 - 4.3-31.7 HD3 LYS 32 - HE2 LYS 13 far 5 52 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 5 90 5 - 4.3-8.7 HD2 LYS 32 - HE2 LYS 13 far 3 57 5 - 4.4-32.2 HD2 LYS 73 - HE2 LYS 75 far 3 53 5 - 4.6-12.8 HD3 LYS 73 - HE3 LYS 75 far 3 52 5 - 4.5-14.2 HB3 LEU 29 - HE3 LYS 13 lone 0 93 30 0 4.0-30.9 HD2 LYS 32 - HE3 LYS 13 far 0 56 0 - 4.7-32.4 HB3 LEU 29 - HE3 LYS 32 far 0 75 0 - 4.7-11.1 HD3 LYS 73 - HE2 LYS 75 far 0 53 0 - 5.5-13.9 HD2 LYS 73 - HE3 LYS 75 far 0 52 0 - 5.5-13.0 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 5.6-11.6 HG3 ARG 70 - HE2 LYS 73 far 0 37 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 5.7-30.5 HG3 ARG 70 - HE3 LYS 73 far 0 35 0 - 6.1-11.9 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 6.2-30.9 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 6.8-30.7 HD3 LYS 39 - HE2 LYS 13 far 0 95 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 47 0 - 7.8-17.0 HG3 ARG 70 - HE2 LYS 75 far 0 49 0 - 8.0-16.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 91 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.7-12.7 HB3 LEU 51 - HE3 LYS 13 far 0 80 0 - 8.8-31.8 HG3 ARG 54 - HE2 LYS 13 far 0 92 0 - 9.9-37.2 HD2 LYS 73 - HE3 LYS 39 far 0 65 0 - 9.9-18.2 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 32 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 40 40 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 37 37 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 poor 17 88 35 56 4.4-9.5 3.1/6088=14, 3.1/4948=11...(12) HB3 LEU 29 - HE2 LYS 13 far 14 94 15 - 3.4-30.8 HB3 LEU 51 - HE2 LYS 39 far 4 89 5 - 4.3-8.7 HD2 LYS 32 - HE2 LYS 13 far 3 55 5 - 4.4-32.2 HD2 LYS 73 - HE2 LYS 75 far 3 51 5 - 4.6-12.8 HD3 LYS 73 - HE3 LYS 75 far 2 50 5 - 4.5-14.2 HB3 LEU 29 - HE3 LYS 13 lone 0 93 30 0 4.0-30.9 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 4.7-32.4 HB3 LEU 29 - HE3 LYS 32 far 0 76 0 - 4.7-11.1 HD3 LYS 73 - HE2 LYS 75 far 0 51 0 - 5.5-13.9 HD2 LYS 73 - HE3 LYS 75 far 0 50 0 - 5.5-13.0 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 5.6-11.6 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 5.7-30.5 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 6.2-30.9 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 6.8-30.7 HD3 LYS 39 - HE2 LYS 13 far 0 95 0 - 7.6-30.1 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 92 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.7-12.7 HB3 LEU 51 - HE3 LYS 13 far 0 79 0 - 8.8-31.8 HG3 ARG 54 - HE2 LYS 13 far 0 93 0 - 9.9-37.2 HD2 LYS 73 - HE3 LYS 39 far 0 63 0 - 9.9-18.2 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 57 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-5.5 4.7=70, 2.9/1916=37...(53) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.7-5.5 4.7=70, 2.9/1916=37...(53) HB2 LYS 75 + HE2 LYS 75 OK 79 79 100 100 2.2-5.1 5.0=59, 3118/2.9=35...(39) HB2 LYS 75 + HE3 LYS 75 OK 77 77 100 100 2.2-5.0 5.0=59, 3118/2.9=35...(39) HB2 MET 11 - HE3 LYS 13 poor 9 47 20 - 4.9-12.0 HB3 ARG 71 - HE2 LYS 75 far 9 87 10 - 4.3-16.4 HB2 ARG 71 - HE2 LYS 75 far 9 87 10 - 4.0-16.5 HB3 ARG 71 - HE3 LYS 75 far 8 85 10 - 4.3-15.7 HB2 ARG 71 - HE3 LYS 75 far 8 85 10 - 3.9-16.0 HB2 ARG 23 - HE2 LYS 75 far 8 83 10 - 2.8-25.3 HB2 ARG 23 - HE3 LYS 75 far 8 81 10 - 3.0-23.9 HB2 LYS 75 - HE3 LYS 73 poor 8 58 40 32 2.4-10.9 2922/3.0=3, 1894/3.0=3...(18) HB2 LYS 75 - HE2 LYS 73 poor 7 61 35 31 2.8-12.1 2922/3.0=3, 1894/3.0=3...(14) HB3 ARG 23 - HE2 LYS 75 far 4 84 5 - 4.3-24.1 HB3 ARG 23 - HE3 LYS 75 far 4 82 5 - 4.6-24.5 HB2 ARG 17 - HE2 LYS 32 far 3 57 5 - 5.0-29.8 HB3 PRO 34 - HE3 LYS 32 far 3 53 5 - 5.4-12.2 HB2 MET 11 - HE2 LYS 13 far 2 48 5 - 3.9-12.4 HB2 MET 11 - HE2 LYS 32 far 2 32 5 - 5.4-31.8 HB3 ARG 26 - HE3 LYS 13 far 0 57 0 - 5.7-28.0 HB2 ARG 17 - HE2 LYS 13 far 0 81 0 - 5.8-18.1 HB3 PRO 34 - HE2 LYS 32 far 0 51 0 - 5.9-12.3 HB3 ARG 26 - HE2 LYS 13 far 0 58 0 - 5.9-28.2 HB2 ARG 27 - HE2 LYS 75 far 0 87 0 - 6.3-24.0 HB2 ARG 17 - HE3 LYS 32 far 0 60 0 - 6.4-30.9 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.6-12.0 HB2 MET 11 - HE3 LYS 32 far 0 34 0 - 6.6-31.5 HB2 ARG 26 - HE3 LYS 75 far 0 53 0 - 6.8-27.0 HB2 ARG 17 - HE3 LYS 39 far 0 92 0 - 7.0-28.3 HB3 ARG 27 - HE2 LYS 75 far 0 87 0 - 7.3-24.5 HB2 ARG 26 - HE3 LYS 13 far 0 59 0 - 7.3-27.3 HB2 ARG 17 - HE3 LYS 13 far 0 79 0 - 7.4-17.9 HB2 ARG 26 - HE2 LYS 75 far 0 55 0 - 7.5-27.6 HB2 ARG 27 - HE3 LYS 75 far 0 85 0 - 7.6-23.8 HB2 ARG 26 - HE2 LYS 13 far 0 60 0 - 7.6-28.1 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 7.8-11.7 HB2 LYS 39 - HE3 LYS 13 far 0 91 0 - 7.9-29.1 HB2 ARG 17 - HE2 LYS 39 far 0 92 0 - 8.4-26.9 HB3 ARG 26 - HE3 LYS 75 far 0 51 0 - 8.6-28.0 HB3 ARG 27 - HE3 LYS 75 far 0 85 0 - 8.7-24.6 HB2 ARG 71 - HE2 LYS 73 far 0 68 0 - 8.8-12.4 HB2 ARG 66 - HE2 LYS 73 far 0 48 0 - 8.8-16.6 HB2 LYS 39 - HE2 LYS 13 far 0 93 0 - 8.9-30.7 HB3 ARG 27 - HE3 LYS 13 far 0 91 0 - 9.1-27.7 HB3 PRO 34 - HE3 LYS 13 far 0 72 0 - 9.2-31.2 HB3 ARG 26 - HE2 LYS 75 far 0 53 0 - 9.2-29.2 HB2 ARG 27 - HE3 LYS 13 far 0 91 0 - 9.3-28.4 HB3 ARG 71 - HE2 LYS 73 far 0 68 0 - 9.4-12.5 HB2 ARG 27 - HE2 LYS 13 far 0 92 0 - 9.4-29.6 HB3 ARG 27 - HE2 LYS 13 far 0 92 0 - 9.5-28.7 HB2 ARG 66 - HE3 LYS 75 far 0 62 0 - 9.6-20.2 HB2 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.6-16.0 HB2 ARG 71 - HE3 LYS 73 far 0 65 0 - 9.7-11.7 HB2 ARG 66 - HE3 LYS 73 far 0 46 0 - 9.8-15.4 HB3 ARG 71 - HE3 LYS 73 far 0 65 0 - 9.8-12.3 HB3 ARG 26 - HE3 LYS 32 far 0 41 0 - 9.9-15.1 HB2 ARG 26 - HE3 LYS 32 far 0 43 0 - 9.9-16.1 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 58 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.4-5.0 4.7=51, 2.9/1916=31...(41) * HB3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 1.9-5.0 4.7=51, 2.9/1916=31...(41) HB2 LYS 13 + HE3 LYS 13 OK 86 89 100 97 2.1-4.8 5.2=37, 1002/2.9=18...(37) HB2 LYS 13 + HE2 LYS 13 OK 84 90 95 98 2.2-5.4 5.2=37, 1002/2.9=18...(37) HB3 LYS 75 + HE3 LYS 75 OK 82 84 100 98 2.4-4.7 5.0=43, ~3128=19...(36) HB3 LYS 75 + HE2 LYS 75 OK 75 86 90 98 3.2-5.4 5.0=43, ~3128=19...(36) HB3 LYS 32 + HE3 LYS 32 OK 66 67 100 99 2.4-4.6 4.6=55, ~1628=18...(43) HB2 LYS 32 + HE3 LYS 32 OK 66 67 100 99 2.5-4.7 4.6=55, ~1628=18...(43) HB3 LYS 32 + HE2 LYS 32 OK 63 64 100 99 2.0-4.8 4.6=55, ~1638=18...(43) HB3 LYS 73 + HE3 LYS 73 OK 61 64 100 96 3.1-5.1 4.7=51, ~3020=19...(30) HB2 LYS 32 + HE2 LYS 32 OK 60 64 95 99 2.0-5.3 4.6=55, ~1638=18...(43) HB3 LYS 73 + HE2 LYS 73 OK 54 67 85 96 2.6-5.4 4.7=51, ~3020=19...(30) HB3 LYS 75 - HE3 LYS 73 poor 13 64 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 7 67 30 33 2.3-11.0 2982/3.7=3, 2984/3.0=3...(24) HB2 LYS 13 - HE3 LYS 39 far 5 99 5 - 4.6-32.3 HB2 LYS 13 - HE2 LYS 39 far 5 99 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 32 far 3 68 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 3 66 5 - 4.8-30.7 HB2 ARG 69 - HE2 LYS 73 far 2 50 5 - 4.9-12.3 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 87 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 70 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 84 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 68 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 88 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 86 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 87 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 44 0 - 6.4-12.4 HB2 ARG 69 - HE3 LYS 73 far 0 47 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 46 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 89 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 68 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 54 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 7.2-12.1 HB3 LYS 39 - HE3 LYS 13 far 0 91 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 65 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 52 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 76 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 61 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 59 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 64 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 93 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 82 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 56 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 77 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 66 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 83 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 58 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 83 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 90 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.7-16.0 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 19 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.9 3.6=95, 1886/3.0=37...(57) HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.9 3.6=95, 1886/3.0=37...(57) HG3 ARG 23 - HE2 LYS 75 far 4 84 5 - 3.2-26.5 HG3 ARG 23 - HE3 LYS 75 far 4 82 5 - 4.4-25.7 HG2 ARG 82 - HE2 LYS 73 far 0 50 0 - 5.5-23.0 HG2 ARG 82 - HE3 LYS 73 far 0 47 0 - 5.7-22.6 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 6.6-13.5 HB3 ARG 54 - HE3 LYS 13 far 0 91 0 - 6.7-34.9 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 7.5-13.2 HG2 LYS 39 - HE3 LYS 13 far 0 91 0 - 8.1-30.8 HB3 ARG 54 - HE2 LYS 13 far 0 93 0 - 8.1-35.4 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 52 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 8.7-12.7 HG LEU 64 - HE2 LYS 75 far 0 83 0 - 9.0-22.8 HG2 LYS 39 - HE2 LYS 13 far 0 93 0 - 9.5-30.1 HG LEU 64 - HE2 LYS 32 far 0 65 0 - 9.5-14.1 HG LEU 64 - HE3 LYS 75 far 0 81 0 - 9.5-22.6 HG3 ARG 54 - HE2 LYS 13 far 0 53 0 - 9.9-37.2 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 52 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.0-3.7 3.6=64, 1.8/1916=28...(59) HG3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.1-4.2 3.6=64, 1.8/1916=28...(57) HG3 LYS 75 + HE2 LYS 75 OK 72 75 100 97 2.0-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 75 + HE2 LYS 75 OK 72 75 100 97 2.2-3.8 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 13 + HE2 LYS 13 OK 71 74 100 97 2.5-4.2 3.8=53, 1043/2.9=19...(55) HG2 LYS 75 + HE3 LYS 75 OK 70 73 100 97 2.1-4.2 3.5=69, ~3128=8, ~3118=8...(62) HG3 LYS 75 + HE3 LYS 75 OK 70 73 100 97 2.2-3.7 3.5=69, ~3128=8, ~3118=8...(62) HG2 LYS 13 + HE3 LYS 13 OK 70 72 100 97 2.2-4.2 3.8=53, 1043/2.9=19...(55) HG3 LYS 73 + HE2 LYS 73 OK 49 54 100 90 2.0-4.0 3.7=58, 2963/6.1=8...(49) HG3 LYS 73 + HE3 LYS 73 OK 47 52 100 90 2.0-4.2 3.7=58, 2963/6.1=8...(49) HG2 LYS 75 - HE3 LYS 73 far 8 55 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 7 70 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 6 57 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 5 55 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 5 50 10 - 3.7-25.8 HG2 LYS 13 - HE2 LYS 39 far 4 85 5 - 3.8-32.4 HG3 ARG 69 - HE2 LYS 73 far 4 36 10 - 2.0-10.8 HG3 LYS 73 - HE2 LYS 75 far 4 71 5 - 4.2-13.1 HG3 ARG 69 - HE3 LYS 73 far 3 34 10 - 3.8-10.2 HB3 ARG 69 - HE2 LYS 73 far 3 63 5 - 3.9-12.2 HG2 LYS 75 - HE2 LYS 73 far 3 57 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 3 54 5 - 3.9-17.1 HG2 LYS 13 - HE2 LYS 32 far 3 51 5 - 4.4-29.4 QB ALA 20 - HE3 LYS 75 far 2 49 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 2 34 5 - 4.1-15.3 HG2 LYS 13 - HE3 LYS 39 far 0 85 0 - 4.8-34.1 QB ALA 78 - HE3 LYS 73 far 0 52 0 - 4.9-15.7 QB ALA 77 - HE3 LYS 73 far 0 32 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 61 0 - 5.5-11.5 HG2 LYS 13 - HE3 LYS 32 far 0 53 0 - 5.6-30.5 QB ALA 77 - HE3 LYS 75 far 0 45 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 46 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 47 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 71 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 70 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 54 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 91 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 48 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 55 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 82 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 80 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 93 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 63 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 95 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 65 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 68 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 96 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 9.5-18.2 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 40 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 39 39 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 35 35 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 34 34 100 100 2.2-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 poor 18 90 35 56 4.4-9.5 3.1/6088=14, 3.1/4948=11...(12) HB3 LEU 29 - HE2 LYS 13 far 14 92 15 - 3.4-30.8 HD3 LYS 32 - HE3 LYS 13 far 7 49 15 - 4.3-31.7 HD3 LYS 32 - HE2 LYS 13 far 5 50 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 5 90 5 - 4.3-8.7 HD2 LYS 32 - HE2 LYS 13 far 3 55 5 - 4.4-32.2 HD2 LYS 73 - HE2 LYS 75 far 3 50 5 - 4.6-12.8 HD3 LYS 73 - HE3 LYS 75 far 2 49 5 - 4.5-14.2 HB3 LEU 29 - HE3 LYS 13 lone 0 91 30 0 4.0-30.9 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 4.7-32.4 HB3 LEU 29 - HE3 LYS 32 far 0 70 0 - 4.7-11.1 HD3 LYS 73 - HE2 LYS 75 far 0 50 0 - 5.5-13.9 HD2 LYS 73 - HE3 LYS 75 far 0 49 0 - 5.5-13.0 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 5.6-11.6 HG3 ARG 70 - HE2 LYS 73 far 0 34 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 5.7-30.5 HG3 ARG 70 - HE3 LYS 73 far 0 32 0 - 6.1-11.9 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 6.2-30.9 HD2 LYS 39 - HE2 LYS 13 far 0 93 0 - 6.8-30.7 HD3 LYS 39 - HE2 LYS 13 far 0 92 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 45 0 - 7.8-17.0 HG3 ARG 70 - HE2 LYS 75 far 0 46 0 - 8.0-16.9 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 89 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.7-12.7 HB3 LEU 51 - HE3 LYS 13 far 0 78 0 - 8.8-31.8 HG3 ARG 54 - HE2 LYS 13 far 0 90 0 - 9.9-37.2 HD2 LYS 73 - HE3 LYS 39 far 0 65 0 - 9.9-18.2 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 32 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 37 37 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 34 34 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 34 34 100 100 2.4-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 poor 17 89 35 56 4.4-9.5 3.1/6088=14, 3.1/4948=11...(12) HB3 LEU 29 - HE2 LYS 13 far 14 92 15 - 3.4-30.8 HB3 LEU 51 - HE2 LYS 39 far 4 88 5 - 4.3-8.7 HD2 LYS 32 - HE2 LYS 13 far 3 53 5 - 4.4-32.2 HD2 LYS 73 - HE2 LYS 75 far 2 48 5 - 4.6-12.8 HD3 LYS 73 - HE3 LYS 75 far 2 47 5 - 4.5-14.2 HB3 LEU 29 - HE3 LYS 13 lone 0 91 30 0 4.0-30.9 HD2 LYS 32 - HE3 LYS 13 far 0 52 0 - 4.7-32.4 HB3 LEU 29 - HE3 LYS 32 far 0 71 0 - 4.7-11.1 HD3 LYS 73 - HE2 LYS 75 far 0 48 0 - 5.5-13.9 HD2 LYS 73 - HE3 LYS 75 far 0 47 0 - 5.5-13.0 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 5.6-11.6 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 5.7-30.5 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 6.2-30.9 HD2 LYS 39 - HE2 LYS 13 far 0 92 0 - 6.8-30.7 HD3 LYS 39 - HE2 LYS 13 far 0 93 0 - 7.6-30.1 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.2-11.8 HG3 ARG 54 - HE3 LYS 13 far 0 89 0 - 8.5-36.6 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 8.7-12.7 HB3 LEU 51 - HE3 LYS 13 far 0 76 0 - 8.8-31.8 HG3 ARG 54 - HE2 LYS 13 far 0 91 0 - 9.9-37.2 HD2 LYS 73 - HE3 LYS 39 far 0 63 0 - 9.9-18.2 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 3 assignments used, quality = 1.00: * H ILE 40 + HA ILE 40 OK 100 100 100 100 2.7-2.9 3.0=100 H ASP 47 - HA ILE 40 far 0 71 0 - 8.0-9.4 H ALA 53 - HA ILE 40 far 0 76 0 - 9.2-11.0 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 - 7.0-8.3 HG3 PRO 36 - HA ILE 40 far 0 63 0 - 7.2-9.4 HG3 PRO 44 - HA ILE 40 far 0 89 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (0.93, 3.63, 64.52 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HA ILE 40 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 41 + HA ILE 40 OK 96 100 100 97 4.5-4.8 5130=43, 4330/3.0=34...(21) QD2 LEU 43 - HA ILE 40 poor 18 92 20 - 4.7-6.5 HG12 ILE 68 - HA ILE 40 far 0 98 0 - 6.5-10.0 QG1 VAL 76 - HA ILE 40 far 0 98 0 - 7.3-13.6 QG2 VAL 76 - HA ILE 40 far 0 98 0 - 7.6-15.8 QD2 LEU 62 - HA ILE 40 far 0 100 0 - 7.9-10.9 QD1 LEU 64 - HA ILE 40 far 0 71 0 - 7.9-10.6 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 2.7-3.3 4.0=94, 605/3.0=73...(26) HB ILE 68 - HA ILE 40 far 5 99 5 - 5.4-7.4 HB VAL 41 - HA ILE 40 far 0 71 0 - 5.9-6.1 HG13 ILE 68 - HA ILE 40 far 0 85 0 - 6.7-10.0 HB2 ARG 66 - HA ILE 40 far 0 60 0 - 7.7-11.5 HB3 PRO 14 - HA ILE 40 far 0 87 0 - 8.8-29.6 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (1.23, 3.63, 64.52 ppm; 3.82 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HA ILE 40 OK 100 100 100 100 2.5-2.8 4.0=84, 1.8/1926=71...(25) HG2 ARG 69 + HA ILE 40 OK 45 98 50 92 4.2-7.5 5981/5120=24, 2809=21...(20) QG1 VAL 65 + HA ILE 40 OK 43 100 45 95 3.6-7.1 4718/5120=35...(23) QG2 VAL 65 + HA ILE 40 OK 30 85 40 88 4.2-7.6 ~5034=17, 4724/3.2=17...(20) HG13 ILE 33 - HA ILE 40 far 0 96 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 1928 from cnoeabs.peaks (1.03, 3.63, 64.52 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HA ILE 40 OK 100 100 100 100 3.8-3.9 4.1=100 HG3 PRO 34 - HA ILE 40 far 0 95 0 - 7.9-9.9 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 2.4-2.7 3.9=93, 605/2.9=70...(23) Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (3.63, 2.12, 38.15 ppm; 4.08 A): 3 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 3.3-5.5 4769/2.1=45, ~4303=32...(23) HA VAL 65 + HB ILE 40 OK 35 100 35 99 5.0-6.5 5033/3.2=58, 1937/2.1=30...(25) Violated in 0 structures by 0.00 A. Peak 1931 from cnoeabs.peaks (2.12, 2.12, 38.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + HB ILE 40 OK 100 100 - 100 Peak 1932 from cnoeabs.peaks (0.93, 2.12, 38.15 ppm; 3.39 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HB ILE 40 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 41 + HB ILE 40 OK 96 100 100 96 2.7-3.0 4.0/139=37, 4330/3.9=27...(21) HG12 ILE 68 - HB ILE 40 far 5 98 5 - 4.4-7.3 QG2 VAL 76 - HB ILE 40 far 0 98 0 - 5.4-14.7 QD1 LEU 64 - HB ILE 40 far 0 71 0 - 6.4-8.8 QG1 VAL 76 - HB ILE 40 far 0 98 0 - 6.4-12.4 QD2 LEU 43 - HB ILE 40 far 0 92 0 - 7.2-8.5 QD2 LEU 62 - HB ILE 40 far 0 100 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (1.90, 2.12, 38.15 ppm; 3.80 A): 3 out of 7 assignments used, quality = 1.00: * HG12 ILE 40 + HB ILE 40 OK 100 100 100 100 2.4-2.6 2.9=100 HB ILE 68 + HB ILE 40 OK 98 99 100 99 3.3-5.0 2.1/4753=52, 5246/3.2=43...(32) HB VAL 41 + HB ILE 40 OK 68 71 100 96 4.6-5.1 3.9/139=49, 2.1/1932=38...(14) HG13 ILE 68 - HB ILE 40 far 4 85 5 - 4.4-7.4 HB2 ARG 66 - HB ILE 40 far 0 60 0 - 8.4-10.7 HB3 PRO 14 - HB ILE 40 far 0 87 0 - 9.5-29.0 HB2 GLU 19 - HB ILE 40 far 0 100 0 - 9.6-23.0 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (1.23, 2.12, 38.15 ppm; 4.06 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HB ILE 40 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 VAL 65 + HB ILE 40 OK 54 85 65 99 4.2-6.8 ~5034=28, ~4304=24...(31) QG1 VAL 65 + HB ILE 40 OK 50 100 50 99 3.9-6.8 5034/2.1=45, 5035/3.2=40...(28) HG2 ARG 69 + HB ILE 40 OK 47 98 50 96 3.9-6.8 ~4303=32, ~4302=27...(22) HG13 ILE 33 - HB ILE 40 far 0 96 0 - 7.0-10.1 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 2 assignments used, quality = 1.00: * QD1 ILE 40 + HB ILE 40 OK 100 100 100 100 2.2-2.5 3.2=100 HG3 PRO 34 - HB ILE 40 far 0 95 0 - 8.6-11.0 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 3 assignments used, quality = 1.00: * H ILE 40 + QG2 ILE 40 OK 100 100 100 100 3.7-3.8 4.0=96, 1929/2.1=73...(24) H ALA 53 - QG2 ILE 40 far 0 76 0 - 7.6-9.6 H ASP 47 - QG2 ILE 40 far 0 71 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 1937 from cnoeabs.peaks (3.63, 0.93, 18.83 ppm; 3.12 A): 3 out of 3 assignments used, quality = 1.00: * HA ILE 40 + QG2 ILE 40 OK 100 100 100 100 2.2-2.4 3.2=93, 3.0/1936=36...(31) HA VAL 65 + QG2 ILE 40 OK 94 100 100 94 3.1-4.4 5033/1942=35...(29) HA ARG 69 + QG2 ILE 40 OK 94 100 100 94 2.1-4.1 4769=33, 3.0/4303=31...(26) 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 - 7.0-8.0 HG3 PRO 36 - QG2 ILE 40 far 0 63 0 - 7.7-9.2 HG3 PRO 44 - QG2 ILE 40 far 0 89 0 - 9.0-10.5 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): 3 out of 7 assignments used, quality = 1.00: * HG12 ILE 40 + QG2 ILE 40 OK 100 100 100 100 3.2-3.2 3.2=100 HB ILE 68 + QG2 ILE 40 OK 98 99 100 99 1.9-3.8 5246/3.0=33, 2.1/4298=29...(36) HG13 ILE 68 + QG2 ILE 40 OK 33 85 40 98 3.5-6.2 2.1/2781=29, ~5247=24...(35) HB VAL 41 - QG2 ILE 40 poor 18 71 25 - 4.6-5.7 HB2 ARG 66 - QG2 ILE 40 far 0 60 0 - 5.1-7.3 HB3 PRO 14 - QG2 ILE 40 far 0 87 0 - 9.4-24.8 HB2 GLU 19 - QG2 ILE 40 far 0 100 0 - 10.0-20.8 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.23, 0.93, 18.83 ppm; 3.04 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + QG2 ILE 40 OK 99 100 100 99 2.2-2.4 3.2=87, 2.1/1942=64...(21) QG1 VAL 65 + QG2 ILE 40 OK 96 100 100 96 1.9-4.2 5034=36, 4718/4323=30...(35) HG2 ARG 69 + QG2 ILE 40 OK 87 98 100 89 1.9-4.4 3.0/4303=30, 3.0/4302=27...(23) QG2 VAL 65 + QG2 ILE 40 OK 66 85 85 92 2.5-4.9 2.1/5034=27...(32) HG13 ILE 33 - QG2 ILE 40 far 0 96 0 - 5.9-8.7 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 1.9-2.3 3.0=94, 607/1936=26...(30) HG3 PRO 34 - QG2 ILE 40 far 0 95 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (7.24, 1.90, 28.19 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HG12 ILE 40 OK 100 100 100 100 1.9-2.5 605=100, 606/1.8=84...(18) 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 3 assignments used, quality = 1.00: * HA ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.7-3.3 4.0=100 HA VAL 65 + HG12 ILE 40 OK 55 100 55 99 5.0-6.8 5033/2.1=80, 1951/1.8=38...(21) HA ARG 69 - HG12 ILE 40 far 10 100 10 - 5.6-8.0 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (2.12, 1.90, 28.19 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HB ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 PRO 36 + HG12 ILE 40 OK 37 100 65 57 5.1-6.4 6126/5599=30...(5) HG3 PRO 36 - HG12 ILE 40 far 0 63 0 - 5.7-7.5 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 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG12 ILE 40 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 VAL 41 + HG12 ILE 40 OK 98 100 100 98 4.3-5.3 4349/2.9=41, 4330/605=41...(18) HG12 ILE 68 - HG12 ILE 40 far 5 98 5 - 4.8-8.5 QD1 LEU 64 - HG12 ILE 40 far 0 71 0 - 5.9-9.1 QD2 LEU 43 - HG12 ILE 40 far 0 92 0 - 6.3-8.0 QG2 VAL 76 - HG12 ILE 40 far 0 98 0 - 7.4-16.5 QG1 VAL 76 - HG12 ILE 40 far 0 98 0 - 8.0-14.3 QD2 LEU 62 - HG12 ILE 40 far 0 100 0 - 8.5-11.3 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): 3 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 QG2 VAL 65 + HG12 ILE 40 OK 48 85 60 94 3.3-6.3 ~5033=21, ~5035=21...(28) QG1 VAL 65 + HG12 ILE 40 OK 24 100 25 96 3.4-7.0 5035/2.1=37, 5034/3.2=25...(27) HG2 ARG 69 - HG12 ILE 40 far 0 98 0 - 5.8-8.9 HG13 ILE 33 - HG12 ILE 40 far 0 96 0 - 6.0-8.7 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 - 6.3-9.0 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 3.0-3.8 606=100, 605/1.8=98...(16) H ALA 53 - HG13 ILE 40 far 0 76 0 - 8.8-10.7 H ASP 47 - HG13 ILE 40 far 0 71 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (3.63, 1.23, 28.19 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.5-2.8 4.0=100 HA VAL 65 + HG13 ILE 40 OK 94 100 95 99 4.0-5.9 5033/2.1=78, ~4304=29...(24) HA ARG 69 - HG13 ILE 40 far 10 100 10 - 5.5-7.9 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (2.12, 1.23, 28.19 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + HG13 ILE 40 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 PRO 36 - HG13 ILE 40 far 0 100 0 - 6.4-8.1 HG3 PRO 36 - HG13 ILE 40 far 0 63 0 - 7.3-9.2 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 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 41 + HG13 ILE 40 OK 98 100 100 99 5.2-5.5 4349/2.9=48, 4330/606=44...(18) HG12 ILE 68 - HG13 ILE 40 far 10 98 10 - 4.8-8.9 QD1 LEU 64 - HG13 ILE 40 far 0 71 0 - 5.9-8.9 QD2 LEU 43 - HG13 ILE 40 far 0 92 0 - 6.2-8.2 QD2 LEU 62 - HG13 ILE 40 far 0 100 0 - 7.1-10.0 QG2 VAL 76 - HG13 ILE 40 far 0 98 0 - 7.9-15.9 QG1 VAL 76 - HG13 ILE 40 far 0 98 0 - 8.9-14.7 Violated in 0 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (1.90, 1.23, 28.19 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 40 + HG13 ILE 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 68 + HG13 ILE 40 OK 34 99 35 98 4.0-6.1 5246/2.1=39, ~5249=35...(29) HG13 ILE 68 - HG13 ILE 40 far 0 85 0 - 5.2-8.7 HB VAL 41 - HG13 ILE 40 far 0 71 0 - 7.4-7.8 HB2 ARG 66 - HG13 ILE 40 far 0 60 0 - 7.4-10.4 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 - 5.9-8.0 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 2 assignments used, quality = 1.00: * H ILE 40 + QD1 ILE 40 OK 100 100 100 100 3.3-3.8 607=100, 605/2.1=94...(17) H ALA 53 - QD1 ILE 40 far 0 76 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (3.63, 1.03, 14.28 ppm; 3.78 A): 3 out of 3 assignments used, quality = 1.00: * HA ILE 40 + QD1 ILE 40 OK 100 100 100 100 3.8-3.9 4.1=76, 3.2/1942=68...(28) HA VAL 65 + QD1 ILE 40 OK 100 100 100 100 2.2-3.6 5033=81, 4761/5247=47...(29) HA ARG 69 + QD1 ILE 40 OK 57 100 60 95 4.2-6.2 4769/3.0=33...(21) Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (2.12, 1.03, 14.28 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + QD1 ILE 40 OK 100 100 100 100 2.2-2.5 3.2=100 HB2 PRO 36 - QD1 ILE 40 far 15 100 15 - 5.0-6.1 HG3 PRO 36 - QD1 ILE 40 far 0 63 0 - 6.2-7.4 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 8 assignments used, quality = 1.00: * QG2 ILE 40 + QD1 ILE 40 OK 100 100 100 100 1.9-2.3 3.0=100 QG2 VAL 41 + QD1 ILE 40 OK 94 100 100 94 3.9-4.3 4349/3.2=26, 4330/607=25...(22) HG12 ILE 68 + QD1 ILE 40 OK 72 98 75 98 2.1-5.5 2.1/5247=57, 3.2/5249=45...(27) QD1 LEU 64 - QD1 ILE 40 poor 8 71 40 27 3.4-5.9 6134/5622=11...(6) QG2 VAL 76 - QD1 ILE 40 far 0 98 0 - 5.7-13.0 QD2 LEU 62 - QD1 ILE 40 far 0 100 0 - 5.8-8.2 QG1 VAL 76 - QD1 ILE 40 far 0 98 0 - 6.7-11.9 QD2 LEU 43 - QD1 ILE 40 far 0 92 0 - 6.8-8.3 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 9 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 1.9-3.5 2.1/5249=63, 3.2/5247=46...(33) HG13 ILE 68 + QD1 ILE 40 OK 71 85 85 98 2.5-5.4 2.1/5247=60, 3.2/5249=48...(30) HB VAL 41 - QD1 ILE 40 far 0 71 0 - 6.0-6.6 HB2 ARG 66 - QD1 ILE 40 far 0 60 0 - 6.2-8.3 HB2 GLU 19 - QD1 ILE 40 far 0 100 0 - 8.9-18.6 HB3 PRO 14 - QD1 ILE 40 far 0 87 0 - 9.3-22.1 HB2 ARG 26 - QD1 ILE 40 far 0 71 0 - 9.4-11.9 HB3 ARG 26 - QD1 ILE 40 far 0 73 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 1962 from cnoeabs.peaks (1.23, 1.03, 14.28 ppm; 3.00 A): 4 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 96 100 100 96 2.0-4.5 5035=40, 3.2/5033=30...(34) QG2 VAL 65 + QD1 ILE 40 OK 80 85 100 94 1.7-3.8 3.2/5033=30, 2.1/5035=30...(33) HG13 ILE 33 + QD1 ILE 40 OK 24 96 45 57 3.5-6.0 3.2/4300=33, 2.1/4221=11...(10) HG2 ARG 69 - QD1 ILE 40 far 0 98 0 - 4.8-7.0 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 84 100 85 99 4.5-6.3 5089/3.6=48, 4364/3.2=47...(11) HD21 ASN 74 - HA VAL 41 far 0 92 0 - 9.2-13.1 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 - 6.2-6.5 HB3 ARG 70 - HA VAL 41 far 0 71 0 - 7.7-10.2 HG13 ILE 68 - HA VAL 41 far 0 99 0 - 7.8-10.2 HB2 ARG 70 - HA VAL 41 far 0 71 0 - 7.9-9.9 HB3 ARG 66 - HA VAL 41 far 0 96 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (0.80, 3.58, 65.23 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + HA VAL 41 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 ILE 68 + HA VAL 41 OK 22 95 35 66 3.8-5.9 1982/3.2=25, 611/3.0=22...(13) QD1 ILE 68 - HA VAL 41 far 0 92 0 - 6.7-8.5 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 8 assignments used, quality = 1.00: * QG2 VAL 41 + HA VAL 41 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 ILE 40 + HA VAL 41 OK 98 100 100 98 3.1-4.0 5210=46, 3816/3.0=34...(32) QG1 VAL 76 - HA VAL 41 far 0 93 0 - 4.8-11.8 QG2 VAL 76 - HA VAL 41 far 0 93 0 - 5.2-13.9 QD2 LEU 43 - HA VAL 41 far 0 97 0 - 6.7-7.6 HG12 ILE 68 - HA VAL 41 far 0 93 0 - 7.5-10.0 QD1 LEU 64 - HA VAL 41 far 0 83 0 - 9.0-11.5 QD2 LEU 62 - HA VAL 41 far 0 100 0 - 9.9-12.8 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: HD21 ASN 42 + HB VAL 41 OK 98 100 100 98 2.4-3.7 4364/2.1=39, 4906=37...(14) * H VAL 41 + HB VAL 41 OK 95 100 100 95 2.5-2.8 3.9=63, 916/146=43...(12) HD21 ASN 74 - HB VAL 41 far 0 92 0 - 8.4-12.5 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 - 9.7-11.8 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 14 95 15 - 4.0-5.8 QD1 ILE 68 - HB VAL 41 far 0 92 0 - 6.5-8.6 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 QG1 VAL 76 - HB VAL 41 far 14 93 15 - 3.3-12.8 QG2 VAL 76 - HB VAL 41 lone 0 93 25 2 3.5-15.1 1978/2.1=1 QG2 ILE 40 - HB VAL 41 far 0 100 0 - 4.6-5.7 QD2 LEU 43 - HB VAL 41 far 0 97 0 - 7.0-8.3 HG12 ILE 68 - HB VAL 41 far 0 93 0 - 7.7-10.0 QD1 LEU 64 - HB VAL 41 far 0 83 0 - 9.4-11.9 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 3.2-4.7 4364=58, 1.7/4367=55...(14) * H VAL 41 + QG1 VAL 41 OK 99 100 100 99 3.7-3.8 4.0=85, 916/147=51...(14) HD21 ASN 74 - QG1 VAL 41 far 0 92 0 - 5.8-9.3 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (3.58, 0.80, 21.38 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 41 + QG1 VAL 41 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (1.93, 0.80, 21.38 ppm; 3.07 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 41 + QG1 VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 70 - QG1 VAL 41 far 0 71 0 - 6.5-8.7 HB3 ARG 70 - QG1 VAL 41 far 0 71 0 - 6.5-8.8 HG12 ILE 40 - QG1 VAL 41 far 0 71 0 - 6.7-7.3 HG13 ILE 68 - QG1 VAL 41 far 0 99 0 - 7.1-9.0 HB2 GLU 19 - QG1 VAL 41 far 0 83 0 - 8.2-20.9 HB3 ARG 66 - QG1 VAL 41 far 0 96 0 - 9.2-10.8 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 8 assignments used, quality = 1.00: * QG2 VAL 41 + QG1 VAL 41 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 76 - QG1 VAL 41 poor 19 93 20 - 1.9-9.6 QG2 ILE 40 - QG1 VAL 41 far 5 100 5 - 4.3-5.0 QG2 VAL 76 - QG1 VAL 41 lone 2 93 30 8 2.7-11.3 5430/5403=4, 5263/5264=1 QD2 LEU 43 - QG1 VAL 41 far 0 97 0 - 6.7-7.6 HG12 ILE 68 - QG1 VAL 41 far 0 93 0 - 6.8-8.8 QD1 LEU 64 - QG1 VAL 41 far 0 83 0 - 8.1-10.4 QD2 LEU 62 - QG1 VAL 41 far 0 100 0 - 9.9-12.3 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 98 100 100 98 1.9-2.4 4.0=54, 610/2.1=40...(19) HD21 ASN 42 + QG2 VAL 41 OK 93 100 95 97 3.9-4.8 4364/2.1=37, 4363=35...(14) HD21 ASN 74 - QG2 VAL 41 far 0 92 0 - 5.9-9.4 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (3.58, 0.94, 22.13 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + QG2 VAL 41 OK 100 100 100 100 2.4-2.5 3.2=100 HD3 PRO 36 - QG2 VAL 41 far 0 96 0 - 8.1-9.8 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 poor 14 71 20 - 4.3-5.3 HG13 ILE 68 - QG2 VAL 41 far 0 99 0 - 5.1-6.8 HB3 ARG 70 - QG2 VAL 41 far 0 71 0 - 6.3-8.2 HB2 ARG 70 - QG2 VAL 41 far 0 71 0 - 6.5-8.2 HB2 GLU 19 - QG2 VAL 41 far 0 83 0 - 7.0-19.4 HB3 ARG 66 - QG2 VAL 41 far 0 96 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (0.80, 0.94, 22.13 ppm; 2.78 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + QG2 VAL 41 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 68 + QG2 VAL 41 OK 80 95 100 85 1.9-3.3 2760=26, 4753/4349=13...(27) QD1 ILE 68 - QG2 VAL 41 far 5 92 5 - 4.0-5.6 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (0.94, 0.94, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 41 + QG2 VAL 41 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (4.68, 4.68, 53.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 42 + HA ASN 42 OK 100 100 - 100 Peak 1986 from cnoeabs.peaks (2.76, 4.68, 53.88 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 42 + HA ASN 42 OK 100 100 100 100 2.6-2.6 3.0=100 HB3 ASN 42 + HA ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ASN 74 - HA ASN 42 far 0 73 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (2.76, 4.68, 53.88 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 42 + HA ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 ASN 42 + HA ASN 42 OK 100 100 100 100 2.6-2.6 3.0=100 HB3 ASN 74 - HA ASN 42 far 0 78 0 - 9.9-14.1 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 2.5-3.7 4.4=86, 5089/3.0=62...(7) H VAL 41 + HA ASN 42 OK 96 100 100 96 4.9-5.4 916/3.0=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 + HB3 ASN 42 OK 98 100 100 98 2.3-2.4 4.1=69, 5089/3.5=41...(12) * H ASN 42 + HB2 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 616/1.8=42...(10) 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 2.6-2.6 3.0=100 HA ASN 42 + HB3 ASN 42 OK 100 100 100 100 3.0-3.0 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 3.5-4.1 3.5=100 HD21 ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.6-3.7 3.5=100 H VAL 41 + HB3 ASN 42 OK 90 100 100 90 4.1-4.8 916/4.1=44, 5631/4.4=34...(11) H VAL 41 - HB2 ASN 42 far 0 100 0 - 5.7-6.3 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 3.5-4.1 3.5=100 HD22 ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.7-3.7 3.5=100 QE PHE 35 - HB3 ASN 42 far 0 99 0 - 8.3-9.8 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (7.72, 2.76, 39.67 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 42 + HB3 ASN 42 OK 98 100 100 98 2.3-2.4 4.1=69, 5089/3.5=41...(12) H ASN 42 + HB2 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 616/1.8=42...(10) 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 3.0-3.0 3.0=100 HA ASN 42 + HB2 ASN 42 OK 100 100 100 100 2.6-2.6 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 2.6-3.7 3.5=100 HD21 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.5-4.1 3.5=100 H VAL 41 + HB3 ASN 42 OK 90 100 100 90 4.1-4.8 916/4.1=44, 5631/4.4=34...(11) H VAL 41 - HB2 ASN 42 far 0 100 0 - 5.7-6.3 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 2.7-3.7 3.5=100 HD22 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.5-4.1 3.5=100 QE PHE 35 - HB3 ASN 42 far 0 99 0 - 8.3-9.8 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 9.7-11.2 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 3 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 51 - HA LEU 43 far 0 97 0 - 7.7-9.2 H LEU 43 - HA LYS 13 far 0 92 0 - 9.2-33.8 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 4 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 29 - HA LYS 13 far 0 89 0 - 6.0-25.7 HG3 ARG 26 - HA LYS 13 far 0 62 0 - 8.4-29.8 HB2 LEU 43 - HA LYS 13 far 0 92 0 - 8.8-33.7 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 2.4-2.7 3.0=100 HG2 LYS 13 + HA LYS 13 OK 80 82 100 98 2.4-4.2 3.9=81, 470/3.0=41...(16) HG3 LYS 13 + HA LYS 13 OK 72 73 100 98 2.2-4.2 3.9=81, 471/3.0=35...(17) QB ALA 30 - HA LYS 13 far 4 89 5 - 5.1-22.4 HB3 LEU 43 - HA LYS 13 far 0 92 0 - 8.5-35.1 HG12 ILE 33 - HA LYS 13 far 0 90 0 - 9.1-25.0 HG2 LYS 13 - HA LEU 43 far 0 93 0 - 9.3-37.6 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 10 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.4-3.4 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...(8) HG3 PRO 14 + HA LYS 13 OK 91 91 100 99 4.4-4.5 2.3/4801=85, 2.3/4802=83...(7) HB3 MET 11 - HA LYS 13 far 8 75 10 - 4.6-8.7 HG3 PRO 14 - HA LEU 43 far 5 100 5 - 5.5-34.4 HG2 PRO 14 - HA LEU 43 far 0 100 0 - 5.9-32.8 HG LEU 43 - HA LYS 13 far 0 92 0 - 6.4-34.8 HB3 GLN 79 - HA LEU 43 far 0 99 0 - 7.9-31.0 QE MET 31 - HA LYS 13 far 0 92 0 - 8.1-24.1 HB2 GLN 79 - HA LEU 43 far 0 78 0 - 8.7-30.3 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 5 assignments used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.7-3.9 4.1=100 QD1 LEU 43 - HA LYS 13 far 5 92 5 - 5.5-28.0 QD2 LEU 29 - HA LYS 13 far 4 81 5 - 5.6-23.1 QG2 ILE 68 - HA LEU 43 far 0 81 0 - 8.3-10.8 QD2 LEU 64 - HA LYS 13 far 0 81 0 - 8.7-23.6 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 1.9-2.6 2038=100, 4388/4374=42...(15) QD2 LEU 43 - HA LYS 13 far 5 92 5 - 4.7-30.5 QG2 ILE 40 - HA LEU 43 far 0 92 0 - 6.2-7.8 QG2 VAL 41 - HA LEU 43 far 0 97 0 - 7.3-7.9 QG1 VAL 76 - HA LEU 43 far 0 73 0 - 7.7-17.3 QG2 VAL 76 - HA LEU 43 far 0 73 0 - 8.3-19.1 QD1 LEU 64 - HA LYS 13 far 0 87 0 - 9.9-24.8 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 2.2-2.6 621=100, 622/1.8=82...(14) H LEU 51 - HB2 LEU 43 far 0 97 0 - 5.8-7.5 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 - 8.8-33.7 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 3 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 - 8.6-35.1 HG3 LYS 13 - HB2 LEU 43 far 0 85 0 - 9.9-34.6 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 5 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 PRO 14 - HB2 LEU 43 far 0 100 0 - 6.1-30.7 HG3 PRO 14 - HB2 LEU 43 far 0 100 0 - 6.6-32.3 HG2 ARG 66 - HB2 LEU 43 far 0 78 0 - 9.3-13.5 HB3 GLN 79 - HB2 LEU 43 far 0 99 0 - 9.5-29.4 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 2.0-2.5 3.1=100 QG2 ILE 68 - HB2 LEU 43 far 0 81 0 - 6.2-9.0 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 7 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 ILE 40 + HB2 LEU 43 OK 69 92 85 89 3.8-5.7 3.2/5123=34...(14) QG2 VAL 41 - HB2 LEU 43 far 0 97 0 - 5.9-6.9 QG1 VAL 76 - HB2 LEU 43 far 0 73 0 - 7.7-16.1 QG2 VAL 76 - HB2 LEU 43 far 0 73 0 - 7.8-18.1 HG12 ILE 68 - HB2 LEU 43 far 0 73 0 - 9.0-13.2 QD2 LEU 62 - HB2 LEU 43 far 0 92 0 - 9.1-12.8 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 poor 19 97 20 - 5.3-6.7 H ARG 54 - HB3 LEU 43 far 0 97 0 - 9.8-11.2 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 2.4-2.7 3.0=100 HA LYS 13 - HB3 LEU 43 far 0 99 0 - 8.5-35.1 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 6 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 14 - HB3 LEU 43 far 0 100 0 - 6.8-31.5 HG3 PRO 14 - HB3 LEU 43 far 0 100 0 - 6.9-33.1 HB3 GLN 79 - HB3 LEU 43 far 0 99 0 - 9.6-30.2 HG2 ARG 66 - HB3 LEU 43 far 0 78 0 - 9.8-14.8 HB2 GLN 79 - HB3 LEU 43 far 0 78 0 - 10.0-29.7 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 2.1-2.8 3.1=100 QG2 ILE 68 - HB3 LEU 43 far 0 81 0 - 7.5-10.5 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (0.94, 1.44, 42.41 ppm; 3.85 A): 2 out of 6 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 OK 24 92 30 87 4.8-6.8 2015/1.8=30, ~5123=26...(14) QG2 VAL 41 - HB3 LEU 43 far 0 97 0 - 7.2-8.2 QG1 VAL 76 - HB3 LEU 43 far 0 73 0 - 7.7-16.8 QG2 VAL 76 - HB3 LEU 43 far 0 73 0 - 8.2-18.6 QD2 LEU 62 - HB3 LEU 43 far 0 92 0 - 9.1-12.8 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 4 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-3.5 623=100, 624/2.1=80...(11) H LEU 43 - HG2 PRO 14 far 0 63 0 - 5.8-31.3 H LEU 43 - HG3 PRO 14 far 0 63 0 - 5.9-32.9 H LEU 51 - HG LEU 43 far 0 97 0 - 6.7-8.7 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 2.4-3.4 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...(8) HA LYS 13 + HG3 PRO 14 OK 60 60 100 100 4.4-4.5 4817/2.3=97, 4816/2.3=96...(7) HA LEU 43 - HG3 PRO 14 far 3 63 5 - 5.5-34.4 HA LEU 43 - HG2 PRO 14 far 3 63 5 - 5.9-32.8 HA LYS 13 - HG LEU 43 far 0 99 0 - 6.4-34.8 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 13 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LEU 29 - HG2 PRO 14 far 9 60 15 - 4.5-23.5 HB2 LEU 29 - HG3 PRO 14 far 3 60 5 - 4.6-22.5 HG3 ARG 26 - HG2 PRO 14 far 2 39 5 - 4.0-25.5 HG3 ARG 26 - HG3 PRO 14 far 2 39 5 - 4.6-26.9 HB2 LEU 43 - HG2 PRO 14 far 0 63 0 - 6.1-30.7 HB2 LEU 43 - HG3 PRO 14 far 0 63 0 - 6.6-32.3 HG2 ARG 70 - HG3 PRO 14 far 0 51 0 - 7.9-37.7 HG2 ARG 70 - HG2 PRO 14 far 0 51 0 - 7.9-36.6 HB3 ARG 17 - HG2 PRO 14 far 0 47 0 - 8.0-13.3 HG3 ARG 71 - HG3 PRO 14 far 0 34 0 - 8.1-34.8 HG3 ARG 71 - HG2 PRO 14 far 0 34 0 - 8.3-34.3 HB3 ARG 17 - HG3 PRO 14 far 0 47 0 - 9.5-14.1 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 16 47 45 76 4.7-6.9 ~4820=38, ~4813=33...(6) HG2 LYS 13 - HG2 PRO 14 poor 11 54 20 - 3.2-7.2 QB ALA 30 - HG2 PRO 14 far 9 60 15 - 4.1-19.5 HG2 LYS 13 - HG3 PRO 14 far 5 54 10 - 4.3-7.4 HG3 LYS 13 - HG3 PRO 14 far 5 47 10 - 4.9-7.4 QB ALA 30 - HG3 PRO 14 far 3 60 5 - 3.4-20.9 HG12 ILE 33 - HG3 PRO 14 far 0 60 0 - 5.8-23.3 HG2 LYS 13 - HG LEU 43 far 0 93 0 - 6.8-36.1 HB3 LEU 43 - HG2 PRO 14 far 0 63 0 - 6.8-31.5 HB3 LEU 43 - HG3 PRO 14 far 0 63 0 - 6.9-33.1 HG12 ILE 33 - HG2 PRO 14 far 0 60 0 - 7.1-22.1 HG3 LYS 13 - HG LEU 43 far 0 85 0 - 7.8-35.3 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 9 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 29 - HG2 PRO 14 far 8 52 15 - 2.0-21.7 QD1 LEU 43 - HG2 PRO 14 far 3 63 5 - 4.3-24.5 QD2 LEU 29 - HG3 PRO 14 far 3 52 5 - 2.3-20.8 QD1 LEU 43 - HG3 PRO 14 far 0 63 0 - 5.1-25.2 QG2 ILE 68 - HG LEU 43 far 0 81 0 - 7.6-9.8 QD2 LEU 64 - HG2 PRO 14 far 0 52 0 - 7.6-19.8 QD2 LEU 64 - HG3 PRO 14 far 0 52 0 - 7.7-21.1 QG2 ILE 68 - HG2 PRO 14 far 0 44 0 - 9.5-23.6 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 - 3.7-27.0 QD2 LEU 43 - HG2 PRO 14 far 3 63 5 - 3.9-27.0 QG2 ILE 40 - HG LEU 43 far 0 92 0 - 5.6-7.3 QG2 VAL 41 - HG LEU 43 far 0 97 0 - 6.5-7.7 QD1 LEU 64 - HG2 PRO 14 far 0 58 0 - 7.9-22.0 QG2 ILE 40 - HG2 PRO 14 far 0 52 0 - 8.2-24.6 QG2 VAL 41 - HG2 PRO 14 far 0 58 0 - 8.2-25.8 QD1 LEU 64 - HG3 PRO 14 far 0 58 0 - 8.2-23.4 QG2 VAL 41 - HG3 PRO 14 far 0 58 0 - 8.7-27.0 QG1 VAL 76 - HG LEU 43 far 0 73 0 - 8.8-17.9 QG2 ILE 40 - HG3 PRO 14 far 0 52 0 - 9.0-25.8 QG2 VAL 76 - HG LEU 43 far 0 73 0 - 9.1-19.9 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 3.4-3.9 624=100, 623/2.1=81...(15) H LEU 51 + QD1 LEU 43 OK 84 97 100 87 3.8-5.4 4525/4468=45...(7) H ARG 54 - QD1 LEU 43 far 0 97 0 - 6.9-8.4 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 3.7-3.9 4.1=100 HA LYS 13 - QD1 LEU 43 far 5 99 5 - 5.5-28.0 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 2.0-2.5 3.1=100 HG3 ARG 66 - QD1 LEU 43 far 0 60 0 - 9.1-12.6 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 4 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.8 3.1=100 HG2 LYS 13 - QD1 LEU 43 far 0 93 0 - 4.8-29.2 HG3 LYS 13 - QD1 LEU 43 far 0 85 0 - 6.0-28.6 HG12 ILE 33 - QD1 LEU 43 far 0 99 0 - 9.4-12.3 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 5 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 14 - QD1 LEU 43 far 5 100 5 - 4.3-24.5 HG3 PRO 14 - QD1 LEU 43 far 0 100 0 - 5.1-25.2 HG2 ARG 66 - QD1 LEU 43 far 0 78 0 - 8.7-12.5 HB3 MET 11 - QD1 LEU 43 far 0 87 0 - 8.8-31.8 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 8 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 40 - QD1 LEU 43 poor 18 92 25 80 3.7-5.9 4301/4917=20...(19) QG2 VAL 41 - QD1 LEU 43 far 0 97 0 - 5.9-7.3 QD2 LEU 62 - QD1 LEU 43 far 0 92 0 - 7.4-10.8 HG12 ILE 68 - QD1 LEU 43 far 0 73 0 - 7.8-12.0 QG1 VAL 76 - QD1 LEU 43 far 0 73 0 - 8.1-15.1 QG2 VAL 76 - QD1 LEU 43 far 0 73 0 - 8.3-16.8 QD1 LEU 64 - QD1 LEU 43 far 0 97 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 2037 from cnoeabs.peaks (7.52, 0.94, 22.80 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.6-4.4 623/2.1=86, 624/2.1=80...(14) H LEU 51 - QD2 LEU 43 poor 19 97 20 - 4.5-6.7 H ARG 54 - QD2 LEU 43 far 0 97 0 - 8.0-10.2 Violated in 5 structures by 0.05 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 1.9-2.6 2008=93, 4374/4388=40...(14) HA LYS 13 - QD2 LEU 43 far 0 99 0 - 4.7-30.5 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (1.72, 0.94, 22.80 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.1-3.2 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 - 5.6-31.7 HG3 LYS 13 - QD2 LEU 43 far 0 85 0 - 6.3-31.0 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 7 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 - 3.7-27.0 HG2 PRO 14 - QD2 LEU 43 far 5 100 5 - 3.9-27.0 HB3 MET 11 - QD2 LEU 43 far 0 87 0 - 7.3-34.3 HB3 GLN 79 - QD2 LEU 43 far 0 99 0 - 8.7-27.4 HB2 GLN 79 - QD2 LEU 43 far 0 78 0 - 9.3-27.0 HG2 ARG 66 - QD2 LEU 43 far 0 78 0 - 9.8-14.3 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 1.9-2.1 2.1=100 QG2 ILE 68 - QD2 LEU 43 far 0 81 0 - 7.7-9.5 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 - 7.5-7.7 Violated in 6 structures by 0.03 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 HD2 ARG 69 - HD2 PRO 44 far 0 89 0 - 6.8-11.6 HB2 GLU 50 - HD2 PRO 44 far 0 99 0 - 6.9-11.2 HD3 ARG 69 - HD2 PRO 44 far 0 89 0 - 7.1-10.6 HB VAL 45 - HD2 PRO 44 far 0 87 0 - 7.5-7.7 HB3 GLU 50 - HD2 PRO 44 far 0 99 0 - 8.5-10.8 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 - 9.4-10.8 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 - 6.3-7.1 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 14 structures by 0.04 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 HD2 ARG 69 - HD3 PRO 44 far 0 89 0 - 6.3-11.8 HD3 ARG 69 - HD3 PRO 44 far 0 89 0 - 6.8-10.6 HB2 GLU 50 - HD3 PRO 44 far 0 99 0 - 7.1-9.5 HB VAL 45 - HD3 PRO 44 far 0 87 0 - 7.5-7.7 HB3 GLU 50 - HD3 PRO 44 far 0 99 0 - 8.0-10.9 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 - 9.4-10.8 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 - 5.0-7.4 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): 2 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 OK 66 71 100 92 4.4-4.5 3.9/155=41, 2.1/5650=36...(10) 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 7 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...(10) HD2 ARG 69 - HA PRO 44 poor 18 89 20 - 4.8-9.0 HD3 ARG 69 - HA PRO 44 far 13 89 15 - 4.7-8.0 HB VAL 76 - HA PRO 44 far 0 100 0 - 7.3-18.0 HB2 GLU 50 - HA PRO 44 far 0 99 0 - 9.1-11.6 HB3 GLU 50 - HA PRO 44 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (2.14, 4.57, 62.40 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 44 + HA PRO 44 OK 100 100 100 100 4.0-4.0 3.8=100 HB ILE 40 - HA PRO 44 far 0 89 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (4.57, 2.48, 32.30 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 44 + HB2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 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 2.3-3.0 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 55 55 100 100 2.3-3.0 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 11 assignments used, quality = 1.00: * HG2 PRO 44 + HB2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 19 - HB3 PRO 36 far 0 53 0 - 5.2-21.9 HB VAL 45 - HB2 PRO 44 far 0 87 0 - 5.3-5.5 HB2 GLU 25 - HB3 PRO 36 far 0 55 0 - 6.1-11.4 HB3 GLU 25 - HB3 PRO 36 far 0 54 0 - 6.8-10.6 HD3 ARG 69 - HB2 PRO 44 far 0 89 0 - 7.0-10.1 HD2 ARG 69 - HB2 PRO 44 far 0 89 0 - 7.0-11.2 HB VAL 76 - HB2 PRO 44 far 0 100 0 - 8.6-20.0 HB2 GLU 87 - HB3 PRO 36 far 0 46 0 - 8.7-46.0 HB2 GLU 50 - HB2 PRO 44 far 0 99 0 - 9.1-11.6 HB3 GLU 50 - HB2 PRO 44 far 0 99 0 - 9.9-12.0 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 - 7.4-8.9 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 HA PHE 48 - HB2 PRO 44 far 0 98 0 - 7.8-8.3 HB2 SER 22 - HB3 PRO 36 far 0 30 0 - 8.5-14.9 Violated in 0 structures by 0.00 A. Peak 2071 from cnoeabs.peaks (3.67, 2.48, 32.30 ppm; 4.51 A): 2 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 OK 76 76 100 100 5.7-5.9 3.0/156=70, ~155=49...(19) 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 - 8.0-26.6 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 9 87 10 - 4.2-4.5 HD3 ARG 69 - HB3 PRO 44 far 0 89 0 - 6.8-9.9 HD2 ARG 69 - HB3 PRO 44 far 0 89 0 - 6.8-10.8 HB2 GLU 50 - HB3 PRO 44 far 0 99 0 - 7.6-10.2 HB3 GLU 50 - HB3 PRO 44 far 0 99 0 - 8.4-10.9 HB VAL 76 - HB3 PRO 44 far 0 100 0 - 9.3-19.8 HG2 PRO 56 - HB3 MET 31 far 0 43 0 - 9.4-14.2 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 14 32 95 48 1.9-5.8 3.5/5910=14, 3.5/5911=9...(10) 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 - 7.0-7.6 HA ALA 63 - HB3 MET 31 far 0 28 0 - 8.0-10.4 HA GLU 59 - HB3 MET 31 far 0 45 0 - 8.7-11.1 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 76 76 100 100 4.5-4.8 3.0/157=43, ~155=40...(21) Violated in 0 structures by 0.00 A. Peak 2079 from cnoeabs.peaks (4.57, 2.05, 27.95 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.9-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 2080 from cnoeabs.peaks (2.48, 2.05, 27.95 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 2081 from cnoeabs.peaks (2.09, 2.05, 27.95 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HG2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 45 - HG2 PRO 44 far 0 71 0 - 6.0-6.4 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 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (3.67, 2.05, 27.95 ppm; 4.24 A): 2 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 OK 73 76 100 97 5.4-5.7 ~156=37, 2078/2.3=31...(16) 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 1 assignment used, quality = 1.00: * HA PRO 44 + HG3 PRO 44 OK 100 100 100 100 4.0-4.0 3.8=100 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 - 6.8-7.1 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 - 6.8-7.1 HB2 GLU 50 - HG3 PRO 44 far 0 99 0 - 7.9-10.3 HD2 ARG 69 - HG3 PRO 44 far 0 89 0 - 7.9-12.7 HD3 ARG 69 - HG3 PRO 44 far 0 89 0 - 8.2-11.6 HB3 GLU 50 - HG3 PRO 44 far 0 99 0 - 8.8-10.7 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 - 7.2-8.0 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 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (8.62, 3.69, 66.64 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 45 + HA VAL 45 OK 100 100 100 100 2.7-2.8 3.0=100 H ASN 49 + HA VAL 45 OK 66 68 100 97 3.2-3.7 4487=44, 4.3/4407=43...(13) 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): 2 out of 6 assignments used, quality = 1.00: * HB VAL 45 + HA VAL 45 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 PRO 44 + HA VAL 45 OK 69 71 100 98 4.5-4.8 ~156=28, ~155=27...(21) HG2 PRO 44 - HA VAL 45 far 0 87 0 - 5.4-5.7 HB VAL 76 - HA VAL 45 far 0 81 0 - 6.1-16.6 HB2 GLU 50 - HA VAL 45 far 0 71 0 - 7.2-9.6 HB3 GLU 50 - HA VAL 45 far 0 71 0 - 8.0-10.0 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 2.0-2.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (0.99, 3.69, 66.64 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 45 + HA VAL 45 OK 100 100 100 100 3.0-3.1 3.2=100 QD1 LEU 57 - HA VAL 45 far 0 97 0 - 9.7-10.8 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...(6) H ASN 49 - HB VAL 45 far 0 68 0 - 5.7-6.1 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 2.8-2.8 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 3.4-3.5 629=100, 630/2.1=71...(12) H ASN 49 + QG2 VAL 45 OK 66 68 100 97 3.9-4.5 4.5/4421=33, 4487/3.2=30...(15) 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 2.0-2.2 3.2=100 HD3 PRO 44 - QG2 VAL 45 far 0 76 0 - 7.3-7.7 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 HB VAL 76 - QG2 VAL 45 far 8 81 10 - 3.3-14.4 HB3 PRO 44 - QG2 VAL 45 far 0 71 0 - 5.2-5.5 HG2 PRO 44 - QG2 VAL 45 far 0 87 0 - 6.4-6.6 HB2 GLU 50 - QG2 VAL 45 far 0 71 0 - 7.4-9.2 HB3 GLU 50 - QG2 VAL 45 far 0 71 0 - 7.9-9.8 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 - 8.7-9.8 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 2.9-3.2 630=100, 2098/2.1=70...(13) H ASN 49 + QG1 VAL 45 OK 65 68 100 96 4.2-4.7 4487/3.2=30...(14) 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 3.0-3.1 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 64 71 100 90 3.8-4.1 4.2/630=28, 2.3/5654=24...(16) HG2 PRO 44 - QG1 VAL 45 far 0 87 0 - 5.0-5.4 HB VAL 76 - QG1 VAL 45 far 0 81 0 - 5.5-15.8 HB2 GLU 50 - QG1 VAL 45 far 0 71 0 - 6.5-8.2 HB3 GLU 50 - QG1 VAL 45 far 0 71 0 - 6.9-9.1 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 76 100 85 90 4.0-5.1 171/3.6=50, 4.6/4489=31...(9) 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): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 46 + HA ASP 46 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 ASN 49 + HA ASP 46 OK 29 81 40 90 4.3-5.6 1.8/4488=40, 5360=33...(7) HB2 ASN 80 - HA ASP 67 far 0 89 0 - 6.0-26.2 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 3 assignments used, quality = 1.00: * HB3 ASP 46 + HA ASP 46 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 ASP 24 - HA ASP 67 far 0 87 0 - 7.5-11.4 HG3 MET 31 - HA ASP 67 far 0 62 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (8.77, 2.70, 39.53 ppm; 3.88 A): 2 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...(7) H PHE 48 + HB2 ASP 46 OK 49 100 60 82 4.9-5.7 171/169=62, 2121/1.8=29...(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 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2119 from cnoeabs.peaks (2.70, 2.70, 39.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 46 + HB2 ASP 46 OK 100 100 - 100 Peak 2120 from cnoeabs.peaks (2.55, 2.70, 39.53 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 46 + HB2 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (8.77, 2.55, 39.53 ppm; 3.76 A): 2 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 OK 60 100 75 80 4.3-5.5 171/170=62, 2113/3.0=26...(6) Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (4.49, 2.55, 39.53 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + HB3 ASP 46 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (2.70, 2.55, 39.53 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 46 + HB3 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 49 - HB3 ASP 46 far 0 81 0 - 7.0-8.3 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 5 100 5 - 5.4-10.2 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 - 6.0-7.7 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 2.5-3.0 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 2.1-3.4 4.1=100 HE ARG 54 - HB2 ASP 47 far 0 100 0 - 7.0-12.2 H ILE 40 - HB2 ASP 47 far 0 71 0 - 8.1-11.0 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 1 assignment used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (2.67, 2.67, 40.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 2132 from cnoeabs.peaks (2.59, 2.67, 40.94 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (7.27, 2.59, 40.94 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.1-3.2 4.1=100 HE ARG 54 - HB3 ASP 47 far 0 100 0 - 7.1-12.2 H ILE 40 - HB3 ASP 47 far 0 71 0 - 8.7-10.6 H ILE 40 - HB3 ASP 24 far 0 35 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 2134 from cnoeabs.peaks (4.39, 2.59, 40.94 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2135 from cnoeabs.peaks (2.67, 2.59, 40.94 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 49 - HB3 ASP 47 far 0 96 0 - 7.8-9.3 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 2.7-2.9 3.0=100 H ASP 46 - HA PHE 48 far 0 100 0 - 6.3-6.8 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 - 5.5-5.8 HB2 PHE 35 - HA PHE 48 far 0 57 0 - 7.4-8.6 HB3 PHE 35 - HA PHE 48 far 0 63 0 - 7.7-9.0 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 2 assignments used, quality = 0.99: * QD PHE 48 + HA PHE 48 OK 99 100 100 99 2.2-2.8 3.7=99 QD TYR 81 - HA PHE 48 far 0 99 0 - 9.2-25.3 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, 2149/1.8=77...(17) H ASP 46 + HB2 PHE 48 OK 86 100 95 90 4.6-5.9 3.5/4407=48, 919/4428=39...(9) 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 10 99 10 - 5.0-7.2 HA ARG 70 - HB2 PHE 48 far 0 63 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 2145 from cnoeabs.peaks (3.13, 3.13, 38.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 48 + HB2 PHE 48 OK 100 100 - 100 Peak 2146 from cnoeabs.peaks (2.88, 3.13, 38.68 ppm; 3.37 A): 2 out of 3 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 OK 60 92 85 77 3.8-5.7 4.0/177=36, 4549/2.5=20...(9) HB2 PHE 35 - HB2 PHE 48 far 0 57 0 - 9.2-11.2 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 2 assignments used, quality = 1.00: * QD PHE 48 + HB2 PHE 48 OK 100 100 100 100 2.3-2.7 2.5=100 QD TYR 81 - HB2 PHE 48 far 0 99 0 - 7.7-24.3 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 3 assignments used, quality = 1.00: * H PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.3-2.8 4.0=86, 641/1.8=85...(14) H ASP 46 - HB3 PHE 48 far 15 100 15 - 4.4-6.3 H PHE 48 - HB2 PHE 35 far 0 55 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2150 from cnoeabs.peaks (4.03, 2.88, 38.68 ppm; 3.86 A): 2 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 OK 20 99 25 82 5.0-6.8 4.8/4475=30, 4.8/4379=24...(11) HA PHE 48 - HB2 PHE 35 far 0 55 0 - 7.4-8.6 HA PHE 48 - HB3 PHE 35 far 0 61 0 - 7.7-9.0 HA ARG 54 - HB3 PHE 35 far 0 41 0 - 9.1-11.5 HA ARG 70 - HB3 PHE 48 far 0 63 0 - 9.4-11.2 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 2 assignments used, quality = 1.00: * HB2 PHE 48 + HB3 PHE 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 48 - HB2 PHE 35 far 0 55 0 - 9.2-11.2 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 4 assignments used, quality = 1.00: * QD PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 48 - HB2 PHE 35 far 0 54 0 - 6.3-7.6 QD PHE 48 - HB3 PHE 35 far 0 60 0 - 6.8-8.4 QD TYR 81 - HB3 PHE 48 far 0 99 0 - 8.0-23.5 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 4 assignments used, quality = 1.00: * HA PHE 48 + QD PHE 48 OK 100 100 100 100 2.2-2.8 3.7=100 HD2 PRO 44 - QD PHE 48 far 10 98 10 - 6.6-7.9 HA ARG 70 - QD PHE 48 far 0 61 0 - 7.6-9.6 HA ARG 54 - QD PHE 48 far 0 77 0 - 9.8-11.0 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 2 assignments used, quality = 1.00: * HB2 PHE 48 + QD PHE 48 OK 100 100 100 100 2.3-2.7 2.5=100 HD2 ARG 82 - QD PHE 48 far 0 74 0 - 8.4-29.3 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 2.3-2.7 2.5=100 HB2 ASN 49 + QD PHE 48 OK 90 91 100 99 3.6-5.2 4.0/180=72, ~4493=46...(10) HB2 PHE 35 - QD PHE 48 poor 11 56 20 - 6.3-7.6 HB3 PHE 35 - QD PHE 48 far 0 61 0 - 6.8-8.4 HB2 ASP 67 - QD PHE 48 far 0 91 0 - 9.6-11.1 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 2.7-2.8 3.0=100 H VAL 45 - HA ASN 49 far 0 68 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 2162 from cnoeabs.peaks (4.14, 4.14, 55.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 49 + HA ASN 49 OK 100 100 - 100 Peak 2163 from cnoeabs.peaks (2.90, 4.14, 55.66 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HA ASN 49 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 PHE 48 - HA ASN 49 far 9 90 10 - 4.3-5.6 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (2.68, 4.14, 55.66 ppm; 3.45 A): 1 out of 4 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 - 7.4-8.8 HB2 ASN 80 - HA ASN 49 far 0 71 0 - 7.5-29.5 HB2 ASP 46 - HA ASN 49 far 0 81 0 - 7.9-8.8 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 1 assignment used, quality = 1.00: * HD21 ASN 49 + HA ASN 49 OK 100 100 100 100 3.4-5.2 4.4=100 Violated in 7 structures by 0.02 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 2.3-4.4 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...(14) H VAL 45 - HB2 ASN 49 far 0 68 0 - 6.2-6.7 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 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (2.90, 2.90, 37.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 49 + HB2 ASN 49 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (2.68, 2.90, 37.13 ppm; 2.96 A): 1 out of 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 - 5.2-6.8 HB2 ASP 47 - HB2 ASN 49 far 0 96 0 - 6.6-8.2 HB2 ASN 80 - HB2 ASN 49 far 0 71 0 - 8.5-29.2 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 3.4-3.7 3.5=100 HE22 GLN 79 - HB2 ASN 49 far 0 100 0 - 9.1-29.3 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (7.83, 2.90, 37.13 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HB2 ASN 49 OK 100 100 100 100 2.1-2.8 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 - 8.0-8.4 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 - 7.2-8.3 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 - 5.4-7.4 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (2.68, 2.68, 37.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 49 + HB3 ASN 49 OK 100 100 - 100 Peak 2177 from cnoeabs.peaks (6.86, 2.68, 37.13 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 49 + HB3 ASN 49 OK 100 100 100 100 3.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (7.83, 2.68, 37.13 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HB3 ASN 49 OK 100 100 100 100 2.6-3.5 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 - 5.7-7.9 Violated in 0 structures by 0.00 A. Peak 2180 from cnoeabs.peaks (3.96, 3.96, 59.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 50 + HA GLU 50 OK 100 100 - 100 HA GLN 61 + HA GLN 61 OK 97 97 - 100 Peak 2181 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 MET 31 + HA GLN 61 OK 38 52 100 73 2.2-4.4 4.3/5079=21, 3162=17...(12) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 8.9-9.7 HG2 PRO 56 - HA GLN 61 far 0 96 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 MET 31 + HA GLN 61 OK 38 52 100 73 2.2-4.4 4.3/5079=21, 3162=17...(12) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 8.9-9.7 HG2 PRO 56 - HA GLN 61 far 0 96 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (2.37, 3.96, 59.12 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-3.7 3.7=100 HB VAL 65 + HA GLN 61 OK 60 81 85 88 4.6-6.2 4721/4.7=40...(12) HG2 GLU 59 - HA GLN 61 far 0 57 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (2.21, 3.96, 59.12 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.6-3.8 3.7=100 Violated in 1 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 2.2-3.4 3.9=61, 656/3.0=45...(14) H GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.1-3.6 3.9=61, 656/3.0=45...(11) H MET 31 - HB2 GLU 25 far 0 56 0 - 8.3-10.3 H MET 31 - HB3 GLU 25 far 0 55 0 - 8.5-9.8 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 16 assignments used, quality = 1.00: * HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.5-2.7 3.0=100 HA3 GLY 21 - HB3 GLU 25 poor 16 66 25 - 2.1-7.7 HA2 GLY 21 - HB2 GLU 25 poor 11 68 40 40 3.7-6.5 3.5/4152=11, 1.8/4151=6...(9) HA3 GLY 21 - HB2 GLU 25 poor 9 67 35 40 2.4-6.7 3.5/4152=11, 5284/3.0=6...(9) HA2 GLY 21 - HB3 GLU 25 poor 9 67 35 39 3.4-7.8 3.5/4152=10, 5284/3.0=6...(9) HA ALA 28 - HB2 GLU 25 far 0 74 0 - 6.4-8.6 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.6-10.0 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 7.1-8.2 HA THR 37 - HB2 GLU 25 far 0 40 0 - 7.3-10.4 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 7.4-12.8 HA VAL 76 - HB2 GLU 25 far 0 75 0 - 8.8-24.1 HA2 GLY 72 - HB3 GLU 25 far 0 74 0 - 9.0-13.0 HA LYS 32 - HB2 GLU 25 far 0 67 0 - 9.1-13.4 HA VAL 76 - HB3 GLU 25 far 0 74 0 - 9.3-24.3 HA LYS 32 - HB3 GLU 25 far 0 66 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Peak 2188 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Reference assignment not found: HB3 GLU 50 - HB2 GLU 50 Peak 2189 from cnoeabs.peaks (2.37, 2.04, 29.07 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.4-3.0 3.0=93, 656/3.9=25...(11) HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.4-3.0 3.0=93, 656/3.9=25...(11) HG2 GLU 19 - HB2 GLU 25 far 2 48 5 - 4.4-15.3 HG3 GLU 19 - HB3 GLU 25 far 2 47 5 - 3.8-17.5 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.8-16.7 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.3-16.0 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 2.2-3.4 3.9=61, 656/3.0=45...(14) * H GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.1-3.6 3.9=61, 656/3.0=45...(11) H MET 31 - HB2 GLU 25 far 0 56 0 - 8.3-10.3 H MET 31 - HB3 GLU 25 far 0 55 0 - 8.5-9.8 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 16 assignments used, quality = 1.00: HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 * HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.5-2.7 3.0=100 HA3 GLY 21 - HB3 GLU 25 poor 16 66 25 - 2.1-7.7 HA2 GLY 21 - HB2 GLU 25 poor 11 68 40 40 3.7-6.5 3.5/4152=11, 1.8/4151=6...(9) HA3 GLY 21 - HB2 GLU 25 poor 9 67 35 40 2.4-6.7 3.5/4152=11, 5284/3.0=6...(9) HA2 GLY 21 - HB3 GLU 25 poor 9 67 35 39 3.4-7.8 3.5/4152=10, 5284/3.0=6...(9) HA ALA 28 - HB2 GLU 25 far 0 74 0 - 6.4-8.6 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.6-10.0 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 7.1-8.2 HA THR 37 - HB2 GLU 25 far 0 40 0 - 7.3-10.4 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 7.4-12.8 HA VAL 76 - HB2 GLU 25 far 0 75 0 - 8.8-24.1 HA2 GLY 72 - HB3 GLU 25 far 0 74 0 - 9.0-13.0 HA LYS 32 - HB2 GLU 25 far 0 67 0 - 9.1-13.4 HA VAL 76 - HB3 GLU 25 far 0 74 0 - 9.3-24.3 HA LYS 32 - HB3 GLU 25 far 0 66 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Reference assignment not found: HB2 GLU 50 - HB3 GLU 50 Peak 2194 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 * HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Peak 2195 from cnoeabs.peaks (2.37, 2.04, 29.07 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.4-3.0 3.0=93, 656/3.9=25...(11) * HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.4-3.0 3.0=93, 656/3.9=25...(11) HG2 GLU 19 - HB2 GLU 25 far 2 48 5 - 4.4-15.3 HG3 GLU 19 - HB3 GLU 25 far 2 47 5 - 3.8-17.5 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.8-16.7 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.3-16.0 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 3.6-4.1 655=100, 656/1.8=82...(7) Violated in 1 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (3.96, 2.37, 36.01 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.7 3.7=100 HA GLN 61 - HG2 GLU 59 far 0 63 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.0-9.6 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 8.8-13.6 HB VAL 45 - HG2 GLU 50 far 0 71 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.0-9.6 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 8.8-13.6 HB VAL 45 - HG2 GLU 50 far 0 71 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (2.37, 2.37, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 50 + HG2 GLU 50 OK 100 100 - 100 HG2 GLU 59 + HG2 GLU 59 OK 32 32 - 100 Peak 2202 from cnoeabs.peaks (2.21, 2.37, 36.01 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (7.73, 2.21, 36.01 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 50 + HG3 GLU 50 OK 100 100 100 100 2.4-3.1 656=100, 655/1.8=81...(6) H ASN 42 - HG2 GLU 19 far 0 69 0 - 7.7-26.5 H MET 31 - HG2 GLU 19 far 0 54 0 - 8.6-21.0 H ASN 42 - HG3 GLU 19 far 0 69 0 - 8.7-26.5 H MET 31 - HG3 GLU 19 far 0 54 0 - 9.5-21.6 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 2.6-3.8 3.7=100 HA3 GLY 21 - HG2 GLU 19 far 10 65 15 - 4.7-9.9 HA3 GLY 21 - HG3 GLU 19 far 6 65 10 - 4.4-10.8 HA2 GLY 21 - HG3 GLU 19 far 3 66 5 - 4.4-10.7 HA2 GLY 21 - HG2 GLU 19 far 3 66 5 - 5.0-10.1 HA LYS 32 - HG2 GLU 19 far 0 65 0 - 6.2-25.2 HA VAL 76 - HG3 GLU 19 far 0 73 0 - 6.3-32.3 HA VAL 76 - HG2 GLU 19 far 0 73 0 - 6.9-31.8 HA LYS 32 - HG3 GLU 19 far 0 65 0 - 7.2-25.8 HA THR 37 - HG2 GLU 19 far 0 39 0 - 7.6-21.6 HA THR 37 - HG3 GLU 19 far 0 39 0 - 8.0-21.8 HA2 GLY 72 - HG3 GLU 19 far 0 73 0 - 8.2-24.5 HA2 GLY 72 - HG2 GLU 19 far 0 73 0 - 8.2-24.0 HA ALA 28 - HG2 GLU 19 far 0 71 0 - 8.5-19.4 HA ALA 28 - HG3 GLU 19 far 0 71 0 - 9.3-19.8 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 17 assignments used, quality = 1.00: * HB2 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.4-3.0 3.0=66, 1.8/2196=27...(7) HB3 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.4-3.0 3.0=66, 1.8/2196=27...(7) HB2 GLU 87 + HG3 GLU 87 OK 73 95 100 77 2.2-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 73 96 100 76 2.5-3.0 3.0=66, 3566/1.8=17...(7) HB3 GLU 19 + HG3 GLU 19 OK 59 73 100 81 2.3-3.0 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 3 63 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 73 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 73 0 - 6.0-34.7 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 6.9-8.1 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 8.6-10.4 HD3 ARG 69 - HG3 GLU 50 far 0 97 0 - 9.8-14.3 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 17 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.4-3.0 3.0=66, 1.8/2196=27...(7) * HB3 GLU 50 + HG3 GLU 50 OK 84 100 100 84 2.4-3.0 3.0=66, 1.8/2196=27...(7) HB2 GLU 87 + HG3 GLU 87 OK 73 95 100 77 2.2-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 73 96 100 76 2.5-3.0 3.0=66, 3566/1.8=17...(7) HB3 GLU 19 + HG3 GLU 19 OK 59 73 100 81 2.3-3.0 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 3 63 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 73 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 73 0 - 6.0-34.7 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 6.9-8.1 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 8.6-10.4 HD3 ARG 69 - HG3 GLU 50 far 0 97 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (2.37, 2.21, 36.01 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 50 + HG3 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2208 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 50 + HG3 GLU 50 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 96 96 - 100 HG3 GLU 87 + HG3 GLU 87 OK 95 95 - 100 HG3 GLU 19 + HG3 GLU 19 OK 46 46 - 100 HG2 GLU 19 + HG2 GLU 19 OK 46 46 - 100 Peak 2209 from cnoeabs.peaks (7.53, 3.89, 57.93 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + HA LEU 51 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 54 + HA LEU 51 OK 98 100 100 98 3.1-3.8 4567=57, 676/5219=41...(15) H LEU 43 - HA LEU 51 far 0 97 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 2210 from cnoeabs.peaks (3.89, 3.89, 57.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 51 + HA LEU 51 OK 100 100 - 100 Peak 2211 from cnoeabs.peaks (1.32, 3.89, 57.93 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 54 + HA LEU 51 OK 86 92 95 98 2.0-5.1 3.0/5220=44, 3.0/5219=41...(17) HB2 LEU 52 - HA LEU 51 far 0 93 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.60, 3.89, 57.93 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 54 + HA LEU 51 OK 74 76 100 98 1.9-4.4 3.0/5219=44, 1.8/4570=38...(17) HD3 LYS 39 - HA LEU 51 far 0 89 0 - 5.7-9.5 HD2 LYS 39 - HA LEU 51 far 0 90 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (0.89, 3.89, 57.93 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + HA LEU 51 OK 100 100 100 100 2.5-3.3 2.1/2245=86, 4.3=71...(17) QD1 LEU 62 - HA LEU 51 far 0 87 0 - 7.6-10.9 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 3.7-4.0 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 2.0-3.0 2245=100, 2.1/2213=50...(22) 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 6 assignments used, quality = 1.00: * H LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.2-3.0 660/1.8=79, 3.9=68...(15) H ARG 54 - HB2 LEU 52 far 0 61 0 - 5.0-5.7 H ARG 54 - HB2 LEU 51 far 0 100 0 - 5.1-5.8 H LEU 51 - HB2 LEU 52 far 0 61 0 - 6.0-6.4 H LEU 43 - HB2 LEU 51 far 0 97 0 - 6.8-8.5 HD21 ASN 80 - HB2 LEU 52 far 0 52 0 - 8.4-30.1 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 - 6.5-6.6 HD2 PRO 36 - HB2 LEU 51 far 0 81 0 - 7.3-10.8 HA ILE 33 - HB2 LEU 52 far 0 60 0 - 8.6-11.4 HA ILE 33 - HB2 LEU 51 far 0 100 0 - 9.7-12.8 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 9 assignments used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 - HB2 LEU 51 far 4 89 5 - 3.9-8.7 HG3 ARG 54 - HB2 LEU 51 far 4 76 5 - 4.3-6.6 HD2 LYS 39 - HB2 LEU 51 far 0 90 0 - 4.8-8.7 HB3 LEU 62 - HB2 LEU 52 far 0 55 0 - 4.9-7.6 HB3 LEU 51 - HB2 LEU 52 far 0 61 0 - 5.6-7.1 HG3 ARG 54 - HB2 LEU 52 far 0 39 0 - 6.5-8.9 HD3 LYS 39 - HB2 LEU 52 far 0 48 0 - 8.7-13.4 HD2 LYS 39 - HB2 LEU 52 far 0 49 0 - 9.8-13.6 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 6 assignments used, quality = 1.00: * HG LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 62 + HB2 LEU 52 OK 46 47 100 99 2.6-5.7 2.1/5004=75, ~4680=40...(15) HG LEU 51 - HB2 LEU 52 poor 18 61 30 - 5.2-6.8 QD1 LEU 62 - HB2 LEU 51 far 0 87 0 - 7.2-11.7 HG12 ILE 68 - HB2 LEU 52 far 0 30 0 - 9.5-14.8 QD1 LEU 86 - HB2 LEU 52 far 0 60 0 - 9.9-36.6 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 2.0-2.8 3.1=100 QD2 LEU 51 + HB2 LEU 52 OK 60 61 100 99 4.7-6.5 198/3.9=74, ~4952=46...(12) 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 2.1-3.2 3.1=100 QD1 LEU 51 - HB2 LEU 52 far 0 61 0 - 6.2-7.4 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 - 5.1-5.9 H LEU 43 - HB3 LEU 51 far 0 97 0 - 6.8-8.5 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 2.5-3.0 3.0=100 HD2 PRO 36 - HB3 LEU 51 far 0 81 0 - 7.9-11.0 HA ILE 33 - HB3 LEU 51 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2225 from cnoeabs.peaks (1.32, 1.60, 41.26 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + HB3 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 54 - HB3 LEU 51 far 5 92 5 - 4.4-7.5 HB2 LEU 52 - HB3 LEU 51 far 0 93 0 - 5.6-7.1 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 3 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 - 7.5-10.5 QG1 VAL 76 - HB3 LEU 51 far 0 60 0 - 9.7-18.0 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 2.1-2.9 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 2.0-3.2 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 4.2-4.6 661=100, 660/3.0=92...(13) H ARG 54 + HG LEU 51 OK 99 100 100 99 4.3-5.6 4567/2213=64...(12) H LEU 43 - HG LEU 51 far 0 97 0 - 8.1-10.0 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 2.5-3.3 4.3=100 HD2 PRO 36 - HG LEU 51 far 0 81 0 - 6.5-9.6 HA ILE 33 - HG LEU 51 far 0 100 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (1.32, 0.89, 26.17 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 51 + HG LEU 51 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 54 + HG LEU 51 OK 77 92 85 99 3.7-7.5 2246/2.1=40...(18) HB2 LEU 52 - HG LEU 51 far 14 93 15 - 5.2-6.8 QB ALA 28 - HG LEU 51 far 0 89 0 - 9.1-10.9 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 4 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 poor 20 89 25 89 4.1-7.4 2240/2.1=21, 3.0/5119=20...(17) HG3 ARG 54 - HG LEU 51 far 8 76 10 - 3.8-7.0 HD2 LYS 39 - HG LEU 51 far 0 90 0 - 5.4-7.8 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): 3 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 ARG 54 + QD2 LEU 51 OK 79 100 80 98 5.4-6.4 4567/4.0=59...(12) H LEU 43 + QD2 LEU 51 OK 59 97 65 94 4.8-6.5 624/4917=66, 623/5641=48...(6) Violated in 0 structures by 0.00 A. Peak 2238 from cnoeabs.peaks (3.89, 0.19, 24.73 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 51 + QD2 LEU 51 OK 100 100 100 100 3.7-4.0 4.0=100 HD2 PRO 36 + QD2 LEU 51 OK 32 81 50 81 4.1-7.0 4.8/4865=38...(8) HA ILE 33 - QD2 LEU 51 far 0 100 0 - 6.7-8.2 Violated in 0 structures by 0.00 A. Peak 2239 from cnoeabs.peaks (1.32, 0.19, 24.73 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.0-2.8 3.1=100 HB2 LEU 52 + QD2 LEU 51 OK 24 93 30 87 4.7-6.5 3.9/198=40, ~4952=24...(12) HG2 ARG 54 - QD2 LEU 51 poor 18 92 20 - 4.9-7.9 QB ALA 28 - QD2 LEU 51 far 0 89 0 - 6.6-8.0 QG2 THR 58 - QD2 LEU 51 far 0 98 0 - 9.0-11.2 QB ALA 12 - QD2 LEU 51 far 0 97 0 - 9.3-25.0 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 2.1-2.9 3.1=100 HD2 LYS 39 + QD2 LEU 51 OK 83 90 95 96 2.6-5.4 3.5/5205=32, 3.5/5204=31...(24) HD3 LYS 39 + QD2 LEU 51 OK 81 89 95 96 1.9-5.2 3.5/5205=32, 3.5/5204=31...(24) HG3 ARG 54 - QD2 LEU 51 far 0 76 0 - 5.1-7.5 HG3 ARG 17 - QD2 LEU 51 far 0 83 0 - 8.3-23.6 HB3 LEU 62 - QD2 LEU 51 far 0 97 0 - 8.3-11.1 HD2 LYS 73 - QD2 LEU 51 far 0 97 0 - 8.4-14.6 HD3 LYS 73 - QD2 LEU 51 far 0 97 0 - 8.8-14.3 HG2 ARG 17 - QD2 LEU 51 far 0 85 0 - 9.6-24.5 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 6 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 - 6.0-9.8 HG12 ILE 68 - QD2 LEU 51 far 0 60 0 - 7.3-11.1 QD1 LEU 86 - QD2 LEU 51 far 0 100 0 - 8.3-27.9 QG1 VAL 76 - QD2 LEU 51 far 0 60 0 - 8.6-14.3 QG2 VAL 76 - QD2 LEU 51 far 0 60 0 - 9.1-16.1 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (0.19, 0.19, 24.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 Peak 2243 from cnoeabs.peaks (0.62, 0.19, 24.73 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (7.53, 0.62, 23.89 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD1 LEU 51 OK 100 100 100 100 3.4-4.3 663=85, 3.0/2245=77...(17) H ARG 54 + QD1 LEU 51 OK 94 100 95 99 4.3-6.0 4567/2245=55...(18) H LEU 43 - QD1 LEU 51 far 0 97 0 - 5.9-7.8 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 2.0-3.0 2215=84, 2213/2.1=44...(22) HD2 PRO 36 - QD1 LEU 51 far 4 81 5 - 4.3-7.1 HA ILE 33 - QD1 LEU 51 far 0 100 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (1.32, 0.62, 23.89 ppm; 3.33 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-3.2 3.1=100 HG2 ARG 54 + QD1 LEU 51 OK 83 92 95 95 3.1-5.8 4570/2245=27...(17) HB2 LEU 52 - QD1 LEU 51 far 0 93 0 - 6.2-7.4 QB ALA 28 - QD1 LEU 51 far 0 89 0 - 7.9-9.6 QB ALA 12 - QD1 LEU 51 far 0 97 0 - 8.4-26.4 QG2 THR 58 - QD1 LEU 51 far 0 98 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2247 from cnoeabs.peaks (1.60, 0.62, 23.89 ppm; 3.54 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.0-3.2 3.1=100 HD3 LYS 39 + QD1 LEU 51 OK 75 89 90 94 2.7-5.5 3.0/6093=24, 2240/2.1=20...(22) HD2 LYS 39 + QD1 LEU 51 OK 68 90 80 94 3.2-5.6 3.0/6093=24, 2240/2.1=21...(22) HG3 ARG 54 + QD1 LEU 51 OK 33 76 45 96 3.3-6.0 1.8/2246=35, 3.0/4519=26...(17) HG3 ARG 17 - QD1 LEU 51 far 0 83 0 - 8.6-24.7 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (0.89, 0.62, 23.89 ppm; 3.05 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - QD1 LEU 51 far 0 87 0 - 7.5-10.1 QD1 LEU 86 - QD1 LEU 51 far 0 100 0 - 9.0-29.3 HG12 ILE 68 - QD1 LEU 51 far 0 60 0 - 9.6-13.4 QG1 VAL 76 - QD1 LEU 51 far 0 60 0 - 9.7-16.4 QG2 VAL 76 - QD1 LEU 51 far 0 60 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (0.19, 0.62, 23.89 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (0.62, 0.62, 23.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + QD1 LEU 51 OK 100 100 - 100 Peak 2251 from cnoeabs.peaks (7.43, 3.81, 57.23 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + HA LEU 52 OK 100 100 100 100 2.8-2.9 3.0=100 HE21 GLN 61 - HA LEU 52 far 0 60 0 - 7.3-9.8 H LEU 64 - HA LEU 52 far 0 97 0 - 9.2-11.5 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 14 93 15 - 4.0-5.7 HG2 ARG 54 - HA LEU 52 far 3 60 5 - 4.5-7.0 QG2 THR 58 - HA LEU 52 far 0 76 0 - 8.3-9.8 QB ALA 28 - HA LEU 52 far 0 100 0 - 9.6-11.0 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 22 100 25 87 4.5-6.5 3.1/4551=49...(10) HG12 ILE 33 - HA LEU 52 far 0 60 0 - 7.7-11.5 QB ALA 63 - HA LEU 52 far 0 95 0 - 9.4-11.3 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 2.7-3.6 3.7=100 QG2 VAL 65 + HA LEU 52 OK 59 89 75 88 3.6-5.8 4726/2287=50...(9) HG13 ILE 33 - HA LEU 52 far 0 73 0 - 8.0-11.9 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 3.7-4.0 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 1.9-2.8 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...(14) H LEU 52 + HB2 LEU 51 OK 61 61 100 100 2.2-4.2 196/1.8=84, 4.6=56...(11) HE21 GLN 61 - HB2 LEU 52 far 0 60 0 - 7.1-10.9 H LEU 64 - HB2 LEU 52 far 0 97 0 - 7.6-10.6 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 9 61 15 - 4.0-5.7 HD2 PRO 14 - HB2 LEU 51 far 0 44 0 - 7.6-33.3 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 7 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 5 100 5 - 4.2-6.5 HB3 LEU 52 - HB2 LEU 51 far 0 61 0 - 4.9-6.9 QB ALA 63 - HB2 LEU 52 far 0 95 0 - 7.6-10.1 HG12 ILE 33 - HB2 LEU 52 far 0 60 0 - 7.9-12.8 HB3 LEU 57 - HB2 LEU 51 far 0 60 0 - 8.2-11.9 HG3 LYS 13 - HB2 LEU 51 far 0 48 0 - 8.6-36.4 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (1.20, 1.33, 40.92 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.9-3.0 3.0=100 QG2 VAL 65 + HB2 LEU 52 OK 58 89 70 94 3.5-6.3 4726/3.1=47, 5315/3.1=33...(11) HG LEU 52 - HB2 LEU 51 poor 12 61 20 - 3.0-5.7 QG2 VAL 65 - HB2 LEU 51 far 0 48 0 - 5.3-9.1 HG13 ILE 33 - HB2 LEU 52 far 0 73 0 - 8.3-13.0 QG2 THR 15 - HB2 LEU 51 far 0 60 0 - 9.8-27.9 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 2.1-2.7 3.1=100 QD1 LEU 52 - HB2 LEU 51 poor 12 61 20 - 4.5-6.7 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (0.51, 1.33, 40.92 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.0-2.6 3.1=100 QD2 LEU 52 + HB2 LEU 51 OK 43 61 75 95 2.1-6.0 4952/3.0=44, 670/4.6=39...(15) 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 3 assignments used, quality = 1.00: * H LEU 52 + HB3 LEU 52 OK 100 100 100 100 2.4-2.8 667=100, 668/3.0=67...(13) HE21 GLN 61 - HB3 LEU 52 far 0 60 0 - 8.9-12.4 H LEU 64 - HB3 LEU 52 far 0 97 0 - 8.9-12.1 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 - 4.9-6.9 HG2 ARG 54 - HB3 LEU 52 far 0 60 0 - 6.5-7.8 QG2 THR 58 - HB3 LEU 52 far 0 76 0 - 9.2-11.1 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 3 assignments used, quality = 1.00: * HG LEU 52 + HB3 LEU 52 OK 100 100 100 100 2.3-2.7 3.0=100 QG2 VAL 65 - HB3 LEU 52 far 13 89 15 - 4.7-7.1 HG13 ILE 33 - HB3 LEU 52 far 0 73 0 - 9.7-14.3 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 2.0-2.5 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 3.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (7.43, 1.20, 26.33 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + HG LEU 52 OK 100 100 100 100 2.0-2.5 668=100, 670/2.1=68...(13) HE21 GLN 61 - HG LEU 52 far 0 60 0 - 8.3-11.8 H LEU 64 - HG LEU 52 far 0 97 0 - 9.4-11.6 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 2.7-3.6 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 5 assignments used, quality = 1.00: * HB2 LEU 52 + HG LEU 52 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LEU 51 - HG LEU 52 poor 19 93 20 - 3.0-5.7 HG2 ARG 54 - HG LEU 52 far 0 60 0 - 6.4-8.6 QG2 THR 58 - HG LEU 52 far 0 76 0 - 9.5-11.7 QB ALA 28 - HG LEU 52 far 0 100 0 - 9.8-11.5 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 4 assignments used, quality = 1.00: * HB3 LEU 52 + HG LEU 52 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LEU 57 - HG LEU 52 far 0 100 0 - 6.7-8.7 HG12 ILE 33 - HG LEU 52 far 0 60 0 - 9.0-12.6 QB ALA 63 - HG LEU 52 far 0 95 0 - 9.1-11.3 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 2.9-3.9 669=100, 668/2.1=89...(13) H LEU 64 - QD1 LEU 52 far 0 97 0 - 6.0-8.5 HE21 GLN 61 - QD1 LEU 52 far 0 60 0 - 6.7-10.0 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 3.7-4.0 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 2.1-2.7 3.1=100 HB2 LEU 51 - QD1 LEU 52 far 14 93 15 - 4.5-6.7 HG2 ARG 54 - QD1 LEU 52 far 0 60 0 - 7.0-8.8 QG2 THR 58 - QD1 LEU 52 far 0 76 0 - 7.7-9.3 QB ALA 28 - QD1 LEU 52 far 0 100 0 - 8.1-10.1 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 5 assignments used, quality = 1.00: * HB3 LEU 52 + QD1 LEU 52 OK 100 100 100 100 2.0-2.5 3.1=100 HB3 LEU 57 - QD1 LEU 52 far 5 100 5 - 5.0-6.9 QB ALA 63 - QD1 LEU 52 far 0 95 0 - 6.0-7.8 HG12 ILE 33 - QD1 LEU 52 far 0 60 0 - 6.6-10.8 HG2 LYS 73 - QD1 LEU 52 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (1.20, 0.44, 24.59 ppm; 3.32 A): 2 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 OK 78 89 90 97 2.3-5.0 4726/2.1=50, 2.1/5314=41...(19) HG13 ILE 33 - QD1 LEU 52 far 0 73 0 - 6.4-11.3 QG2 THR 37 - QD1 LEU 52 far 0 73 0 - 9.0-10.6 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 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (7.43, 0.51, 22.90 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD2 LEU 52 OK 100 100 100 100 2.4-3.9 670=100, 668/2.1=86...(15) HE21 GLN 61 - QD2 LEU 52 far 3 60 5 - 5.4-7.9 H LEU 64 - QD2 LEU 52 far 0 97 0 - 6.8-8.2 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 1.9-2.8 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): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 52 + QD2 LEU 52 OK 100 100 100 100 2.0-2.6 3.1=100 HB2 LEU 51 + QD2 LEU 52 OK 57 93 70 87 2.1-6.0 3.0/4952=35, 4.6/670=29...(13) HG2 ARG 54 - QD2 LEU 52 far 0 60 0 - 5.6-7.6 QG2 THR 58 - QD2 LEU 52 far 0 76 0 - 6.4-8.6 QB ALA 28 - QD2 LEU 52 far 0 100 0 - 6.7-8.2 QB ALA 16 - QD2 LEU 52 far 0 73 0 - 8.9-17.4 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 3.0-3.2 3.1=100 HB3 LEU 57 + QD2 LEU 52 OK 68 100 70 98 3.8-5.9 3.1/4554=60, 3.1/5751=34...(18) HG12 ILE 33 - QD2 LEU 52 far 0 60 0 - 5.6-8.7 QB ALA 63 - QD2 LEU 52 far 0 95 0 - 6.6-8.4 HG2 LYS 73 - QD2 LEU 52 far 0 100 0 - 9.5-13.0 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 86 89 100 96 1.8-3.6 4726=45, 2.1/4728=44...(20) HG13 ILE 33 - QD2 LEU 52 far 0 73 0 - 5.4-9.0 QG2 THR 37 - QD2 LEU 52 far 0 73 0 - 7.7-9.2 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 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (0.51, 0.51, 22.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + QD2 LEU 52 OK 100 100 - 100 Peak 2293 from cnoeabs.peaks (7.22, 4.16, 52.94 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + HA ALA 53 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2294 from cnoeabs.peaks (4.16, 4.16, 52.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 53 + HA ALA 53 OK 100 100 - 100 Peak 2295 from cnoeabs.peaks (1.39, 4.16, 52.94 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 53 + HA ALA 53 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (7.22, 1.39, 18.28 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + QB ALA 53 OK 100 100 100 100 2.1-2.2 2.9=100 H ILE 40 - QB ALA 78 far 0 38 0 - 9.4-19.7 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 7 assignments used, quality = 1.00: * HA ALA 53 + QB ALA 53 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 82 - QB ALA 78 far 0 52 0 - 4.5-10.9 HA LYS 73 - QB ALA 78 far 0 52 0 - 4.6-14.2 HA ASN 49 - QB ALA 53 far 0 71 0 - 4.9-5.8 HA ARG 84 - QB ALA 78 far 0 41 0 - 7.8-13.6 HA ASN 49 - QB ALA 78 far 0 35 0 - 9.4-22.7 HA ILE 89 - QB ALA 78 far 0 58 0 - 9.5-26.1 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 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (4.01, 4.01, 57.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 54 + HA ARG 54 OK 100 100 - 100 Peak 2301 from cnoeabs.peaks (1.76, 4.01, 57.13 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 54 + HA ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 57 - HA ARG 54 far 0 100 0 - 7.5-10.2 HB2 PRO 34 - HA ARG 54 far 0 93 0 - 7.8-10.7 HG2 PRO 34 - HA ARG 54 far 0 99 0 - 7.8-10.2 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 2.4-2.7 3.0=100 HG3 ARG 54 + HA ARG 54 OK 62 63 100 99 2.1-4.0 3.7=70, 1.8/2324=60...(25) HG LEU 62 - HA ARG 54 far 0 87 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (1.31, 4.01, 57.13 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 54 + HA ARG 54 OK 100 100 100 100 2.3-3.7 2324=100, 1.8/2332=75...(28) HB2 LEU 51 - HA ARG 54 far 0 92 0 - 7.3-8.2 HB2 LEU 52 - HA ARG 54 far 0 60 0 - 7.7-8.2 Violated in 2 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 2.1-4.0 2332=75, 1.8/2324=60...(27) HB3 ARG 54 + HA ARG 54 OK 63 63 100 100 2.4-2.7 3.0=100 HB3 LEU 51 - HA ARG 54 far 0 76 0 - 7.5-8.3 HG LEU 62 - HA ARG 54 far 0 97 0 - 9.3-11.9 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 3.0-4.6 3.0/2332=75, 3.0/2324=74...(28) * HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 3.4-5.5 3.0/2332=75, 3.0/2324=74...(28) Violated in 1 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 3.0-4.6 3.0/2332=75, 3.0/2324=74...(28) HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 3.4-5.5 3.0/2332=75, 3.0/2324=74...(28) Violated in 1 structures by 0.00 A. Peak 2307 from cnoeabs.peaks (7.53, 1.76, 30.94 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.2-3.0 676=100, 2315/1.8=64...(19) H LEU 51 + HB2 ARG 54 OK 24 100 25 95 4.5-5.7 3.0/5219=43, ~5220=29...(15) H ARG 54 - HB2 PRO 34 far 0 51 0 - 6.9-9.8 H LEU 51 - HB2 PRO 34 far 0 51 0 - 9.3-12.5 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 5 assignments used, quality = 1.00: * HA ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 48 - HB2 ARG 54 far 0 81 0 - 7.1-9.0 HA ARG 54 - HB2 PRO 34 far 0 51 0 - 7.8-10.7 HB2 SER 22 - HB3 ARG 17 far 0 49 0 - 9.4-17.1 HA PHE 48 - HB2 PRO 34 far 0 35 0 - 9.8-13.0 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 9 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 2.2-2.9 3.0=71, ~2326=19...(22) HB3 ARG 54 - HB2 PRO 34 far 0 51 0 - 6.5-9.9 HG2 LYS 39 - HB2 PRO 34 far 0 51 0 - 6.8-10.3 HG2 LYS 39 - HB2 ARG 54 far 0 100 0 - 7.8-11.1 HG3 ARG 54 - HB2 PRO 34 far 0 26 0 - 8.2-11.7 HG2 LYS 39 - HB3 ARG 17 far 0 49 0 - 9.4-27.3 HG LEU 62 - HB2 ARG 54 far 0 87 0 - 9.5-11.5 HG LEU 62 - HB2 PRO 34 far 0 39 0 - 9.7-11.5 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 77 92 85 99 4.4-6.9 3.0/5219=53, ~5220=36...(22) HG2 LYS 32 - HB2 PRO 34 far 0 32 0 - 6.6-10.7 HG2 LYS 32 - HB3 ARG 17 far 0 31 0 - 6.6-27.4 HB2 LEU 52 - HB2 ARG 54 far 0 60 0 - 6.7-8.2 QG2 THR 58 - HB2 PRO 34 far 0 50 0 - 6.9-10.1 HB2 LEU 51 - HB2 PRO 34 far 0 42 0 - 7.1-11.0 HG2 ARG 54 - HB2 PRO 34 far 0 51 0 - 7.4-11.5 HG3 LYS 32 - HB3 ARG 17 far 0 32 0 - 7.7-27.7 HB2 LEU 52 - HB2 PRO 34 far 0 24 0 - 8.0-10.6 QB ALA 12 - HB3 ARG 17 far 0 27 0 - 8.1-16.4 HG3 LYS 32 - HB2 PRO 34 far 0 34 0 - 8.3-10.8 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 18 assignments used, quality = 0.99: * HG3 ARG 54 + HB2 ARG 54 OK 97 100 100 97 2.2-2.9 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 29 - HB3 ARG 17 far 0 49 0 - 4.8-24.4 HB3 LEU 51 - HB2 ARG 54 far 0 76 0 - 4.9-6.5 HD3 LYS 39 - HB2 PRO 34 far 0 50 0 - 6.0-10.3 HB3 ARG 54 - HB2 PRO 34 far 0 26 0 - 6.5-9.9 HD2 LYS 39 - HB2 PRO 34 far 0 49 0 - 6.7-11.4 HG2 LYS 39 - HB2 PRO 34 far 0 26 0 - 6.8-10.3 HD2 LYS 39 - HB3 ARG 17 far 0 47 0 - 6.8-25.4 HD3 LYS 39 - HB3 ARG 17 far 0 48 0 - 7.0-25.7 HD3 LYS 39 - HB2 ARG 54 far 0 99 0 - 7.1-12.6 HB3 LEU 51 - HB2 PRO 34 far 0 32 0 - 7.1-11.1 HG2 LYS 39 - HB2 ARG 54 far 0 63 0 - 7.8-11.1 HG3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.2-11.7 HD2 LYS 39 - HB2 ARG 54 far 0 99 0 - 8.7-13.3 HG2 LYS 39 - HB3 ARG 17 far 0 25 0 - 9.4-27.3 HG LEU 62 - HB2 ARG 54 far 0 97 0 - 9.5-11.5 HG LEU 62 - HB2 PRO 34 far 0 47 0 - 9.7-11.5 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 2.9-4.1 3.6=100 HD3 ARG 54 + HB2 ARG 54 OK 100 100 100 100 3.0-4.1 3.6=100 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 7.9-12.4 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.1-11.2 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 3.0-4.1 3.6=100 HD2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.9-4.1 3.6=100 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 7.9-12.4 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.1-11.2 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 3.5-3.8 676/1.8=88, 4.1=77...(16) H LEU 51 - HB3 ARG 54 far 0 100 0 - 6.1-7.0 Violated in 1 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 2.4-2.7 3.0=100 HA PHE 48 - HB3 ARG 54 far 0 81 0 - 8.7-9.9 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 6 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 - 6.5-9.9 HG2 PRO 34 - HB3 ARG 54 far 0 99 0 - 7.3-10.0 HB2 LEU 57 - HB3 ARG 54 far 0 100 0 - 8.1-11.1 HB3 LYS 39 - HB3 ARG 54 far 0 89 0 - 9.5-13.3 HB2 LYS 13 - HB3 ARG 54 far 0 73 0 - 9.6-36.5 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 2.5-2.9 3.0=100 HB2 LEU 51 - HB3 ARG 54 far 0 92 0 - 5.7-7.6 HB2 LEU 52 - HB3 ARG 54 far 0 60 0 - 8.2-8.9 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 1.9-3.6 3.6=100 HD3 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.2-3.3 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 2.2-3.3 3.6=100 HD2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 1.9-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2323 from cnoeabs.peaks (7.53, 1.31, 27.15 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.4-3.4 676/3.0=77, 3.0/2324=68...(20) H LEU 51 + HG2 ARG 54 OK 89 100 90 99 3.9-6.3 3.0/4570=49, 659=36...(17) Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (4.01, 1.31, 27.15 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.3-3.7 2303=97, 2332/1.8=74...(28) HA PHE 48 - HG2 ARG 54 far 0 81 0 - 6.8-9.5 Violated in 6 structures by 0.01 A. Peak 2325 from cnoeabs.peaks (1.76, 1.31, 27.15 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 57 - HG2 ARG 54 far 0 100 0 - 6.7-11.7 HG2 PRO 34 - HG2 ARG 54 far 0 99 0 - 7.4-11.0 HB2 PRO 34 - HG2 ARG 54 far 0 93 0 - 7.4-11.5 HB3 LYS 39 - HG2 ARG 54 far 0 89 0 - 8.7-13.7 HB2 LYS 13 - HG2 ARG 54 far 0 73 0 - 9.0-37.8 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 2.5-2.9 3.0=85, 3.0/2324=32...(24) 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 - 8.1-12.4 HG LEU 62 - HG2 ARG 54 far 0 87 0 - 8.8-12.8 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 97 2.5-2.9 3.0=73, 3.0/2324=28...(22) HB3 LEU 51 - HG2 ARG 54 far 0 76 0 - 4.4-7.5 HD3 LYS 39 - HG2 ARG 54 far 0 99 0 - 7.3-13.9 HG2 LYS 39 - HG2 ARG 54 far 0 63 0 - 8.1-12.4 HD2 LYS 39 - HG2 ARG 54 far 0 99 0 - 8.7-14.1 HG LEU 62 - HG2 ARG 54 far 0 97 0 - 8.8-12.8 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 2.5-3.0 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 2.5-3.0 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 6 assignments used, quality = 1.00: * H ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.3-3.5 676/3.0=72, 3.0/2332=64...(19) H LEU 51 + HG3 ARG 54 OK 43 100 45 96 3.8-6.1 3.0/4572=37, 659/1.8=37...(16) H ARG 54 - HG LEU 62 far 0 90 0 - 7.0-9.7 HD21 ASN 80 - HG2 ARG 84 far 0 69 0 - 7.1-14.0 H LEU 51 - HG LEU 62 far 0 90 0 - 8.2-11.1 HD21 ASN 80 - HG3 ARG 84 far 0 69 0 - 8.7-15.3 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 9 assignments used, quality = 1.00: * HA ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.1-4.0 3.7=93, 2324/1.8=72...(27) HB2 SER 22 - HG3 ARG 84 far 4 81 5 - 4.9-36.7 HB2 SER 22 - HG2 ARG 84 far 0 81 0 - 6.1-36.1 HA ARG 70 - HG2 ARG 84 far 0 79 0 - 6.4-29.3 HA PHE 48 - HG3 ARG 54 far 0 81 0 - 7.0-9.3 HA ARG 70 - HG3 ARG 84 far 0 79 0 - 7.1-30.5 HB2 SER 22 - HG LEU 86 far 0 69 0 - 8.8-44.7 HA PHE 48 - HG LEU 62 far 0 67 0 - 9.0-11.9 HA ARG 54 - HG LEU 62 far 0 90 0 - 9.3-11.9 Violated in 2 structures by 0.03 A. Peak 2333 from cnoeabs.peaks (1.76, 1.58, 27.15 ppm; 2.61 A): 3 out of 26 assignments used, quality = 1.00: * HB2 ARG 54 + HG3 ARG 54 OK 96 100 100 96 2.2-2.9 3.0=69, 3.0/2332=27...(24) HB2 LEU 62 + HG LEU 62 OK 69 71 100 97 2.4-2.9 3.0=68, 1.8/3523=22...(25) HB2 LEU 57 + HG LEU 62 OK 61 90 90 75 2.2-4.4 4982=19, 1.8/4983=16...(13) HB3 ARG 82 - HG2 ARG 84 far 8 81 10 - 3.3-9.4 HB2 LYS 83 - HG2 ARG 84 far 7 68 10 - 3.6-6.9 HB3 ARG 82 - HG3 ARG 84 far 4 81 5 - 4.1-9.8 HB2 LYS 83 - HG3 ARG 84 far 3 68 5 - 3.1-7.8 HG3 ARG 26 - HG LEU 86 far 0 56 0 - 5.8-48.9 HG3 ARG 26 - HG2 ARG 84 far 0 66 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 66 0 - 6.2-41.1 HB ILE 33 - HG LEU 86 far 0 69 0 - 6.7-46.0 HB2 LEU 57 - HG3 ARG 54 far 0 100 0 - 7.1-11.3 HG2 PRO 34 - HG LEU 62 far 0 88 0 - 7.3-9.6 HG2 PRO 34 - HG3 ARG 54 far 0 99 0 - 7.9-11.3 HB3 LYS 73 - HG2 ARG 84 far 0 73 0 - 8.2-24.6 HB2 PRO 34 - HG3 ARG 54 far 0 93 0 - 8.2-11.7 HB3 ARG 82 - HG LEU 86 far 0 70 0 - 8.5-17.1 HB2 LYS 83 - HG LEU 86 far 0 57 0 - 8.7-15.3 HB3 LYS 39 - HG LEU 86 far 0 56 0 - 8.9-41.6 HB3 LYS 73 - HG3 ARG 84 far 0 73 0 - 9.0-25.7 HB2 LEU 62 - HG LEU 86 far 0 53 0 - 9.3-47.1 HG3 ARG 71 - HG3 ARG 84 far 0 71 0 - 9.3-35.7 HB3 LYS 39 - HG3 ARG 54 far 0 89 0 - 9.4-15.1 HB2 ARG 54 - HG LEU 62 far 0 90 0 - 9.5-11.5 HB2 PRO 34 - HG LEU 62 far 0 80 0 - 9.7-11.5 HG3 ARG 71 - HG2 ARG 84 far 0 71 0 - 9.8-34.7 Violated in 0 structures by 0.00 A. Peak 2334 from cnoeabs.peaks (1.55, 1.58, 27.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HG LEU 62 + HG LEU 62 OK 73 73 - 100 HG3 ARG 54 + HG3 ARG 54 OK 63 63 - 100 Reference assignment not found: HB3 ARG 54 - HG3 ARG 54 Peak 2335 from cnoeabs.peaks (1.31, 1.58, 27.15 ppm; 2.83 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 52 + HG LEU 62 OK 23 49 65 73 2.1-5.2 5004/2.1=19, ~4680=14...(16) HB2 LEU 51 - HG3 ARG 54 far 5 92 5 - 4.3-6.6 QG2 THR 58 - HG LEU 62 far 0 88 0 - 5.6-7.5 HB2 LEU 52 - HG3 ARG 54 far 0 60 0 - 6.5-8.9 HB2 LEU 51 - HG LEU 62 far 0 78 0 - 7.4-12.6 HG2 ARG 54 - HG LEU 62 far 0 90 0 - 8.8-12.8 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 4 assignments used, quality = 1.00: * HD2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 TYR 81 - HG3 ARG 84 far 4 80 5 - 4.6-11.7 HB2 TYR 81 - HG2 ARG 84 far 0 80 0 - 6.3-12.0 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 4 assignments used, quality = 1.00: * HD3 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 TYR 81 - HG3 ARG 84 far 4 80 5 - 4.6-11.7 HB2 TYR 81 - HG2 ARG 84 far 0 80 0 - 6.3-12.0 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (7.53, 3.03, 43.51 ppm; 4.71 A): 3 out of 4 assignments used, quality = 1.00: * H ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.7-5.3 676/3.6=81, 2315/3.6=72...(20) H ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.6-5.2 676/3.6=81, 2315/3.6=72...(20) H LEU 51 + HD2 ARG 54 OK 54 100 55 98 5.2-6.8 3.0/4571=38, 659/3.0=36...(13) H LEU 51 - HD3 ARG 54 far 10 100 10 - 5.8-7.7 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 3.0-4.6 2332/3.0=71, 2324/3.0=70...(28) * HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.4-5.5 2332/3.0=71, 2324/3.0=70...(28) HA PHE 48 - HD2 ARG 54 far 0 81 0 - 7.3-9.5 HA PHE 48 - HD3 ARG 54 far 0 81 0 - 8.5-10.2 Violated in 2 structures by 0.01 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 2.9-4.1 3.6=100 HB2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 3.0-4.1 3.6=100 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 7.9-12.4 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 8.1-11.2 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 8.6-14.2 HB2 LEU 57 - HD2 ARG 54 far 0 100 0 - 8.6-13.5 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 8.7-12.5 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 8.7-11.1 HB2 LYS 13 - HD3 ARG 54 far 0 73 0 - 8.7-38.2 HB2 LEU 57 - HD3 ARG 54 far 0 100 0 - 8.7-13.0 HB2 LYS 13 - HD2 ARG 54 far 0 73 0 - 9.5-39.6 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 6 assignments used, quality = 1.00: HB3 ARG 54 + HD3 ARG 54 OK 99 100 100 99 2.2-3.3 3.6=71, 2326/3.0=36...(22) * HB3 ARG 54 + HD2 ARG 54 OK 99 100 100 99 1.9-3.6 3.6=71, 2326/3.0=36...(22) HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.2-3.0 3.0=100 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 6.7-13.3 HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 8.3-13.6 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 7 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 2.5-3.0 3.0=100 HB2 LEU 51 - HD2 ARG 54 far 5 92 5 - 4.1-7.4 HB2 LEU 51 - HD3 ARG 54 far 0 92 0 - 5.4-8.4 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 8.5-10.5 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 9.1-10.5 QB ALA 12 - HD3 ARG 54 far 0 68 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.13 A): 4 out of 12 assignments used, quality = 1.00: * HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 54 + HD2 ARG 54 OK 61 63 100 97 1.9-3.6 3.6=64, 2328/3.0=22...(22) HB3 ARG 54 + HD3 ARG 54 OK 61 63 100 97 2.2-3.3 3.6=64, 2328/3.0=22...(22) HB3 LEU 51 - HD2 ARG 54 far 4 76 5 - 4.5-7.7 HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 6.2-8.3 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 6.7-13.3 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.7-11.9 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 8.1-12.4 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 8.3-13.6 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 8.8-13.0 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 9.3-13.4 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): 3 out of 4 assignments used, quality = 1.00: * H ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.6-5.2 676/3.6=81, 2315/3.6=72...(20) H ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.7-5.3 676/3.6=81, 2315/3.6=72...(20) H LEU 51 + HD2 ARG 54 OK 54 100 55 98 5.2-6.8 3.0/4571=38, 659/3.0=36...(13) H LEU 51 - HD3 ARG 54 far 10 100 10 - 5.8-7.7 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 3.0-4.6 2332/3.0=71, 2324/3.0=70...(28) HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 3.4-5.5 2332/3.0=71, 2324/3.0=70...(28) HA PHE 48 - HD2 ARG 54 far 0 81 0 - 7.3-9.5 HA PHE 48 - HD3 ARG 54 far 0 81 0 - 8.5-10.2 Violated in 2 structures by 0.01 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 3.0-4.1 3.6=100 HB2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.9-4.1 3.6=100 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 7.9-12.4 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 8.1-11.2 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 8.6-14.2 HB2 LEU 57 - HD2 ARG 54 far 0 100 0 - 8.6-13.5 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 8.7-12.5 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 8.7-11.1 HB2 LYS 13 - HD3 ARG 54 far 0 73 0 - 8.7-38.2 HB2 LEU 57 - HD3 ARG 54 far 0 100 0 - 8.7-13.0 HB2 LYS 13 - HD2 ARG 54 far 0 73 0 - 9.5-39.6 Violated in 0 structures by 0.00 A. Peak 2350 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 6 assignments used, quality = 1.00: * HB3 ARG 54 + HD3 ARG 54 OK 99 100 100 99 2.2-3.3 3.6=71, 2326/3.0=36...(22) HB3 ARG 54 + HD2 ARG 54 OK 99 100 100 99 1.9-3.6 3.6=71, 2326/3.0=36...(22) HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 6.7-13.3 HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 8.3-13.6 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 7 assignments used, quality = 1.00: * HG2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HD2 ARG 54 far 5 92 5 - 4.1-7.4 HB2 LEU 51 - HD3 ARG 54 far 0 92 0 - 5.4-8.4 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 8.5-10.5 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 9.1-10.5 QB ALA 12 - HD3 ARG 54 far 0 68 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.13 A): 4 out of 12 assignments used, quality = 1.00: * HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 61 63 100 97 2.2-3.3 3.6=64, 2328/3.0=22...(22) HB3 ARG 54 + HD2 ARG 54 OK 61 63 100 97 1.9-3.6 3.6=64, 2328/3.0=22...(22) HB3 LEU 51 - HD2 ARG 54 far 4 76 5 - 4.5-7.7 HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 6.2-8.3 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 6.7-13.3 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.7-11.9 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 8.1-12.4 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 8.3-13.6 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 8.8-13.0 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 9.3-13.4 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 3 assignments used, quality = 1.00: * HB3 TYR 55 + HA TYR 55 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 PHE 35 - HA TYR 55 far 0 60 0 - 7.3-8.9 HE3 LYS 13 - HA TYR 55 far 0 65 0 - 9.4-32.6 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 2.4-3.1 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 2.2-2.9 3.8=100 H GLN 61 - HB2 TYR 55 far 0 99 0 - 9.4-11.0 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 4 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 - 5.3-7.0 HE3 LYS 13 - HB2 TYR 55 far 0 65 0 - 9.2-30.2 HE2 LYS 32 - HB2 TYR 55 far 0 93 0 - 9.5-16.3 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 2.3-2.8 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 3.5-3.9 3.8=100 H GLN 61 - HB3 TYR 55 far 0 99 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (4.90, 2.94, 40.22 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + HB3 TYR 55 OK 100 100 100 100 2.3-2.7 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): 2 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 OK 39 92 65 66 5.6-8.3 4672/4604=31...(6) 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 2.3-2.7 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 2.1-3.3 4.4=100 H GLN 61 - QD TYR 55 far 0 99 0 - 9.5-11.8 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 2.4-3.1 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 2.3-2.8 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 6 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.7 2.5=100 HB3 PHE 35 + QD TYR 55 OK 60 60 100 100 4.4-5.5 2.6/4629=86, 4.5/4658=56...(13) HE3 LYS 13 - QD TYR 55 far 0 65 0 - 6.7-28.7 HE2 LYS 13 - QD TYR 55 far 0 63 0 - 8.0-27.9 HE3 LYS 32 - QD TYR 55 far 0 92 0 - 8.1-13.3 HE2 LYS 32 - QD TYR 55 far 0 93 0 - 8.1-13.6 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (6.81, 7.34, 134.10 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 61 - QD TYR 55 far 0 92 0 - 6.3-7.8 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): 4 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 * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-4.0 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 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 4 assignments used, quality = 1.00: HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 * HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-4.0 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 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 4 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 99 99 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 4 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 OK 100 100 100 100 3.9-4.0 3.0=100 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): 4 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 HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-4.0 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 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 4 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.9 3.0=100 HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-4.0 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 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 4 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 99 99 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2390 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 4 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 OK 100 100 100 100 3.9-4.0 3.0=100 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): 2 out of 3 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 OK 73 100 100 73 3.9-4.0 3.8=48, 1.8/2396=27...(4) HB2 GLU 59 - HA PRO 56 far 0 100 0 - 10.0-12.1 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 2 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 80 99 100 80 3.9-4.0 3.8=60, 1.8/2397=32...(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 2 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 80 100 100 80 3.9-4.0 3.8=60, 1.8/2397=32...(4) Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (2.09, 4.67, 61.99 ppm; 3.02 A): 2 out of 3 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 OK 73 100 100 73 3.9-4.0 3.8=48, 1.8/2396=27...(4) HB2 GLU 59 - HA PRO 56 far 0 100 0 - 10.0-12.1 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 2 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 Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (2.04, 2.09, 29.60 ppm; 2.48 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (2.09, 2.09, 29.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Reference assignment not found: HG3 PRO 56 - HB2 PRO 56 Peak 2405 from cnoeabs.peaks (3.70, 2.09, 29.60 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.9 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 6 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 36 - HB2 GLU 25 far 0 54 0 - 8.3-13.6 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 8.6-13.5 HG3 PRO 36 - HB3 GLU 25 far 0 52 0 - 9.0-12.9 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 9.1-12.8 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 6 assignments used, quality = 1.00: * HG3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 36 - HB2 GLU 25 far 0 56 0 - 8.3-13.6 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 8.6-13.5 HG3 PRO 36 - HB3 GLU 25 far 0 54 0 - 9.0-12.9 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 9.1-12.8 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 - 9.4-14.2 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 - 9.4-14.2 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 3 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 - 8.9-10.3 HA ASN 42 - HG3 PRO 36 far 0 72 0 - 8.9-11.6 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 - 6.7-22.6 HB3 GLU 19 - HG2 PRO 36 far 0 72 0 - 7.9-23.5 HB2 GLU 25 - HG3 PRO 36 far 0 51 0 - 8.3-13.6 HB2 GLU 25 - HG2 PRO 36 far 0 51 0 - 8.6-13.5 HB3 GLU 25 - HG3 PRO 36 far 0 49 0 - 9.0-12.9 HB3 GLU 25 - HG2 PRO 36 far 0 50 0 - 9.1-12.8 HB2 GLU 87 - HG2 PRO 36 far 0 75 0 - 10.0-44.8 HB VAL 76 - HG2 PRO 36 far 0 66 0 - 10.0-23.0 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 - 6.7-22.6 HB3 GLU 19 - HG2 PRO 36 far 0 75 0 - 7.9-23.5 HB2 GLU 25 - HG3 PRO 36 far 0 61 0 - 8.3-13.6 HB2 GLU 25 - HG2 PRO 36 far 0 62 0 - 8.6-13.5 HB3 GLU 25 - HG3 PRO 36 far 0 60 0 - 9.0-12.9 HB3 GLU 25 - HG2 PRO 36 far 0 60 0 - 9.1-12.8 HB2 GLU 87 - HG2 PRO 36 far 0 73 0 - 10.0-44.8 HB VAL 76 - HG2 PRO 36 far 0 72 0 - 10.0-23.0 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 2.3-2.5 3.0=100 HG12 ILE 33 - HA LEU 57 far 0 73 0 - 6.2-9.9 HB3 LEU 52 - HA LEU 57 far 0 100 0 - 7.9-9.3 QB ALA 63 - HA LEU 57 far 0 87 0 - 8.3-9.1 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 2.5-3.0 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 - 5.8-7.2 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 4 assignments used, quality = 1.00: * HB3 LEU 57 + HB2 LEU 57 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 52 - HB2 LEU 57 far 0 100 0 - 5.0-6.9 HG12 ILE 33 - HB2 LEU 57 far 0 73 0 - 6.9-10.4 QB ALA 63 - HB2 LEU 57 far 0 87 0 - 7.5-8.9 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 - 7.8-9.8 HB3 ARG 66 - HB2 LEU 57 far 0 95 0 - 8.0-10.7 HB2 MET 31 - HB2 LEU 57 far 0 85 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (0.71, 1.77, 44.00 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 ILE 33 - HB2 LEU 57 far 10 100 10 - 5.5-7.5 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 3.6-3.8 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 2.3-2.5 3.0=100 HB THR 58 - HB3 LEU 57 far 10 100 10 - 5.7-6.4 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 47 83 60 95 3.2-5.5 3.1/4599=30, 3.0/4983=26...(21) HG2 PRO 34 - HB3 LEU 57 far 10 99 10 - 4.5-6.1 HB2 LYS 32 - HB3 LEU 57 far 0 99 0 - 6.1-11.8 HB2 PRO 34 - HB3 LEU 57 far 0 95 0 - 6.5-8.4 HB3 LYS 32 - HB3 LEU 57 far 0 99 0 - 7.6-12.6 HB ILE 33 - HB3 LEU 57 far 0 100 0 - 8.0-9.6 HB2 ARG 54 - HB3 LEU 57 far 0 100 0 - 9.0-10.5 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 - 6.8-8.1 HB2 MET 31 - HB3 LEU 57 far 0 85 0 - 7.2-9.7 HB3 ARG 66 - HB3 LEU 57 far 0 95 0 - 8.0-10.8 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 81 100 90 91 4.3-6.1 4221/3.1=43, ~4612=25...(15) Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (1.00, 1.47, 44.00 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.3-2.6 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 2.1-2.7 692=100, 693/2.1=74...(10) 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 3.0-3.5 3.7=100 HB THR 58 - HG LEU 57 far 0 100 0 - 7.5-8.6 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 91 99 95 97 2.5-5.6 ~4603=39, ~4605=36...(17) HB2 PRO 34 - HG LEU 57 poor 19 95 20 - 4.5-7.1 HB2 LEU 62 - HG LEU 57 far 0 83 0 - 6.0-8.4 HB2 ARG 54 - HG LEU 57 far 0 100 0 - 6.7-8.6 HB2 LYS 32 - HG LEU 57 far 0 99 0 - 7.6-10.7 HB ILE 33 - HG LEU 57 far 0 100 0 - 7.8-10.3 HB3 LYS 32 - HG LEU 57 far 0 99 0 - 8.6-11.9 HB3 LYS 39 - HG LEU 57 far 0 90 0 - 9.0-14.7 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (1.47, 1.95, 26.44 ppm; 4.40 A): 2 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 OK 55 100 55 100 5.1-7.1 ~4986=51, 6098/2.1=47...(17) HG12 ILE 33 - HG LEU 57 far 0 73 0 - 6.5-10.2 QB ALA 63 - HG LEU 57 far 0 87 0 - 9.2-10.0 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 10 100 10 - 5.0-7.4 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 3.2-3.8 693=100, 692/2.1=97...(12) Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (4.76, 0.71, 23.03 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.98: * HA LEU 57 + QD2 LEU 57 OK 98 100 100 98 2.0-2.5 4.0=59, 3.0/693=47...(13) HB THR 58 - QD2 LEU 57 far 0 100 0 - 6.2-7.1 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 11 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 1.9-3.0 2.3/4603=55, 2.3/4605=49...(22) HB2 PRO 34 + QD2 LEU 57 OK 90 95 100 95 3.6-4.6 3.0/4603=48, 3.0/4605=43...(17) HB2 LEU 62 - QD2 LEU 57 far 12 83 15 - 4.7-6.6 HB2 LYS 32 - QD2 LEU 57 far 10 99 10 - 4.5-7.5 HB ILE 33 - QD2 LEU 57 far 5 100 5 - 4.9-6.6 HB3 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.4-8.4 HB2 ARG 54 - QD2 LEU 57 far 0 100 0 - 5.8-9.2 HB3 LYS 39 - QD2 LEU 57 far 0 90 0 - 7.5-11.0 HB2 LYS 13 - QD2 LEU 57 far 0 76 0 - 9.6-22.2 HB3 ARG 17 - QD2 LEU 57 far 0 76 0 - 9.7-21.3 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 poor 18 73 25 - 3.4-6.9 HB3 LEU 52 - QD2 LEU 57 far 0 100 0 - 5.4-7.3 QB ALA 63 - QD2 LEU 57 far 0 87 0 - 6.8-8.2 QB ALA 30 - QD2 LEU 57 far 0 76 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (1.95, 0.71, 23.03 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 MET 31 - QD2 LEU 57 far 0 85 0 - 5.6-7.8 HB2 LEU 64 - QD2 LEU 57 far 0 89 0 - 6.0-7.7 HB3 ARG 66 - QD2 LEU 57 far 0 95 0 - 7.8-10.3 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 2.0-2.1 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 3.6-3.8 694=100, 692/2.1=99...(10) 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 3.8-4.0 4.0=100 HB THR 58 - QD1 LEU 57 far 0 100 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.77, 1.00, 27.02 ppm; 3.63 A): 3 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 95 99 100 96 2.9-4.7 ~4603=33, ~4605=31...(19) HB2 LEU 62 + QD1 LEU 57 OK 59 83 75 95 4.0-5.7 3.0/6069=50, 4.0/5739=24...(21) HB2 PRO 34 - QD1 LEU 57 far 9 95 10 - 4.9-6.2 HB2 ARG 54 - QD1 LEU 57 far 0 100 0 - 5.7-7.3 HB ILE 33 - QD1 LEU 57 far 0 100 0 - 6.3-7.9 HB3 LYS 39 - QD1 LEU 57 far 0 90 0 - 6.6-11.2 HB2 LYS 32 - QD1 LEU 57 far 0 99 0 - 6.8-9.7 HB3 LYS 32 - QD1 LEU 57 far 0 99 0 - 7.8-10.6 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 5 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.3-2.6 3.1=100 HB3 LEU 52 + QD1 LEU 57 OK 99 100 100 99 3.3-4.7 3.1/4613=58, 1.8/4986=58...(13) HG12 ILE 33 - QD1 LEU 57 far 4 73 5 - 4.6-7.9 QB ALA 63 - QD1 LEU 57 far 0 87 0 - 6.6-7.4 QB ALA 30 - QD1 LEU 57 far 0 76 0 - 9.6-11.4 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 HB3 ARG 66 - QD1 LEU 57 far 0 95 0 - 5.9-8.0 HB2 LEU 64 - QD1 LEU 57 far 0 89 0 - 6.1-7.8 HB2 MET 31 - QD1 LEU 57 far 0 85 0 - 6.7-8.8 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 2.0-2.1 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 82 100 90 91 3.6-5.5 4221=47, 3.2/4614=24...(18) 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): 2 out of 2 assignments used, quality = 1.00: * HB THR 58 + HA THR 58 OK 100 100 100 100 2.2-2.6 3.0=100 HA LEU 57 + HA THR 58 OK 63 100 95 66 4.3-4.6 4.7=27, 226/3.0=25...(5) 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 2.1-3.1 3.2=98, 2478/3.0=50...(9) HB2 LEU 52 - HA THR 58 far 0 76 0 - 7.5-9.6 HG3 LYS 32 - HA THR 58 far 0 90 0 - 9.5-13.6 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 2.2-2.6 3.0=100 HA MET 31 - HB THR 58 far 0 96 0 - 8.1-11.2 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 - 8.1-12.9 HB2 LEU 52 - HB THR 58 far 0 76 0 - 9.7-11.5 HG2 LYS 32 - HB THR 58 far 0 60 0 - 9.7-12.8 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 2.0-3.1 698=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 2.1-3.1 3.2=100 HA MET 31 - QG2 THR 58 far 0 96 0 - 5.7-9.5 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 60 100 100 60 2.9-4.1 3.6/2478=36, 4.7/2473=23...(5) 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 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (4.04, 4.04, 60.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 59 + HA GLU 59 OK 100 100 - 100 Peak 2484 from cnoeabs.peaks (2.09, 4.04, 60.18 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.3-3.0 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 - 8.7-11.1 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 2.3-3.0 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 - 8.7-11.1 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 2.1-3.8 2501=94, 1.8/2507=75...(10) HB VAL 65 - HA GLU 59 far 0 97 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (2.32, 4.04, 60.18 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.0-3.7 2507=100, 1.8/2486=78...(10) Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (9.11, 2.09, 28.98 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: H GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.3-3.5 4.0=80, 703/3.0=54...(11) * H GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.1-3.6 4.0=80, 703/3.0=54...(11) 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 2.3-3.0 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 - 6.7-8.5 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 6.7-9.1 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 2.4-3.0 3.0=100 HB VAL 65 - HB3 GLU 59 far 0 97 0 - 9.4-11.0 HB VAL 65 - HB2 GLU 59 far 0 97 0 - 9.5-11.5 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 + HB3 GLU 59 OK 100 100 100 100 2.3-3.5 4.0=80, 703/3.0=54...(11) H GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.1-3.6 4.0=80, 703/3.0=54...(11) 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 2.3-3.0 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 - 6.7-8.5 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 6.7-9.1 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 2.4-3.0 3.0=100 HB VAL 65 - HB3 GLU 59 far 0 97 0 - 9.4-11.0 HB VAL 65 - HB2 GLU 59 far 0 97 0 - 9.5-11.5 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 2.5-3.9 703=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 2.1-3.8 2486=100, 2507/1.8=77...(11) HA PHE 48 - HG2 GLU 50 far 0 51 0 - 6.4-8.1 HA ALA 63 - HG2 GLU 59 far 0 89 0 - 6.4-9.9 HD2 PRO 44 - HG2 GLU 50 far 0 60 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 8.3-11.0 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 8.8-13.6 HB VAL 45 - HG2 GLU 50 far 0 36 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 8.3-11.0 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 8.8-13.6 HB VAL 45 - HG2 GLU 50 far 0 36 0 - 9.6-12.0 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 2.6-4.0 704=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 2.0-3.7 2487=97, 2486/1.8=77...(10) HA ARG 26 - HG3 GLU 25 far 2 49 5 - 4.0-6.7 HA ALA 63 - HG3 GLU 59 far 0 89 0 - 6.3-9.3 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 6 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 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 7.6-11.5 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 7.7-11.5 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 8.6-13.9 HB3 MET 31 - HG3 GLU 25 far 0 55 0 - 10.0-14.0 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 6 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 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 7.6-11.5 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 7.7-11.5 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 8.6-13.9 HB3 MET 31 - HG3 GLU 25 far 0 55 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (2.40, 2.32, 36.01 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 65 - HG3 GLU 59 far 0 97 0 - 9.2-11.8 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 2.2-2.7 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 2.2-2.7 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (8.51, 3.84, 62.16 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 H SER 60 + HB3 SER 60 OK 100 100 100 100 2.7-3.6 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 2.2-2.7 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 - 7.0-9.5 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.5-9.8 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 * HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 2519 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB3 SER 60 - HB2 SER 60 Peak 2520 from cnoeabs.peaks (8.51, 3.84, 62.16 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 * H SER 60 + HB3 SER 60 OK 100 100 100 100 2.7-3.6 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 2.2-2.7 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 - 7.0-9.5 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.5-9.8 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB2 SER 60 - HB3 SER 60 Peak 2523 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 2524 from cnoeabs.peaks (7.68, 3.96, 59.26 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 61 + HA GLN 61 OK 100 100 100 100 2.8-2.9 3.0=100 H MET 31 - HA GLN 61 far 0 71 0 - 5.7-7.9 H TYR 55 - HA GLU 50 far 0 94 0 - 6.2-7.3 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 2.5-3.0 3.0=100 HG3 MET 31 + HA GLN 61 OK 63 100 65 97 2.9-6.1 3.3/5079=44, 4202=34...(16) HB3 ASP 46 - HA GLU 50 far 0 74 0 - 7.5-9.2 HB2 ASP 24 - HA GLN 61 far 0 63 0 - 9.7-14.4 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 4 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 27 - HA GLN 61 far 0 63 0 - 5.9-11.0 HG3 ARG 27 - HA GLN 61 far 0 65 0 - 7.0-10.9 HG LEU 29 - HA GLN 61 far 0 92 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (2.60, 3.96, 59.26 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.5-3.7 4.0=100 HG2 MET 31 + HA GLN 61 OK 56 73 80 95 2.3-6.3 3.3/5079=42, 1.8/4202=29...(16) HB3 ASP 47 - HA GLU 50 far 0 91 0 - 7.6-8.4 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 2.3-3.8 4.0=75, 714/3.0=50...(16) 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 2.2-3.6 4.0=100 H MET 31 - HB2 GLN 61 far 0 71 0 - 6.9-9.9 H TYR 55 - HB2 GLN 61 far 0 99 0 - 8.8-10.4 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 5 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 28 - HB2 GLN 61 far 0 99 0 - 6.2-9.4 HA LYS 32 - HB2 GLN 61 far 0 96 0 - 7.9-10.0 HA ARG 66 - HB2 GLN 61 far 0 96 0 - 9.3-10.5 HA THR 37 - HB2 GLN 61 far 0 60 0 - 9.7-12.6 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 - 8.2-13.7 HG3 ARG 27 - HB2 GLN 61 far 0 65 0 - 9.7-13.8 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 2.2-3.0 3.0=100 HG2 MET 31 - HB2 GLN 61 poor 15 73 20 - 4.1-8.9 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 2.2-3.0 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 2.2-3.6 4.0=100 H MET 31 - HB3 GLN 61 far 0 71 0 - 6.4-8.6 H TYR 55 - HB3 GLN 61 far 0 99 0 - 9.0-10.2 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 2.4-3.0 3.0=100 HA ALA 28 - HB3 GLN 61 far 0 99 0 - 6.1-8.7 HA LYS 32 - HB3 GLN 61 far 0 96 0 - 6.6-9.2 HA ARG 66 - HB3 GLN 61 far 0 96 0 - 8.9-10.9 HA THR 37 - HB3 GLN 61 far 0 60 0 - 9.7-12.7 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 10 100 10 - 4.3-7.9 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 2.4-3.0 3.0=100 HG2 MET 31 - HB3 GLN 61 poor 15 73 20 - 4.9-7.7 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 2.4-3.0 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 2 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 4 71 5 - 5.2-9.1 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 2.5-3.7 4.0=100 HA ALA 28 - HG2 GLN 61 far 0 99 0 - 5.9-9.4 HA LYS 32 - HG2 GLN 61 far 0 96 0 - 6.9-9.9 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 2.2-3.0 3.0=100 HG3 MET 31 - HG2 GLN 61 far 10 100 10 - 2.2-7.8 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 4 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 27 - HG2 GLN 61 far 0 63 0 - 7.3-13.2 HG3 ARG 27 - HG2 GLN 61 far 0 65 0 - 8.6-13.4 HG LEU 29 - HG2 GLN 61 far 0 92 0 - 9.5-14.6 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 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (6.83, 2.60, 34.98 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.3-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2556 from cnoeabs.peaks (7.68, 2.16, 34.98 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.6-4.0 714=100, 713/1.8=98...(15) H MET 31 + HG3 GLN 61 OK 23 71 55 60 5.1-8.9 4.7/2558=20...(7) 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 2.3-3.8 4.0=100 HA ALA 28 - HG3 GLN 61 far 10 99 10 - 5.5-9.2 HA LYS 32 - HG3 GLN 61 far 0 96 0 - 5.9-8.4 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 2.2-3.0 3.0=100 HG3 MET 31 + HG3 GLN 61 OK 63 100 65 97 2.6-8.0 4848/4224=37...(18) 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 6 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 27 - HG3 GLN 61 far 0 65 0 - 8.0-14.0 HG2 ARG 27 - HG3 GLN 61 far 0 63 0 - 8.1-13.4 HB3 LYS 13 - HG3 GLN 61 far 0 78 0 - 9.4-27.4 HD3 LYS 13 - HG3 GLN 61 far 0 99 0 - 9.6-27.0 HG LEU 29 - HG3 GLN 61 far 0 92 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 2560 from cnoeabs.peaks (2.60, 2.16, 34.98 ppm; 3.46 A): 2 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 OK 28 73 45 86 4.0-7.7 1.8/2558=19...(18) Violated in 0 structures by 0.00 A. Peak 2561 from cnoeabs.peaks (2.16, 2.16, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 Peak 2562 from cnoeabs.peaks (7.46, 2.16, 34.98 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (6.83, 2.16, 34.98 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (8.82, 3.92, 57.93 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2565 from cnoeabs.peaks (3.92, 3.92, 57.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 Peak 2566 from cnoeabs.peaks (1.75, 3.92, 57.93 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 57 + HA LEU 62 OK 73 83 90 98 3.7-5.6 3.1/6069=50, 4981=31...(21) HG2 PRO 34 - HA LEU 62 far 0 95 0 - 7.4-9.5 HB ILE 33 - HA LEU 62 far 0 78 0 - 8.7-10.4 HB2 LYS 32 - HA LEU 62 far 0 65 0 - 9.6-13.3 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 5 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 62 + HA LEU 62 OK 78 78 100 100 2.1-3.2 2.1/2593=67, 2.1/2600=66...(30) HB3 LEU 51 - HA LEU 62 far 0 97 0 - 8.7-11.5 HG3 ARG 70 - HA LEU 62 far 0 73 0 - 9.4-14.4 HG3 ARG 54 - HA LEU 62 far 0 96 0 - 9.9-13.9 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 4 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.1-3.2 2.1/2593=66, 2.1/2600=65...(34) HB3 LEU 62 + HA LEU 62 OK 78 78 100 100 2.5-3.0 3.0=100 HG LEU 64 - HA LEU 62 far 7 68 10 - 4.8-7.8 HG3 ARG 54 - HA LEU 62 far 0 97 0 - 9.9-13.9 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 2.0-3.4 2593=100, 2.1/2600=67...(41) QD1 LEU 64 - HA LEU 62 far 0 71 0 - 5.9-7.8 QG2 ILE 40 - HA LEU 62 far 0 100 0 - 6.4-7.7 HG12 ILE 68 - HA LEU 62 far 0 98 0 - 7.5-10.6 QG2 VAL 41 - HA LEU 62 far 0 100 0 - 9.6-11.6 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 3.2-3.8 2600=100, 2.1/2593=80...(29) QD1 LEU 86 - HA LEU 62 far 0 93 0 - 8.2-38.7 HG LEU 51 - HA LEU 62 far 0 87 0 - 8.3-10.5 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 2.0-2.4 4.0=72, 2578/1.8=68...(20) 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 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2573 from cnoeabs.peaks (1.75, 1.75, 41.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 2574 from cnoeabs.peaks (1.59, 1.75, 41.88 ppm; 2.62 A): 2 out of 3 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 2.4-2.9 3.0=68, 2.1/2601=24...(25) HG LEU 86 - HB2 LEU 62 far 0 97 0 - 9.3-47.1 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 3 assignments used, quality = 0.99: * HG LEU 62 + HB2 LEU 62 OK 97 100 100 97 2.4-2.9 3.0=65, 2.1/2601=23...(25) 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 - 6.9-9.6 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 2.8-3.2 3.1=100 QD1 LEU 64 - HB2 LEU 62 far 0 71 0 - 7.8-9.1 QG2 ILE 40 - HB2 LEU 62 far 0 100 0 - 8.7-10.1 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 2.0-2.4 3.1=100 QD1 LEU 86 - HB2 LEU 62 far 0 93 0 - 7.2-40.5 HG LEU 51 - HB2 LEU 62 far 0 87 0 - 9.9-12.5 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 4 assignments used, quality = 1.00: * H LEU 62 + HB3 LEU 62 OK 100 100 100 100 3.0-3.6 4.0=81, 2571/1.8=78...(19) H THR 37 - HB3 LEU 86 far 0 57 0 - 5.5-41.5 H THR 37 - HB2 LEU 86 far 0 54 0 - 6.8-40.0 H THR 37 - HB3 LEU 29 far 0 96 0 - 7.5-11.0 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 8 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.5-3.0 3.0=100 HA2 GLY 18 - HB3 LEU 29 far 5 98 5 - 4.5-20.3 HA3 GLY 18 - HB3 LEU 29 far 5 98 5 - 3.2-20.1 HA3 GLY 21 - HB3 LEU 29 far 0 62 0 - 6.0-14.3 HA2 GLY 21 - HB3 LEU 29 far 0 60 0 - 6.8-14.7 HA THR 37 - HB3 LEU 86 far 0 54 0 - 8.1-38.8 HA THR 37 - HB2 LEU 86 far 0 51 0 - 9.1-38.3 HA THR 37 - HB3 LEU 29 far 0 93 0 - 9.6-12.6 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 26 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 - HB3 LEU 86 far 2 43 5 - 3.7-10.0 HB2 ARG 84 - HB2 LEU 86 far 2 41 5 - 3.1-9.0 HB3 ARG 17 - HB3 LEU 29 far 0 98 0 - 4.8-24.4 HB2 LEU 57 - HB3 LEU 62 far 0 83 0 - 4.8-6.8 HB3 LYS 85 - HB3 LEU 86 far 0 37 0 - 5.4-7.1 HB3 LYS 85 - HB2 LEU 86 far 0 35 0 - 5.5-7.4 HG3 ARG 26 - HB3 LEU 29 far 0 99 0 - 5.7-8.2 HB ILE 33 - HB3 LEU 29 far 0 75 0 - 5.9-8.0 HB ILE 33 - HB3 LEU 86 far 0 40 0 - 6.1-44.4 HB3 LYS 32 - HB3 LEU 29 far 0 62 0 - 6.3-8.6 HB ILE 33 - HB2 LEU 86 far 0 38 0 - 6.3-44.0 HG3 ARG 26 - HB2 LEU 86 far 0 58 0 - 6.6-46.9 HB3 LYS 83 - HB2 LEU 86 far 0 28 0 - 6.8-13.6 HB2 LYS 32 - HB3 LEU 29 far 0 62 0 - 7.1-9.1 HG3 ARG 26 - HB3 LEU 86 far 0 60 0 - 7.5-47.0 HB3 LYS 83 - HB3 LEU 86 far 0 29 0 - 7.6-13.4 HG3 ARG 71 - HB2 LEU 86 far 0 57 0 - 8.1-41.2 HB3 ARG 82 - HB2 LEU 86 far 0 43 0 - 8.2-17.1 HG3 ARG 71 - HB3 LEU 86 far 0 59 0 - 8.3-41.2 HB3 ARG 82 - HB3 LEU 62 far 0 85 0 - 8.6-36.4 HB2 ARG 84 - HB3 LEU 29 far 0 79 0 - 8.7-43.6 HB3 LYS 85 - HB3 LEU 29 far 0 70 0 - 8.9-46.0 HB3 ARG 82 - HB3 LEU 86 far 0 45 0 - 9.4-17.0 HG2 PRO 34 - HB3 LEU 62 far 0 95 0 - 9.7-11.8 HB3 LYS 32 - HB2 LEU 86 far 0 31 0 - 9.9-49.5 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 10 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.9-2.4 3.1=100 QD1 LEU 64 - HB3 LEU 29 far 0 68 0 - 7.7-8.5 QG2 ILE 40 - HB3 LEU 62 far 0 100 0 - 7.7-9.6 QD1 LEU 64 - HB3 LEU 62 far 0 71 0 - 7.7-8.9 QD1 LEU 64 - HB3 LEU 86 far 0 36 0 - 8.6-38.7 QD1 LEU 64 - HB2 LEU 86 far 0 34 0 - 8.7-38.5 QD2 LEU 62 - HB2 LEU 86 far 0 58 0 - 9.3-34.9 QD2 LEU 62 - HB3 LEU 86 far 0 60 0 - 9.4-35.3 HG12 ILE 68 - HB3 LEU 62 far 0 98 0 - 9.8-12.5 HG12 ILE 68 - HB3 LEU 29 far 0 96 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (0.87, 1.59, 41.88 ppm; 3.03 A): 4 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.3-3.1 3.1=92, 2600/3.0=41...(28) QD1 LEU 29 + HB3 LEU 29 OK 97 97 100 100 1.9-2.8 3.1=92, 2.1/1500=70...(23) QD1 LEU 86 + HB3 LEU 86 OK 51 51 100 99 2.0-3.2 3.1=94, 2.1/3537=34...(23) QD1 LEU 86 + HB2 LEU 86 OK 49 49 100 99 2.2-3.2 3.1=94, ~3537=24...(21) QD1 LEU 86 - HB3 LEU 29 far 5 90 5 - 3.0-42.7 QD1 LEU 29 - HB2 LEU 86 far 3 56 5 - 3.8-39.2 QD1 LEU 29 - HB3 LEU 86 far 0 59 0 - 5.1-40.4 QG1 VAL 90 - HB3 LEU 29 far 0 65 0 - 5.5-49.3 QD1 LEU 86 - HB3 LEU 62 far 0 93 0 - 6.2-39.5 QG1 VAL 90 - HB2 LEU 86 far 0 32 0 - 6.2-13.1 QG1 VAL 90 - HB3 LEU 86 far 0 34 0 - 6.5-13.7 QG2 VAL 90 - HB2 LEU 86 far 0 34 0 - 7.7-13.5 QG2 VAL 90 - HB3 LEU 29 far 0 68 0 - 7.8-50.9 QG2 VAL 90 - HB3 LEU 86 far 0 36 0 - 8.3-13.2 Violated in 0 structures by 0.00 A. Peak 2585 from cnoeabs.peaks (8.82, 1.57, 26.98 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 62 + HG LEU 62 OK 100 100 100 100 2.5-4.1 2571/3.0=68, 723/2.1=68...(16) H LEU 62 - HG LEU 64 far 7 66 10 - 5.5-8.4 H THR 37 - HG LEU 64 far 0 62 0 - 8.0-10.1 Violated in 3 structures by 0.01 A. Peak 2586 from cnoeabs.peaks (3.92, 1.57, 26.98 ppm; 4.05 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-3.2 2593/2.1=85, 4.3=85...(33) HA LEU 62 - HG LEU 64 poor 20 66 30 - 4.8-7.8 HA THR 37 - HG LEU 64 far 0 59 0 - 6.2-8.6 HA3 GLY 21 - HG3 ARG 23 far 0 23 0 - 6.8-10.6 HA2 GLY 21 - HG3 ARG 23 far 0 22 0 - 7.7-10.7 HA LEU 62 - HG3 ARG 54 far 0 90 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2587 from cnoeabs.peaks (1.75, 1.57, 26.98 ppm; 2.68 A): 5 out of 28 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 98 100 100 98 2.4-2.9 3.0=74, 2601/2.1=25...(25) HB2 ARG 54 + HG3 ARG 54 OK 69 71 100 97 2.2-2.9 3.0=75, 3.0/2332=23...(23) HB2 LEU 57 + HG LEU 62 OK 60 83 90 80 2.2-4.4 4982=18, 1.8/4983=18...(14) HB2 ARG 84 + HG3 ARG 84 OK 26 28 100 95 2.2-3.0 3.0=75, 3379/1.8=18...(31) HB2 ARG 84 + HG2 ARG 84 OK 26 28 100 95 2.3-3.0 3.0=75, 3379/1.8=18...(31) HG3 ARG 26 - HG3 ARG 23 far 4 43 10 - 3.7-8.3 HB3 ARG 82 - HG2 ARG 84 far 3 29 10 - 3.3-9.4 HB3 ARG 82 - HG3 ARG 84 far 1 29 5 - 4.1-9.8 HB3 LYS 85 - HG3 ARG 84 far 1 24 5 - 4.1-8.0 HB3 LYS 85 - HG2 ARG 84 far 0 24 0 - 5.4-7.5 HB ILE 33 - HG LEU 64 far 0 44 0 - 5.9-7.7 HG3 ARG 26 - HG2 ARG 84 far 0 40 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 40 0 - 6.2-41.1 HG3 ARG 71 - HG LEU 64 far 0 64 0 - 6.6-10.8 HB2 LEU 62 - HG LEU 64 far 0 66 0 - 6.9-9.6 HG3 ARG 71 - HG3 ARG 23 far 0 43 0 - 6.9-16.2 HB2 LEU 57 - HG3 ARG 54 far 0 69 0 - 7.1-11.3 HG2 PRO 34 - HG LEU 62 far 0 95 0 - 7.3-9.6 HB2 LEU 57 - HG LEU 64 far 0 47 0 - 7.7-11.2 HG2 PRO 34 - HG3 ARG 54 far 0 81 0 - 7.9-11.3 HG2 PRO 34 - HG LEU 64 far 0 57 0 - 8.5-12.0 HB2 LYS 32 - HG LEU 64 far 0 36 0 - 8.9-11.1 HG3 ARG 26 - HG LEU 64 far 0 65 0 - 9.0-13.2 HB2 LEU 43 - HG3 ARG 54 far 0 65 0 - 9.2-12.8 HG3 ARG 71 - HG3 ARG 84 far 0 39 0 - 9.3-35.7 HB3 LYS 32 - HG LEU 64 far 0 36 0 - 9.4-12.1 HB2 ARG 54 - HG LEU 62 far 0 85 0 - 9.5-11.5 HG3 ARG 71 - HG2 ARG 84 far 0 39 0 - 9.8-34.7 Violated in 0 structures by 0.00 A. Peak 2588 from cnoeabs.peaks (1.59, 1.57, 26.98 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HG3 ARG 54 + HG3 ARG 54 OK 83 83 - 100 HG LEU 62 + HG LEU 62 OK 78 78 - 100 HG3 ARG 84 + HG3 ARG 84 OK 39 39 - 100 HG2 ARG 84 + HG2 ARG 84 OK 39 39 - 100 Reference assignment not found: HB3 LEU 62 - HG LEU 62 Peak 2589 from cnoeabs.peaks (1.57, 1.57, 26.98 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 HG3 ARG 54 + HG3 ARG 54 OK 85 85 - 100 HG LEU 64 + HG LEU 64 OK 37 37 - 100 HG3 ARG 23 + HG3 ARG 23 OK 25 25 - 100 HG3 ARG 84 + HG3 ARG 84 OK 21 21 - 100 HG2 ARG 84 + HG2 ARG 84 OK 21 21 - 100 Peak 2590 from cnoeabs.peaks (0.93, 1.57, 26.98 ppm; 3.28 A): 3 out of 22 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 64 + HG LEU 64 OK 39 39 100 100 2.1-2.1 2.1=100 HG12 ILE 68 + HG LEU 64 OK 37 62 75 81 2.1-6.8 2.1/4759=51, ~5251=20...(7) QD1 LEU 64 - HG3 ARG 23 far 0 25 0 - 5.6-11.6 QG2 ILE 40 - HG LEU 64 far 0 66 0 - 5.8-6.9 QD2 LEU 62 - HG LEU 64 far 0 66 0 - 6.1-9.0 QG2 VAL 41 - HG LEU 64 far 0 64 0 - 6.7-9.4 QG2 ILE 40 - HG LEU 62 far 0 100 0 - 7.1-9.7 QD1 LEU 64 - HG LEU 62 far 0 71 0 - 7.7-9.8 QD2 LEU 62 - HG3 ARG 54 far 0 90 0 - 7.8-11.5 QD2 LEU 43 - HG3 ARG 54 far 0 78 0 - 8.0-9.9 HG12 ILE 68 - HG3 ARG 23 far 0 41 0 - 8.1-14.7 QG2 VAL 76 - HG3 ARG 23 far 0 41 0 - 8.4-21.3 QG1 VAL 76 - HG3 ARG 84 far 0 37 0 - 8.6-18.0 QG2 VAL 76 - HG LEU 64 far 0 62 0 - 9.1-17.6 QG2 VAL 76 - HG2 ARG 84 far 0 37 0 - 9.3-18.6 QD2 LEU 62 - HG2 ARG 84 far 0 40 0 - 9.3-31.8 QG2 VAL 76 - HG3 ARG 84 far 0 37 0 - 9.6-18.1 HG12 ILE 68 - HG LEU 62 far 0 98 0 - 9.7-12.9 QG2 ILE 40 - HG3 ARG 54 far 0 90 0 - 9.8-12.3 QG1 VAL 76 - HG2 ARG 84 far 0 37 0 - 9.8-16.9 QG2 VAL 41 - HG3 ARG 23 far 0 43 0 - 10.0-13.8 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 14 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 51 - HG3 ARG 54 far 7 73 10 - 3.8-7.0 QD1 LEU 86 - HG3 ARG 84 far 5 34 15 - 4.6-10.7 QD1 LEU 86 - HG2 ARG 84 far 0 34 0 - 5.5-10.5 QD1 LEU 62 - HG3 ARG 54 far 0 90 0 - 7.0-11.1 QD1 LEU 62 - HG LEU 64 far 0 66 0 - 7.2-9.9 QD1 LEU 29 - HG2 ARG 84 far 0 39 0 - 7.3-34.8 HG LEU 51 - HG LEU 62 far 0 87 0 - 7.4-10.6 QD1 LEU 86 - HG LEU 64 far 0 56 0 - 7.7-39.2 QD1 LEU 29 - HG3 ARG 23 far 0 42 0 - 7.8-10.2 QD1 LEU 29 - HG3 ARG 84 far 0 39 0 - 7.9-35.2 QD1 LEU 86 - HG LEU 62 far 0 93 0 - 8.4-39.2 QD1 LEU 29 - HG LEU 64 far 0 64 0 - 9.3-10.5 QD1 LEU 86 - HG3 ARG 23 far 0 37 0 - 9.8-42.2 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 3.2-4.4 722=100, 2585/2.1=88...(20) 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 2 assignments used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.0-3.4 2569=94, 2600/2.1=65...(41) HA THR 37 - QD2 LEU 62 far 0 96 0 - 9.4-12.2 Violated in 1 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (1.75, 0.93, 24.73 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.8-3.2 3.1=100 HB2 LEU 57 + QD2 LEU 62 OK 63 83 80 95 3.0-5.4 1.8/4599=40, 4982/2.1=35...(15) HG2 PRO 34 - QD2 LEU 62 far 0 95 0 - 6.1-10.0 HB3 ARG 82 - QD2 LEU 62 far 0 85 0 - 7.5-29.9 HB2 ARG 54 - QD2 LEU 62 far 0 85 0 - 7.5-10.6 HB2 LEU 43 - QD2 LEU 62 far 0 78 0 - 9.1-12.8 HB ILE 33 - QD2 LEU 62 far 0 78 0 - 9.1-11.0 HG3 ARG 71 - QD2 LEU 62 far 0 100 0 - 9.5-13.1 HB2 LYS 32 - QD2 LEU 62 far 0 65 0 - 10.0-13.0 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 1.9-2.4 3.1=100 HG LEU 62 + QD2 LEU 62 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 51 - QD2 LEU 62 far 0 97 0 - 6.6-9.3 HG3 ARG 70 - QD2 LEU 62 far 0 73 0 - 6.9-12.6 HG3 ARG 54 - QD2 LEU 62 far 0 96 0 - 7.8-11.5 HG LEU 86 - QD2 LEU 62 far 0 97 0 - 7.8-36.2 HD3 LYS 39 - QD2 LEU 62 far 0 99 0 - 8.6-13.5 HB2 LEU 86 - QD2 LEU 62 far 0 68 0 - 9.3-34.9 HG2 ARG 84 - QD2 LEU 62 far 0 100 0 - 9.3-31.8 HB3 LEU 86 - QD2 LEU 62 far 0 71 0 - 9.4-35.3 HD2 LYS 39 - QD2 LEU 62 far 0 100 0 - 9.6-14.0 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 10 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 1.9-2.4 3.1=99 HG LEU 64 - QD2 LEU 62 far 0 68 0 - 6.1-9.0 HG3 ARG 54 - QD2 LEU 62 far 0 97 0 - 7.8-11.5 HB3 ARG 54 - QD2 LEU 62 far 0 87 0 - 8.5-12.0 HD3 LYS 39 - QD2 LEU 62 far 0 90 0 - 8.6-13.5 HG2 ARG 84 - QD2 LEU 62 far 0 65 0 - 9.3-31.8 HB3 LEU 86 - QD2 LEU 62 far 0 100 0 - 9.4-35.3 HD2 LYS 39 - QD2 LEU 62 far 0 89 0 - 9.6-14.0 HG2 LYS 39 - QD2 LEU 62 far 0 87 0 - 9.7-12.5 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 4 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 0 93 0 - 5.6-31.2 HG LEU 51 - QD2 LEU 62 far 0 87 0 - 6.5-9.3 QG2 VAL 90 - QD2 LEU 62 far 0 71 0 - 9.8-31.6 Violated in 0 structures by 0.00 A. Peak 2599 from cnoeabs.peaks (8.82, 0.87, 24.45 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.6-4.2 723=100, 2585/2.1=79...(16) H THR 37 - QD1 LEU 86 far 4 86 5 - 3.6-35.1 H THR 37 - QD1 LEU 29 far 0 96 0 - 6.3-9.7 H LEU 62 - QD1 LEU 86 far 0 90 0 - 8.6-41.0 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 9 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.2-3.8 2570=72, 2593/2.1=67...(29) HA3 GLY 21 - QD1 LEU 29 far 6 63 10 - 4.8-10.8 HA2 GLY 21 - QD1 LEU 29 far 6 61 10 - 4.3-10.8 HA2 GLY 18 - QD1 LEU 29 far 5 99 5 - 3.6-16.0 HA3 GLY 18 - QD1 LEU 29 far 5 98 5 - 2.9-15.9 HA THR 37 - QD1 LEU 86 far 0 82 0 - 5.4-34.4 HA THR 37 - QD1 LEU 29 far 0 94 0 - 7.8-11.2 HA LEU 62 - QD1 LEU 86 far 0 90 0 - 8.2-38.7 HA3 GLY 21 - QD1 LEU 86 far 0 53 0 - 9.6-40.9 Violated in 18 structures by 0.18 A. Peak 2601 from cnoeabs.peaks (1.75, 0.87, 24.45 ppm; 3.00 A): 3 out of 25 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.4 3.1=90, 3.0/2600=40...(27) HB2 LEU 57 + QD1 LEU 62 OK 58 83 85 82 2.0-5.0 4982/2.1=23, ~4599=21...(14) HG3 ARG 26 + QD1 LEU 29 OK 37 99 70 53 2.6-6.4 3.7/4187=15...(12) HB2 ARG 84 - QD1 LEU 86 far 3 69 5 - 4.0-8.4 HB ILE 33 - QD1 LEU 86 far 3 65 5 - 3.9-39.1 HB3 LYS 83 - QD1 LEU 86 far 2 48 5 - 4.4-12.4 HG3 ARG 26 - QD1 LEU 86 far 0 90 0 - 5.1-41.3 HB3 LYS 85 - QD1 LEU 86 far 0 60 0 - 5.2-7.7 HB3 ARG 82 - QD1 LEU 86 far 0 71 0 - 5.4-15.3 HB3 ARG 17 - QD1 LEU 29 far 0 99 0 - 5.4-19.3 HB2 ARG 84 - QD1 LEU 29 far 0 80 0 - 5.7-36.2 HB ILE 33 - QD1 LEU 29 far 0 76 0 - 6.5-8.5 HG3 ARG 71 - QD1 LEU 86 far 0 89 0 - 6.7-36.5 HG2 PRO 34 - QD1 LEU 62 far 0 95 0 - 6.8-9.6 HB3 LYS 32 - QD1 LEU 29 far 0 63 0 - 7.1-9.3 HB2 LEU 62 - QD1 LEU 86 far 0 90 0 - 7.2-40.5 HB3 LYS 85 - QD1 LEU 29 far 0 71 0 - 7.5-38.2 HB2 ARG 54 - QD1 LEU 62 far 0 85 0 - 7.7-10.7 HB2 LYS 32 - QD1 LEU 29 far 0 63 0 - 7.8-9.5 HB3 LYS 32 - QD1 LEU 86 far 0 53 0 - 8.1-43.8 HB2 LYS 32 - QD1 LEU 86 far 0 53 0 - 8.1-43.4 HB2 LYS 32 - QD1 LEU 62 far 0 65 0 - 8.9-14.0 HG2 PRO 34 - QD1 LEU 86 far 0 81 0 - 9.0-39.7 HB3 ARG 82 - QD1 LEU 62 far 0 85 0 - 9.5-31.9 HB ILE 33 - QD1 LEU 62 far 0 78 0 - 9.7-12.1 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 25 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 99 100 100 99 2.3-3.1 3.1=82, 3.0/2600=38...(23) HB3 LEU 29 + QD1 LEU 29 OK 97 97 100 100 1.9-2.8 3.1=82, 1500/2.1=65...(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 2.0-3.2 3.1=84, 3531/2.1=25...(21) HB2 LEU 86 + QD1 LEU 86 OK 54 55 100 98 2.2-3.2 3.1=84, ~3537=22...(18) HB3 LEU 29 - QD1 LEU 86 far 4 87 5 - 3.0-42.7 HB2 LEU 86 - QD1 LEU 29 far 3 66 5 - 3.8-39.2 HG3 ARG 84 - QD1 LEU 86 far 0 89 0 - 4.6-10.7 HG LEU 86 - QD1 LEU 29 far 0 96 0 - 4.7-41.1 HB3 LEU 86 - QD1 LEU 29 far 0 69 0 - 5.1-40.4 HG2 ARG 84 - QD1 LEU 86 far 0 89 0 - 5.5-10.5 HB3 LEU 62 - QD1 LEU 86 far 0 90 0 - 6.2-39.5 HD3 LYS 32 - QD1 LEU 29 far 0 71 0 - 6.3-11.2 HD2 LYS 32 - QD1 LEU 29 far 0 76 0 - 6.8-10.7 HG3 ARG 70 - QD1 LEU 86 far 0 60 0 - 6.9-32.5 HG3 ARG 54 - QD1 LEU 62 far 0 96 0 - 7.0-11.1 HG2 ARG 84 - QD1 LEU 29 far 0 98 0 - 7.3-34.8 HB3 LEU 51 - QD1 LEU 62 far 0 97 0 - 7.5-10.5 HG3 ARG 84 - QD1 LEU 29 far 0 98 0 - 7.9-35.2 HG LEU 62 - QD1 LEU 86 far 0 65 0 - 8.4-39.2 HG3 ARG 70 - QD1 LEU 62 far 0 73 0 - 8.7-14.6 HG LEU 86 - QD1 LEU 62 far 0 97 0 - 8.8-37.8 HD2 LYS 32 - QD1 LEU 86 far 0 65 0 - 8.9-45.1 HD3 LYS 32 - QD1 LEU 86 far 0 60 0 - 9.6-46.1 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 20 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 1.9-2.8 3.1=70, 1.8/1506=57...(20) HB3 LEU 86 + QD1 LEU 86 OK 87 90 100 97 2.0-3.2 3.1=72, 3537/2.1=41...(20) HB3 LEU 62 + QD1 LEU 62 OK 77 78 100 98 2.3-3.1 3.1=70, 3.0/2600=34...(23) HB3 LEU 29 - QD1 LEU 86 far 4 80 5 - 3.0-42.7 HG3 ARG 84 - QD1 LEU 86 far 0 53 0 - 4.6-10.7 HB3 LEU 86 - QD1 LEU 29 far 0 99 0 - 5.1-40.4 HG2 ARG 84 - QD1 LEU 86 far 0 53 0 - 5.5-10.5 HB3 LEU 62 - QD1 LEU 86 far 0 65 0 - 6.2-39.5 HG3 ARG 54 - QD1 LEU 62 far 0 97 0 - 7.0-11.1 HG LEU 64 - QD1 LEU 62 far 0 68 0 - 7.2-9.9 HG2 ARG 84 - QD1 LEU 29 far 0 63 0 - 7.3-34.8 HG LEU 64 - QD1 LEU 86 far 0 55 0 - 7.7-39.2 HG3 ARG 23 - QD1 LEU 29 far 0 69 0 - 7.8-10.2 HG3 ARG 84 - QD1 LEU 29 far 0 63 0 - 7.9-35.2 HG LEU 62 - QD1 LEU 86 far 0 90 0 - 8.4-39.2 HB3 ARG 54 - QD1 LEU 62 far 0 87 0 - 8.4-11.8 HG2 LYS 39 - QD1 LEU 86 far 0 73 0 - 8.4-32.5 HG LEU 64 - QD1 LEU 29 far 0 66 0 - 9.3-10.5 HG3 ARG 23 - QD1 LEU 86 far 0 58 0 - 9.8-42.2 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (0.93, 0.87, 24.45 ppm; 2.40 A): 1 out of 17 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 64 - QD1 LEU 86 far 0 58 0 - 5.3-34.1 QD2 LEU 62 - QD1 LEU 86 far 0 90 0 - 5.6-31.2 QD1 LEU 64 - QD1 LEU 29 far 0 69 0 - 6.6-7.8 HG12 ILE 68 - QD1 LEU 86 far 0 86 0 - 7.0-37.4 QG2 ILE 40 - QD1 LEU 62 far 0 100 0 - 7.4-9.1 QD1 LEU 64 - QD1 LEU 62 far 0 71 0 - 7.7-9.2 QG2 VAL 41 - QD1 LEU 86 far 0 89 0 - 8.0-26.0 QG2 VAL 76 - QD1 LEU 29 far 0 96 0 - 8.2-20.2 QG1 VAL 76 - QD1 LEU 29 far 0 96 0 - 8.5-18.4 QG2 ILE 40 - QD1 LEU 86 far 0 90 0 - 8.6-27.1 HG12 ILE 68 - QD1 LEU 29 far 0 96 0 - 8.9-11.0 QG2 VAL 41 - QD1 LEU 29 far 0 98 0 - 9.0-12.2 QG1 VAL 76 - QD1 LEU 62 far 0 98 0 - 9.6-19.3 HG12 ILE 68 - QD1 LEU 62 far 0 98 0 - 9.6-12.2 QG2 ILE 40 - QD1 LEU 29 far 0 99 0 - 9.7-12.0 QG2 VAL 76 - QD1 LEU 86 far 0 86 0 - 9.9-20.3 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 4 assignments used, quality = 1.00: * H ALA 63 + HA ALA 63 OK 100 100 100 100 2.7-2.9 3.0=100 H ARG 69 - HA ALA 63 far 0 100 0 - 7.8-9.1 H ARG 70 - HA ALA 63 far 0 71 0 - 8.2-9.6 H GLY 72 - HA ALA 63 far 0 95 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 2607 from cnoeabs.peaks (4.06, 4.06, 55.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 63 + HA ALA 63 OK 100 100 - 100 Peak 2608 from cnoeabs.peaks (1.49, 4.06, 55.02 ppm; 2.89 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 63 + HA ALA 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 57 - HA ALA 63 far 0 87 0 - 7.6-9.1 HB3 LEU 52 - HA ALA 63 far 0 95 0 - 8.2-11.9 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 5 assignments used, quality = 1.00: * H ALA 63 + QB ALA 63 OK 100 100 100 100 2.1-2.2 2.9=100 H ARG 69 - QB ALA 63 far 0 100 0 - 7.9-8.9 H ARG 70 - QB ALA 63 far 0 71 0 - 8.4-9.5 H GLY 72 - QB ALA 63 far 0 95 0 - 8.9-12.0 H ALA 30 - QB ALA 63 far 0 100 0 - 9.7-12.0 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 9 89 10 - 4.4-5.2 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 2.7-2.9 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): 2 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 OK 36 87 45 93 3.8-7.4 5073/2648=38...(13) HB3 ARG 70 - HA LEU 64 far 0 89 0 - 6.7-10.4 HB2 ARG 70 - HA LEU 64 far 0 89 0 - 7.8-11.0 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 5 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.2-2.4 3.0=100 HG3 ARG 66 - HA LEU 64 far 10 100 10 - 4.2-7.1 HG2 ARG 70 - HA LEU 64 far 0 97 0 - 6.9-9.6 HG2 ARG 23 - HA LEU 64 far 0 65 0 - 8.4-15.8 HB3 LYS 85 - HA LEU 64 far 0 71 0 - 9.5-38.6 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 4 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 2.8-3.7 2.1/2648=84, 2634=67...(15) HG3 ARG 23 - HA LEU 64 far 0 100 0 - 7.3-16.1 HG LEU 62 - HA LEU 64 far 0 68 0 - 8.1-9.6 HB3 LEU 86 - HA LEU 64 far 0 76 0 - 9.0-45.1 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 3 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 86 - HA LEU 64 far 0 96 0 - 7.5-39.0 QD2 LEU 29 - HA LEU 64 far 0 100 0 - 9.8-12.6 Violated in 14 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 2.3-3.2 2648=100, 2.1/2616=51...(20) QD2 LEU 62 - HA LEU 64 far 0 71 0 - 6.5-8.6 QG2 ILE 40 - HA LEU 64 far 0 71 0 - 6.7-8.1 QG2 VAL 41 - HA LEU 64 far 0 83 0 - 7.8-9.9 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, 4.0=78...(18) 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 poor 19 87 40 55 5.1-7.1 4647/5016=25...(5) 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 6 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 - 5.8-7.9 HG2 ARG 23 - HB2 LEU 64 far 0 65 0 - 8.9-16.2 HG LEU 29 - HB2 LEU 64 far 0 76 0 - 9.3-11.7 HG2 ARG 70 - HB2 LEU 64 far 0 97 0 - 9.4-12.4 HB2 LEU 29 - HB2 LEU 64 far 0 85 0 - 9.8-12.1 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 2.5-2.9 3.0=100 HG LEU 62 - HB2 LEU 64 far 0 68 0 - 7.5-8.8 HG3 ARG 23 - HB2 LEU 64 far 0 100 0 - 8.3-16.5 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (0.84, 1.97, 41.01 ppm; 3.70 A): 1 out of 3 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 - 8.5-11.1 QD2 LEU 86 - HB2 LEU 64 far 0 96 0 - 9.6-39.8 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 2.9-3.2 3.1=100 QD2 LEU 62 - HB2 LEU 64 far 0 71 0 - 6.2-8.6 QG2 ILE 40 - HB2 LEU 64 far 0 71 0 - 6.8-8.6 QG2 VAL 41 - HB2 LEU 64 far 0 83 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (7.42, 1.70, 41.01 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.6-3.5 730=100, 2619/1.8=73...(17) 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 2.2-2.4 3.0=100 HA SER 60 - HB3 LEU 64 far 0 87 0 - 5.3-7.1 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 75 87 95 91 2.0-6.3 5074/3.1=36, 5073/3.1=29...(20) HB3 ARG 70 - HB3 LEU 64 far 0 89 0 - 8.6-12.7 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 2.8-3.0 3.0=100 HG3 ARG 23 - HB3 LEU 64 far 0 100 0 - 6.6-15.7 HG LEU 62 - HB3 LEU 64 far 0 68 0 - 8.8-10.1 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 3 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.5-2.9 3.1=100 QD2 LEU 29 - HB3 LEU 64 far 0 100 0 - 8.3-10.8 QD2 LEU 86 - HB3 LEU 64 far 0 96 0 - 8.9-40.4 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (0.95, 1.70, 41.01 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.9-2.3 3.1=100 QD2 LEU 62 - HB3 LEU 64 far 0 71 0 - 7.4-9.6 QG2 ILE 40 - HB3 LEU 64 far 0 71 0 - 7.5-9.0 QG2 VAL 41 - HB3 LEU 64 far 0 83 0 - 9.0-10.7 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 4 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 3.2-4.4 731=100, 2647/2.1=85...(14) H LEU 64 - HG LEU 62 poor 13 66 20 - 5.9-7.3 H LEU 52 - HG LEU 62 far 6 61 10 - 5.7-8.7 H LEU 64 - HG3 ARG 23 far 0 88 0 - 9.9-18.3 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 2.8-3.7 2616=100, 2648/2.1=95...(15) HA LYS 83 - HG2 ARG 82 poor 16 80 20 - 3.7-7.0 HA SER 60 - HG LEU 62 far 0 51 0 - 6.3-8.3 HA ALA 20 - HG3 ARG 23 far 0 88 0 - 6.3-14.1 HA SER 60 - HG LEU 64 far 0 87 0 - 6.8-9.6 HA LEU 64 - HG3 ARG 23 far 0 88 0 - 7.3-16.1 HA LYS 75 - HG3 ARG 23 far 0 74 0 - 7.7-25.2 HA ALA 77 - HG2 ARG 82 far 0 58 0 - 8.0-14.1 HA LEU 64 - HG LEU 62 far 0 66 0 - 8.1-9.6 HA GLU 19 - HG3 ARG 23 far 0 87 0 - 9.6-15.0 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 2.5-2.9 3.0=100 QE MET 31 + HG LEU 64 OK 60 87 70 98 3.7-5.8 5074/2.1=65, 5073/2.1=53...(14) HG LEU 57 - HG LEU 62 poor 19 52 40 91 4.2-6.4 2.1/5325=31, 692/5747=28...(15) HB2 ARG 70 - HG2 ARG 82 far 4 80 5 - 5.0-26.5 HB3 GLN 79 - HG2 ARG 82 far 0 68 0 - 5.3-11.3 HB3 ARG 70 - HG2 ARG 82 far 0 80 0 - 5.9-25.0 QE MET 31 - HG LEU 62 far 0 51 0 - 6.6-8.7 HB2 GLN 79 - HG2 ARG 82 far 0 94 0 - 6.7-12.4 HB2 LEU 64 - HG LEU 62 far 0 66 0 - 7.5-8.8 HG LEU 57 - HG LEU 64 far 0 89 0 - 7.9-11.7 HB3 ARG 70 - HG LEU 64 far 0 89 0 - 8.2-12.6 HB2 LEU 64 - HG3 ARG 23 far 0 88 0 - 8.3-16.5 QE MET 31 - HG3 ARG 23 far 0 71 0 - 8.7-14.4 HB2 ARG 70 - HG LEU 64 far 0 89 0 - 9.5-13.0 HG LEU 43 - HG2 ARG 82 far 0 80 0 - 9.9-29.8 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 19 assignments used, quality = 0.99: HB2 ARG 82 + HG2 ARG 82 OK 88 95 100 93 2.8-3.0 2.9=66, 1.8/5479=52...(16) * HB3 LEU 64 + HG LEU 64 OK 87 100 100 87 2.8-3.0 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 3 65 5 - 3.9-7.3 HB2 ARG 84 - HG2 ARG 82 far 0 53 0 - 5.4-11.4 HB3 LYS 83 - HG2 ARG 82 far 0 74 0 - 5.4-8.6 HG3 ARG 66 - HG2 ARG 82 far 0 95 0 - 6.0-32.6 HG3 ARG 66 - HG LEU 64 far 0 100 0 - 6.0-8.4 HB3 LEU 64 - HG3 ARG 23 far 0 88 0 - 6.6-15.7 HG2 ARG 70 - HG2 ARG 82 far 0 89 0 - 7.9-26.6 HG LEU 29 - HG3 ARG 23 far 0 60 0 - 7.9-10.9 HG2 ARG 70 - HG LEU 64 far 0 97 0 - 8.2-11.8 HB3 LEU 64 - HG LEU 62 far 0 66 0 - 8.8-10.1 HG LEU 29 - HG LEU 64 far 0 76 0 - 8.9-11.0 HB2 LEU 29 - HG3 ARG 23 far 0 69 0 - 9.1-13.1 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 9.4-13.3 HG2 ARG 23 - HG LEU 64 far 0 65 0 - 9.5-16.0 HG2 ARG 70 - HG LEU 62 far 0 60 0 - 9.5-14.8 HB2 LEU 29 - HG LEU 64 far 0 85 0 - 9.7-11.4 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 13 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 64 - HG LEU 62 far 0 66 0 - 6.6-8.3 QD2 LEU 64 - HG3 ARG 23 far 0 88 0 - 6.7-13.1 QD2 LEU 29 - HG LEU 64 far 0 100 0 - 7.6-10.6 QD2 LEU 86 - HG2 ARG 82 far 0 88 0 - 7.7-15.8 QD2 LEU 29 - HG3 ARG 23 far 0 88 0 - 7.9-10.8 QD2 LEU 86 - HG LEU 62 far 0 59 0 - 8.8-38.0 QD2 LEU 86 - HG3 ARG 23 far 0 80 0 - 9.0-42.0 QG2 ILE 89 - HG LEU 64 far 0 100 0 - 9.2-43.6 QD1 LEU 43 - HG LEU 62 far 0 55 0 - 9.4-12.5 QD1 LEU 43 - HG2 ARG 82 far 0 84 0 - 9.6-26.5 QD2 LEU 86 - HG LEU 64 far 0 96 0 - 9.8-38.4 QD1 LEU 43 - HG LEU 64 far 0 92 0 - 9.9-12.6 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 13 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 QD1 LEU 64 - HG3 ARG 23 far 0 88 0 - 5.6-11.6 QG2 ILE 40 - HG LEU 64 far 0 71 0 - 5.8-6.9 QD2 LEU 62 - HG2 ARG 82 far 0 63 0 - 5.8-28.9 QD2 LEU 62 - HG LEU 64 far 0 71 0 - 6.1-9.0 QG2 VAL 41 - HG LEU 64 far 0 83 0 - 6.7-9.4 QG2 ILE 40 - HG LEU 62 far 0 39 0 - 7.1-9.7 QD2 LEU 43 - HG2 ARG 82 far 0 90 0 - 7.2-25.9 QD1 LEU 64 - HG LEU 62 far 0 66 0 - 7.7-9.8 QG2 VAL 41 - HG2 ARG 82 far 0 74 0 - 8.1-20.5 QG2 ILE 40 - HG2 ARG 82 far 0 63 0 - 9.1-22.9 QG2 VAL 41 - HG3 ARG 23 far 0 67 0 - 10.0-13.8 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 2 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 - 8.8-11.1 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 7 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 87 87 100 100 1.8-3.6 5074=78, 5073/2.1=43...(26) HG LEU 57 - QD2 LEU 64 far 0 89 0 - 6.9-9.1 HG2 PRO 14 - QD2 LEU 64 far 0 95 0 - 7.6-19.8 HG3 PRO 14 - QD2 LEU 64 far 0 95 0 - 7.7-21.1 HB3 ARG 70 - QD2 LEU 64 far 0 89 0 - 8.9-12.4 HB2 ARG 70 - QD2 LEU 64 far 0 89 0 - 9.8-12.6 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 7 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.5-2.9 3.1=100 HG LEU 29 - QD2 LEU 64 far 0 76 0 - 5.8-7.7 HB2 LEU 29 - QD2 LEU 64 far 0 85 0 - 6.2-8.0 HG3 ARG 66 - QD2 LEU 64 far 0 100 0 - 6.7-8.6 HG2 ARG 23 - QD2 LEU 64 far 0 65 0 - 7.0-12.6 HB3 LYS 13 - QD2 LEU 64 far 0 90 0 - 8.2-23.9 HG2 ARG 70 - QD2 LEU 64 far 0 97 0 - 8.7-11.3 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 5 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 - 6.6-8.3 HG3 ARG 23 - QD2 LEU 64 far 0 100 0 - 6.7-13.1 HG2 LYS 39 - QD2 LEU 64 far 0 99 0 - 8.4-11.8 HB3 LEU 86 - QD2 LEU 64 far 0 76 0 - 9.1-37.6 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 1.9-2.1 2.1=100 QG2 ILE 40 - QD2 LEU 64 far 0 71 0 - 5.2-7.3 QD2 LEU 62 - QD2 LEU 64 far 0 71 0 - 6.4-7.9 QG2 VAL 41 - QD2 LEU 64 far 0 83 0 - 6.5-9.2 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 4.2-4.4 3.0/2648=79, 4.4=78...(14) H LYS 39 - QD1 LEU 64 far 0 65 0 - 8.2-11.6 Violated in 20 structures by 0.21 A. Peak 2648 from cnoeabs.peaks (4.26, 0.95, 23.35 ppm; 3.04 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.3-3.2 2618=87, 2616/2.1=46...(20) HA SER 60 - QD1 LEU 64 far 0 87 0 - 6.2-8.2 HA ASP 38 - QD1 LEU 64 far 0 85 0 - 8.6-11.8 HA ALA 20 - QD1 LEU 64 far 0 100 0 - 8.9-14.9 HA LYS 75 - QD1 LEU 64 far 0 90 0 - 9.5-17.1 HA THR 15 - QD1 LEU 64 far 0 93 0 - 9.7-20.6 Violated in 9 structures by 0.03 A. Peak 2650 from cnoeabs.peaks (1.70, 0.95, 23.35 ppm; 3.31 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.3 3.1=100 HG3 ARG 66 - QD1 LEU 64 far 0 100 0 - 5.9-8.5 HG LEU 29 - QD1 LEU 64 far 0 76 0 - 6.0-7.9 HG2 ARG 23 - QD1 LEU 64 far 0 65 0 - 6.1-11.3 HG2 ARG 70 - QD1 LEU 64 far 0 97 0 - 6.8-10.1 HB2 LEU 29 - QD1 LEU 64 far 0 85 0 - 6.8-8.5 HB3 LYS 85 - QD1 LEU 64 far 0 71 0 - 8.8-33.3 HB3 LYS 13 - QD1 LEU 64 far 0 90 0 - 8.9-24.9 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 5 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 - 5.6-11.6 HG LEU 62 - QD1 LEU 64 far 0 68 0 - 7.7-9.8 HG2 LYS 39 - QD1 LEU 64 far 0 99 0 - 8.6-13.2 HB3 LEU 86 - QD1 LEU 64 far 0 76 0 - 8.6-38.7 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 5 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 29 - QD1 LEU 64 far 0 100 0 - 5.3-8.0 QD2 LEU 86 - QD1 LEU 64 far 0 96 0 - 6.8-33.5 QG2 ILE 89 - QD1 LEU 64 far 0 100 0 - 7.4-37.9 QD1 LEU 43 - QD1 LEU 64 far 0 92 0 - 8.9-12.0 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 2.7-2.9 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 2.7-3.0 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): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + HA VAL 65 OK 100 100 100 100 2.2-3.1 3.2=98, 2664/3.0=43...(22) QG2 VAL 65 + HA VAL 65 OK 83 83 100 100 2.0-2.5 3.2=98, 2669/3.0=40...(21) HG13 ILE 40 + HA VAL 65 OK 35 100 40 88 4.0-5.9 2.1/5033=43, 1951=19...(22) HG13 ILE 33 - HA VAL 65 far 14 95 15 - 3.6-7.0 HG2 ARG 69 - HA VAL 65 far 0 99 0 - 6.5-9.3 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (1.21, 3.63, 67.03 ppm; 3.06 A): 3 out of 6 assignments used, quality = 1.00: * QG2 VAL 65 + HA VAL 65 OK 99 100 100 99 2.0-2.5 3.2=87, 2669/3.0=45...(22) QG1 VAL 65 + HA VAL 65 OK 82 83 100 99 2.2-3.1 3.2=87, 2664/3.0=33...(22) HG13 ILE 40 + HA VAL 65 OK 29 85 40 84 4.0-5.9 2.1/5033=39, 1951=15...(22) HG13 ILE 33 - HA VAL 65 far 10 99 10 - 3.6-7.0 HG2 ARG 69 - HA VAL 65 far 0 63 0 - 6.5-9.3 HG LEU 52 - HA VAL 65 far 0 89 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (8.38, 2.39, 31.50 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 65 + HB VAL 65 OK 100 100 100 100 2.1-2.8 736=100, 2669/2.1=73...(11) H ALA 16 - HG3 MET 11 far 0 60 0 - 9.6-17.8 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 2.7-3.0 3.0=100 HA ILE 40 - HB VAL 65 far 0 100 0 - 6.7-9.4 HD3 PRO 14 - HG3 MET 11 far 0 93 0 - 7.0-11.9 HA ARG 69 - HB VAL 65 far 0 100 0 - 8.0-9.7 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 6 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 - 4.7-7.3 HG13 ILE 33 - HB VAL 65 far 0 95 0 - 4.9-8.1 HG2 ARG 69 - HB VAL 65 far 0 99 0 - 7.2-10.7 HG13 ILE 33 - HG3 MET 11 far 0 94 0 - 9.1-35.2 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (1.21, 2.39, 31.50 ppm; 3.07 A): 2 out of 8 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 HG13 ILE 40 - HB VAL 65 far 0 85 0 - 4.7-7.3 HG13 ILE 33 - HB VAL 65 far 0 99 0 - 4.9-8.1 HG LEU 52 - HB VAL 65 far 0 89 0 - 5.3-7.5 HG2 ARG 69 - HB VAL 65 far 0 63 0 - 7.2-10.7 HG13 ILE 33 - HG3 MET 11 far 0 99 0 - 9.1-35.2 QG2 THR 15 - HG3 MET 11 far 0 80 0 - 9.2-14.1 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 2.8-3.8 736/2.1=79, 4.0=77...(21) Violated in 8 structures by 0.03 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 2.2-3.1 3.2=100 HA ILE 40 + QG1 VAL 65 OK 22 100 25 89 3.6-7.1 5120/4718=27...(23) HA ARG 69 - QG1 VAL 65 far 0 100 0 - 5.4-7.4 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 3 assignments used, quality = 1.00: * HB VAL 65 + QG1 VAL 65 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 59 - QG1 VAL 65 far 0 97 0 - 7.7-12.1 HG2 GLU 50 - QG1 VAL 65 far 0 87 0 - 9.2-11.4 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 1.9-3.6 736/2.1=68, 4.0=57...(22) Violated in 12 structures by 0.09 A. Peak 2670 from cnoeabs.peaks (3.63, 1.21, 23.08 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 65 + QG2 VAL 65 OK 100 100 100 100 2.0-2.5 3.2=100 HA ILE 40 - QG2 VAL 65 poor 20 100 25 79 4.2-7.6 3.2/4724=15...(20) HA ARG 69 - QG2 VAL 65 far 0 100 0 - 5.9-9.2 HD3 PRO 14 - QG2 VAL 65 far 0 93 0 - 9.7-22.6 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 - 8.0-11.6 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 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (3.98, 3.98, 60.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 66 + HA ARG 66 OK 100 100 - 100 Peak 2676 from cnoeabs.peaks (1.88, 3.98, 60.19 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.3-2.6 3.0=100 HB ILE 68 + HA ARG 66 OK 36 81 70 65 4.5-5.6 3.9/5809=21, 4.4/5378=21...(9) HG12 ILE 40 - HA ARG 66 far 0 60 0 - 6.9-9.3 HB2 ARG 71 - HA ARG 66 far 0 76 0 - 7.6-10.1 HB3 ARG 71 - HA ARG 66 far 0 78 0 - 8.4-10.1 HB2 LYS 39 - HA ARG 66 far 0 81 0 - 9.6-14.1 HB3 ARG 27 - HA ARG 66 far 0 78 0 - 9.9-12.7 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 6 assignments used, quality = 1.00: * HB3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 70 - HA ARG 66 far 9 95 10 - 4.7-8.3 HG13 ILE 68 - HA ARG 66 far 9 87 10 - 4.8-7.8 HB3 ARG 70 - HA ARG 66 poor 6 95 25 27 4.5-7.6 4.1/5378=16, 2.9/2679=6...(5) HB2 GLN 79 - HA ARG 66 far 0 71 0 - 6.9-21.7 HB VAL 41 - HA ARG 66 far 0 96 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2678 from cnoeabs.peaks (2.01, 3.98, 60.19 ppm; 3.85 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.4-3.8 4.1=85, 1.8/2707=70...(45) HD2 ARG 69 + HA ARG 66 OK 44 83 60 88 3.6-6.8 3.9/5047=41, 3.9/4766=37...(11) HD3 ARG 69 + HA ARG 66 OK 33 83 45 88 3.2-6.9 3.9/5047=41, 3.9/4766=37...(11) HB3 GLN 79 - HA ARG 66 far 5 90 5 - 5.3-22.3 QE MET 31 - HA ARG 66 far 0 81 0 - 8.1-10.6 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 5 assignments used, quality = 1.00: * HG3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.5-3.9 2707=85, 1.8/2699=65...(41) HG2 ARG 70 - HA ARG 66 poor 11 95 35 34 3.7-8.0 4.9/3924=13, 2864/3.6=10...(7) HB3 LEU 64 - HA ARG 66 far 0 100 0 - 8.1-8.6 HB2 LEU 43 - HA ARG 66 far 0 60 0 - 8.7-10.7 HB2 ARG 82 - HA ARG 66 far 0 100 0 - 9.2-31.5 Violated in 2 structures by 0.01 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 2.3-5.1 3.0/2707=76, 5.2=72...(49) HD3 ARG 66 + HA ARG 66 OK 100 100 100 100 3.1-5.5 3.0/2707=76, 5.2=72...(47) HD3 ARG 70 - HA ARG 66 poor 10 92 30 38 4.7-9.1 6.3/3924=14, 3.0/2679=8...(7) HD2 ARG 70 - HA ARG 66 poor 9 89 25 39 4.5-8.6 6.3/3924=14, 5806/3.6=8...(7) HD3 ARG 71 - HA ARG 66 far 0 97 0 - 7.9-10.9 HD2 ARG 27 - HA ARG 66 far 0 83 0 - 9.2-13.7 HD3 ARG 27 - HA ARG 66 far 0 83 0 - 9.7-14.3 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 3.1-5.5 3.0/2707=76, 5.2=72...(47) HD2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.3-5.1 3.0/2707=76, 5.2=72...(49) HD3 ARG 70 - HA ARG 66 poor 10 89 30 38 4.7-9.1 6.3/3924=14, 3.0/2679=8...(7) HD2 ARG 70 - HA ARG 66 poor 8 85 25 39 4.5-8.6 6.3/3924=14, 5806/3.6=8...(7) HD3 ARG 71 - HA ARG 66 far 0 95 0 - 7.9-10.9 HD2 ARG 27 - HA ARG 66 far 0 87 0 - 9.2-13.7 HD3 ARG 27 - HA ARG 66 far 0 87 0 - 9.7-14.3 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 2.9-3.6 4.0=100 H ARG 66 - HB3 ARG 27 far 0 61 0 - 8.0-11.5 H ARG 66 - HB2 ARG 71 far 0 55 0 - 8.2-10.8 H ARG 66 - HB2 ARG 27 far 0 58 0 - 9.0-11.5 H ARG 66 - HB3 ARG 71 far 0 57 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (3.98, 1.88, 29.95 ppm; 4.15 A): 5 out of 47 assignments used, quality = 1.00: * HA ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.3-2.6 3.0=100 HA ALA 28 + HB2 ARG 27 OK 40 43 100 93 4.0-5.5 3.0/71=29, ~71=23...(19) HA2 GLY 72 + HB2 ARG 71 OK 40 47 100 86 4.1-5.6 3.0/314=27, ~314=22...(13) HA ALA 28 + HB3 ARG 27 OK 38 45 90 93 3.8-5.7 3.0/71=29, ~70=23...(19) HA2 GLY 72 + HB3 ARG 71 OK 35 48 85 86 3.8-6.0 3.0/314=27, ~313=23...(13) HA3 GLY 21 - HB3 ARG 23 far 4 36 10 - 5.3-10.1 HA3 GLY 21 - HB3 ARG 26 far 3 66 5 - 5.1-11.3 HA2 GLY 21 - HB3 ARG 23 far 2 37 5 - 5.2-9.9 HA2 GLY 21 - HB2 ARG 23 far 2 35 5 - 5.1-9.4 HA3 GLY 21 - HB2 ARG 23 far 2 34 5 - 3.9-9.3 HA ARG 70 - HB3 ARG 71 far 2 33 5 - 5.6-6.6 HA ARG 70 - HB2 ARG 71 far 2 32 5 - 5.5-6.6 HA2 GLY 21 - HB2 ARG 26 far 0 69 0 - 5.9-11.2 HA2 GLY 72 - HB2 ARG 23 far 0 51 0 - 5.9-13.8 HA ARG 70 - HB2 ARG 66 far 0 71 0 - 5.9-9.1 HA GLN 61 - HB3 ARG 27 far 0 54 0 - 6.0-10.3 HA2 GLY 21 - HB3 ARG 26 far 0 69 0 - 6.4-11.8 HA3 GLY 21 - HB2 ARG 26 far 0 67 0 - 6.4-10.9 HA2 GLY 72 - HB3 ARG 23 far 0 54 0 - 7.0-14.2 HA3 GLY 21 - HB3 ARG 71 far 0 32 0 - 7.0-19.8 HA2 GLY 72 - HB2 ARG 27 far 0 50 0 - 7.0-12.8 HA3 GLY 21 - HB2 ARG 71 far 0 31 0 - 7.1-19.3 HA ALA 28 - HB3 ARG 26 far 0 83 0 - 7.4-8.6 HA ALA 28 - HB2 ARG 26 far 0 84 0 - 7.5-8.1 HA GLN 61 - HB2 ARG 27 far 0 52 0 - 7.6-10.4 HA2 GLY 72 - HB3 ARG 27 far 0 52 0 - 7.6-12.8 HA ARG 66 - HB2 ARG 71 far 0 55 0 - 7.6-10.1 HA3 GLY 21 - HB2 ARG 27 far 0 33 0 - 8.2-12.2 HA VAL 76 - HB3 ARG 71 far 0 53 0 - 8.3-14.4 HA ARG 66 - HB3 ARG 71 far 0 57 0 - 8.4-10.1 HA2 GLY 21 - HB3 ARG 71 far 0 33 0 - 8.4-19.1 HA LYS 32 - HB3 ARG 27 far 0 61 0 - 8.5-11.3 HA2 GLY 21 - HB2 ARG 71 far 0 32 0 - 8.6-18.4 HA ALA 28 - HB2 ARG 71 far 0 40 0 - 8.9-12.8 HA ALA 28 - HB3 ARG 71 far 0 42 0 - 9.0-14.2 HA GLN 61 - HB2 ARG 66 far 0 96 0 - 9.2-10.3 HA LYS 32 - HB2 ARG 27 far 0 58 0 - 9.2-11.4 HA2 GLY 72 - HB2 ARG 66 far 0 93 0 - 9.3-12.6 HA2 GLY 21 - HB2 ARG 27 far 0 34 0 - 9.4-13.5 HA VAL 76 - HB2 ARG 66 far 0 98 0 - 9.4-18.8 HA VAL 76 - HB2 ARG 71 far 0 51 0 - 9.5-14.2 HA VAL 76 - HB2 ARG 23 far 0 56 0 - 9.6-24.4 HA ALA 28 - HB3 ARG 23 far 0 47 0 - 9.7-12.2 HA3 GLY 21 - HB3 ARG 27 far 0 34 0 - 9.7-13.7 HA2 GLY 72 - HB2 ARG 26 far 0 92 0 - 9.8-16.1 HA LYS 32 - HB3 ARG 26 far 0 99 0 - 9.8-11.4 HA ARG 66 - HB3 ARG 27 far 0 61 0 - 9.9-12.7 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 30 assignments used, quality = 1.00: * HB3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 70 - HB2 ARG 66 far 9 95 10 - 3.9-9.4 HB3 ARG 70 - HB2 ARG 66 far 9 95 10 - 4.1-7.7 HB2 ARG 70 - HB2 ARG 71 far 2 48 5 - 4.1-7.1 HG13 ILE 68 - HB2 ARG 27 far 2 45 5 - 4.1-7.2 HG13 ILE 68 - HB3 ARG 27 far 0 46 0 - 4.3-6.5 HB3 ARG 70 - HB3 ARG 71 far 0 50 0 - 4.3-7.3 HB3 ARG 70 - HB2 ARG 71 far 0 48 0 - 4.6-7.1 HB2 MET 31 - HB3 ARG 27 far 0 59 0 - 4.7-7.4 HG13 ILE 68 - HB2 ARG 71 far 0 42 0 - 4.8-8.1 HB2 ARG 70 - HB3 ARG 71 far 0 50 0 - 5.1-7.1 HB2 MET 31 - HB2 ARG 27 far 0 57 0 - 5.3-8.3 HB2 GLN 79 - HB2 ARG 66 far 0 71 0 - 5.4-22.3 HG13 ILE 68 - HB3 ARG 71 far 0 43 0 - 6.0-9.8 HG13 ILE 68 - HB2 ARG 66 far 0 87 0 - 6.6-9.2 HG13 ILE 68 - HB2 ARG 23 far 0 46 0 - 7.2-12.2 HG13 ILE 68 - HB3 ARG 23 far 0 48 0 - 7.6-13.2 HB VAL 41 - HB2 ARG 71 far 0 49 0 - 7.7-11.6 HB3 ARG 66 - HB2 ARG 71 far 0 55 0 - 7.8-11.7 HB2 MET 31 - HB3 ARG 26 far 0 98 0 - 7.9-10.5 HB2 GLN 79 - HB3 ARG 23 far 0 37 0 - 8.2-28.7 HB VAL 41 - HB3 ARG 71 far 0 51 0 - 8.3-12.6 HB2 MET 31 - HB2 ARG 26 far 0 99 0 - 8.5-10.8 HB2 GLN 79 - HB2 ARG 23 far 0 35 0 - 8.5-28.8 HB3 ARG 66 - HB3 ARG 71 far 0 57 0 - 8.6-11.3 HG13 ILE 68 - HB2 ARG 26 far 0 86 0 - 9.2-11.4 HB2 GLN 79 - HB2 ARG 26 far 0 69 0 - 9.4-31.0 HB3 ARG 66 - HB3 ARG 27 far 0 61 0 - 9.8-13.6 HG LEU 57 - HB2 ARG 66 far 0 95 0 - 9.9-12.6 HG13 ILE 68 - HB3 ARG 26 far 0 85 0 - 10.0-12.2 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 38 assignments used, quality = 1.00: * HG2 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.4-3.0 2.8=100 HB3 GLN 79 - HB2 ARG 66 far 5 90 5 - 4.2-23.1 HD3 ARG 69 - HB2 ARG 66 far 4 83 5 - 4.4-8.4 HD2 ARG 69 - HB2 ARG 66 far 4 83 5 - 4.6-8.5 HG3 PRO 14 - HB3 ARG 26 far 3 66 5 - 4.3-27.1 QE MET 31 - HB3 ARG 27 far 2 42 5 - 3.0-7.8 QE MET 31 - HB2 ARG 27 far 2 40 5 - 3.9-8.3 HG2 PRO 14 - HB3 ARG 26 far 0 66 0 - 4.8-25.6 QE MET 31 - HB3 ARG 26 far 0 79 0 - 5.6-11.2 HG3 PRO 14 - HB2 ARG 26 far 0 67 0 - 5.9-27.9 HG2 PRO 14 - HB2 ARG 26 far 0 67 0 - 6.1-26.4 QE MET 31 - HB2 ARG 26 far 0 79 0 - 6.4-10.3 HD2 ARG 69 - HB2 ARG 71 far 0 39 0 - 6.9-11.3 HB3 GLU 19 - HB3 ARG 26 far 0 61 0 - 7.7-16.6 HB3 GLN 79 - HB3 ARG 23 far 0 51 0 - 7.7-27.9 HG2 ARG 66 - HB3 ARG 71 far 0 57 0 - 7.8-12.5 HG2 ARG 66 - HB2 ARG 71 far 0 55 0 - 7.8-12.1 HB3 GLU 19 - HB2 ARG 26 far 0 62 0 - 8.0-14.9 HD3 ARG 69 - HB2 ARG 71 far 0 39 0 - 8.1-11.6 HD2 ARG 69 - HB3 ARG 71 far 0 41 0 - 8.2-11.6 HG3 PRO 14 - HB2 ARG 27 far 0 33 0 - 8.2-28.6 QE MET 31 - HB3 ARG 23 far 0 44 0 - 8.2-13.7 HB3 GLN 79 - HB2 ARG 23 far 0 49 0 - 8.3-28.0 HB3 GLU 19 - HB3 ARG 23 far 0 32 0 - 8.4-16.2 QE MET 31 - HB2 ARG 66 far 0 81 0 - 8.5-11.2 HB3 GLN 79 - HB3 ARG 71 far 0 46 0 - 8.9-18.6 HB3 GLU 19 - HB2 ARG 23 far 0 31 0 - 9.0-15.5 HG2 PRO 14 - HB2 ARG 27 far 0 33 0 - 9.0-27.0 HG3 PRO 14 - HB3 ARG 27 far 0 34 0 - 9.1-28.3 HB3 GLU 19 - HB3 ARG 71 far 0 29 0 - 9.1-23.0 HD3 ARG 69 - HB3 ARG 71 far 0 41 0 - 9.1-12.2 QE MET 31 - HB2 ARG 23 far 0 42 0 - 9.1-14.3 HB3 GLN 79 - HB2 ARG 71 far 0 44 0 - 9.4-18.5 QE MET 31 - HB2 ARG 71 far 0 38 0 - 9.4-14.7 HG2 ARG 66 - HB3 ARG 27 far 0 61 0 - 9.7-13.9 HB3 MET 11 - HB3 ARG 26 far 0 99 0 - 9.8-34.2 HG2 PRO 14 - HB3 ARG 27 far 0 34 0 - 9.8-26.7 HB3 GLU 19 - HB2 ARG 27 far 0 30 0 - 9.8-18.3 Violated in 0 structures by 0.00 A. Peak 2687 from cnoeabs.peaks (1.70, 1.88, 29.95 ppm; 3.18 A): 6 out of 48 assignments used, quality = 1.00: * HG3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HG LEU 29 + HB3 ARG 26 OK 57 79 90 80 3.6-4.8 5929/3.0=19, ~5394=15...(20) HG2 ARG 23 + HB3 ARG 23 OK 37 37 100 100 2.3-3.0 3.0=100 HG2 ARG 23 + HB2 ARG 23 OK 35 35 100 100 2.3-3.0 3.0=100 HB2 LEU 29 + HB3 ARG 26 OK 28 79 45 79 3.9-7.2 5348/3.0=31, ~5394=23...(17) HG2 ARG 70 + HB2 ARG 71 OK 22 48 65 70 3.6-6.7 307/4.0=27, 5395/3.0=15...(20) HG2 ARG 70 - HB3 ARG 71 poor 20 50 40 - 2.8-7.7 HB3 LEU 64 - HB3 ARG 27 poor 15 60 35 69 2.3-6.6 3.1/5028=20, 3.1/5022=17...(13) HG2 ARG 23 - HB2 ARG 26 poor 14 69 20 - 2.8-9.0 HG LEU 29 - HB2 ARG 26 far 12 79 15 - 4.2-5.2 HB3 LEU 64 - HB2 ARG 27 far 9 58 15 - 3.9-7.1 HB2 LEU 29 - HB2 ARG 26 far 8 79 10 - 4.1-7.5 HG2 ARG 70 - HB2 ARG 66 lone 4 95 25 18 3.3-8.9 2864/4.6=5, 5052/5294=5...(5) HG2 ARG 23 - HB3 ARG 26 far 3 69 5 - 4.2-8.4 HG2 ARG 23 - HB2 ARG 27 far 3 34 10 - 3.2-9.5 HG2 ARG 23 - HB3 ARG 27 far 0 36 0 - 4.8-11.0 HG LEU 29 - HB2 ARG 27 far 0 40 0 - 5.6-7.4 HG LEU 29 - HB3 ARG 27 far 0 42 0 - 5.7-7.3 HB2 LEU 29 - HB2 ARG 27 far 0 40 0 - 6.4-8.7 HB2 LEU 29 - HB3 ARG 27 far 0 42 0 - 6.5-8.8 HB2 ARG 82 - HB2 ARG 66 far 0 100 0 - 6.7-32.0 HG2 ARG 23 - HB3 ARG 71 far 0 33 0 - 6.7-14.8 HG3 ARG 66 - HB2 ARG 71 far 0 55 0 - 7.0-12.2 HG2 ARG 23 - HB2 ARG 71 far 0 32 0 - 7.6-14.6 HB3 LYS 13 - HB3 ARG 26 far 0 92 0 - 7.7-28.3 HB3 LEU 64 - HB2 ARG 71 far 0 55 0 - 7.8-10.5 HG3 ARG 66 - HB3 ARG 71 far 0 57 0 - 8.2-12.7 HB3 LEU 64 - HB3 ARG 26 far 0 99 0 - 8.2-12.0 HB3 LEU 64 - HB2 ARG 26 far 0 100 0 - 8.3-11.3 HB3 LYS 13 - HB2 ARG 26 far 0 92 0 - 8.3-29.5 HG LEU 29 - HB3 ARG 23 far 0 44 0 - 8.4-11.2 HB3 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.4-9.3 HB3 LEU 64 - HB3 ARG 23 far 0 63 0 - 8.6-14.8 HG LEU 29 - HB2 ARG 23 far 0 42 0 - 8.9-11.2 HG3 ARG 66 - HB3 ARG 27 far 0 61 0 - 8.9-14.0 HB2 LEU 29 - HB3 ARG 23 far 0 44 0 - 9.0-13.0 HB3 LEU 64 - HB3 ARG 71 far 0 57 0 - 9.2-11.3 HG2 ARG 70 - HB2 ARG 23 far 0 52 0 - 9.3-17.5 HB3 LEU 64 - HB2 ARG 23 far 0 60 0 - 9.3-14.6 HG2 ARG 70 - HB3 ARG 27 far 0 53 0 - 9.5-14.1 HB2 ARG 82 - HB2 ARG 23 far 0 60 0 - 9.5-35.9 HB3 LYS 83 - HB3 ARG 71 far 0 38 0 - 9.6-30.1 HG2 ARG 70 - HB2 ARG 27 far 0 51 0 - 9.6-14.8 HB3 LYS 83 - HB2 ARG 66 far 0 78 0 - 9.8-32.8 HB3 LYS 13 - HB3 ARG 27 far 0 52 0 - 9.8-30.0 HB2 ARG 82 - HB2 ARG 26 far 0 100 0 - 9.8-41.4 HB3 LYS 85 - HB3 ARG 71 far 0 30 0 - 9.8-33.4 HG3 ARG 66 - HB2 ARG 27 far 0 58 0 - 10.0-14.1 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 69 assignments used, quality = 1.00: * HD2 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD3 ARG 26 + HB2 ARG 26 OK 91 92 100 98 2.2-4.2 3.5=83, 532/3.9=11...(58) HD3 ARG 26 + HB3 ARG 26 OK 90 92 100 98 2.0-3.7 3.5=83, 532/3.9=11...(58) HD2 ARG 26 + HB2 ARG 26 OK 89 91 100 98 2.7-3.8 3.5=83, 532/3.9=11...(58) HD2 ARG 26 + HB3 ARG 26 OK 89 90 100 98 2.1-4.2 3.5=83, 532/3.9=11...(58) HD3 ARG 71 + HB3 ARG 71 OK 51 52 100 98 2.1-4.1 3.5=78, ~2937=23...(44) HD3 ARG 71 + HB2 ARG 71 OK 49 50 100 98 2.5-3.9 3.5=78, ~2937=23...(44) HD2 ARG 27 + HB3 ARG 27 OK 43 43 100 99 2.1-4.2 3.5=77, ~1419=8...(62) HD3 ARG 27 + HB3 ARG 27 OK 43 43 100 99 2.0-3.8 3.5=77, ~1419=8...(62) HD2 ARG 27 + HB2 ARG 27 OK 41 42 100 99 2.3-4.0 3.5=77, ~1419=8...(62) HD3 ARG 27 + HB2 ARG 27 OK 41 42 100 99 2.2-4.2 3.5=77, ~1419=8...(62) 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 23 + HB3 ARG 23 OK 38 39 100 98 2.2-3.6 3.5=78, 2.9/1287=19...(35) HD3 ARG 23 + HB2 ARG 23 OK 36 37 100 98 2.0-3.9 3.5=78, 2.9/1287=19...(36) HD2 ARG 23 + HB2 ARG 23 OK 36 37 100 98 2.3-3.7 3.5=78, 2.9/1287=19...(36) HD2 ARG 70 - HB2 ARG 66 far 9 89 10 - 2.8-9.7 HD3 ARG 27 - HB2 ARG 26 far 8 81 10 - 4.3-8.1 HD2 ARG 23 - HB2 ARG 26 far 7 72 10 - 4.3-9.9 HD3 ARG 26 - HB3 ARG 23 far 5 54 10 - 3.9-8.8 HD3 ARG 23 - HB2 ARG 26 far 4 72 5 - 4.5-10.1 HD3 ARG 71 - HB3 ARG 27 far 3 55 5 - 4.6-13.7 HD3 ARG 71 - HB2 ARG 23 far 3 54 5 - 4.1-15.4 HD3 ARG 71 - HB2 ARG 27 far 3 53 5 - 4.0-14.1 HD2 ARG 26 - HB3 ARG 23 far 3 52 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 3 51 5 - 4.7-9.6 HD2 ARG 26 - HB3 ARG 27 far 3 50 5 - 4.6-9.7 HD3 ARG 70 - HB2 ARG 66 lone 2 92 25 11 3.4-9.7 5806/4.6=2, ~2679=2...(5) HD3 ARG 26 - HB2 ARG 27 far 2 50 5 - 4.1-8.9 HD2 ARG 26 - HB2 ARG 27 far 2 49 5 - 3.5-8.5 HD2 ARG 70 - HB3 ARG 71 far 2 45 5 - 4.2-9.2 HD3 ARG 27 - HB3 ARG 26 far 0 81 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 50 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 36 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 52 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 45 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.2-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 47 0 - 5.2-9.5 HD3 ARG 71 - HB3 ARG 23 far 0 57 0 - 5.3-15.5 HD2 ARG 27 - HB2 ARG 26 far 0 81 0 - 5.3-8.0 HD3 ARG 70 - HB2 ARG 71 far 0 46 0 - 5.3-8.7 HD2 ARG 70 - HB2 ARG 71 far 0 43 0 - 5.3-8.3 HD3 ARG 23 - HB2 ARG 27 far 0 36 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 37 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 43 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 45 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 39 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 43 0 - 5.7-11.1 HD2 ARG 27 - HB3 ARG 26 far 0 81 0 - 5.9-8.5 HD2 ARG 27 - HB3 ARG 71 far 0 41 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 37 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 39 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 35 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 41 0 - 7.2-12.9 HD3 ARG 71 - HB2 ARG 66 far 0 97 0 - 7.6-12.3 HD3 ARG 71 - HB2 ARG 26 far 0 96 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 35 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 33 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.6-12.8 HD2 ARG 23 - HB2 ARG 71 far 0 33 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 58 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 95 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 58 0 - 9.4-23.1 HD3 ARG 66 - HB3 ARG 71 far 0 57 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 49 0 - 9.7-16.6 HD3 ARG 70 - HB3 ARG 27 far 0 50 0 - 9.9-15.7 HD3 ARG 17 - HB3 ARG 71 far 0 27 0 - 9.9-27.3 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 69 assignments used, quality = 1.00: * HD3 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.1-3.8 3.4=84, ~2701=19...(20) HD2 ARG 66 + HB2 ARG 66 OK 98 100 100 98 2.0-4.0 3.4=84, ~2701=19...(20) HD3 ARG 26 + HB2 ARG 26 OK 93 95 100 98 2.2-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 26 + HB3 ARG 26 OK 93 94 100 98 2.0-3.7 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB2 ARG 26 OK 92 93 100 98 2.7-3.8 3.5=83, 532/3.9=12...(58) HD2 ARG 26 + HB3 ARG 26 OK 91 93 100 98 2.1-4.2 3.5=83, 532/3.9=12...(58) HD3 ARG 71 + HB3 ARG 71 OK 49 50 100 98 2.1-4.1 3.5=78, ~2937=23...(44) HD3 ARG 71 + HB2 ARG 71 OK 47 48 100 98 2.5-3.9 3.5=78, ~2937=23...(44) HD2 ARG 27 + HB3 ARG 27 OK 46 46 100 99 2.1-4.2 3.5=77, ~1419=8...(62) HD3 ARG 27 + HB3 ARG 27 OK 46 46 100 99 2.0-3.8 3.5=77, 1420/3.0=8...(62) HD2 ARG 27 + HB2 ARG 27 OK 44 45 100 99 2.3-4.0 3.5=77, ~1419=8...(62) HD3 ARG 27 + HB2 ARG 27 OK 44 45 100 99 2.2-4.2 3.5=77, 1420/3.0=8...(62) HD2 ARG 23 + HB3 ARG 23 OK 41 42 100 99 2.1-3.9 3.5=78, 2.9/1287=19...(35) HD3 ARG 23 + HB3 ARG 23 OK 41 42 100 99 2.2-3.6 3.5=78, 2.9/1287=19...(35) HD3 ARG 23 + HB2 ARG 23 OK 39 40 100 99 2.0-3.9 3.5=78, 2.9/1287=19...(36) HD2 ARG 23 + HB2 ARG 23 OK 39 40 100 99 2.3-3.7 3.5=78, 2.9/1287=19...(36) HD3 ARG 27 - HB2 ARG 26 far 9 86 10 - 4.3-8.1 HD2 ARG 70 - HB2 ARG 66 far 8 85 10 - 2.8-9.7 HD2 ARG 23 - HB2 ARG 26 far 8 77 10 - 4.3-9.9 HD3 ARG 26 - HB3 ARG 23 far 6 56 10 - 3.9-8.8 HD3 ARG 23 - HB2 ARG 26 far 4 77 5 - 4.5-10.1 HD2 ARG 26 - HB3 ARG 23 far 3 55 5 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 23 far 3 53 5 - 4.7-9.6 HD3 ARG 71 - HB3 ARG 27 far 3 53 5 - 4.6-13.7 HD2 ARG 26 - HB3 ARG 27 far 3 53 5 - 4.6-9.7 HD3 ARG 71 - HB2 ARG 23 far 3 52 5 - 4.1-15.4 HD3 ARG 26 - HB2 ARG 27 far 3 52 5 - 4.1-8.9 HD2 ARG 26 - HB2 ARG 27 far 3 51 5 - 3.5-8.5 HD3 ARG 71 - HB2 ARG 27 far 3 51 5 - 4.0-14.1 HD3 ARG 70 - HB2 ARG 66 lone 2 89 25 11 3.4-9.7 5806/4.6=2, ~2679=2...(5) HD2 ARG 70 - HB3 ARG 71 far 2 42 5 - 4.2-9.2 HD3 ARG 27 - HB3 ARG 26 far 0 85 0 - 4.8-8.7 HD2 ARG 26 - HB2 ARG 23 far 0 52 0 - 4.9-9.2 HD2 ARG 23 - HB2 ARG 27 far 0 39 0 - 4.9-10.8 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 4.9-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 48 0 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.2-9.8 HD3 ARG 70 - HB3 ARG 71 far 0 45 0 - 5.2-9.5 HD3 ARG 71 - HB3 ARG 23 far 0 55 0 - 5.3-15.5 HD2 ARG 27 - HB2 ARG 26 far 0 86 0 - 5.3-8.0 HD3 ARG 70 - HB2 ARG 71 far 0 43 0 - 5.3-8.7 HD2 ARG 70 - HB2 ARG 71 far 0 40 0 - 5.3-8.3 HD3 ARG 23 - HB2 ARG 27 far 0 39 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 40 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 46 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 48 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 42 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 46 0 - 5.7-11.1 HD2 ARG 27 - HB3 ARG 26 far 0 85 0 - 5.9-8.5 HD2 ARG 27 - HB3 ARG 71 far 0 43 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 40 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 42 0 - 6.5-12.1 HD3 ARG 23 - HB3 ARG 71 far 0 38 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 43 0 - 7.2-12.9 HD3 ARG 71 - HB2 ARG 66 far 0 95 0 - 7.6-12.3 HD3 ARG 71 - HB2 ARG 26 far 0 93 0 - 7.9-17.9 HD2 ARG 23 - HB3 ARG 71 far 0 38 0 - 7.9-14.1 HD3 ARG 23 - HB2 ARG 71 far 0 36 0 - 8.4-13.9 HD3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.6-12.8 HD2 ARG 23 - HB2 ARG 71 far 0 36 0 - 9.0-14.2 HD2 ARG 17 - HB3 ARG 26 far 0 64 0 - 9.2-23.0 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 9.3-13.8 HD3 ARG 71 - HB3 ARG 26 far 0 93 0 - 9.3-19.4 HD3 ARG 17 - HB3 ARG 26 far 0 64 0 - 9.4-23.1 HD3 ARG 66 - HB3 ARG 71 far 0 57 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 46 0 - 9.7-16.6 HD3 ARG 70 - HB3 ARG 27 far 0 48 0 - 9.9-15.7 HD3 ARG 17 - HB3 ARG 71 far 0 30 0 - 9.9-27.3 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (8.59, 1.94, 29.95 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-3.6 4.0=100 H ARG 66 - HB3 ARG 70 far 0 89 0 - 5.9-9.6 H ARG 66 - HB2 ARG 70 far 0 89 0 - 6.6-10.1 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 2.5-3.0 3.0=100 HA ARG 70 + HB2 ARG 70 OK 57 57 100 100 2.3-3.0 3.0=100 HA ARG 70 + HB3 ARG 70 OK 57 57 100 100 2.4-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 13 89 15 - 4.5-7.6 HA ARG 66 - HB2 ARG 70 far 9 89 10 - 4.7-8.3 HA VAL 76 - HB2 ARG 70 far 4 85 5 - 4.4-14.3 HA VAL 76 - HB3 ARG 70 far 4 85 5 - 4.7-14.0 HA2 GLY 72 - HB3 ARG 70 far 0 79 0 - 6.5-8.6 HA ARG 70 - HB3 ARG 66 far 0 71 0 - 6.6-9.0 HA2 GLY 72 - HB2 ARG 70 far 0 79 0 - 6.8-8.3 HA GLN 61 - HB3 ARG 66 far 0 96 0 - 8.0-10.0 HA2 GLY 72 - HB3 ARG 66 far 0 93 0 - 9.4-12.8 HA VAL 76 - HB3 ARG 66 far 0 98 0 - 9.8-19.6 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 16 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 - HB2 ARG 70 far 4 89 5 - 3.9-9.4 HB2 ARG 71 - HB2 ARG 70 far 0 61 0 - 4.1-7.1 HB2 ARG 66 - HB3 ARG 70 far 0 89 0 - 4.1-7.7 HB3 ARG 71 - HB3 ARG 70 far 0 64 0 - 4.3-7.3 HB2 ARG 71 - HB3 ARG 70 far 0 61 0 - 4.6-7.1 HB3 ARG 71 - HB2 ARG 70 far 0 64 0 - 5.1-7.1 HB ILE 68 - HB3 ARG 70 far 0 66 0 - 5.9-9.0 HB ILE 68 - HB3 ARG 66 far 0 81 0 - 6.2-7.4 HB ILE 68 - HB2 ARG 70 far 0 66 0 - 6.9-9.0 HB2 ARG 71 - HB3 ARG 66 far 0 76 0 - 7.8-11.7 HB3 ARG 71 - HB3 ARG 66 far 0 78 0 - 8.6-11.3 HG12 ILE 40 - HB3 ARG 66 far 0 60 0 - 9.2-11.7 HB3 PRO 14 - HB2 ARG 70 far 0 83 0 - 9.3-37.0 HB3 PRO 14 - HB3 ARG 70 far 0 83 0 - 9.7-35.5 HB3 ARG 27 - HB3 ARG 66 far 0 78 0 - 9.8-13.6 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 18 assignments used, quality = 1.00: * HG2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HD2 ARG 69 - HB3 ARG 70 poor 14 68 20 - 3.2-9.0 HD2 ARG 69 - HB2 ARG 70 poor 14 68 20 - 3.5-9.3 HB3 GLN 79 - HB3 ARG 70 far 4 75 5 - 4.5-19.0 HD3 ARG 69 - HB3 ARG 70 far 3 68 5 - 4.3-8.7 HG2 ARG 66 - HB3 ARG 70 far 0 89 0 - 4.7-9.8 HG2 ARG 66 - HB2 ARG 70 far 0 89 0 - 4.9-10.5 HD3 ARG 69 - HB2 ARG 70 far 0 68 0 - 5.1-8.5 HB3 GLN 79 - HB2 ARG 70 far 0 75 0 - 5.5-18.1 HD3 ARG 69 - HB3 ARG 66 far 0 83 0 - 5.8-9.5 HB3 GLN 79 - HB3 ARG 66 far 0 90 0 - 6.0-23.6 HD2 ARG 69 - HB3 ARG 66 far 0 83 0 - 6.1-9.5 QE MET 31 - HB3 ARG 66 far 0 81 0 - 7.1-10.1 HG2 PRO 14 - HB2 ARG 70 far 0 55 0 - 8.6-36.0 HG3 PRO 14 - HB2 ARG 70 far 0 55 0 - 8.7-37.2 HG3 PRO 14 - HB3 ARG 70 far 0 55 0 - 9.1-36.0 HG2 PRO 14 - HB3 ARG 70 far 0 55 0 - 9.2-34.8 HG3 PRO 14 - HB3 ARG 66 far 0 68 0 - 9.9-32.9 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 16 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 + HB2 ARG 70 OK 80 80 100 100 2.2-3.0 2.9=100 HG2 ARG 70 + HB3 ARG 70 OK 80 80 100 100 2.3-3.0 2.9=100 HG2 ARG 70 - HB3 ARG 66 far 9 95 10 - 4.5-9.0 HG3 ARG 66 - HB3 ARG 70 far 4 89 5 - 4.8-10.2 HG3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.8-10.7 HB2 ARG 82 - HB2 ARG 70 far 0 89 0 - 5.9-28.8 HB2 ARG 82 - HB3 ARG 70 far 0 89 0 - 6.5-27.3 HB2 ARG 82 - HB3 ARG 66 far 0 100 0 - 6.8-33.6 HB3 LEU 64 - HB3 ARG 66 far 0 100 0 - 6.8-8.7 HB3 LYS 83 - HB2 ARG 70 far 0 64 0 - 8.2-29.1 HB3 LEU 64 - HB3 ARG 70 far 0 89 0 - 8.6-12.7 HB3 LYS 85 - HB2 ARG 70 far 0 52 0 - 8.6-31.9 HB3 LYS 83 - HB3 ARG 70 far 0 64 0 - 9.4-28.1 HB3 LYS 83 - HB3 ARG 66 far 0 78 0 - 9.5-33.2 HB3 LYS 85 - HB3 ARG 70 far 0 52 0 - 9.5-30.6 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 20 assignments used, quality = 1.00: * HD2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.4-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.0-4.2 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 77 77 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 77 77 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HD3 ARG 70 - HB3 ARG 66 poor 18 92 20 - 3.6-9.6 HD2 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.9-8.7 HD3 ARG 71 - HB2 ARG 70 poor 17 83 20 - 2.4-8.7 HD3 ARG 71 - HB3 ARG 70 poor 12 83 25 59 3.6-8.3 5.8/305=11, 4.7/5372=7...(18) HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 97 0 - 8.1-11.5 HD3 ARG 27 - HB3 ARG 66 far 0 83 0 - 8.9-13.8 HD2 ARG 27 - HB3 ARG 66 far 0 83 0 - 9.3-13.0 HD2 ARG 27 - HB3 ARG 70 far 0 68 0 - 9.7-15.3 HD2 ARG 27 - HB2 ARG 70 far 0 68 0 - 9.8-16.4 HD3 ARG 27 - HB2 ARG 70 far 0 68 0 - 9.9-17.4 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 20 assignments used, quality = 1.00: * HD3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.0-4.2 3.4=100 HD2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.4-4.0 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 74 74 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 74 74 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HD3 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.6-9.6 HD2 ARG 70 - HB3 ARG 66 poor 17 85 20 - 3.9-8.7 HD3 ARG 71 - HB2 ARG 70 poor 16 80 20 - 2.4-8.7 HD3 ARG 71 - HB3 ARG 70 poor 12 80 25 59 3.6-8.3 5.8/305=11, 4.7/5372=7...(18) HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 95 0 - 8.1-11.5 HD3 ARG 27 - HB3 ARG 66 far 0 87 0 - 8.9-13.8 HD2 ARG 27 - HB3 ARG 66 far 0 87 0 - 9.3-13.0 HD2 ARG 27 - HB3 ARG 70 far 0 72 0 - 9.7-15.3 HD2 ARG 27 - HB2 ARG 70 far 0 72 0 - 9.8-16.4 HD3 ARG 27 - HB2 ARG 70 far 0 72 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (3.98, 2.01, 28.91 ppm; 3.61 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.4-3.8 4.1=70, 2707/1.8=62...(39) HA VAL 76 + HB3 GLN 79 OK 21 85 35 72 2.8-10.3 16011/1.8=40...(8) HA2 GLY 21 - HB3 GLN 79 far 3 57 5 - 3.2-34.0 HA3 GLY 21 - HB3 GLN 79 far 3 55 5 - 2.7-34.7 HA ARG 66 - HB3 GLN 79 far 0 89 0 - 5.3-22.3 HA ARG 70 - HB3 GLN 79 far 0 57 0 - 5.7-17.0 HA ARG 70 - HG2 ARG 66 far 0 71 0 - 7.1-10.4 HA GLN 61 - HG2 ARG 66 far 0 96 0 - 7.4-9.1 HA2 GLY 72 - HB3 GLN 79 far 0 79 0 - 8.4-19.9 HA2 GLY 72 - HG2 ARG 66 far 0 93 0 - 9.9-13.5 Violated in 3 structures by 0.01 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 2.4-3.0 2.8=100 HB2 ARG 66 - HB3 GLN 79 far 4 89 5 - 4.2-23.1 HB ILE 68 - HG2 ARG 66 far 0 81 0 - 6.4-8.3 HB3 ARG 23 - HB3 GLN 79 far 0 50 0 - 7.7-27.9 HG12 ILE 40 - HG2 ARG 66 far 0 60 0 - 7.8-11.5 HB3 ARG 71 - HG2 ARG 66 far 0 78 0 - 7.8-12.5 HB2 ARG 71 - HG2 ARG 66 far 0 76 0 - 7.8-12.1 HB2 ARG 23 - HB3 GLN 79 far 0 48 0 - 8.3-28.0 HB3 ARG 71 - HB3 GLN 79 far 0 64 0 - 8.9-18.6 HB2 ARG 71 - HB3 GLN 79 far 0 61 0 - 9.4-18.5 HB3 ARG 27 - HG2 ARG 66 far 0 78 0 - 9.7-13.9 HB2 LYS 39 - HG2 ARG 66 far 0 81 0 - 10.0-16.0 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 12 assignments used, quality = 0.95: * HB3 ARG 66 + HG2 ARG 66 OK 89 100 100 89 2.2-3.0 2.8=62, 742/743=22...(21) HB2 GLN 79 + HB3 GLN 79 OK 57 57 100 100 1.8-1.8 1.8=100 HB3 ARG 70 - HB3 GLN 79 far 0 80 0 - 4.5-19.0 HB3 ARG 70 - HG2 ARG 66 far 0 95 0 - 4.7-9.8 HB2 ARG 70 - HG2 ARG 66 far 0 95 0 - 4.9-10.5 HB2 ARG 70 - HB3 GLN 79 far 0 80 0 - 5.5-18.1 HB3 ARG 66 - HB3 GLN 79 far 0 89 0 - 6.0-23.6 HG13 ILE 68 - HG2 ARG 66 far 0 87 0 - 6.1-9.4 HB2 GLN 79 - HG2 ARG 66 far 0 71 0 - 7.2-24.2 HB VAL 41 - HB3 GLN 79 far 0 81 0 - 8.0-25.8 HG LEU 57 - HG2 ARG 66 far 0 95 0 - 8.5-12.3 HB2 MET 31 - HG2 ARG 66 far 0 99 0 - 9.8-12.2 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 12 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 - HG2 ARG 66 far 5 95 5 - 4.7-9.6 HB3 LEU 64 - HG2 ARG 66 far 0 100 0 - 6.2-9.3 HB2 ARG 82 - HB3 GLN 79 far 0 89 0 - 6.2-13.2 HG3 ARG 66 - HB3 GLN 79 far 0 89 0 - 6.2-25.5 HG2 ARG 70 - HB3 GLN 79 far 0 80 0 - 6.8-19.6 HB3 LYS 83 - HB3 GLN 79 far 0 64 0 - 7.4-14.8 HB2 ARG 82 - HG2 ARG 66 far 0 100 0 - 8.7-33.3 HB2 LEU 43 - HG2 ARG 66 far 0 60 0 - 9.3-13.5 HB2 LEU 43 - HB3 GLN 79 far 0 48 0 - 9.5-29.4 HB3 LYS 85 - HB3 GLN 79 far 0 52 0 - 9.8-20.7 HG2 ARG 23 - HB3 GLN 79 far 0 57 0 - 9.9-30.2 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 14 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 2.2-3.0 3.0=100 HD2 ARG 70 - HG2 ARG 66 far 9 89 10 - 5.4-10.2 HD3 ARG 70 - HG2 ARG 66 far 5 92 5 - 5.6-10.7 HD2 ARG 66 - HB3 GLN 79 far 4 89 5 - 3.5-25.9 HD3 ARG 66 - HB3 GLN 79 far 4 89 5 - 4.9-25.5 HD2 ARG 70 - HB3 GLN 79 far 0 74 0 - 5.7-19.9 HD3 ARG 70 - HB3 GLN 79 far 0 77 0 - 6.0-19.6 HD3 ARG 71 - HG2 ARG 66 far 0 97 0 - 7.7-13.2 HD2 ARG 27 - HG2 ARG 66 far 0 83 0 - 8.7-14.7 HD3 ARG 27 - HG2 ARG 66 far 0 83 0 - 8.8-15.2 HD3 ARG 23 - HB3 GLN 79 far 0 59 0 - 9.9-29.2 HD2 ARG 23 - HB3 GLN 79 far 0 59 0 - 10.0-28.7 HD2 ARG 26 - HB3 GLN 79 far 0 77 0 - 10.0-33.3 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 14 assignments used, quality = 1.00: * HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.2-3.0 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 - 5.4-10.2 HD2 ARG 66 - HB3 GLN 79 far 4 89 5 - 3.5-25.9 HD3 ARG 66 - HB3 GLN 79 far 4 89 5 - 4.9-25.5 HD3 ARG 70 - HG2 ARG 66 far 4 89 5 - 5.6-10.7 HD2 ARG 70 - HB3 GLN 79 far 0 70 0 - 5.7-19.9 HD3 ARG 70 - HB3 GLN 79 far 0 74 0 - 6.0-19.6 HD3 ARG 71 - HG2 ARG 66 far 0 95 0 - 7.7-13.2 HD2 ARG 27 - HG2 ARG 66 far 0 87 0 - 8.7-14.7 HD3 ARG 27 - HG2 ARG 66 far 0 87 0 - 8.8-15.2 HD3 ARG 23 - HB3 GLN 79 far 0 64 0 - 9.9-29.2 HD2 ARG 23 - HB3 GLN 79 far 0 64 0 - 10.0-28.7 HD2 ARG 26 - HB3 GLN 79 far 0 80 0 - 10.0-33.3 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 2.5-3.9 4.1=96, 2699/1.8=70...(44) HA GLN 61 - HG3 ARG 66 far 0 96 0 - 7.2-8.9 HA ARG 70 - HG3 ARG 66 far 0 71 0 - 7.5-10.9 HA2 GLY 72 - HG3 ARG 66 far 0 93 0 - 8.9-14.4 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 7 assignments used, quality = 1.00: * HB2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HB ILE 68 - HG3 ARG 66 far 0 81 0 - 6.5-8.3 HB2 ARG 71 - HG3 ARG 66 far 0 76 0 - 7.0-12.2 HB3 ARG 71 - HG3 ARG 66 far 0 78 0 - 8.2-12.7 HG12 ILE 40 - HG3 ARG 66 far 0 60 0 - 8.4-11.7 HB3 ARG 27 - HG3 ARG 66 far 0 78 0 - 8.9-14.0 HB2 ARG 27 - HG3 ARG 66 far 0 76 0 - 10.0-14.1 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 6 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 5 95 5 - 4.8-10.2 HG13 ILE 68 - HG3 ARG 66 far 0 87 0 - 5.6-9.9 HB2 ARG 70 - HG3 ARG 66 far 0 95 0 - 5.8-10.7 HB2 GLN 79 - HG3 ARG 66 far 0 71 0 - 7.4-24.8 HG LEU 57 - HG3 ARG 66 far 0 95 0 - 8.8-12.7 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 5 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 - 5.3-10.6 HB3 GLN 79 - HG3 ARG 66 far 0 90 0 - 6.2-25.5 HD2 ARG 69 - HG3 ARG 66 far 0 83 0 - 6.6-10.3 QE MET 31 - HG3 ARG 66 far 0 81 0 - 7.2-9.4 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 2.3-3.0 3.0=100 HD2 ARG 70 - HG3 ARG 66 far 4 89 5 - 5.5-10.3 HD3 ARG 70 - HG3 ARG 66 far 0 92 0 - 5.7-10.5 HD3 ARG 71 - HG3 ARG 66 far 0 97 0 - 7.1-13.2 HD2 ARG 27 - HG3 ARG 66 far 0 83 0 - 9.4-14.2 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 2.3-3.0 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 4 85 5 - 5.5-10.3 HD3 ARG 70 - HG3 ARG 66 far 0 89 0 - 5.7-10.5 HD3 ARG 71 - HG3 ARG 66 far 0 95 0 - 7.1-13.2 HD2 ARG 27 - HG3 ARG 66 far 0 87 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (3.98, 3.19, 43.48 ppm; 5.25 A): 7 out of 50 assignments used, quality = 1.00: * HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-5.1 5.2=100 HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 3.1-5.5 5.2=100 HA ARG 70 + HD3 ARG 70 OK 60 60 100 100 2.6-5.5 5.3=97, 2844/3.0=64...(24) HA ARG 70 + HD2 ARG 70 OK 57 57 100 100 2.4-5.5 5.3=97, 2844/3.0=64...(24) HA ALA 28 + HD3 ARG 27 OK 22 33 80 83 5.3-7.5 ~73=23, ~72=23...(11) HA ALA 28 + HD2 ARG 27 OK 22 33 80 83 5.3-7.1 ~73=23, ~72=23...(11) HA ARG 66 + HD2 ARG 70 OK 20 89 50 46 4.5-8.6 3924/6.3=18, 3.6/5806=11...(7) HA ARG 66 - HD3 ARG 70 poor 16 92 40 44 4.7-9.1 3924/6.3=18, 2679/3.0=9...(7) HA ARG 70 - HD3 ARG 71 poor 13 33 40 - 4.9-8.2 HA2 GLY 72 - HD3 ARG 71 poor 10 48 20 - 3.3-7.6 HA2 GLY 21 - HD2 ARG 26 poor 9 30 30 - 5.4-11.7 HA VAL 76 - HD3 ARG 70 far 9 88 10 - 5.5-16.1 HA VAL 76 - HD2 ARG 70 far 8 84 10 - 5.1-15.6 HA2 GLY 21 - HD3 ARG 26 poor 8 31 25 - 4.4-11.0 HA3 GLY 21 - HD2 ARG 26 poor 7 29 25 - 5.4-11.6 HA3 GLY 21 - HD3 ARG 26 poor 6 30 20 - 5.2-11.8 HA LYS 32 - HD3 ARG 17 far 3 30 10 - 5.7-28.9 HA VAL 76 - HD3 ARG 71 far 3 53 5 - 6.0-16.4 HA GLN 61 - HD2 ARG 27 far 2 40 5 - 6.3-10.4 HA2 GLY 21 - HD3 ARG 71 far 2 33 5 - 6.5-21.7 HA3 GLY 21 - HD3 ARG 71 far 2 32 5 - 5.0-22.4 HA LYS 32 - HD2 ARG 17 far 1 30 5 - 6.6-29.4 HA3 GLY 21 - HD2 ARG 23 far 1 21 5 - 6.2-11.6 HA3 GLY 21 - HD3 ARG 23 far 1 21 5 - 6.7-11.2 HA2 GLY 21 - HD2 ARG 23 far 0 22 0 - 6.8-12.3 HA ALA 28 - HD3 ARG 26 far 0 39 0 - 7.1-11.1 HA GLN 61 - HD3 ARG 27 far 0 40 0 - 7.2-10.7 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 7.2-11.0 HA2 GLY 21 - HD3 ARG 23 far 0 22 0 - 7.2-12.1 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 7.5-10.6 HA ALA 28 - HD2 ARG 26 far 0 38 0 - 7.6-11.2 HA ALA 28 - HD3 ARG 71 far 0 42 0 - 7.6-16.2 HA ARG 66 - HD3 ARG 71 far 0 56 0 - 7.9-10.9 HA GLN 61 - HD2 ARG 66 far 0 96 0 - 8.3-11.0 HA2 GLY 72 - HD2 ARG 27 far 0 38 0 - 8.3-14.0 HA2 GLY 72 - HD3 ARG 70 far 0 82 0 - 8.5-10.0 HA GLN 61 - HD3 ARG 66 far 0 95 0 - 8.6-10.9 HA ALA 28 - HD3 ARG 17 far 0 21 0 - 8.8-22.4 HA2 GLY 72 - HD2 ARG 70 far 0 78 0 - 8.9-10.2 HA2 GLY 72 - HD3 ARG 23 far 0 32 0 - 9.0-14.9 HA GLU 50 - HD3 ARG 66 far 0 94 0 - 9.1-15.8 HA ARG 66 - HD2 ARG 27 far 0 45 0 - 9.2-13.7 HA2 GLY 72 - HD2 ARG 23 far 0 32 0 - 9.2-15.4 HA LYS 32 - HD3 ARG 27 far 0 45 0 - 9.3-12.6 HA2 GLY 72 - HD3 ARG 27 far 0 38 0 - 9.6-14.6 HA3 GLY 21 - HD2 ARG 27 far 0 24 0 - 9.7-15.2 HA ARG 66 - HD3 ARG 27 far 0 45 0 - 9.7-14.3 HA LYS 32 - HD2 ARG 27 far 0 45 0 - 9.7-12.6 HA ALA 28 - HD2 ARG 23 far 0 28 0 - 9.9-14.6 HA ALA 28 - HD3 ARG 23 far 0 28 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 12 out of 89 assignments used, quality = 1.00: * HB2 ARG 66 + HD2 ARG 66 OK 91 100 100 91 2.0-4.0 3.4=62, ~2701=15...(18) HB2 ARG 66 + HD3 ARG 66 OK 91 100 100 91 2.1-3.8 3.4=62, ~2701=15...(18) HB2 ARG 26 + HD3 ARG 26 OK 49 52 100 93 2.2-4.2 3.5=61, 3.9/532=9...(54) HB3 ARG 26 + HD3 ARG 26 OK 48 52 100 93 2.0-3.7 3.5=61, 3.9/532=9...(54) HB2 ARG 26 + HD2 ARG 26 OK 47 51 100 93 2.7-3.8 3.5=61, 3.9/532=9...(54) HB3 ARG 26 + HD2 ARG 26 OK 47 51 100 93 2.1-4.2 3.5=61, 3.9/532=9...(54) HB3 ARG 71 + HD3 ARG 71 OK 35 37 100 92 2.1-4.1 3.5=58, ~2937=18...(42) HB2 ARG 71 + HD3 ARG 71 OK 33 36 100 92 2.5-3.9 3.5=58, ~2937=18...(42) HB3 ARG 27 + HD2 ARG 27 OK 27 29 100 94 2.1-4.2 3.5=57, 3.0/1420=7...(57) HB3 ARG 27 + HD3 ARG 27 OK 27 29 100 94 2.0-3.8 3.5=57, 3.0/1420=7...(57) HB2 ARG 27 + HD2 ARG 27 OK 26 28 100 94 2.3-4.0 3.5=57, 3.0/1420=7...(57) HB2 ARG 27 + HD3 ARG 27 OK 26 28 100 94 2.2-4.2 3.5=57, 3.0/1420=7...(57) HB2 ARG 66 - HD3 ARG 70 poor 18 92 20 - 3.4-9.7 HB2 ARG 66 - HD2 ARG 70 far 4 89 5 - 2.8-9.7 HB3 ARG 71 - HD2 ARG 70 far 3 63 5 - 4.2-9.2 HB3 ARG 23 - HD3 ARG 26 far 3 27 10 - 3.9-8.8 HB3 PRO 14 - HD3 ARG 26 far 2 48 5 - 4.4-27.6 HB2 ARG 26 - HD3 ARG 27 far 2 44 5 - 4.3-8.1 HB2 ARG 26 - HD2 ARG 23 far 2 38 5 - 4.3-9.9 HB2 ARG 27 - HD3 ARG 71 far 2 36 5 - 4.0-14.1 HB2 ARG 27 - HD3 ARG 26 far 2 34 5 - 4.1-8.9 HB2 ARG 27 - HD2 ARG 26 far 2 33 5 - 3.5-8.5 HB2 ARG 23 - HD3 ARG 71 far 1 27 5 - 4.1-15.4 HB2 ARG 26 - HD3 ARG 23 far 0 38 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 34 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 25 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 26 0 - 4.7-9.2 HB ILE 68 - HD2 ARG 27 far 0 30 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 44 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 25 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 24 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 35 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 22 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 38 0 - 5.2-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 66 0 - 5.2-9.5 HB3 ARG 23 - HD3 ARG 71 far 0 29 0 - 5.3-15.5 HB2 ARG 26 - HD2 ARG 27 far 0 44 0 - 5.3-8.0 HB2 ARG 71 - HD3 ARG 70 far 0 64 0 - 5.3-8.7 HB2 ARG 71 - HD2 ARG 70 far 0 61 0 - 5.3-8.3 HB ILE 68 - HD3 ARG 27 far 0 30 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 24 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 25 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 21 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 22 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 28 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 38 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 21 0 - 5.7-11.1 HB ILE 68 - HD3 ARG 71 far 0 39 0 - 5.8-10.3 HB3 ARG 26 - HD2 ARG 27 far 0 44 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 47 0 - 6.0-26.9 HB3 PRO 14 - HD2 ARG 70 far 0 82 0 - 6.0-36.9 HB3 ARG 71 - HD2 ARG 27 far 0 29 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 25 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 28 0 - 6.5-12.1 HB3 PRO 14 - HD3 ARG 70 far 0 86 0 - 7.1-37.2 HB3 ARG 71 - HD3 ARG 23 far 0 25 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 29 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 81 0 - 7.3-9.7 HB3 PRO 14 - HD3 ARG 27 far 0 40 0 - 7.4-30.0 HB3 PRO 34 - HD3 ARG 17 far 0 30 0 - 7.5-29.6 HB ILE 68 - HD2 ARG 70 far 0 65 0 - 7.5-11.2 HB2 ARG 66 - HD3 ARG 71 far 0 56 0 - 7.6-12.3 HB ILE 68 - HD3 ARG 70 far 0 69 0 - 7.6-10.5 HB3 PRO 14 - HD3 ARG 71 far 0 51 0 - 7.7-37.2 HB2 ARG 26 - HD3 ARG 71 far 0 56 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 25 0 - 7.9-14.1 HB ILE 68 - HD3 ARG 66 far 0 80 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 30 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 27 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 24 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 27 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 76 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 40 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 48 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 60 0 - 8.8-13.2 HG12 ILE 40 - HD2 ARG 27 far 0 21 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 24 0 - 9.0-14.2 HB3 ARG 26 - HD2 ARG 17 far 0 29 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 55 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 29 0 - 9.4-23.1 HG12 ILE 40 - HD3 ARG 71 far 0 27 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 78 0 - 9.6-14.1 HB2 ARG 27 - HD3 ARG 70 far 0 64 0 - 9.7-16.6 HB2 MET 11 - HD3 ARG 26 far 0 50 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 39 0 - 9.8-55.8 HB3 ARG 27 - HD3 ARG 70 far 0 66 0 - 9.9-15.7 HG12 ILE 40 - HD2 ARG 66 far 0 60 0 - 10.0-12.6 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 2.4-4.0 3.4=96, 2701/3.0=43...(42) HB3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.0-4.2 3.4=96, 2701/3.0=43...(40) HB2 ARG 70 + HD3 ARG 70 OK 82 83 100 98 2.3-4.2 3.5=92, ~2844=18...(19) HB3 ARG 70 + HD3 ARG 70 OK 82 83 100 98 2.2-3.8 3.5=92, ~2844=18...(18) HB2 ARG 70 + HD2 ARG 70 OK 78 80 100 98 2.3-3.8 3.5=92, ~2844=18...(19) HB3 ARG 70 + HD2 ARG 70 OK 78 80 100 98 2.2-3.8 3.5=92, ~2844=18...(18) HB3 ARG 66 - HD3 ARG 70 far 14 92 15 - 3.6-9.6 HB3 ARG 70 - HD3 ARG 71 poor 10 49 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 9 89 10 - 3.9-8.7 HB2 ARG 70 - HD3 ARG 71 far 7 49 15 - 2.4-8.7 HG13 ILE 68 - HD2 ARG 27 far 5 34 15 - 2.9-8.2 HG13 ILE 68 - HD3 ARG 27 far 3 34 10 - 3.2-9.6 HG13 ILE 68 - HD3 ARG 71 far 2 43 5 - 4.6-11.1 HB2 GLN 79 - HD2 ARG 66 far 0 71 0 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 60 0 - 5.0-19.6 HB2 MET 31 - HD3 ARG 27 far 0 43 0 - 5.1-8.0 HB2 GLN 79 - HD2 ARG 70 far 0 57 0 - 5.2-19.6 HB2 MET 31 - HD2 ARG 27 far 0 43 0 - 5.2-8.5 HB2 ARG 70 - HD3 ARG 66 far 0 94 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 95 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 95 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 94 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 71 0 - 6.1-24.9 HG13 ILE 68 - HD2 ARG 70 far 0 71 0 - 7.4-11.6 HG13 ILE 68 - HD3 ARG 70 far 0 75 0 - 7.6-10.8 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 7.8-11.0 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 7.9-11.7 HB3 ARG 66 - HD3 ARG 71 far 0 56 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 50 0 - 8.1-14.2 HB2 MET 31 - HD3 ARG 26 far 0 52 0 - 8.9-12.9 HG13 ILE 68 - HD2 ARG 23 far 0 29 0 - 8.9-14.9 HG LEU 57 - HD2 ARG 66 far 0 95 0 - 8.9-12.6 HB3 ARG 66 - HD3 ARG 27 far 0 45 0 - 8.9-13.8 HG13 ILE 68 - HD3 ARG 23 far 0 29 0 - 9.0-14.3 HB2 GLN 79 - HD2 ARG 26 far 0 30 0 - 9.0-34.2 HB3 ARG 66 - HD2 ARG 27 far 0 45 0 - 9.3-13.0 HG LEU 57 - HD3 ARG 66 far 0 94 0 - 9.4-13.2 HG13 ILE 68 - HD2 ARG 26 far 0 39 0 - 9.5-14.3 HB2 MET 31 - HD3 ARG 71 far 0 55 0 - 9.7-17.7 HB2 MET 31 - HD2 ARG 26 far 0 50 0 - 9.7-13.5 HB3 ARG 70 - HD2 ARG 27 far 0 39 0 - 9.7-15.3 HB2 ARG 70 - HD2 ARG 27 far 0 39 0 - 9.8-16.4 HB2 ARG 70 - HD3 ARG 27 far 0 39 0 - 9.9-17.4 HB2 GLN 79 - HD3 ARG 71 far 0 33 0 - 10.0-22.2 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 52 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 2.2-3.0 3.0=100 HD2 ARG 69 - HD3 ARG 66 far 8 83 10 - 4.6-10.4 QE MET 31 - HD3 ARG 27 poor 8 30 25 - 3.7-7.6 QE MET 31 - HD2 ARG 27 poor 8 30 25 - 4.1-8.8 HB3 GLN 79 - HD2 ARG 66 far 5 90 5 - 3.5-25.9 HB3 GLN 79 - HD3 ARG 66 far 5 90 5 - 4.9-25.5 HD3 ARG 69 - HD3 ARG 66 far 4 83 5 - 5.1-12.1 HG2 PRO 14 - HD3 ARG 26 far 3 30 10 - 2.6-26.6 HG3 PRO 14 - HD3 ARG 26 far 1 30 5 - 2.5-28.0 HG3 PRO 14 - HD2 ARG 26 far 1 29 5 - 3.9-28.8 HG2 PRO 14 - HD2 ARG 26 far 1 29 5 - 4.2-27.2 HB3 GLU 19 - HD3 ARG 26 far 1 27 5 - 4.4-15.7 HG2 ARG 66 - HD2 ARG 70 far 0 89 0 - 5.4-10.2 HD2 ARG 69 - HD2 ARG 70 far 0 67 0 - 5.4-10.8 HD2 ARG 69 - HD3 ARG 70 far 0 71 0 - 5.5-10.8 HG2 ARG 66 - HD3 ARG 70 far 0 92 0 - 5.6-10.7 HG3 PRO 14 - HD2 ARG 70 far 0 54 0 - 5.7-38.4 HB3 GLN 79 - HD2 ARG 70 far 0 75 0 - 5.7-19.9 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.9-9.5 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.9-11.2 HB3 GLU 19 - HD2 ARG 26 far 0 26 0 - 6.0-15.6 HG2 PRO 14 - HD2 ARG 70 far 0 54 0 - 6.0-37.2 HB3 GLN 79 - HD3 ARG 70 far 0 78 0 - 6.0-19.6 HD3 ARG 69 - HD3 ARG 70 far 0 71 0 - 6.2-10.4 HD3 ARG 69 - HD2 ARG 70 far 0 67 0 - 6.3-9.9 HG2 PRO 14 - HD3 ARG 70 far 0 57 0 - 6.4-36.7 HG3 PRO 14 - HD3 ARG 70 far 0 57 0 - 6.4-37.9 QE MET 31 - HD3 ARG 26 far 0 36 0 - 6.9-12.7 HG3 PRO 14 - HD3 ARG 27 far 0 24 0 - 7.2-30.5 HG2 ARG 66 - HD3 ARG 71 far 0 56 0 - 7.7-13.2 HD2 ARG 69 - HD3 ARG 71 far 0 40 0 - 7.9-12.9 QE MET 31 - HD3 ARG 66 far 0 80 0 - 8.1-11.4 HG2 PRO 14 - HD3 ARG 71 far 0 32 0 - 8.2-36.6 QE MET 31 - HD2 ARG 66 far 0 81 0 - 8.2-11.8 QE MET 31 - HD2 ARG 26 far 0 36 0 - 8.3-13.1 QE MET 31 - HD3 ARG 71 far 0 39 0 - 8.4-13.3 HG2 PRO 14 - HD3 ARG 27 far 0 24 0 - 8.4-28.9 HG3 PRO 14 - HD3 ARG 71 far 0 32 0 - 8.5-37.1 HG2 ARG 66 - HD2 ARG 27 far 0 45 0 - 8.7-14.7 HG3 PRO 14 - HD2 ARG 27 far 0 24 0 - 8.8-29.1 HG2 ARG 66 - HD3 ARG 27 far 0 45 0 - 8.8-15.2 HB3 GLU 19 - HD3 ARG 71 far 0 29 0 - 9.0-25.1 HB3 MET 11 - HD2 ARG 26 far 0 51 0 - 9.1-34.2 HD3 ARG 69 - HD3 ARG 71 far 0 40 0 - 9.1-13.0 QE MET 31 - HD2 ARG 23 far 0 26 0 - 9.4-15.0 HB3 MET 11 - HD3 ARG 26 far 0 52 0 - 9.7-34.6 QE MET 31 - HD3 ARG 70 far 0 69 0 - 9.8-15.5 HB3 GLN 79 - HD3 ARG 23 far 0 31 0 - 9.9-29.2 QE MET 31 - HD2 ARG 70 far 0 65 0 - 9.9-14.4 HB3 GLN 79 - HD2 ARG 23 far 0 31 0 - 10.0-28.7 HB3 GLN 79 - HD2 ARG 26 far 0 42 0 - 10.0-33.3 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 65 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 2.3-3.0 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 83 83 100 100 2.2-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 22 22 100 100 2.2-3.0 2.9=100 HG2 ARG 23 + HD3 ARG 23 OK 22 22 100 100 2.2-3.0 2.9=100 HB3 LEU 64 - HD3 ARG 27 poor 18 45 40 - 3.2-7.4 HG2 ARG 70 - HD3 ARG 71 poor 15 49 30 - 2.4-8.4 HB3 LEU 64 - HD2 ARG 27 poor 9 45 50 42 3.0-6.6 3.1/5019=16, ~5019=11...(9) HG2 ARG 23 - HD3 ARG 26 poor 6 31 20 - 4.0-9.1 HG LEU 29 - HD2 ARG 26 far 4 36 10 - 4.0-7.2 HG2 ARG 23 - HD3 ARG 27 far 3 26 10 - 3.3-10.7 HB2 LEU 29 - HD2 ARG 26 far 2 36 5 - 4.1-9.9 HG2 ARG 23 - HD2 ARG 26 far 2 30 5 - 4.5-9.7 HB2 LEU 29 - HD3 ARG 26 far 0 36 0 - 4.7-9.0 HG2 ARG 23 - HD2 ARG 27 far 0 26 0 - 4.8-11.7 HG LEU 29 - HD3 ARG 26 far 0 36 0 - 4.8-7.4 HG2 ARG 70 - HD2 ARG 66 far 0 95 0 - 4.8-10.8 HG3 ARG 66 - HD2 ARG 70 far 0 89 0 - 5.5-10.3 HG3 ARG 66 - HD3 ARG 70 far 0 92 0 - 5.7-10.5 HG2 ARG 70 - HD3 ARG 66 far 0 94 0 - 6.0-10.5 HB2 ARG 82 - HD3 ARG 66 far 0 100 0 - 6.1-33.8 HG2 ARG 23 - HD3 ARG 71 far 0 33 0 - 6.2-17.6 HB2 LEU 29 - HD3 ARG 27 far 0 30 0 - 6.3-11.6 HG LEU 29 - HD3 ARG 27 far 0 30 0 - 6.6-9.9 HB3 LYS 83 - HD3 ARG 70 far 0 66 0 - 6.6-29.9 HB2 ARG 82 - HD2 ARG 70 far 0 89 0 - 6.6-29.3 HB3 LYS 85 - HD3 ARG 70 far 0 55 0 - 6.7-32.5 HB3 LYS 83 - HD2 ARG 70 far 0 63 0 - 6.8-29.8 HB3 LYS 85 - HD2 ARG 70 far 0 52 0 - 6.9-32.1 HB2 ARG 82 - HD3 ARG 70 far 0 92 0 - 6.9-29.3 HB2 LEU 29 - HD2 ARG 27 far 0 30 0 - 6.9-11.0 HB3 LYS 13 - HD3 ARG 26 far 0 45 0 - 7.0-29.1 HG3 ARG 66 - HD3 ARG 71 far 0 56 0 - 7.1-13.2 HB3 LEU 64 - HD3 ARG 71 far 0 56 0 - 7.3-12.5 HG LEU 29 - HD2 ARG 27 far 0 30 0 - 7.3-9.2 HB2 ARG 82 - HD2 ARG 26 far 0 52 0 - 7.4-40.2 HB3 LEU 64 - HD2 ARG 26 far 0 52 0 - 7.5-14.4 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 7.5-10.9 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 100 0 - 7.7-33.0 HB3 LYS 13 - HD2 ARG 26 far 0 44 0 - 7.7-28.6 HB3 LEU 64 - HD3 ARG 26 far 0 53 0 - 7.9-14.3 HB3 LYS 85 - HD3 ARG 71 far 0 30 0 - 8.0-35.7 HG2 ARG 70 - HD2 ARG 27 far 0 39 0 - 8.1-15.0 HB3 LEU 64 - HD2 ARG 23 far 0 38 0 - 8.1-15.6 HB3 LYS 83 - HD3 ARG 71 far 0 37 0 - 8.4-32.5 HG LEU 29 - HD2 ARG 23 far 0 26 0 - 8.4-12.7 HB3 LEU 64 - HD3 ARG 70 far 0 92 0 - 8.8-13.6 HB3 LYS 13 - HD2 ARG 17 far 0 25 0 - 8.9-15.7 HB3 LEU 64 - HD3 ARG 23 far 0 38 0 - 9.0-15.3 HB3 LYS 85 - HD3 ARG 27 far 0 23 0 - 9.0-38.4 HG LEU 29 - HD3 ARG 23 far 0 26 0 - 9.0-13.0 HB2 ARG 82 - HD3 ARG 26 far 0 53 0 - 9.1-40.0 HG2 ARG 70 - HD3 ARG 27 far 0 39 0 - 9.1-16.2 HB2 LEU 29 - HD2 ARG 23 far 0 26 0 - 9.1-15.3 HG3 ARG 66 - HD2 ARG 27 far 0 45 0 - 9.4-14.2 HB3 LYS 83 - HD2 ARG 66 far 0 78 0 - 9.4-36.3 HB3 LEU 64 - HD2 ARG 70 far 0 88 0 - 9.5-14.2 HB3 LYS 85 - HD2 ARG 26 far 0 27 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 26 0 - 9.5-15.3 HB3 LYS 85 - HD2 ARG 27 far 0 23 0 - 9.7-37.2 HB3 LYS 13 - HD3 ARG 17 far 0 25 0 - 9.7-16.3 HG LEU 29 - HD3 ARG 71 far 0 39 0 - 9.9-19.7 HB2 ARG 82 - HD3 ARG 71 far 0 56 0 - 9.9-32.2 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): 6 out of 50 assignments used, quality = 1.00: * HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 3.1-5.5 5.2=100 HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-5.1 5.2=100 HA ARG 70 + HD3 ARG 70 OK 57 57 100 100 2.6-5.5 5.3=97, 2844/3.0=64...(24) HA ARG 70 + HD2 ARG 70 OK 53 53 100 100 2.4-5.5 5.3=97, 2844/3.0=64...(24) HA ALA 28 + HD3 ARG 27 OK 23 35 80 83 5.3-7.5 ~73=23, ~72=23...(11) HA ALA 28 + HD2 ARG 27 OK 23 35 80 83 5.3-7.1 ~73=23, ~72=23...(11) HA ARG 66 - HD2 ARG 70 poor 19 85 50 46 4.5-8.6 3924/6.3=18, 3.6/5806=11...(7) HA ARG 66 - HD3 ARG 70 poor 16 89 40 44 4.7-9.1 3924/6.3=18, 2679/3.0=9...(7) HA ARG 70 - HD3 ARG 71 poor 13 32 40 - 4.9-8.2 HA2 GLY 21 - HD2 ARG 26 poor 10 32 30 - 5.4-11.7 HA2 GLY 72 - HD3 ARG 71 poor 9 46 20 - 3.3-7.6 HA VAL 76 - HD3 ARG 70 far 8 84 10 - 5.5-16.1 HA2 GLY 21 - HD3 ARG 26 poor 8 32 25 - 4.4-11.0 HA VAL 76 - HD2 ARG 70 far 8 81 10 - 5.1-15.6 HA3 GLY 21 - HD2 ARG 26 poor 8 30 25 - 5.4-11.6 HA3 GLY 21 - HD3 ARG 26 poor 6 31 20 - 5.2-11.8 HA LYS 32 - HD3 ARG 17 far 3 33 10 - 5.7-28.9 HA VAL 76 - HD3 ARG 71 far 3 51 5 - 6.0-16.4 HA GLN 61 - HD2 ARG 27 far 2 42 5 - 6.3-10.4 HA LYS 32 - HD2 ARG 17 far 2 33 5 - 6.6-29.4 HA2 GLY 21 - HD3 ARG 71 far 2 32 5 - 6.5-21.7 HA3 GLY 21 - HD3 ARG 71 far 2 30 5 - 5.0-22.4 HA3 GLY 21 - HD2 ARG 23 far 1 23 5 - 6.2-11.6 HA3 GLY 21 - HD3 ARG 23 far 1 23 5 - 6.7-11.2 HA2 GLY 21 - HD2 ARG 23 far 0 24 0 - 6.8-12.3 HA ALA 28 - HD3 ARG 26 far 0 41 0 - 7.1-11.1 HA GLN 61 - HD3 ARG 27 far 0 42 0 - 7.2-10.7 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 7.2-11.0 HA2 GLY 21 - HD3 ARG 23 far 0 24 0 - 7.2-12.1 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 7.5-10.6 HA ALA 28 - HD2 ARG 26 far 0 40 0 - 7.6-11.2 HA ALA 28 - HD3 ARG 71 far 0 40 0 - 7.6-16.2 HA ARG 66 - HD3 ARG 71 far 0 54 0 - 7.9-10.9 HA GLN 61 - HD2 ARG 66 far 0 95 0 - 8.3-11.0 HA2 GLY 72 - HD2 ARG 27 far 0 40 0 - 8.3-14.0 HA2 GLY 72 - HD3 ARG 70 far 0 78 0 - 8.5-10.0 HA GLN 61 - HD3 ARG 66 far 0 96 0 - 8.6-10.9 HA ALA 28 - HD3 ARG 17 far 0 24 0 - 8.8-22.4 HA2 GLY 72 - HD2 ARG 70 far 0 74 0 - 8.9-10.2 HA2 GLY 72 - HD3 ARG 23 far 0 35 0 - 9.0-14.9 HA GLU 50 - HD3 ARG 66 far 0 95 0 - 9.1-15.8 HA ARG 66 - HD2 ARG 27 far 0 48 0 - 9.2-13.7 HA2 GLY 72 - HD2 ARG 23 far 0 35 0 - 9.2-15.4 HA LYS 32 - HD3 ARG 27 far 0 48 0 - 9.3-12.6 HA2 GLY 72 - HD3 ARG 27 far 0 40 0 - 9.6-14.6 HA3 GLY 21 - HD2 ARG 27 far 0 26 0 - 9.7-15.2 HA ARG 66 - HD3 ARG 27 far 0 48 0 - 9.7-14.3 HA LYS 32 - HD2 ARG 27 far 0 48 0 - 9.7-12.6 HA ALA 28 - HD2 ARG 23 far 0 30 0 - 9.9-14.6 HA ALA 28 - HD3 ARG 23 far 0 30 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 12 out of 94 assignments used, quality = 1.00: * HB2 ARG 66 + HD3 ARG 66 OK 91 100 100 91 2.1-3.8 3.4=62, ~2701=15...(18) HB2 ARG 66 + HD2 ARG 66 OK 91 100 100 91 2.0-4.0 3.4=62, ~2701=15...(18) HB2 ARG 26 + HD3 ARG 26 OK 51 55 100 93 2.2-4.2 3.5=61, 3.9/532=9...(54) HB3 ARG 26 + HD3 ARG 26 OK 50 54 100 93 2.0-3.7 3.5=61, 3.9/532=9...(54) HB2 ARG 26 + HD2 ARG 26 OK 50 54 100 93 2.7-3.8 3.5=61, 3.9/532=9...(54) HB3 ARG 26 + HD2 ARG 26 OK 49 53 100 93 2.1-4.2 3.5=61, 3.9/532=9...(54) HB3 ARG 71 + HD3 ARG 71 OK 33 36 100 92 2.1-4.1 3.5=58, ~2937=18...(42) HB2 ARG 71 + HD3 ARG 71 OK 32 35 100 92 2.5-3.9 3.5=58, ~2937=18...(42) HB3 ARG 27 + HD2 ARG 27 OK 29 31 100 94 2.1-4.2 3.5=57, 3.0/1420=7...(57) HB3 ARG 27 + HD3 ARG 27 OK 29 31 100 94 2.0-3.8 3.5=57, 3.0/1421=7...(57) HB2 ARG 27 + HD2 ARG 27 OK 28 30 100 94 2.3-4.0 3.5=57, 3.0/1421=7...(57) HB2 ARG 27 + HD3 ARG 27 OK 28 30 100 94 2.2-4.2 3.5=57, 3.0/1420=7...(57) HB3 ARG 23 - HD2 ARG 23 poor 19 20 100 93 2.1-3.9 3.5=58, 1280/2.9=13...(33) HB3 ARG 23 - HD3 ARG 23 poor 19 20 100 93 2.2-3.6 3.5=58, 1280/2.9=13...(33) HB2 ARG 66 - HD3 ARG 70 poor 18 89 20 - 3.4-9.7 HB2 ARG 66 - HD2 ARG 70 far 4 85 5 - 2.8-9.7 HB3 ARG 71 - HD2 ARG 70 far 3 60 5 - 4.2-9.2 HB3 ARG 23 - HD3 ARG 26 far 3 28 10 - 3.9-8.8 HB3 PRO 14 - HD3 ARG 26 far 3 50 5 - 4.4-27.6 HB2 ARG 26 - HD3 ARG 27 far 2 47 5 - 4.3-8.1 HB2 ARG 26 - HD2 ARG 23 far 2 41 5 - 4.3-9.9 HB2 ARG 27 - HD3 ARG 26 far 2 35 5 - 4.1-8.9 HB2 ARG 27 - HD2 ARG 26 far 2 35 5 - 3.5-8.5 HB2 ARG 27 - HD3 ARG 71 far 2 35 5 - 4.0-14.1 HB2 ARG 23 - HD3 ARG 71 far 1 26 5 - 4.1-15.4 HB2 ARG 26 - HD3 ARG 23 far 0 41 0 - 4.5-10.1 HB3 ARG 27 - HD3 ARG 71 far 0 36 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 36 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 27 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 27 0 - 4.7-9.2 HB ILE 68 - HD2 ARG 27 far 0 33 0 - 4.8-10.6 HB3 ARG 26 - HD3 ARG 27 far 0 47 0 - 4.8-8.7 HB2 ARG 23 - HD2 ARG 26 far 0 26 0 - 4.9-9.2 HB2 ARG 27 - HD2 ARG 23 far 0 26 0 - 4.9-10.8 HB3 ARG 27 - HD3 ARG 26 far 0 37 0 - 4.9-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 24 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 41 0 - 5.2-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 63 0 - 5.2-9.5 HB3 ARG 23 - HD3 ARG 71 far 0 27 0 - 5.3-15.5 HB2 ARG 26 - HD2 ARG 27 far 0 47 0 - 5.3-8.0 HB2 ARG 71 - HD3 ARG 70 far 0 61 0 - 5.3-8.7 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.3-8.3 HB ILE 68 - HD3 ARG 27 far 0 33 0 - 5.4-11.8 HB2 ARG 27 - HD3 ARG 23 far 0 26 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 27 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 23 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 24 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 30 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 41 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 23 0 - 5.7-11.1 HB ILE 68 - HD3 ARG 71 far 0 37 0 - 5.8-10.3 HB3 ARG 26 - HD2 ARG 27 far 0 47 0 - 5.9-8.5 HB3 PRO 14 - HD2 ARG 26 far 0 49 0 - 6.0-26.9 HB3 PRO 14 - HD2 ARG 70 far 0 78 0 - 6.0-36.9 HB3 ARG 71 - HD2 ARG 27 far 0 31 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 27 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 30 0 - 6.5-12.1 HB3 PRO 14 - HD3 ARG 70 far 0 82 0 - 7.1-37.2 HB3 ARG 71 - HD3 ARG 23 far 0 27 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 31 0 - 7.2-12.9 HB ILE 68 - HD2 ARG 66 far 0 80 0 - 7.3-9.7 HB3 PRO 14 - HD3 ARG 27 far 0 43 0 - 7.4-30.0 HB3 PRO 34 - HD3 ARG 17 far 0 33 0 - 7.5-29.6 HB ILE 68 - HD2 ARG 70 far 0 62 0 - 7.5-11.2 HB2 ARG 66 - HD3 ARG 71 far 0 54 0 - 7.6-12.3 HB ILE 68 - HD3 ARG 70 far 0 65 0 - 7.6-10.5 HB3 PRO 14 - HD3 ARG 71 far 0 49 0 - 7.7-37.2 HB2 ARG 26 - HD3 ARG 71 far 0 54 0 - 7.9-17.9 HB3 ARG 71 - HD2 ARG 23 far 0 27 0 - 7.9-14.1 HB ILE 68 - HD3 ARG 66 far 0 81 0 - 8.0-9.8 HB3 PRO 34 - HD2 ARG 17 far 0 33 0 - 8.1-30.5 HB3 PRO 14 - HD3 ARG 17 far 0 30 0 - 8.3-14.9 HB2 ARG 71 - HD3 ARG 23 far 0 26 0 - 8.4-13.9 HB3 PRO 14 - HD2 ARG 17 far 0 30 0 - 8.4-14.7 HB2 ARG 71 - HD3 ARG 66 far 0 76 0 - 8.6-12.8 HB3 PRO 14 - HD2 ARG 27 far 0 43 0 - 8.7-28.5 HB2 MET 11 - HD2 ARG 26 far 0 51 0 - 8.8-35.8 HG12 ILE 40 - HD3 ARG 66 far 0 60 0 - 8.8-13.2 HG12 ILE 40 - HD2 ARG 27 far 0 23 0 - 8.9-14.7 HB2 ARG 71 - HD2 ARG 23 far 0 26 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 22 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 17 far 0 32 0 - 9.2-23.0 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 9.3-13.8 HB3 ARG 26 - HD3 ARG 71 far 0 53 0 - 9.3-19.4 HB3 ARG 26 - HD3 ARG 17 far 0 32 0 - 9.4-23.1 HG12 ILE 40 - HD3 ARG 71 far 0 26 0 - 9.6-15.2 HB3 ARG 71 - HD3 ARG 66 far 0 78 0 - 9.6-14.1 HB2 ARG 27 - HD3 ARG 70 far 0 61 0 - 9.7-16.6 HB2 MET 11 - HD3 ARG 26 far 0 52 0 - 9.8-36.2 HB2 GLN 91 - HD3 ARG 71 far 0 37 0 - 9.8-55.8 HB2 LYS 39 - HD3 ARG 17 far 0 22 0 - 9.8-29.5 HB3 ARG 27 - HD3 ARG 70 far 0 63 0 - 9.9-15.7 HB3 ARG 71 - HD3 ARG 17 far 0 21 0 - 9.9-27.3 HG12 ILE 40 - HD2 ARG 66 far 0 60 0 - 10.0-12.6 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 2.0-4.2 3.4=96, 2701/3.0=43...(40) HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-4.0 3.4=96, 2701/3.0=43...(42) HB2 ARG 70 + HD3 ARG 70 OK 78 80 100 98 2.3-4.2 3.5=92, ~2844=18...(19) HB3 ARG 70 + HD3 ARG 70 OK 78 80 100 98 2.2-3.8 3.5=92, ~2844=18...(18) HB2 ARG 70 + HD2 ARG 70 OK 74 76 100 98 2.3-3.8 3.5=92, ~2844=18...(19) HB3 ARG 70 + HD2 ARG 70 OK 74 76 100 98 2.2-3.8 3.5=92, ~2844=18...(18) HB3 ARG 66 - HD3 ARG 70 far 13 89 15 - 3.6-9.6 HB3 ARG 70 - HD3 ARG 71 poor 9 47 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 8 85 10 - 3.9-8.7 HB2 ARG 70 - HD3 ARG 71 far 7 47 15 - 2.4-8.7 HG13 ILE 68 - HD2 ARG 27 far 5 36 15 - 2.9-8.2 HG13 ILE 68 - HD3 ARG 27 far 4 36 10 - 3.2-9.6 HG13 ILE 68 - HD3 ARG 71 far 2 41 5 - 4.6-11.1 HB2 GLN 79 - HD2 ARG 66 far 0 71 0 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 57 0 - 5.0-19.6 HB2 MET 31 - HD3 ARG 27 far 0 46 0 - 5.1-8.0 HB2 GLN 79 - HD2 ARG 70 far 0 53 0 - 5.2-19.6 HB2 MET 31 - HD2 ARG 27 far 0 46 0 - 5.2-8.5 HB2 ARG 70 - HD3 ARG 66 far 0 95 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 94 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 94 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 95 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 71 0 - 6.1-24.9 HG13 ILE 68 - HD2 ARG 70 far 0 68 0 - 7.4-11.6 HG13 ILE 68 - HD3 ARG 70 far 0 71 0 - 7.6-10.8 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 7.8-11.0 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 7.9-11.7 HB3 ARG 66 - HD3 ARG 71 far 0 54 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 48 0 - 8.1-14.2 HB2 MET 31 - HD3 ARG 26 far 0 54 0 - 8.9-12.9 HG13 ILE 68 - HD2 ARG 23 far 0 31 0 - 8.9-14.9 HG LEU 57 - HD2 ARG 66 far 0 94 0 - 8.9-12.6 HB3 ARG 66 - HD3 ARG 27 far 0 48 0 - 8.9-13.8 HG13 ILE 68 - HD3 ARG 23 far 0 31 0 - 9.0-14.3 HB2 GLN 79 - HD2 ARG 26 far 0 32 0 - 9.0-34.2 HB3 ARG 66 - HD2 ARG 27 far 0 48 0 - 9.3-13.0 HG LEU 57 - HD3 ARG 66 far 0 95 0 - 9.4-13.2 HG13 ILE 68 - HD2 ARG 26 far 0 41 0 - 9.5-14.3 HB2 MET 31 - HD3 ARG 71 far 0 53 0 - 9.7-17.7 HB2 MET 31 - HD2 ARG 26 far 0 53 0 - 9.7-13.5 HB3 ARG 70 - HD2 ARG 27 far 0 41 0 - 9.7-15.3 HB2 ARG 70 - HD2 ARG 27 far 0 41 0 - 9.8-16.4 HB2 ARG 70 - HD3 ARG 27 far 0 41 0 - 9.9-17.4 HB2 GLN 79 - HD3 ARG 71 far 0 32 0 - 10.0-22.2 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 54 assignments used, quality = 1.00: * HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 69 - HD3 ARG 66 far 8 83 10 - 4.6-10.4 QE MET 31 - HD3 ARG 27 poor 8 33 25 - 3.7-7.6 QE MET 31 - HD2 ARG 27 poor 8 33 25 - 4.1-8.8 HB3 GLN 79 - HD2 ARG 66 far 5 90 5 - 3.5-25.9 HB3 GLN 79 - HD3 ARG 66 far 5 90 5 - 4.9-25.5 HD3 ARG 69 - HD3 ARG 66 far 4 83 5 - 5.1-12.1 HG2 PRO 14 - HD3 ARG 26 far 3 31 10 - 2.6-26.6 HG3 PRO 14 - HD3 ARG 26 far 2 31 5 - 2.5-28.0 HG3 PRO 14 - HD2 ARG 26 far 2 30 5 - 3.9-28.8 HG2 PRO 14 - HD2 ARG 26 far 2 30 5 - 4.2-27.2 HB3 GLU 19 - HD3 ARG 26 far 1 28 5 - 4.4-15.7 HG2 ARG 66 - HD2 ARG 70 far 0 85 0 - 5.4-10.2 HD2 ARG 69 - HD2 ARG 70 far 0 64 0 - 5.4-10.8 HD2 ARG 69 - HD3 ARG 70 far 0 67 0 - 5.5-10.8 HG2 ARG 66 - HD3 ARG 70 far 0 89 0 - 5.6-10.7 HG3 PRO 14 - HD2 ARG 70 far 0 51 0 - 5.7-38.4 HB3 GLN 79 - HD2 ARG 70 far 0 71 0 - 5.7-19.9 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.9-9.5 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 5.9-11.2 HB3 GLU 19 - HD2 ARG 26 far 0 27 0 - 6.0-15.6 HG2 PRO 14 - HD2 ARG 70 far 0 51 0 - 6.0-37.2 HB3 GLN 79 - HD3 ARG 70 far 0 75 0 - 6.0-19.6 HD3 ARG 69 - HD3 ARG 70 far 0 67 0 - 6.2-10.4 HD3 ARG 69 - HD2 ARG 70 far 0 64 0 - 6.3-9.9 HG2 PRO 14 - HD3 ARG 70 far 0 54 0 - 6.4-36.7 HG3 PRO 14 - HD3 ARG 70 far 0 54 0 - 6.4-37.9 QE MET 31 - HD3 ARG 26 far 0 38 0 - 6.9-12.7 HG3 PRO 14 - HD3 ARG 27 far 0 26 0 - 7.2-30.5 HB3 GLU 19 - HD2 ARG 23 far 0 20 0 - 7.6-17.8 HG2 ARG 66 - HD3 ARG 71 far 0 54 0 - 7.7-13.2 HD2 ARG 69 - HD3 ARG 71 far 0 39 0 - 7.9-12.9 QE MET 31 - HD3 ARG 66 far 0 81 0 - 8.1-11.4 HG2 PRO 14 - HD3 ARG 71 far 0 30 0 - 8.2-36.6 QE MET 31 - HD2 ARG 66 far 0 80 0 - 8.2-11.8 QE MET 31 - HD2 ARG 26 far 0 37 0 - 8.3-13.1 HB3 GLU 19 - HD3 ARG 23 far 0 20 0 - 8.4-17.9 QE MET 31 - HD3 ARG 71 far 0 37 0 - 8.4-13.3 HG2 PRO 14 - HD3 ARG 27 far 0 26 0 - 8.4-28.9 HG3 PRO 14 - HD3 ARG 71 far 0 30 0 - 8.5-37.1 HG2 ARG 66 - HD2 ARG 27 far 0 48 0 - 8.7-14.7 HG3 PRO 14 - HD2 ARG 27 far 0 26 0 - 8.8-29.1 HG2 ARG 66 - HD3 ARG 27 far 0 48 0 - 8.8-15.2 HB3 GLU 19 - HD3 ARG 71 far 0 27 0 - 9.0-25.1 HB3 MET 11 - HD2 ARG 26 far 0 54 0 - 9.1-34.2 HD3 ARG 69 - HD3 ARG 71 far 0 39 0 - 9.1-13.0 QE MET 31 - HD2 ARG 23 far 0 28 0 - 9.4-15.0 HB3 MET 11 - HD3 ARG 26 far 0 55 0 - 9.7-34.6 QE MET 31 - HD3 ARG 70 far 0 65 0 - 9.8-15.5 HB3 GLN 79 - HD3 ARG 23 far 0 33 0 - 9.9-29.2 QE MET 31 - HD2 ARG 70 far 0 62 0 - 9.9-14.4 HB3 GLN 79 - HD2 ARG 23 far 0 33 0 - 10.0-28.7 HB3 GLN 79 - HD2 ARG 26 far 0 44 0 - 10.0-33.3 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 69 assignments used, quality = 1.00: * HG3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 76 76 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 24 24 100 100 2.2-3.0 2.9=100 HG2 ARG 23 + HD3 ARG 23 OK 24 24 100 100 2.2-3.0 2.9=100 HB3 LEU 64 - HD3 ARG 27 poor 19 48 40 - 3.2-7.4 HG2 ARG 70 - HD3 ARG 71 poor 14 47 30 - 2.4-8.4 HB3 LEU 64 - HD2 ARG 27 poor 10 48 50 42 3.0-6.6 3.1/5019=16, ~5019=11...(9) HG2 ARG 23 - HD3 ARG 26 poor 6 32 20 - 4.0-9.1 HG LEU 29 - HD2 ARG 26 far 4 37 10 - 4.0-7.2 HG2 ARG 23 - HD3 ARG 27 far 3 28 10 - 3.3-10.7 HB2 LEU 29 - HD2 ARG 26 far 2 37 5 - 4.1-9.9 HG2 ARG 23 - HD2 ARG 26 far 2 32 5 - 4.5-9.7 HB2 LEU 29 - HD3 ARG 26 far 0 38 0 - 4.7-9.0 HG2 ARG 23 - HD2 ARG 27 far 0 28 0 - 4.8-11.7 HG LEU 29 - HD3 ARG 26 far 0 38 0 - 4.8-7.4 HG2 ARG 70 - HD2 ARG 66 far 0 94 0 - 4.8-10.8 HG3 ARG 66 - HD2 ARG 70 far 0 85 0 - 5.5-10.3 HB2 LEU 29 - HD3 ARG 17 far 0 22 0 - 5.6-24.7 HG3 ARG 66 - HD3 ARG 70 far 0 89 0 - 5.7-10.5 HG2 ARG 70 - HD3 ARG 66 far 0 95 0 - 6.0-10.5 HB2 ARG 82 - HD3 ARG 66 far 0 100 0 - 6.1-33.8 HG2 ARG 23 - HD3 ARG 71 far 0 32 0 - 6.2-17.6 HB2 LEU 29 - HD3 ARG 27 far 0 33 0 - 6.3-11.6 HG LEU 29 - HD3 ARG 27 far 0 33 0 - 6.6-9.9 HB2 LEU 29 - HD2 ARG 17 far 0 22 0 - 6.6-24.8 HB3 LYS 83 - HD3 ARG 70 far 0 63 0 - 6.6-29.9 HB2 ARG 82 - HD2 ARG 70 far 0 85 0 - 6.6-29.3 HB3 LYS 85 - HD3 ARG 70 far 0 52 0 - 6.7-32.5 HB3 LYS 83 - HD2 ARG 70 far 0 60 0 - 6.8-29.8 HB3 LYS 85 - HD2 ARG 70 far 0 49 0 - 6.9-32.1 HB2 ARG 82 - HD3 ARG 70 far 0 89 0 - 6.9-29.3 HB2 LEU 29 - HD2 ARG 27 far 0 33 0 - 6.9-11.0 HB3 LYS 13 - HD3 ARG 26 far 0 47 0 - 7.0-29.1 HG3 ARG 66 - HD3 ARG 71 far 0 54 0 - 7.1-13.2 HG LEU 29 - HD3 ARG 17 far 0 22 0 - 7.3-25.5 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 7.3-12.5 HG LEU 29 - HD2 ARG 27 far 0 33 0 - 7.3-9.2 HB2 ARG 82 - HD2 ARG 26 far 0 54 0 - 7.4-40.2 HB3 LEU 64 - HD2 ARG 26 far 0 54 0 - 7.5-14.4 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 7.5-10.9 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 100 0 - 7.7-33.0 HB3 LYS 13 - HD2 ARG 26 far 0 46 0 - 7.7-28.6 HB3 LEU 64 - HD3 ARG 26 far 0 55 0 - 7.9-14.3 HB3 LYS 85 - HD3 ARG 71 far 0 29 0 - 8.0-35.7 HG2 ARG 70 - HD2 ARG 27 far 0 41 0 - 8.1-15.0 HB3 LEU 64 - HD2 ARG 23 far 0 42 0 - 8.1-15.6 HG LEU 29 - HD2 ARG 17 far 0 22 0 - 8.1-25.5 HB3 LYS 83 - HD3 ARG 71 far 0 36 0 - 8.4-32.5 HG LEU 29 - HD2 ARG 23 far 0 28 0 - 8.4-12.7 HB3 LEU 64 - HD3 ARG 70 far 0 88 0 - 8.8-13.6 HB3 LYS 13 - HD2 ARG 17 far 0 28 0 - 8.9-15.7 HB3 LEU 64 - HD3 ARG 23 far 0 42 0 - 9.0-15.3 HB3 LYS 85 - HD3 ARG 27 far 0 25 0 - 9.0-38.4 HG LEU 29 - HD3 ARG 23 far 0 28 0 - 9.0-13.0 HB2 ARG 82 - HD3 ARG 26 far 0 55 0 - 9.1-40.0 HG2 ARG 70 - HD3 ARG 27 far 0 41 0 - 9.1-16.2 HB2 LEU 29 - HD2 ARG 23 far 0 28 0 - 9.1-15.3 HG3 ARG 66 - HD2 ARG 27 far 0 48 0 - 9.4-14.2 HB3 LYS 83 - HD2 ARG 66 far 0 78 0 - 9.4-36.3 HB3 LEU 64 - HD2 ARG 70 far 0 85 0 - 9.5-14.2 HB3 LYS 85 - HD2 ARG 26 far 0 29 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 28 0 - 9.5-15.3 HB3 LYS 85 - HD2 ARG 27 far 0 25 0 - 9.7-37.2 HB3 LYS 13 - HD3 ARG 17 far 0 28 0 - 9.7-16.3 HG LEU 29 - HD3 ARG 71 far 0 37 0 - 9.9-19.7 HB2 ARG 82 - HD3 ARG 71 far 0 54 0 - 9.9-32.2 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 69 78 100 89 3.3-3.9 4792=48, 4.9/5049=23...(11) H VAL 76 - HA ASP 67 far 0 60 0 - 7.7-16.8 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 2.5-2.9 3.0=100 HB2 ASN 49 + HA ASP 46 OK 82 90 100 91 2.9-4.2 4488=39, 1.8/5360=38...(10) HB3 PHE 48 - HA ASP 46 far 0 76 0 - 5.1-7.4 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 2.8-3.0 3.0=100 HB2 ASN 74 - HA ASP 67 far 0 65 0 - 8.6-11.6 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 2.1-2.5 749=100, 750/1.8=76...(8) H ARG 70 - HB2 ASP 67 far 0 78 0 - 5.6-6.2 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 3 assignments used, quality = 1.00: * HA ASP 67 + HB2 ASP 67 OK 100 100 100 100 2.5-2.9 3.0=100 HA ASP 24 - HB2 ASP 67 far 0 97 0 - 6.6-11.4 HA PRO 14 - HB2 ASP 67 far 0 78 0 - 9.9-32.0 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 2.5-3.4 750=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 2.8-3.0 3.0=100 HA ASP 24 - HB3 ASP 67 far 5 97 5 - 5.1-9.8 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 2 assignments used, quality = 1.00: * H ILE 68 + HA ILE 68 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 20 - HA ILE 68 far 0 92 0 - 8.5-20.1 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 65 100 100 2.4-3.7 4.0=65, 1.8/2764=58...(19) HG12 ILE 40 - HA ILE 68 far 0 99 0 - 6.9-9.0 HB2 ARG 66 - HA ILE 68 far 0 81 0 - 7.6-8.5 HB2 ARG 26 - HA ILE 68 far 0 89 0 - 9.9-13.2 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 4 assignments used, quality = 1.00: * QG2 ILE 68 + HA ILE 68 OK 100 100 100 100 2.2-2.5 3.2=100 QD1 ILE 68 + HA ILE 68 OK 61 63 100 98 2.0-3.9 4.1=47, 2.1/2764=45...(19) QG1 VAL 41 - HA ILE 68 far 0 95 0 - 5.3-7.4 QD1 LEU 43 - HA ILE 68 far 0 81 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (0.92, 3.51, 65.41 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 68 + HA ILE 68 OK 99 100 100 99 2.4-3.8 2764=66, 1.8/2747=44...(19) QG2 ILE 40 + HA ILE 68 OK 62 98 65 97 4.2-5.7 5616/3.0=34, 1940/3.0=23...(24) QG2 VAL 41 + HA ILE 68 OK 54 93 85 68 3.9-5.5 1982/3.2=26, 292/3.6=18...(9) QG2 VAL 76 - HA ILE 68 far 0 100 0 - 5.3-13.6 QG1 VAL 76 - HA ILE 68 far 0 100 0 - 7.7-12.7 QD2 LEU 62 - HA ILE 68 far 0 98 0 - 8.6-11.5 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 2.4-3.7 4.0=65, 1.8/2764=58...(19) 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 - 6.9-9.0 HB VAL 41 - HA ILE 68 far 0 99 0 - 6.9-9.0 HB3 ARG 66 - HA ILE 68 far 0 87 0 - 7.3-8.4 HB2 MET 31 - HA ILE 68 far 0 96 0 - 9.1-12.2 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 2.0-3.9 4.1=55, 2.1/2764=51...(19) QG2 ILE 68 + HA ILE 68 OK 63 63 100 100 2.2-2.5 3.2=100 QG1 VAL 41 - HA ILE 68 far 0 92 0 - 5.3-7.4 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 2 assignments used, quality = 1.00: * H ILE 68 + HB ILE 68 OK 100 100 100 100 2.3-2.7 3.9=84, 2770/2.9=54...(25) H ALA 20 - HB ILE 68 far 0 92 0 - 9.1-20.0 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 2.1-3.2 3.2=96, 5.0/2749=22...(23) QG1 VAL 41 - HB ILE 68 far 0 95 0 - 5.4-7.3 QD1 LEU 43 - HB ILE 68 far 0 81 0 - 7.0-9.8 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 8 assignments used, quality = 1.00: * HG12 ILE 68 + HB ILE 68 OK 100 100 100 100 2.4-3.0 2.9=100 QG2 ILE 40 + HB ILE 68 OK 98 98 100 100 1.9-3.8 1940=41, 3.0/5246=40...(38) QG2 VAL 41 + HB ILE 68 OK 70 93 95 79 3.2-5.2 1982/2.1=36, 292/4.4=15...(15) QG2 VAL 76 - HB ILE 68 far 0 100 0 - 5.7-14.3 QD2 LEU 62 - HB ILE 68 far 0 98 0 - 6.9-10.2 QG1 VAL 76 - HB ILE 68 far 0 100 0 - 7.6-13.5 HG LEU 51 - HB ILE 68 far 0 60 0 - 9.1-12.6 QD2 LEU 43 - HB ILE 68 far 0 73 0 - 9.2-11.5 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 2.1-3.2 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 - 5.4-7.3 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 5 92 5 - 5.7-15.1 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 2.2-2.5 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 8 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 2.2-3.2 3.2=97, 1.8/2760=28...(24) HG12 ILE 40 + QG2 ILE 68 OK 63 99 65 98 3.4-5.6 2.1/5249=56, 2.9/4753=34...(32) HB2 GLU 19 - QG2 ILE 68 far 0 95 0 - 7.1-17.2 HB2 ARG 66 - QG2 ILE 68 far 0 81 0 - 7.2-8.1 HB2 ARG 26 - QG2 ILE 68 far 0 89 0 - 7.6-11.4 HB3 ARG 26 - QG2 ILE 68 far 0 90 0 - 8.7-11.4 HB3 PRO 34 - QG2 ILE 68 far 0 76 0 - 9.7-13.1 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 95 98 100 97 1.9-3.4 3.0/5249=33, 2.1/4753=27...(39) * HG12 ILE 68 + QG2 ILE 68 OK 93 100 100 93 2.0-3.2 3.2=63, 2764/3.2=25...(20) QG2 VAL 41 + QG2 ILE 68 OK 80 93 100 86 1.9-3.3 1982=37, 4349/4753=12...(27) QG2 VAL 76 - QG2 ILE 68 far 5 100 5 - 3.2-11.3 QG1 VAL 76 - QG2 ILE 68 far 0 100 0 - 4.9-10.7 QD2 LEU 62 - QG2 ILE 68 far 0 98 0 - 7.3-10.0 QD2 LEU 43 - QG2 ILE 68 far 0 73 0 - 7.7-9.5 HG LEU 51 - QG2 ILE 68 far 0 60 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (1.92, 0.81, 17.06 ppm; 3.23 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 68 + QG2 ILE 68 OK 100 100 100 100 2.2-3.2 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 59 85 70 98 3.4-5.6 2.1/5249=59, 2.9/4753=36...(33) HB VAL 41 + QG2 ILE 68 OK 24 99 35 70 4.0-5.8 2.1/1982=31, 3.9/611=15...(13) HB2 GLU 19 - QG2 ILE 68 far 0 93 0 - 7.1-17.2 HB3 ARG 66 - QG2 ILE 68 far 0 87 0 - 7.1-8.0 HB2 MET 31 - QG2 ILE 68 far 0 96 0 - 7.3-9.9 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (0.78, 0.81, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: QG2 ILE 68 + QG2 ILE 68 OK 63 63 - 100 Reference assignment not found: QD1 ILE 68 - QG2 ILE 68 Peak 2763 from cnoeabs.peaks (8.44, 0.92, 28.80 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.0-4.0 2770/1.8=86, 4.5=84...(17) H ALA 20 - HG12 ILE 68 far 0 92 0 - 7.0-18.1 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 2.4-3.8 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 6 assignments used, quality = 1.00: * HB ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.4-3.0 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 - 4.8-8.5 HB2 ARG 66 - HG12 ILE 68 far 0 81 0 - 6.6-9.7 HB2 ARG 26 - HG12 ILE 68 far 0 89 0 - 7.8-11.2 HB3 ARG 26 - HG12 ILE 68 far 0 90 0 - 9.0-11.7 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 5 assignments used, quality = 1.00: * QG2 ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.0-3.2 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 - 6.8-8.8 QD1 LEU 43 - HG12 ILE 68 far 0 81 0 - 7.8-12.0 QD2 LEU 86 - HG12 ILE 68 far 0 73 0 - 8.3-36.8 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (0.92, 0.92, 28.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 68 + HG12 ILE 68 OK 100 100 - 100 Peak 2768 from cnoeabs.peaks (1.92, 0.92, 28.80 ppm; 3.35 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 68 + HG12 ILE 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 68 + HG12 ILE 68 OK 65 65 100 100 2.4-3.0 2.9=100 HG12 ILE 40 - HG12 ILE 68 far 4 85 5 - 4.8-8.5 HB3 ARG 66 - HG12 ILE 68 far 0 87 0 - 6.2-9.5 HB2 MET 31 - HG12 ILE 68 far 0 96 0 - 6.6-10.0 HB VAL 41 - HG12 ILE 68 far 0 99 0 - 7.7-10.0 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 2.0-3.2 3.2=100 QG1 VAL 41 - HG12 ILE 68 far 0 92 0 - 6.8-8.8 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 2 assignments used, quality = 1.00: * H ILE 68 + HG13 ILE 68 OK 100 100 100 100 1.9-3.7 2777/2.1=67, 2763/1.8=65...(23) H ALA 20 - HG13 ILE 68 far 0 92 0 - 8.7-19.6 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 2.4-3.7 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 5 assignments used, quality = 1.00: * QG2 ILE 68 + HG13 ILE 68 OK 100 100 100 100 2.2-3.2 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 - 7.1-9.0 QD1 LEU 43 - HG13 ILE 68 far 0 81 0 - 8.5-12.1 QD2 LEU 86 - HG13 ILE 68 far 0 73 0 - 9.3-37.0 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (0.92, 1.92, 28.80 ppm; 3.30 A): 2 out of 6 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 OK 38 98 40 97 3.5-6.2 2781/2.1=29, ~5247=24...(33) QG2 VAL 41 - HG13 ILE 68 far 0 93 0 - 5.1-6.8 QD2 LEU 62 - HG13 ILE 68 far 0 98 0 - 6.4-10.6 QG2 VAL 76 - HG13 ILE 68 far 0 100 0 - 6.7-15.8 QG1 VAL 76 - HG13 ILE 68 far 0 100 0 - 8.9-15.1 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 2.2-3.2 3.2=100 QG1 VAL 41 - HG13 ILE 68 far 0 92 0 - 7.1-9.0 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 2.6-3.8 2770/2.1=73, 2763/2.1=65...(20) H ALA 20 - QD1 ILE 68 far 0 92 0 - 6.8-14.9 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 2.0-3.9 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): 3 out of 8 assignments used, quality = 1.00: * HB ILE 68 + QD1 ILE 68 OK 99 100 100 99 2.1-3.2 3.2=83, 2749/2777=28...(22) HG13 ILE 68 + QD1 ILE 68 OK 65 65 100 100 2.1-2.1 2.1=100 HG12 ILE 40 + QD1 ILE 68 OK 28 99 30 94 3.8-6.4 2.1/5247=50, 2.9/5042=21...(26) HB2 ARG 26 - QD1 ILE 68 far 0 89 0 - 6.7-9.1 HB2 ARG 66 - QD1 ILE 68 far 0 81 0 - 7.0-8.2 HB3 ARG 26 - QD1 ILE 68 far 0 90 0 - 7.5-9.7 HB3 PRO 34 - QD1 ILE 68 far 0 76 0 - 8.4-11.0 HB2 GLU 19 - QD1 ILE 68 far 0 95 0 - 8.8-16.9 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 9 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 65 98 70 95 3.0-4.9 3.0/5247=37, 2.1/5042=19...(28) QG2 VAL 41 - QD1 ILE 68 far 5 93 5 - 4.0-5.6 QG2 VAL 76 - QD1 ILE 68 far 0 100 0 - 5.5-13.7 QD2 LEU 62 - QD1 ILE 68 far 0 98 0 - 6.6-8.8 QG1 VAL 76 - QD1 ILE 68 far 0 100 0 - 7.0-13.0 HG LEU 51 - QD1 ILE 68 far 0 60 0 - 7.8-11.4 QD2 LEU 43 - QD1 ILE 68 far 0 73 0 - 8.7-11.1 QG1 VAL 90 - QD1 ILE 68 far 0 81 0 - 9.8-35.1 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.92, 0.78, 13.95 ppm; 3.05 A): 3 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 2.1-3.2 3.2=84, 3.9/2777=26...(21) HG12 ILE 40 + QD1 ILE 68 OK 24 85 30 94 3.8-6.4 2.1/5247=50, 2.9/5042=21...(25) HB2 MET 31 - QD1 ILE 68 far 5 96 5 - 4.5-6.7 HB3 ARG 66 - QD1 ILE 68 far 0 87 0 - 6.3-7.7 HB VAL 41 - QD1 ILE 68 far 0 99 0 - 6.5-8.6 HB2 GLU 19 - QD1 ILE 68 far 0 93 0 - 8.8-16.9 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 2.7-2.9 2.9=100 H GLY 72 + HA ARG 69 OK 92 99 100 93 3.4-5.0 5492=63, 5397/5837=32...(16) H LYS 73 + HA ARG 69 OK 74 93 100 79 2.7-5.0 4.5/5492=33, 2816/3.9=12...(15) H VAL 76 - HA ARG 69 far 0 76 0 - 6.2-13.8 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): 3 out of 5 assignments used, quality = 1.00: * HB2 ARG 69 + HA ARG 69 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 73 + HA ARG 69 OK 38 71 80 68 2.0-6.8 4818=15, 4.0/2784=14...(16) HB2 LYS 73 + HA ARG 69 OK 35 83 65 64 2.6-8.0 4.0/2784=14, 1.8/4818=14...(15) HB3 LYS 75 - HA ARG 69 far 0 92 0 - 6.2-12.5 HB3 LYS 39 - HA ARG 69 far 0 83 0 - 8.5-11.1 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 2.2-3.8 3.9=79, 763/2.9=28...(30) HG3 LYS 73 - HA ARG 69 poor 13 99 30 45 3.8-7.9 5258/4767=14...(8) QB ALA 77 - HA ARG 69 far 0 85 0 - 6.7-14.5 QB ALA 20 - HA ARG 69 far 0 89 0 - 7.0-17.7 HG2 LYS 75 - HA ARG 69 far 0 100 0 - 7.4-14.8 HG3 LYS 75 - HA ARG 69 far 0 100 0 - 7.4-14.6 HG3 LYS 39 - HA ARG 69 far 0 97 0 - 7.7-11.4 QB ALA 78 - HA ARG 69 far 0 99 0 - 8.1-17.6 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 2.1-4.2 3.9=100 QG1 VAL 65 - HA ARG 69 far 5 99 5 - 5.4-7.4 HG13 ILE 40 - HA ARG 69 far 5 98 5 - 5.5-7.9 QG2 VAL 65 - HA ARG 69 far 0 63 0 - 5.9-9.2 HG13 ILE 33 - HA ARG 69 far 0 81 0 - 9.5-13.0 Violated in 1 structures by 0.01 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 2.2-3.8 3.9=71, 763/2.9=30...(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 poor 10 97 25 40 3.8-7.9 5258/4767=13...(6) QB ALA 77 - HA ARG 69 far 0 100 0 - 6.7-14.5 QB ALA 20 - HA ARG 69 far 0 100 0 - 7.0-17.7 HG2 LYS 75 - HA ARG 69 far 0 95 0 - 7.4-14.8 HG3 LYS 75 - HA ARG 69 far 0 95 0 - 7.4-14.6 HG3 LYS 39 - HA ARG 69 far 0 63 0 - 7.7-11.4 QB ALA 78 - HA ARG 69 far 0 97 0 - 8.1-17.6 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 2.1-2.6 760=100, 2800/1.8=55...(17) H GLY 72 - HB2 ARG 69 far 5 99 5 - 5.3-6.4 H LYS 73 - HB2 ARG 69 far 0 93 0 - 5.3-6.8 H VAL 76 - HB2 ARG 69 far 0 76 0 - 6.2-15.1 H ALA 63 - HB2 ARG 69 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (3.63, 1.80, 29.46 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.5-3.0 3.0=100 HA ILE 40 + HB2 ARG 69 OK 38 100 40 96 4.1-7.2 3.2/4303=52, ~4302=28...(21) HA VAL 65 - HB2 ARG 69 far 15 100 15 - 4.7-7.0 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 9 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 77 - HB2 ARG 69 far 0 85 0 - 5.1-15.6 HG3 LYS 73 - HB2 ARG 69 far 0 99 0 - 5.4-9.7 HG3 LYS 75 - HB2 ARG 69 far 0 100 0 - 6.8-15.8 HG2 LYS 75 - HB2 ARG 69 far 0 100 0 - 7.0-16.2 QB ALA 78 - HB2 ARG 69 far 0 99 0 - 7.7-19.1 HG3 LYS 39 - HB2 ARG 69 far 0 97 0 - 7.8-13.0 QB ALA 20 - HB2 ARG 69 far 0 89 0 - 8.8-19.7 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 2.3-3.0 3.0=100 QG1 VAL 65 + HB2 ARG 69 OK 60 99 80 76 3.6-5.6 762/760=25, 4718/5979=24...(12) HG13 ILE 40 - HB2 ARG 69 poor 20 98 20 - 4.8-7.3 QG2 VAL 65 - HB2 ARG 69 far 3 63 5 - 4.7-7.8 HG13 ILE 33 - HB2 ARG 69 far 0 81 0 - 9.7-13.0 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 9 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 77 - HB2 ARG 69 far 0 100 0 - 5.1-15.6 HG3 LYS 73 - HB2 ARG 69 far 0 97 0 - 5.4-9.7 HG3 LYS 75 - HB2 ARG 69 far 0 95 0 - 6.8-15.8 HG2 LYS 75 - HB2 ARG 69 far 0 95 0 - 7.0-16.2 QB ALA 78 - HB2 ARG 69 far 0 97 0 - 7.7-19.1 HG3 LYS 39 - HB2 ARG 69 far 0 63 0 - 7.8-13.0 QB ALA 20 - HB2 ARG 69 far 0 100 0 - 8.8-19.7 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (2.03, 1.80, 29.46 ppm; 4.27 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.2-4.2 3.9=100 HD2 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.2-4.1 3.9=100 HG2 ARG 66 + HB2 ARG 69 OK 29 83 50 69 4.8-7.2 4.1/5047=49...(7) HB VAL 76 - HB2 ARG 69 far 0 93 0 - 6.3-15.6 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (7.98, 1.39, 29.46 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.4-3.6 4.0=98, 760/1.8=89...(18) H LYS 73 + HB3 ARG 69 OK 25 93 35 77 4.8-7.0 2784/3.0=17, 2816/3.0=17...(15) H GLY 72 - HB3 ARG 69 far 0 99 0 - 5.5-6.7 H VAL 76 - HB3 ARG 69 far 0 76 0 - 5.8-15.1 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.63, 1.39, 29.46 ppm; 4.14 A): 2 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 OK 42 100 45 95 4.5-7.6 3.2/4302=40, ~4303=35...(20) HA VAL 65 - HB3 ARG 69 far 10 100 10 - 5.4-8.6 Violated in 0 structures by 0.00 A. Peak 2802 from cnoeabs.peaks (1.80, 1.39, 29.46 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 73 - HB3 ARG 69 poor 16 83 30 63 4.1-9.9 2786/3.0=10...(20) HB3 LYS 73 - HB3 ARG 69 poor 14 71 20 - 3.4-8.2 HB3 LYS 75 - HB3 ARG 69 far 0 92 0 - 6.2-14.1 HB3 LYS 39 - HB3 ARG 69 far 0 83 0 - 8.4-12.5 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): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 QG1 VAL 65 + HB3 ARG 69 OK 43 99 65 68 4.1-7.0 2796/1.8=28, 762/4.0=21...(10) HG13 ILE 40 + HB3 ARG 69 OK 22 98 25 88 5.0-7.7 3.2/4302=35, ~4303=29...(17) QG2 VAL 65 - HB3 ARG 69 far 9 63 15 - 5.1-9.3 HG13 ILE 33 - HB3 ARG 69 far 0 81 0 - 9.6-13.5 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 5 assignments used, quality = 1.00: HD2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.0-3.9 3.9=100 * HD3 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.0-4.2 3.9=100 HB VAL 76 - HB3 ARG 69 poor 19 93 20 - 4.7-15.4 HG2 ARG 66 - HB3 ARG 69 poor 17 83 30 68 5.0-8.1 4.1/4766=52, 2799/1.8=11...(6) HG2 PRO 44 - HB3 ARG 69 far 0 89 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (7.98, 1.24, 27.02 ppm; 4.48 A): 3 out of 8 assignments used, quality = 1.00: * H ARG 69 + HG2 ARG 69 OK 100 100 100 100 3.4-4.6 4.7=87, 760/3.0=83...(18) H LYS 73 + HG2 ARG 69 OK 56 93 80 74 4.1-7.4 2816/1.8=26...(11) H GLY 72 + HG2 ARG 69 OK 35 99 40 88 5.3-7.9 15492/3.9=54...(12) H ALA 30 - HG13 ILE 33 poor 5 63 40 21 5.3-8.2 4841/4776=9, 85/5030=8...(5) H VAL 76 - HG2 ARG 69 far 4 76 5 - 6.0-13.1 H ALA 63 - HG13 ILE 33 far 0 62 0 - 7.9-10.1 H ARG 69 - HG13 ILE 33 far 0 63 0 - 8.4-11.3 H GLY 72 - HG13 ILE 33 far 0 60 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (3.63, 1.24, 27.02 ppm; 4.15 A): 3 out of 7 assignments used, quality = 1.00: * HA ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.1-4.2 3.9=100 HA ILE 40 + HG2 ARG 69 OK 52 100 55 95 4.2-7.5 5120/5981=30, ~4303=24...(19) HA VAL 65 + HG13 ILE 33 OK 33 63 60 88 3.6-7.0 ~4211=31, ~4727=26...(14) HA VAL 65 - HG2 ARG 69 far 0 100 0 - 6.5-9.3 HD3 PRO 14 - HG13 ILE 33 far 0 56 0 - 7.1-24.4 HA ILE 40 - HG13 ILE 33 far 0 62 0 - 8.2-11.4 HA ARG 69 - HG13 ILE 33 far 0 63 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 2810 from cnoeabs.peaks (1.80, 1.24, 27.02 ppm; 3.55 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 73 + HG2 ARG 69 OK 22 71 55 57 3.6-7.8 2818/1.8=11...(16) HB2 LYS 73 - HG2 ARG 69 poor 18 83 45 49 2.6-9.5 2818/1.8=11, 4.0/2808=9...(12) HB2 LYS 32 - HG13 ILE 33 far 2 31 5 - 5.0-7.8 HB3 LYS 32 - HG13 ILE 33 far 0 31 0 - 5.7-8.2 HB3 LYS 75 - HG2 ARG 69 far 0 92 0 - 6.7-14.5 HB2 PRO 34 - HG13 ILE 33 far 0 41 0 - 7.7-8.7 HB2 LYS 13 - HG13 ILE 33 far 0 55 0 - 7.9-25.0 HB3 LYS 39 - HG13 ILE 33 far 0 46 0 - 8.3-13.2 HB3 LYS 39 - HG2 ARG 69 far 0 83 0 - 8.6-12.2 HB ILE 89 - HG13 ILE 33 far 0 44 0 - 9.0-51.7 HB3 ARG 84 - HG2 ARG 69 far 0 100 0 - 9.5-31.2 HB2 LYS 83 - HG2 ARG 69 far 0 81 0 - 9.6-28.4 HB2 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.7-13.0 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 15 assignments used, quality = 1.00: * HB3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HG2 ARG 69 OK 87 87 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HG2 ARG 69 poor 20 99 20 - 3.4-9.1 HG2 LYS 75 - HG2 ARG 69 far 0 100 0 - 6.0-16.2 QB ALA 78 - HG2 ARG 69 far 0 99 0 - 6.3-16.7 QB ALA 77 - HG2 ARG 69 far 0 85 0 - 6.5-15.7 HG3 LYS 75 - HG2 ARG 69 far 0 100 0 - 6.5-14.7 HG3 LYS 39 - HG2 ARG 69 far 0 97 0 - 7.3-13.1 HG3 LYS 39 - HG13 ILE 33 far 0 58 0 - 8.2-12.6 HG2 LYS 13 - HG13 ILE 33 far 0 31 0 - 8.4-27.8 QB ALA 20 - HG13 ILE 33 far 0 50 0 - 8.5-14.8 HG2 LYS 83 - HG2 ARG 69 far 0 68 0 - 8.7-30.3 QB ALA 20 - HG2 ARG 69 far 0 89 0 - 9.2-19.9 HB3 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.6-13.5 HG2 LYS 75 - HG13 ILE 33 far 0 62 0 - 9.9-23.5 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 15 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 2.2-3.0 3.0=100 HG3 LYS 73 - HG2 ARG 69 poor 19 97 20 - 3.4-9.1 HG2 LYS 75 - HG2 ARG 69 far 0 95 0 - 6.0-16.2 QB ALA 16 - HG13 ILE 33 far 0 50 0 - 6.1-18.1 QB ALA 78 - HG2 ARG 69 far 0 97 0 - 6.3-16.7 QB ALA 77 - HG2 ARG 69 far 0 100 0 - 6.5-15.7 HG3 LYS 75 - HG2 ARG 69 far 0 95 0 - 6.5-14.7 HG3 LYS 39 - HG2 ARG 69 far 0 63 0 - 7.3-13.1 HG3 LYS 39 - HG13 ILE 33 far 0 33 0 - 8.2-12.6 QB ALA 20 - HG13 ILE 33 far 0 63 0 - 8.5-14.8 HG2 LYS 83 - HG2 ARG 69 far 0 99 0 - 8.7-30.3 QB ALA 20 - HG2 ARG 69 far 0 100 0 - 9.2-19.9 HB3 ARG 69 - HG13 ILE 33 far 0 49 0 - 9.6-13.5 HG2 LYS 75 - HG13 ILE 33 far 0 55 0 - 9.9-23.5 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 10 assignments used, quality = 1.00: HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 4 83 5 - 5.5-9.6 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 6.7-12.8 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 7.7-11.0 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 7.8-10.6 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 8.8-11.6 HB3 GLU 19 - HG13 ILE 33 far 0 60 0 - 9.1-20.8 HG2 ARG 66 - HG13 ILE 33 far 0 46 0 - 9.5-11.5 HG2 PRO 56 - HG13 ILE 33 far 0 61 0 - 9.9-14.6 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 10 assignments used, quality = 1.00: * HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 4 83 5 - 5.5-9.6 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 6.7-12.8 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 7.7-11.0 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 7.8-10.6 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 8.8-11.6 HB3 GLU 19 - HG13 ILE 33 far 0 60 0 - 9.1-20.8 HG2 ARG 66 - HG13 ILE 33 far 0 46 0 - 9.5-11.5 HG2 PRO 56 - HG13 ILE 33 far 0 61 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (7.98, 1.38, 27.02 ppm; 4.43 A): 3 out of 4 assignments used, quality = 1.00: * H ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.7-4.7 4.7=84, 760/3.0=82...(19) H LYS 73 + HG3 ARG 69 OK 60 93 75 85 4.3-7.2 2808/1.8=22, 790=21...(17) H GLY 72 + HG3 ARG 69 OK 22 99 25 90 5.0-7.8 5492/3.9=53, 5839/3.0=25...(14) H VAL 76 - HG3 ARG 69 far 0 76 0 - 6.2-13.8 Violated in 1 structures by 0.01 A. Peak 2817 from cnoeabs.peaks (3.63, 1.38, 27.02 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.8 3.9=100 HA ILE 40 - HG3 ARG 69 poor 20 100 20 - 4.3-8.5 HA VAL 65 - HG3 ARG 69 far 0 100 0 - 6.4-9.4 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (1.80, 1.38, 27.02 ppm; 3.94 A): 3 out of 6 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 28 83 50 67 2.7-8.5 4.0/2816=13, 2810/1.8=11...(20) HB3 LYS 73 + HG3 ARG 69 OK 28 71 60 66 3.4-6.8 2810/1.8=13, 4.0/2816=13...(18) HB3 LYS 75 - HG3 ARG 69 far 0 92 0 - 6.6-13.5 HB3 LYS 39 - HG3 ARG 69 far 0 83 0 - 8.6-13.4 HB2 LYS 83 - HG3 ARG 69 far 0 81 0 - 9.1-28.7 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 10 99 10 - 4.3-7.3 QG2 VAL 65 - HG3 ARG 69 far 0 63 0 - 5.3-9.5 HG13 ILE 40 - HG3 ARG 69 far 0 98 0 - 5.4-8.9 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: HD3 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 - HG3 ARG 69 far 0 83 0 - 5.8-9.9 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 5.9-13.7 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.8-12.1 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: * HD3 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 66 - HG3 ARG 69 far 0 83 0 - 5.8-9.9 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 5.9-13.7 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.32 A): 4 out of 6 assignments used, quality = 1.00: * HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.4-4.6 4.6=81, 2789/3.0=39...(25) HA ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.7-4.8 4.6=81, 2789/3.0=39...(25) HA ILE 40 + HD2 ARG 69 OK 38 100 45 85 3.7-8.3 5120/4789=24...(13) HA ILE 40 + HD3 ARG 69 OK 29 100 35 84 4.0-7.6 5120/4789=23...(13) HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.2-9.9 HA VAL 65 - HD2 ARG 69 far 0 100 0 - 6.8-9.5 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 + HD3 ARG 69 OK 100 100 100 100 2.2-4.2 3.9=100 * HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-4.1 3.9=100 HB2 LYS 73 - HD3 ARG 69 poor 20 83 45 53 2.0-10.4 2818/3.0=12, 2810/3.0=10...(12) HB3 LYS 73 - HD2 ARG 69 poor 19 71 50 53 2.9-8.2 2818/3.0=12, 2810/3.0=12...(17) HB2 LYS 73 - HD2 ARG 69 poor 18 83 40 54 2.9-9.6 2818/3.0=12, 2810/3.0=10...(15) HB3 LYS 73 - HD3 ARG 69 poor 14 71 40 51 3.0-9.2 2818/3.0=12, 2810/3.0=12...(14) HB3 LYS 75 - HD3 ARG 69 far 9 92 10 - 5.7-13.6 HB3 LYS 75 - HD2 ARG 69 far 0 92 0 - 6.0-14.7 HB3 LYS 39 - HD2 ARG 69 far 0 83 0 - 8.8-13.2 HB3 LYS 39 - HD3 ARG 69 far 0 83 0 - 8.9-12.5 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 18 assignments used, quality = 1.00: * HB3 ARG 69 + HD2 ARG 69 OK 99 100 100 99 2.0-3.9 3.9=92, 2813/3.0=24...(17) HB3 ARG 69 + HD3 ARG 69 OK 99 100 100 99 2.0-4.2 3.9=92, 2813/3.0=24...(17) HG3 ARG 69 + HD3 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD2 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 73 - HD2 ARG 69 far 15 99 15 - 4.4-9.4 HG3 LYS 73 - HD3 ARG 69 poor 9 99 30 31 3.5-10.5 ~2818=4, ~2810=4...(12) HG2 LYS 75 - HD3 ARG 69 far 5 100 5 - 3.8-15.7 HG3 LYS 75 - HD3 ARG 69 far 5 100 5 - 4.2-15.1 HG3 LYS 75 - HD2 ARG 69 far 5 100 5 - 4.3-16.3 HG2 LYS 75 - HD2 ARG 69 far 5 100 5 - 4.5-16.9 QB ALA 78 - HD2 ARG 69 far 5 99 5 - 4.8-18.7 QB ALA 77 - HD2 ARG 69 far 4 85 5 - 4.5-15.5 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 5.4-15.1 QB ALA 78 - HD3 ARG 69 far 0 99 0 - 6.2-17.3 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 7.5-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 7.5-12.9 QB ALA 20 - HD2 ARG 69 far 0 89 0 - 9.6-20.9 HG2 LYS 83 - HD3 ARG 69 far 0 68 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 QG1 VAL 65 - HD3 ARG 69 poor 16 99 30 55 4.3-7.9 2796/3.9=18...(9) QG1 VAL 65 - HD2 ARG 69 far 10 99 10 - 4.5-7.8 HG13 ILE 40 - HD3 ARG 69 far 10 98 10 - 5.1-9.0 HG13 ILE 40 - HD2 ARG 69 far 10 98 10 - 5.2-9.5 QG2 VAL 65 - HD3 ARG 69 far 3 63 5 - 5.2-10.1 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 5.7-9.7 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 18 assignments used, quality = 1.00: HG3 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 69 + HD2 ARG 69 OK 84 87 100 97 2.0-3.9 3.9=83, 2813/3.0=32...(17) HB3 ARG 69 + HD3 ARG 69 OK 84 87 100 97 2.0-4.2 3.9=83, 2813/3.0=32...(16) HG3 LYS 73 - HD3 ARG 69 poor 9 97 30 29 3.5-10.5 ~2818=4, 4341/4343=4...(11) QB ALA 77 - HD2 ARG 69 far 5 100 5 - 4.5-15.5 HG3 LYS 73 - HD2 ARG 69 far 5 97 5 - 4.4-9.4 QB ALA 78 - HD2 ARG 69 far 5 97 5 - 4.8-18.7 HG2 LYS 75 - HD3 ARG 69 far 5 95 5 - 3.8-15.7 HG3 LYS 75 - HD3 ARG 69 far 5 95 5 - 4.2-15.1 HG3 LYS 75 - HD2 ARG 69 far 5 95 5 - 4.3-16.3 HG2 LYS 75 - HD2 ARG 69 far 5 95 5 - 4.5-16.9 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 5.4-15.1 QB ALA 78 - HD3 ARG 69 far 0 97 0 - 6.2-17.3 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 7.5-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 7.5-12.9 QB ALA 20 - HD2 ARG 69 far 0 100 0 - 9.6-20.9 HG2 LYS 83 - HD3 ARG 69 far 0 99 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2830 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 * HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Peak 2831 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Reference assignment not found: HD3 ARG 69 - HD2 ARG 69 Peak 2833 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.32 A): 4 out of 6 assignments used, quality = 1.00: HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.4-4.6 4.6=81, 2789/3.0=39...(25) * HA ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.7-4.8 4.6=81, 2789/3.0=39...(25) HA ILE 40 + HD2 ARG 69 OK 38 100 45 85 3.7-8.3 5120/4789=24...(13) HA ILE 40 + HD3 ARG 69 OK 29 100 35 84 4.0-7.6 5120/4789=23...(13) HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.2-9.9 HA VAL 65 - HD2 ARG 69 far 0 100 0 - 6.8-9.5 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 + HD3 ARG 69 OK 100 100 100 100 2.2-4.2 3.9=100 HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-4.1 3.9=100 HB2 LYS 73 - HD3 ARG 69 poor 20 83 45 53 2.0-10.4 2818/3.0=12, 2810/3.0=10...(12) HB3 LYS 73 - HD2 ARG 69 poor 19 71 50 53 2.9-8.2 2818/3.0=12, 2810/3.0=12...(17) HB2 LYS 73 - HD2 ARG 69 poor 18 83 40 54 2.9-9.6 2818/3.0=12, 2810/3.0=10...(15) HB3 LYS 73 - HD3 ARG 69 poor 14 71 40 51 3.0-9.2 2818/3.0=12, 2810/3.0=12...(14) HB3 LYS 75 - HD3 ARG 69 far 9 92 10 - 5.7-13.6 HB3 LYS 75 - HD2 ARG 69 far 0 92 0 - 6.0-14.7 HB3 LYS 39 - HD2 ARG 69 far 0 83 0 - 8.8-13.2 HB3 LYS 39 - HD3 ARG 69 far 0 83 0 - 8.9-12.5 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 18 assignments used, quality = 1.00: HB3 ARG 69 + HD2 ARG 69 OK 99 100 100 99 2.0-3.9 3.9=92, 2813/3.0=24...(17) * HB3 ARG 69 + HD3 ARG 69 OK 99 100 100 99 2.0-4.2 3.9=92, 2813/3.0=24...(17) HG3 ARG 69 + HD3 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD2 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 73 - HD2 ARG 69 far 15 99 15 - 4.4-9.4 HG3 LYS 73 - HD3 ARG 69 poor 9 99 30 31 3.5-10.5 ~2818=4, ~2810=4...(12) HG2 LYS 75 - HD3 ARG 69 far 5 100 5 - 3.8-15.7 HG3 LYS 75 - HD3 ARG 69 far 5 100 5 - 4.2-15.1 HG3 LYS 75 - HD2 ARG 69 far 5 100 5 - 4.3-16.3 HG2 LYS 75 - HD2 ARG 69 far 5 100 5 - 4.5-16.9 QB ALA 78 - HD2 ARG 69 far 5 99 5 - 4.8-18.7 QB ALA 77 - HD2 ARG 69 far 4 85 5 - 4.5-15.5 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 5.4-15.1 QB ALA 78 - HD3 ARG 69 far 0 99 0 - 6.2-17.3 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 7.5-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 7.5-12.9 QB ALA 20 - HD2 ARG 69 far 0 89 0 - 9.6-20.9 HG2 LYS 83 - HD3 ARG 69 far 0 68 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 QG1 VAL 65 - HD3 ARG 69 poor 16 99 30 55 4.3-7.9 2796/3.9=18...(9) QG1 VAL 65 - HD2 ARG 69 far 10 99 10 - 4.5-7.8 HG13 ILE 40 - HD3 ARG 69 far 10 98 10 - 5.1-9.0 HG13 ILE 40 - HD2 ARG 69 far 10 98 10 - 5.2-9.5 QG2 VAL 65 - HD3 ARG 69 far 3 63 5 - 5.2-10.1 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 5.7-9.7 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 18 assignments used, quality = 1.00: * HG3 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 69 + HD2 ARG 69 OK 84 87 100 97 2.0-3.9 3.9=83, 2813/3.0=32...(17) HB3 ARG 69 + HD3 ARG 69 OK 84 87 100 97 2.0-4.2 3.9=83, 2813/3.0=32...(16) HG3 LYS 73 - HD3 ARG 69 poor 9 97 30 29 3.5-10.5 ~2818=4, 4341/4343=4...(11) QB ALA 77 - HD2 ARG 69 far 5 100 5 - 4.5-15.5 HG3 LYS 73 - HD2 ARG 69 far 5 97 5 - 4.4-9.4 QB ALA 78 - HD2 ARG 69 far 5 97 5 - 4.8-18.7 HG2 LYS 75 - HD3 ARG 69 far 5 95 5 - 3.8-15.7 HG3 LYS 75 - HD3 ARG 69 far 5 95 5 - 4.2-15.1 HG3 LYS 75 - HD2 ARG 69 far 5 95 5 - 4.3-16.3 HG2 LYS 75 - HD2 ARG 69 far 5 95 5 - 4.5-16.9 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 5.4-15.1 QB ALA 78 - HD3 ARG 69 far 0 97 0 - 6.2-17.3 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 7.5-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 7.5-12.9 QB ALA 20 - HD2 ARG 69 far 0 100 0 - 9.6-20.9 HG2 LYS 83 - HD3 ARG 69 far 0 99 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Reference assignment not found: HD2 ARG 69 - HD3 ARG 69 Peak 2839 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Peak 2840 from cnoeabs.peaks (7.95, 4.00, 58.60 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HA ARG 70 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 76 - HA ARG 70 lone 1 99 25 6 2.4-10.8 341/5984=3, 4.6/5391=2 H ASP 67 - HA ARG 70 far 0 78 0 - 6.8-8.2 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 HB2 GLN 79 - HA ARG 70 far 0 96 0 - 6.4-16.2 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 6.6-9.0 HB VAL 41 - HA ARG 70 far 0 71 0 - 7.7-9.8 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 HB2 GLN 79 - HA ARG 70 far 0 96 0 - 6.4-16.2 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 6.6-9.0 HB VAL 41 - HA ARG 70 far 0 71 0 - 7.7-9.8 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 5 assignments used, quality = 1.00: * HG2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.9-3.8 4.0=90, 1.8/2873=68...(20) HB2 ARG 82 - HA ARG 70 far 0 93 0 - 6.8-26.1 HG3 ARG 66 - HA ARG 70 far 0 95 0 - 7.5-10.9 HB3 LYS 83 - HA ARG 70 far 0 98 0 - 8.3-26.3 HB2 ARG 84 - HA ARG 70 far 0 87 0 - 9.3-30.4 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.61, 4.00, 58.60 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.5-3.9 4.0=92, 1.8/2844=75...(20) HG2 ARG 71 + HA ARG 70 OK 35 99 45 78 4.9-7.0 2920/3.6=28, 771/2.9=22...(13) HD2 LYS 73 - HA ARG 70 poor 20 100 20 - 4.2-7.7 HD3 LYS 73 - HA ARG 70 poor 17 100 25 68 4.2-7.8 3.5/15061=40...(7) HG2 ARG 84 - HA ARG 70 far 0 85 0 - 6.4-29.3 HG3 ARG 84 - HA ARG 70 far 0 85 0 - 7.1-30.5 HB2 LEU 86 - HA ARG 70 far 0 100 0 - 9.8-35.4 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (3.21, 4.00, 58.60 ppm; 5.09 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-5.5 5.3=89, 3.0/2844=88...(24) HD3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.6-5.5 5.3=89, 3.0/2844=88...(24) HD3 ARG 71 + HA ARG 70 OK 27 99 35 79 4.9-8.2 6136/3.6=23, 3.0/2845=20...(12) HD2 ARG 66 - HA ARG 70 far 0 89 0 - 7.2-11.0 HD3 ARG 66 - HA ARG 70 far 0 85 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (3.20, 4.00, 58.60 ppm; 5.09 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.6-5.5 5.3=89, 3.0/2844=88...(24) HD2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-5.5 5.3=89, 3.0/2844=88...(24) HD3 ARG 71 + HA ARG 70 OK 28 100 35 79 4.9-8.2 6136/3.6=23, 3.0/2845=20...(12) HD2 ARG 66 - HA ARG 70 far 0 92 0 - 7.2-11.0 HD3 ARG 66 - HA ARG 70 far 0 89 0 - 7.5-10.6 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 11 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...(20) * H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 4.1=54, 770/2.9=41...(20) H ASP 67 + HB3 ARG 66 OK 58 64 100 91 2.3-4.0 4.6=36, 937/742=34...(16) H VAL 76 - HB2 ARG 70 far 15 99 15 - 3.4-13.0 H ASP 67 - HB3 ARG 70 far 8 78 10 - 4.1-8.0 H VAL 76 - HB3 ARG 70 far 5 99 5 - 4.0-11.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 4.9-8.2 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-6.6 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.3-7.1 H VAL 76 - HB3 ARG 66 far 0 86 0 - 9.4-19.3 H ALA 63 - HB3 ARG 70 far 0 71 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.33 A): 3 out of 7 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 2.5-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 11 71 15 - 4.5-7.6 HA ARG 66 - HB2 ARG 70 far 4 71 5 - 4.7-8.3 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 6.6-9.0 HA PHE 48 - HB3 ARG 66 far 0 52 0 - 9.2-12.6 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 18 assignments used, quality = 1.00: * HG2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 ARG 70 + HB3 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 9 89 10 - 4.5-9.0 HG3 ARG 66 - HB3 ARG 70 far 5 95 5 - 4.8-10.2 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 5.8-10.7 HB2 ARG 82 - HB2 ARG 70 far 0 93 0 - 5.9-28.8 HB2 ARG 82 - HB3 ARG 70 far 0 93 0 - 6.5-27.3 HB2 ARG 82 - HB3 ARG 66 far 0 79 0 - 6.8-33.6 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 6.8-8.7 HB2 ARG 84 - HB2 ARG 70 far 0 87 0 - 7.2-33.3 HB2 ARG 84 - HB3 ARG 70 far 0 87 0 - 7.6-32.0 HB3 LYS 83 - HB2 ARG 70 far 0 98 0 - 8.2-29.1 HB3 LEU 64 - HB3 ARG 70 far 0 97 0 - 8.6-12.7 HB3 LYS 85 - HB2 ARG 70 far 0 93 0 - 8.6-31.9 HB3 LYS 83 - HB3 ARG 70 far 0 98 0 - 9.4-28.1 HB3 LYS 83 - HB3 ARG 66 far 0 85 0 - 9.5-33.2 HB3 LYS 85 - HB3 ARG 70 far 0 93 0 - 9.5-30.6 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 4 out of 25 assignments used, quality = 1.00: * HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 70 OK 51 99 65 79 2.7-6.6 2920/4.4=20, 2869/2.9=17...(21) HG2 ARG 71 + HB3 ARG 70 OK 46 99 60 77 3.0-6.8 2920/4.4=20, 2869/2.9=17...(22) HB3 LEU 62 - HB3 ARG 66 poor 10 59 40 41 4.5-7.0 ~5099=8, ~5958=7...(10) HG3 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.4-9.7 HG2 ARG 84 - HB2 ARG 70 far 4 85 5 - 4.5-32.1 HG3 ARG 84 - HB2 ARG 70 far 4 85 5 - 4.9-33.3 HG2 ARG 84 - HB3 ARG 70 far 0 85 0 - 5.1-30.8 HG3 ARG 84 - HB3 ARG 70 far 0 85 0 - 5.3-32.0 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.3-9.9 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.4-9.7 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.4-10.0 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 6.5-10.9 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.6-9.8 HB2 LEU 86 - HB3 ARG 70 far 0 100 0 - 7.5-37.1 HB2 LEU 86 - HB2 ARG 70 far 0 100 0 - 7.8-38.4 HB2 LEU 86 - HB3 ARG 66 far 0 89 0 - 8.5-41.6 HD2 LYS 73 - HB3 ARG 66 far 0 89 0 - 9.4-16.4 HG3 ARG 84 - HB3 ARG 66 far 0 70 0 - 9.4-37.9 HB3 LEU 51 - HB3 ARG 66 far 0 80 0 - 9.5-13.8 HG LEU 86 - HB3 ARG 66 far 0 79 0 - 9.5-43.0 HG3 ARG 27 - HB3 ARG 70 far 0 83 0 - 9.7-15.7 HG2 ARG 27 - HB3 ARG 66 far 0 70 0 - 9.7-14.6 HB3 LEU 62 - HB3 ARG 70 far 0 73 0 - 9.9-13.4 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 2.3-3.8 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.4-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 100 100 2.0-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 poor 20 99 20 - 2.4-8.7 HD2 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.9-8.7 HD3 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.6-9.6 HD3 ARG 71 - HB3 ARG 70 poor 15 99 25 61 3.6-8.3 5.8/305=12, 3.0/2861=9...(18) HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 * HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.4-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.0-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 poor 20 100 20 - 2.4-8.7 HD3 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.6-9.6 HD2 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.9-8.7 HD3 ARG 71 - HB3 ARG 70 poor 15 100 25 61 3.6-8.3 5.8/305=12, 3.0/2861=9...(18) HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 8.1-11.5 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 11 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...(20) H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 4.1=54, 770/2.9=41...(20) H ASP 67 + HB3 ARG 66 OK 58 64 100 91 2.3-4.0 4.6=36, 937/742=34...(16) H VAL 76 - HB2 ARG 70 far 15 99 15 - 3.4-13.0 H ASP 67 - HB3 ARG 70 far 8 78 10 - 4.1-8.0 H VAL 76 - HB3 ARG 70 far 5 99 5 - 4.0-11.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 4.9-8.2 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-6.6 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.3-7.1 H VAL 76 - HB3 ARG 66 far 0 86 0 - 9.4-19.3 H ALA 63 - HB3 ARG 70 far 0 71 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.33 A): 3 out of 7 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 2.5-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 11 71 15 - 4.5-7.6 HA ARG 66 - HB2 ARG 70 far 4 71 5 - 4.7-8.3 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 6.6-9.0 HA PHE 48 - HB3 ARG 66 far 0 52 0 - 9.2-12.6 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 18 assignments used, quality = 1.00: HG2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 ARG 70 + HB3 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 9 89 10 - 4.5-9.0 HG3 ARG 66 - HB3 ARG 70 far 5 95 5 - 4.8-10.2 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 5.8-10.7 HB2 ARG 82 - HB2 ARG 70 far 0 93 0 - 5.9-28.8 HB2 ARG 82 - HB3 ARG 70 far 0 93 0 - 6.5-27.3 HB2 ARG 82 - HB3 ARG 66 far 0 79 0 - 6.8-33.6 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 6.8-8.7 HB2 ARG 84 - HB2 ARG 70 far 0 87 0 - 7.2-33.3 HB2 ARG 84 - HB3 ARG 70 far 0 87 0 - 7.6-32.0 HB3 LYS 83 - HB2 ARG 70 far 0 98 0 - 8.2-29.1 HB3 LEU 64 - HB3 ARG 70 far 0 97 0 - 8.6-12.7 HB3 LYS 85 - HB2 ARG 70 far 0 93 0 - 8.6-31.9 HB3 LYS 83 - HB3 ARG 70 far 0 98 0 - 9.4-28.1 HB3 LYS 83 - HB3 ARG 66 far 0 85 0 - 9.5-33.2 HB3 LYS 85 - HB3 ARG 70 far 0 93 0 - 9.5-30.6 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 4 out of 25 assignments used, quality = 1.00: HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 70 OK 51 99 65 79 2.7-6.6 2920/4.4=20, 2869/2.9=17...(21) HG2 ARG 71 + HB3 ARG 70 OK 46 99 60 77 3.0-6.8 2920/4.4=20, 2869/2.9=17...(22) HB3 LEU 62 - HB3 ARG 66 poor 10 59 40 41 4.5-7.0 ~5099=8, ~5958=7...(10) HG3 ARG 70 - HB3 ARG 66 far 4 89 5 - 4.4-9.7 HG2 ARG 84 - HB2 ARG 70 far 4 85 5 - 4.5-32.1 HG3 ARG 84 - HB2 ARG 70 far 4 85 5 - 4.9-33.3 HG2 ARG 84 - HB3 ARG 70 far 0 85 0 - 5.1-30.8 HG3 ARG 84 - HB3 ARG 70 far 0 85 0 - 5.3-32.0 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.3-9.9 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.4-9.7 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.4-10.0 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 6.5-10.9 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.6-9.8 HB2 LEU 86 - HB3 ARG 70 far 0 100 0 - 7.5-37.1 HB2 LEU 86 - HB2 ARG 70 far 0 100 0 - 7.8-38.4 HB2 LEU 86 - HB3 ARG 66 far 0 89 0 - 8.5-41.6 HD2 LYS 73 - HB3 ARG 66 far 0 89 0 - 9.4-16.4 HG3 ARG 84 - HB3 ARG 66 far 0 70 0 - 9.4-37.9 HB3 LEU 51 - HB3 ARG 66 far 0 80 0 - 9.5-13.8 HG LEU 86 - HB3 ARG 66 far 0 79 0 - 9.5-43.0 HG3 ARG 27 - HB3 ARG 70 far 0 83 0 - 9.7-15.7 HG2 ARG 27 - HB3 ARG 66 far 0 70 0 - 9.7-14.6 HB3 LEU 62 - HB3 ARG 70 far 0 73 0 - 9.9-13.4 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 2.3-3.8 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.4-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 100 100 2.0-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 poor 20 99 20 - 2.4-8.7 HD2 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.9-8.7 HD3 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.6-9.6 HD3 ARG 71 - HB3 ARG 70 poor 15 99 25 61 3.6-8.3 5.8/305=12, 3.0/2861=9...(18) HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: * HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.4-4.0 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.0-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 poor 20 100 20 - 2.4-8.7 HD3 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.6-9.6 HD2 ARG 70 - HB3 ARG 66 poor 18 89 20 - 3.9-8.7 HD3 ARG 71 - HB3 ARG 70 poor 15 100 25 61 3.6-8.3 5.8/305=12, 3.0/2861=9...(18) HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 5.5-10.5 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 5.6-9.5 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 5.7-10.7 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.0-9.8 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (7.95, 1.71, 27.11 ppm; 4.21 A): 2 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, 2.9/2844=69...(20) H ASP 67 + HG2 ARG 70 OK 30 78 45 86 4.3-7.4 3.0/5049=55, ~5050=23...(11) H VAL 76 - HG2 ARG 70 far 10 99 10 - 4.9-13.9 Violated in 0 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (4.00, 1.71, 27.11 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.9-3.8 2844=100, 2873/1.8=71...(20) HA ARG 66 - HG2 ARG 70 poor 9 71 35 38 3.7-8.0 767/770=15, 3.6/2864=11...(7) 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 6 assignments used, quality = 1.00: * HB2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 66 - HG2 ARG 70 far 9 95 10 - 4.5-9.0 HB2 GLN 79 - HG2 ARG 70 far 0 96 0 - 7.2-18.7 HB2 LEU 64 - HG2 ARG 70 far 0 89 0 - 9.4-12.4 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.7-12.6 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 6 assignments used, quality = 1.00: HB2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 2.9=100 * HB3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 66 - HG2 ARG 70 far 9 95 10 - 4.5-9.0 HB2 GLN 79 - HG2 ARG 70 far 0 96 0 - 7.2-18.7 HB2 LEU 64 - HG2 ARG 70 far 0 89 0 - 9.4-12.4 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.7-12.6 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): 2 out of 11 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 OK 30 99 60 50 2.0-7.2 5.0/307=12, 3.8/5395=8...(13) HG3 ARG 84 - HG2 ARG 70 far 0 85 0 - 6.3-33.3 HG2 ARG 84 - HG2 ARG 70 far 0 85 0 - 6.6-32.1 HB2 LEU 86 - HG2 ARG 70 far 0 100 0 - 6.8-37.8 HD3 LYS 73 - HG2 ARG 70 far 0 100 0 - 7.0-11.5 HD2 LYS 73 - HG2 ARG 70 far 0 100 0 - 7.1-11.4 HG3 ARG 27 - HG2 ARG 70 far 0 83 0 - 9.0-14.5 HG LEU 86 - HG2 ARG 70 far 0 93 0 - 9.4-39.1 HB3 LEU 62 - HG2 ARG 70 far 0 73 0 - 9.4-13.5 HG2 ARG 27 - HG2 ARG 70 far 0 85 0 - 9.6-15.1 Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (3.21, 1.71, 27.11 ppm; 3.48 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 71 + HG2 ARG 70 OK 25 99 40 62 2.4-8.4 5.8/307=19, 3.0/2869=16...(19) HD2 ARG 66 - HG2 ARG 70 far 4 89 5 - 4.8-10.8 HD3 ARG 66 - HG2 ARG 70 far 0 85 0 - 6.0-10.5 Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (3.20, 1.71, 27.11 ppm; 3.48 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 71 + HG2 ARG 70 OK 25 100 40 62 2.4-8.4 5.8/307=19, 3.0/2869=16...(19) HD2 ARG 66 - HG2 ARG 70 far 5 92 5 - 4.8-10.8 HD3 ARG 66 - HG2 ARG 70 far 0 89 0 - 6.0-10.5 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (7.95, 1.61, 27.11 ppm; 4.51 A): 2 out of 26 assignments used, quality = 1.00: * H ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.0-4.6 770/1.8=89, 4.9=77...(20) H ASP 67 + HG3 ARG 70 OK 32 78 45 91 4.3-8.5 ~5049=45, ~5052=41...(10) H VAL 76 - HG3 ARG 70 far 15 99 15 - 4.2-12.4 H LEU 29 - HG2 ARG 26 poor 13 58 50 45 5.4-7.4 4184/3.7=26, 549/3543=10...(5) H LEU 29 - HG2 ARG 27 poor 10 73 30 47 5.0-7.3 76/72=25, 4184/3.8=20...(5) H LEU 29 - HG3 ARG 27 poor 10 71 30 47 4.5-7.9 76/72=25, 4184/3.8=20...(5) H LEU 29 - HG LEU 86 far 4 89 5 - 5.1-48.5 H LYS 32 - HG3 ARG 27 far 0 64 0 - 6.7-10.4 H LYS 32 - HG2 ARG 27 far 0 66 0 - 7.3-9.9 H ARG 70 - HG2 ARG 84 far 0 73 0 - 7.5-31.7 H ARG 70 - HG3 ARG 84 far 0 73 0 - 7.6-32.9 H ASP 67 - HG2 ARG 27 far 0 50 0 - 7.6-11.8 H ALA 63 - HG2 ARG 27 far 0 44 0 - 7.8-13.0 H ASP 67 - HG3 ARG 27 far 0 48 0 - 7.9-11.2 H LYS 32 - HG3 ARG 17 far 0 93 0 - 8.0-27.3 H LYS 32 - HG2 ARG 17 far 0 94 0 - 8.0-27.1 H LEU 29 - HG2 ARG 17 far 0 99 0 - 8.1-23.6 H LEU 29 - HG3 ARG 17 far 0 99 0 - 8.2-23.6 H ALA 63 - HG LEU 86 far 0 57 0 - 9.0-47.8 H LYS 32 - HG LEU 86 far 0 81 0 - 9.1-50.9 H LYS 32 - HG2 ARG 26 far 0 52 0 - 9.1-11.5 H ALA 63 - HG3 ARG 27 far 0 43 0 - 9.3-12.6 H ARG 70 - HG3 ARG 27 far 0 71 0 - 9.5-13.4 H ASP 67 - HG LEU 86 far 0 63 0 - 9.6-43.5 H ALA 63 - HG3 ARG 70 far 0 71 0 - 9.8-14.2 H ASP 67 - HG3 ARG 84 far 0 50 0 - 9.9-37.8 Violated in 2 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (4.00, 1.61, 27.11 ppm; 3.88 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.5-3.9 4.0=94, 2844/1.8=76...(20) HA ARG 66 - HG3 ARG 70 poor 7 71 35 28 4.6-8.8 767/4.9=11, 3.6/2872=8...(6) HB2 SER 22 - HG3 ARG 84 far 3 69 5 - 4.9-36.7 HB2 SER 22 - HG2 ARG 26 far 0 55 0 - 5.5-8.4 HB2 SER 22 - HG2 ARG 84 far 0 69 0 - 6.1-36.1 HA LYS 32 - HG2 ARG 17 far 0 69 0 - 6.2-28.9 HB2 SER 22 - HG2 ARG 27 far 0 69 0 - 6.3-10.6 HA ARG 70 - HG2 ARG 84 far 0 73 0 - 6.4-29.3 HB2 SER 22 - HG3 ARG 27 far 0 67 0 - 6.6-10.7 HA LYS 32 - HG3 ARG 17 far 0 68 0 - 6.9-29.2 HA ARG 70 - HG3 ARG 84 far 0 73 0 - 7.1-30.5 HB2 SER 22 - HG LEU 86 far 0 84 0 - 8.8-44.7 HA LYS 32 - HG3 ARG 27 far 0 43 0 - 8.8-12.5 HA LYS 32 - HG2 ARG 27 far 0 44 0 - 9.3-12.0 HA LYS 32 - HG LEU 86 far 0 57 0 - 9.7-50.8 HB2 SER 22 - HG3 ARG 17 far 0 96 0 - 9.7-19.4 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 24 assignments used, quality = 1.00: * HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 64 - HG2 ARG 27 far 6 59 10 - 3.8-8.5 HB2 MET 31 - HG2 ARG 27 far 6 55 10 - 4.1-8.4 HB3 ARG 66 - HG3 ARG 70 far 5 95 5 - 4.4-9.7 HB2 ARG 70 - HG2 ARG 84 far 4 73 5 - 4.5-32.1 HB2 ARG 70 - HG3 ARG 84 far 4 73 5 - 4.9-33.3 HB2 LEU 64 - HG3 ARG 27 far 3 57 5 - 4.8-8.2 HB2 MET 31 - HG3 ARG 27 far 3 53 5 - 4.3-8.8 HB3 ARG 70 - HG2 ARG 84 far 0 73 0 - 5.1-30.8 HB3 ARG 70 - HG3 ARG 84 far 0 73 0 - 5.3-32.0 HB2 GLN 79 - HG3 ARG 70 far 0 96 0 - 7.2-18.4 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 7.7-16.3 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 8.4-12.2 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 8.8-15.8 HB2 MET 31 - HG LEU 86 far 0 70 0 - 9.0-48.8 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.3-12.4 HB2 LEU 64 - HG2 ARG 26 far 0 46 0 - 9.4-14.1 HB3 ARG 66 - HG3 ARG 84 far 0 64 0 - 9.4-37.9 HB2 GLN 79 - HG LEU 86 far 0 81 0 - 9.4-24.7 HB2 LEU 64 - HG3 ARG 70 far 0 89 0 - 9.5-13.6 HB3 ARG 66 - HG LEU 86 far 0 80 0 - 9.5-43.0 HB3 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.7-15.7 HB3 ARG 66 - HG2 ARG 27 far 0 64 0 - 9.7-14.6 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 24 assignments used, quality = 1.00: HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 64 - HG2 ARG 27 far 6 59 10 - 3.8-8.5 HB2 MET 31 - HG2 ARG 27 far 6 55 10 - 4.1-8.4 HB3 ARG 66 - HG3 ARG 70 far 5 95 5 - 4.4-9.7 HB2 ARG 70 - HG2 ARG 84 far 4 73 5 - 4.5-32.1 HB2 ARG 70 - HG3 ARG 84 far 4 73 5 - 4.9-33.3 HB2 LEU 64 - HG3 ARG 27 far 3 57 5 - 4.8-8.2 HB2 MET 31 - HG3 ARG 27 far 3 53 5 - 4.3-8.8 HB3 ARG 70 - HG2 ARG 84 far 0 73 0 - 5.1-30.8 HB3 ARG 70 - HG3 ARG 84 far 0 73 0 - 5.3-32.0 HB2 GLN 79 - HG3 ARG 70 far 0 96 0 - 7.2-18.4 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 7.7-16.3 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 8.4-12.2 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 8.8-15.8 HB2 MET 31 - HG LEU 86 far 0 70 0 - 9.0-48.8 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.3-12.4 HB2 LEU 64 - HG2 ARG 26 far 0 46 0 - 9.4-14.1 HB3 ARG 66 - HG3 ARG 84 far 0 64 0 - 9.4-37.9 HB2 GLN 79 - HG LEU 86 far 0 81 0 - 9.4-24.7 HB2 LEU 64 - HG3 ARG 70 far 0 89 0 - 9.5-13.6 HB3 ARG 66 - HG LEU 86 far 0 80 0 - 9.5-43.0 HB3 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.7-15.7 HB3 ARG 66 - HG2 ARG 27 far 0 64 0 - 9.7-14.6 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 44 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 86 2.2-3.0 3.0=54, 3379/1.8=15...(27) HB2 ARG 84 + HG2 ARG 84 OK 49 57 100 86 2.3-3.0 3.0=54, 3379/1.8=15...(27) HB3 LEU 64 - HG2 ARG 27 far 10 67 15 - 2.9-7.4 HB2 ARG 82 - HG2 ARG 84 far 9 63 15 - 3.1-8.8 HB3 LEU 64 - HG3 ARG 27 far 6 65 10 - 3.7-7.0 HB3 LYS 83 - HG3 ARG 84 far 3 69 5 - 3.2-7.3 HB3 LYS 83 - HG2 ARG 84 far 3 69 5 - 3.4-7.1 HB2 ARG 82 - HG3 ARG 84 far 3 63 5 - 3.2-8.9 HB3 LYS 85 - HG3 ARG 84 far 0 63 0 - 4.1-8.0 HB2 LEU 29 - HG LEU 86 far 0 85 0 - 4.2-50.4 HB2 LEU 29 - HG2 ARG 26 far 0 55 0 - 4.3-8.3 HB2 ARG 84 - HG2 ARG 26 far 0 45 0 - 4.8-42.5 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-10.9 HG3 ARG 66 - HG3 ARG 70 far 0 95 0 - 5.4-11.1 HB3 LYS 85 - HG2 ARG 84 far 0 63 0 - 5.4-7.5 HB3 LYS 85 - HG LEU 86 far 0 78 0 - 5.5-8.6 HB2 LEU 29 - HG3 ARG 17 far 0 97 0 - 5.6-24.9 HG2 ARG 70 - HG3 ARG 84 far 0 73 0 - 6.3-33.3 HB2 LEU 29 - HG2 ARG 17 far 0 97 0 - 6.6-25.0 HG2 ARG 70 - HG2 ARG 84 far 0 73 0 - 6.6-32.1 HB2 LEU 29 - HG3 ARG 27 far 0 68 0 - 6.7-10.4 HB2 LEU 29 - HG2 ARG 27 far 0 70 0 - 6.8-9.9 HB2 ARG 82 - HG LEU 86 far 0 78 0 - 6.8-15.7 HB3 LYS 83 - HG3 ARG 70 far 0 98 0 - 7.4-27.8 HB3 LYS 83 - HG LEU 86 far 0 84 0 - 7.6-14.6 HB3 LEU 64 - HG2 ARG 26 far 0 53 0 - 8.1-13.3 HB2 ARG 82 - HG3 ARG 70 far 0 93 0 - 8.1-27.8 HB2 ARG 84 - HG3 ARG 70 far 0 87 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 50 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 93 0 - 8.4-29.8 HB3 LYS 13 - HG2 ARG 26 far 0 31 0 - 8.6-28.3 HB3 LYS 13 - HG3 ARG 17 far 0 63 0 - 8.8-16.3 HG2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.0-14.5 HB3 LEU 64 - HG3 ARG 70 far 0 97 0 - 9.0-13.4 HG3 ARG 66 - HG3 ARG 27 far 0 62 0 - 9.4-14.3 HG2 ARG 70 - HG LEU 86 far 0 89 0 - 9.4-39.1 HB2 ARG 82 - HG2 ARG 26 far 0 50 0 - 9.4-39.8 HG2 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.6-15.1 HG3 ARG 66 - HG LEU 86 far 0 80 0 - 9.6-43.1 HB3 LYS 13 - HG2 ARG 27 far 0 40 0 - 9.8-31.1 HB3 LYS 13 - HG2 ARG 17 far 0 64 0 - 9.9-15.5 HB3 LYS 13 - HG3 ARG 27 far 0 39 0 - 10.0-32.1 HB2 LEU 29 - HG2 ARG 84 far 0 70 0 - 10.0-42.9 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 18 assignments used, quality = 1.00: * HD2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 71 - HG3 ARG 70 poor 13 99 30 43 3.6-9.3 5.8/308=8, 3.0/2932=8...(14) HD3 ARG 70 - HG3 ARG 84 far 4 73 5 - 3.5-34.2 HD3 ARG 70 - HG2 ARG 84 far 4 73 5 - 4.0-32.9 HD3 ARG 71 - HG3 ARG 27 far 3 69 5 - 4.0-14.2 HD2 ARG 70 - HG3 ARG 84 far 0 73 0 - 4.8-34.2 HD2 ARG 66 - HG3 ARG 70 far 0 89 0 - 5.2-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 71 0 - 5.3-13.8 HD2 ARG 70 - HG2 ARG 84 far 0 73 0 - 5.6-32.9 HD3 ARG 66 - HG3 ARG 70 far 0 85 0 - 5.7-10.6 HD2 ARG 70 - HG LEU 86 far 0 89 0 - 7.4-39.7 HD3 ARG 71 - HG2 ARG 26 far 0 57 0 - 8.2-20.5 HD3 ARG 71 - HG2 ARG 17 far 0 98 0 - 8.3-29.5 HD3 ARG 70 - HG LEU 86 far 0 89 0 - 8.3-40.2 HD3 ARG 71 - HG3 ARG 17 far 0 98 0 - 9.1-30.1 HD2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.6-17.0 HD3 ARG 66 - HG2 ARG 84 far 0 55 0 - 10.0-35.1 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (3.20, 1.61, 27.11 ppm; 3.22 A): 3 out of 26 assignments used, quality = 1.00: * HD3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD3 ARG 71 - HG3 ARG 70 poor 13 100 30 43 3.6-9.3 5.8/308=8, 3.0/2932=8...(14) HD3 ARG 26 - HG2 ARG 27 far 4 37 10 - 3.3-10.6 HD3 ARG 70 - HG3 ARG 84 far 4 73 5 - 3.5-34.2 HD3 ARG 70 - HG2 ARG 84 far 4 73 5 - 4.0-32.9 HD3 ARG 71 - HG3 ARG 27 far 4 70 5 - 4.0-14.2 HD3 ARG 26 - HG3 ARG 27 far 2 35 5 - 3.4-10.3 HD2 ARG 70 - HG3 ARG 84 far 0 73 0 - 4.8-34.2 HD2 ARG 66 - HG3 ARG 70 far 0 92 0 - 5.2-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 72 0 - 5.3-13.8 HD2 ARG 70 - HG2 ARG 84 far 0 73 0 - 5.6-32.9 HD3 ARG 66 - HG3 ARG 70 far 0 89 0 - 5.7-10.6 HD3 ARG 26 - HG3 ARG 84 far 0 37 0 - 7.4-42.6 HD2 ARG 70 - HG LEU 86 far 0 89 0 - 7.4-39.7 HD3 ARG 26 - HG2 ARG 84 far 0 37 0 - 7.6-41.9 HD3 ARG 71 - HG2 ARG 26 far 0 58 0 - 8.2-20.5 HD3 ARG 71 - HG2 ARG 17 far 0 99 0 - 8.3-29.5 HD3 ARG 70 - HG LEU 86 far 0 89 0 - 8.3-40.2 HD3 ARG 26 - HG LEU 86 far 0 47 0 - 8.4-50.6 HD3 ARG 26 - HG3 ARG 17 far 0 58 0 - 9.1-22.3 HD3 ARG 71 - HG3 ARG 17 far 0 99 0 - 9.1-30.1 HD3 ARG 26 - HG2 ARG 17 far 0 58 0 - 9.1-22.9 HD2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.6-17.0 HD3 ARG 66 - HG2 ARG 84 far 0 59 0 - 10.0-35.1 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 2.4-5.5 2844/3.0=79, 2873/3.0=73...(24) HA ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.6-5.5 2844/3.0=79, 2873/3.0=73...(24) HA ARG 66 + HD2 ARG 66 OK 57 57 100 100 2.3-5.1 5.2=71, 2679/3.0=50...(49) HA ARG 66 + HD3 ARG 66 OK 53 53 100 100 3.1-5.5 5.2=71, 2679/3.0=50...(47) HA ARG 66 - HD2 ARG 70 poor 18 71 25 - 4.5-8.6 HA ARG 70 - HD3 ARG 71 poor 15 58 25 - 4.9-8.2 HA ARG 66 - HD3 ARG 70 poor 7 71 30 32 4.7-9.1 767/6.3=10, 2865/3.0=7...(7) HB2 SER 22 - HD3 ARG 71 far 3 55 5 - 5.2-16.5 HA ARG 70 - HD2 ARG 66 far 0 89 0 - 7.2-11.0 HA ARG 70 - HD3 ARG 66 far 0 85 0 - 7.5-10.6 HA PHE 48 - HD3 ARG 66 far 0 49 0 - 7.7-13.7 HA ARG 66 - HD3 ARG 71 far 0 34 0 - 7.9-10.9 HA PHE 48 - HD2 ARG 66 far 0 52 0 - 8.4-12.5 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 28 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 2.3-3.8 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.4-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 100 100 2.0-4.2 3.4=100 HB3 ARG 66 - HD3 ARG 70 far 14 94 15 - 3.6-9.6 HB2 ARG 70 - HD3 ARG 71 poor 12 58 20 - 2.4-8.7 HB3 ARG 70 - HD3 ARG 71 poor 12 58 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 9 95 10 - 3.9-8.7 HB2 GLN 79 - HD2 ARG 66 far 4 81 5 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 95 0 - 5.0-19.6 HB2 GLN 79 - HD2 ARG 70 far 0 96 0 - 5.2-19.6 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 77 0 - 6.1-24.9 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.2-10.0 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.2-10.2 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 8.1-14.2 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 8.2-13.4 HG LEU 57 - HD2 ARG 66 far 0 89 0 - 8.9-12.6 HB2 LEU 64 - HD3 ARG 70 far 0 88 0 - 9.2-13.8 HG LEU 57 - HD3 ARG 66 far 0 85 0 - 9.4-13.2 HB2 MET 31 - HD3 ARG 71 far 0 43 0 - 9.7-17.7 HB2 GLN 79 - HD3 ARG 71 far 0 52 0 - 10.0-22.2 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 28 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 2.3-3.8 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.4-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 100 100 2.0-4.2 3.4=100 HB3 ARG 66 - HD3 ARG 70 far 14 94 15 - 3.6-9.6 HB2 ARG 70 - HD3 ARG 71 poor 12 58 20 - 2.4-8.7 HB3 ARG 70 - HD3 ARG 71 poor 12 58 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 9 95 10 - 3.9-8.7 HB2 GLN 79 - HD2 ARG 66 far 4 81 5 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 95 0 - 5.0-19.6 HB2 GLN 79 - HD2 ARG 70 far 0 96 0 - 5.2-19.6 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 77 0 - 6.1-24.9 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.2-10.0 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.2-10.2 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 8.1-14.2 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 8.2-13.4 HG LEU 57 - HD2 ARG 66 far 0 89 0 - 8.9-12.6 HB2 LEU 64 - HD3 ARG 70 far 0 88 0 - 9.2-13.8 HG LEU 57 - HD3 ARG 66 far 0 85 0 - 9.4-13.2 HB2 MET 31 - HD3 ARG 71 far 0 43 0 - 9.7-17.7 HB2 GLN 79 - HD3 ARG 71 far 0 52 0 - 10.0-22.2 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 30 assignments used, quality = 1.00: * HG2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG2 ARG 70 - HD3 ARG 71 poor 13 58 35 61 2.4-8.4 307/5.8=17, 2869/3.0=15...(17) HG2 ARG 70 - HD2 ARG 66 far 4 89 5 - 4.8-10.8 HG3 ARG 66 - HD2 ARG 70 far 0 95 0 - 5.5-10.3 HG3 ARG 66 - HD3 ARG 70 far 0 94 0 - 5.7-10.5 HB2 ARG 84 - HD3 ARG 70 far 0 87 0 - 5.9-34.2 HG2 ARG 70 - HD3 ARG 66 far 0 85 0 - 6.0-10.5 HB2 ARG 82 - HD3 ARG 66 far 0 74 0 - 6.1-33.8 HB3 LYS 83 - HD3 ARG 70 far 0 98 0 - 6.6-29.9 HB2 ARG 82 - HD2 ARG 70 far 0 93 0 - 6.6-29.3 HB3 LYS 85 - HD3 ARG 70 far 0 93 0 - 6.7-32.5 HB3 LYS 83 - HD2 ARG 70 far 0 98 0 - 6.8-29.8 HB3 LYS 85 - HD2 ARG 70 far 0 93 0 - 6.9-32.1 HB2 ARG 82 - HD3 ARG 70 far 0 93 0 - 6.9-29.3 HG3 ARG 66 - HD3 ARG 71 far 0 51 0 - 7.1-13.2 HB2 ARG 84 - HD2 ARG 70 far 0 87 0 - 7.1-34.1 HB3 LEU 64 - HD3 ARG 71 far 0 53 0 - 7.3-12.5 HB3 LEU 64 - HD2 ARG 66 far 0 82 0 - 7.5-10.9 HB3 LEU 64 - HD3 ARG 66 far 0 78 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 78 0 - 7.7-33.0 HB3 LYS 85 - HD3 ARG 71 far 0 50 0 - 8.0-35.7 HB3 LYS 83 - HD3 ARG 71 far 0 55 0 - 8.4-32.5 HB3 LEU 64 - HD3 ARG 70 far 0 96 0 - 8.8-13.6 HB3 LYS 83 - HD2 ARG 66 far 0 84 0 - 9.4-36.3 HB3 LEU 64 - HD2 ARG 70 far 0 97 0 - 9.5-14.2 HB2 ARG 84 - HD2 ARG 66 far 0 71 0 - 9.6-37.0 HB2 ARG 82 - HD3 ARG 71 far 0 50 0 - 9.9-32.2 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (1.61, 3.21, 43.49 ppm; 3.16 A): 4 out of 40 assignments used, quality = 1.00: * HG3 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 56 56 100 100 2.2-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 70 OK 25 99 40 63 2.9-8.7 2869/3.0=14, 2927/1.8=12...(16) HG2 ARG 71 - HD2 ARG 70 poor 19 99 30 63 3.2-8.2 2869/3.0=14, 2927=13...(16) HG3 ARG 70 - HD3 ARG 71 poor 17 58 30 - 3.6-9.3 HB3 LEU 62 - HD3 ARG 66 poor 17 56 30 - 4.2-7.2 HB3 LEU 62 - HD2 ARG 66 poor 15 59 25 - 3.9-7.5 HB2 LEU 86 - HD2 ARG 70 far 5 100 5 - 4.6-38.6 HG3 ARG 84 - HD3 ARG 70 far 4 85 5 - 3.5-34.2 HG2 ARG 84 - HD3 ARG 70 far 4 85 5 - 4.0-32.9 HG3 ARG 27 - HD3 ARG 71 far 2 42 5 - 4.0-14.2 HG3 ARG 84 - HD2 ARG 70 far 0 85 0 - 4.8-34.2 HG3 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.2-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 43 0 - 5.3-13.8 HB2 LEU 86 - HD3 ARG 70 far 0 100 0 - 5.3-39.0 HG2 ARG 84 - HD2 ARG 70 far 0 85 0 - 5.6-32.9 HG3 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.7-10.6 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.6-12.1 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.7-11.7 HG LEU 86 - HD2 ARG 70 far 0 93 0 - 7.4-39.7 HG2 ARG 71 - HD3 ARG 66 far 0 82 0 - 7.6-13.7 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 7.7-11.8 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 7.8-11.9 HG2 ARG 26 - HD3 ARG 71 far 0 55 0 - 8.2-20.5 HB3 LEU 51 - HD3 ARG 66 far 0 76 0 - 8.3-14.2 HG2 ARG 17 - HD3 ARG 71 far 0 57 0 - 8.3-29.5 HG2 ARG 71 - HD2 ARG 66 far 0 86 0 - 8.3-13.7 HG LEU 86 - HD3 ARG 70 far 0 93 0 - 8.3-40.2 HB3 LEU 62 - HD2 ARG 70 far 0 73 0 - 8.5-14.0 HD2 LYS 73 - HD3 ARG 71 far 0 58 0 - 8.5-13.1 HD3 LYS 73 - HD3 ARG 71 far 0 58 0 - 8.8-13.1 HB3 LEU 62 - HD3 ARG 70 far 0 73 0 - 8.9-14.4 HG3 ARG 17 - HD3 ARG 71 far 0 56 0 - 9.1-30.1 HB3 LEU 51 - HD2 ARG 66 far 0 80 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 85 0 - 9.5-16.7 HG3 ARG 27 - HD2 ARG 70 far 0 83 0 - 9.6-17.0 HD3 LYS 73 - HD2 ARG 66 far 0 88 0 - 9.7-16.5 HG2 ARG 84 - HD3 ARG 66 far 0 66 0 - 10.0-35.1 HD2 LYS 73 - HD3 ARG 66 far 0 85 0 - 10.0-16.7 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 + HD3 ARG 70 OK 100 100 100 100 2.6-5.5 2844/3.0=79, 2873/3.0=73...(24) HA ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.4-5.5 2844/3.0=79, 2873/3.0=73...(24) HA ARG 66 + HD2 ARG 66 OK 60 60 100 100 2.3-5.1 5.2=71, 2679/3.0=50...(49) HA ARG 66 + HD3 ARG 66 OK 57 57 100 100 3.1-5.5 5.2=71, 2679/3.0=50...(47) HA ARG 66 - HD2 ARG 70 poor 18 71 25 - 4.5-8.6 HA ARG 70 - HD3 ARG 71 poor 15 59 25 - 4.9-8.2 HA ARG 66 - HD3 ARG 70 poor 7 71 30 33 4.7-9.1 767/6.3=10, 2865/3.0=7...(7) HB2 SER 22 - HD3 ARG 71 far 3 55 5 - 5.2-16.5 HB2 SER 22 - HD3 ARG 26 far 1 27 5 - 5.2-10.5 HA ARG 70 - HD2 ARG 66 far 0 92 0 - 7.2-11.0 HA ARG 70 - HD3 ARG 66 far 0 89 0 - 7.5-10.6 HA PHE 48 - HD3 ARG 66 far 0 52 0 - 7.7-13.7 HA ARG 66 - HD3 ARG 71 far 0 35 0 - 7.9-10.9 HA PHE 48 - HD2 ARG 66 far 0 55 0 - 8.4-12.5 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 2.2-3.8 3.5=100 * HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.4-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 100 100 2.0-4.2 3.4=100 HB3 ARG 66 - HD3 ARG 70 far 14 95 15 - 3.6-9.6 HB2 ARG 70 - HD3 ARG 71 poor 12 59 20 - 2.4-8.7 HB3 ARG 70 - HD3 ARG 71 poor 12 59 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 9 94 10 - 3.9-8.7 HB2 GLN 79 - HD2 ARG 66 far 4 84 5 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 96 0 - 5.0-19.6 HB2 GLN 79 - HD2 ARG 70 far 0 95 0 - 5.2-19.6 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 81 0 - 6.1-24.9 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.2-10.0 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.2-10.2 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 8.1-14.2 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 8.2-13.4 HB2 LEU 64 - HD3 ARG 26 far 0 22 0 - 8.8-15.5 HB2 MET 31 - HD3 ARG 26 far 0 21 0 - 8.9-12.9 HG LEU 57 - HD2 ARG 66 far 0 92 0 - 8.9-12.6 HB2 LEU 64 - HD3 ARG 70 far 0 89 0 - 9.2-13.8 HG LEU 57 - HD3 ARG 66 far 0 89 0 - 9.4-13.2 HB2 MET 31 - HD3 ARG 71 far 0 44 0 - 9.7-17.7 HB2 GLN 79 - HD3 ARG 71 far 0 53 0 - 10.0-22.2 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 2.2-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-4.2 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 2.3-3.8 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.4-4.0 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 100 100 2.0-4.2 3.4=100 HB3 ARG 66 - HD3 ARG 70 far 14 95 15 - 3.6-9.6 HB2 ARG 70 - HD3 ARG 71 poor 12 59 20 - 2.4-8.7 HB3 ARG 70 - HD3 ARG 71 poor 12 59 20 - 3.6-8.3 HB3 ARG 66 - HD2 ARG 70 far 9 94 10 - 3.9-8.7 HB2 GLN 79 - HD2 ARG 66 far 4 84 5 - 4.9-24.4 HB2 GLN 79 - HD3 ARG 70 far 0 96 0 - 5.0-19.6 HB2 GLN 79 - HD2 ARG 70 far 0 95 0 - 5.2-19.6 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.5-10.5 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.6-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.7-10.7 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 6.0-9.8 HB2 GLN 79 - HD3 ARG 66 far 0 81 0 - 6.1-24.9 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.2-10.0 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.2-10.2 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 8.1-11.5 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 8.1-14.2 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 8.2-13.4 HB2 LEU 64 - HD3 ARG 26 far 0 22 0 - 8.8-15.5 HB2 MET 31 - HD3 ARG 26 far 0 21 0 - 8.9-12.9 HG LEU 57 - HD2 ARG 66 far 0 92 0 - 8.9-12.6 HB2 LEU 64 - HD3 ARG 70 far 0 89 0 - 9.2-13.8 HG LEU 57 - HD3 ARG 66 far 0 89 0 - 9.4-13.2 HB2 MET 31 - HD3 ARG 71 far 0 44 0 - 9.7-17.7 HB2 GLN 79 - HD3 ARG 71 far 0 53 0 - 10.0-22.2 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 34 assignments used, quality = 1.00: * HG2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG2 ARG 70 - HD3 ARG 71 poor 13 59 35 61 2.4-8.4 307/5.8=17, 2869/3.0=15...(17) HG2 ARG 70 - HD2 ARG 66 far 5 92 5 - 4.8-10.8 HB2 LEU 29 - HD3 ARG 26 far 3 27 10 - 4.7-9.0 HG3 ARG 66 - HD2 ARG 70 far 0 94 0 - 5.5-10.3 HG3 ARG 66 - HD3 ARG 70 far 0 95 0 - 5.7-10.5 HB2 ARG 84 - HD3 ARG 70 far 0 87 0 - 5.9-34.2 HG2 ARG 70 - HD3 ARG 66 far 0 89 0 - 6.0-10.5 HB2 ARG 84 - HD3 ARG 26 far 0 22 0 - 6.0-42.7 HB2 ARG 82 - HD3 ARG 66 far 0 78 0 - 6.1-33.8 HB3 LYS 83 - HD3 ARG 70 far 0 98 0 - 6.6-29.9 HB2 ARG 82 - HD2 ARG 70 far 0 93 0 - 6.6-29.3 HB3 LYS 85 - HD3 ARG 70 far 0 93 0 - 6.7-32.5 HB3 LYS 83 - HD2 ARG 70 far 0 98 0 - 6.8-29.8 HB3 LYS 85 - HD2 ARG 70 far 0 93 0 - 6.9-32.1 HB2 ARG 82 - HD3 ARG 70 far 0 93 0 - 6.9-29.3 HG3 ARG 66 - HD3 ARG 71 far 0 52 0 - 7.1-13.2 HB2 ARG 84 - HD2 ARG 70 far 0 87 0 - 7.1-34.1 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 7.3-12.5 HB3 LEU 64 - HD2 ARG 66 far 0 86 0 - 7.5-10.9 HB3 LEU 64 - HD3 ARG 66 far 0 82 0 - 7.6-10.7 HB2 ARG 82 - HD2 ARG 66 far 0 82 0 - 7.7-33.0 HB3 LEU 64 - HD3 ARG 26 far 0 26 0 - 7.9-14.3 HB3 LYS 85 - HD3 ARG 71 far 0 50 0 - 8.0-35.7 HB3 LYS 83 - HD3 ARG 71 far 0 55 0 - 8.4-32.5 HB3 LEU 64 - HD3 ARG 70 far 0 97 0 - 8.8-13.6 HB2 ARG 82 - HD3 ARG 26 far 0 24 0 - 9.1-40.0 HB3 LYS 83 - HD2 ARG 66 far 0 88 0 - 9.4-36.3 HB3 LEU 64 - HD2 ARG 70 far 0 96 0 - 9.5-14.2 HB2 ARG 84 - HD2 ARG 66 far 0 75 0 - 9.6-37.0 HB2 ARG 82 - HD3 ARG 71 far 0 50 0 - 9.9-32.2 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (1.61, 3.20, 43.49 ppm; 3.16 A): 5 out of 49 assignments used, quality = 1.00: * HG3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 57 57 100 100 2.2-3.0 3.0=100 HG2 ARG 26 + HD3 ARG 26 OK 27 27 100 100 2.3-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 70 OK 25 99 40 63 2.9-8.7 2869/3.0=14, 2927/1.8=12...(16) HG2 ARG 71 - HD2 ARG 70 poor 19 99 30 63 3.2-8.2 2869/3.0=14, 2927=13...(16) HG3 ARG 70 - HD3 ARG 71 poor 18 59 30 - 3.6-9.3 HB3 LEU 62 - HD3 ARG 66 poor 18 59 30 - 4.2-7.2 HB3 LEU 62 - HD2 ARG 66 poor 15 62 25 - 3.9-7.5 HB2 LEU 86 - HD2 ARG 70 far 5 100 5 - 4.6-38.6 HG3 ARG 84 - HD3 ARG 70 far 4 85 5 - 3.5-34.2 HG2 ARG 84 - HD3 ARG 70 far 4 85 5 - 4.0-32.9 HG3 ARG 27 - HD3 ARG 71 far 2 42 5 - 4.0-14.2 HG2 ARG 27 - HD3 ARG 26 far 2 21 10 - 3.3-10.6 HG3 ARG 27 - HD3 ARG 26 far 1 20 5 - 3.4-10.3 HG3 ARG 84 - HD2 ARG 70 far 0 85 0 - 4.8-34.2 HG3 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.2-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 44 0 - 5.3-13.8 HB2 LEU 86 - HD3 ARG 70 far 0 100 0 - 5.3-39.0 HG2 ARG 84 - HD2 ARG 70 far 0 85 0 - 5.6-32.9 HG3 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.7-10.6 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.6-12.1 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 6.7-11.7 HG3 ARG 84 - HD3 ARG 26 far 0 21 0 - 7.4-42.6 HG LEU 86 - HD2 ARG 70 far 0 93 0 - 7.4-39.7 HG2 ARG 84 - HD3 ARG 26 far 0 21 0 - 7.6-41.9 HG2 ARG 71 - HD3 ARG 66 far 0 86 0 - 7.6-13.7 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 7.7-11.8 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 7.8-11.9 HG2 ARG 26 - HD3 ARG 71 far 0 55 0 - 8.2-20.5 HB3 LEU 51 - HD3 ARG 66 far 0 80 0 - 8.3-14.2 HG2 ARG 17 - HD3 ARG 71 far 0 57 0 - 8.3-29.5 HG2 ARG 71 - HD2 ARG 66 far 0 89 0 - 8.3-13.7 HG LEU 86 - HD3 ARG 70 far 0 93 0 - 8.3-40.2 HG LEU 86 - HD3 ARG 26 far 0 24 0 - 8.4-50.6 HB3 LEU 62 - HD2 ARG 70 far 0 73 0 - 8.5-14.0 HD2 LYS 73 - HD3 ARG 71 far 0 59 0 - 8.5-13.1 HB2 LEU 86 - HD3 ARG 26 far 0 29 0 - 8.7-48.7 HD3 LYS 73 - HD3 ARG 71 far 0 59 0 - 8.8-13.1 HB3 LEU 62 - HD3 ARG 70 far 0 73 0 - 8.9-14.4 HG3 ARG 17 - HD3 ARG 26 far 0 28 0 - 9.1-22.3 HG3 ARG 17 - HD3 ARG 71 far 0 57 0 - 9.1-30.1 HG2 ARG 17 - HD3 ARG 26 far 0 28 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 83 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 88 0 - 9.5-16.7 HG3 ARG 27 - HD2 ARG 70 far 0 83 0 - 9.6-17.0 HD3 LYS 73 - HD2 ARG 66 far 0 92 0 - 9.7-16.5 HG2 ARG 84 - HD3 ARG 66 far 0 69 0 - 10.0-35.1 HD2 LYS 73 - HD3 ARG 66 far 0 88 0 - 10.0-16.7 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 9 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 2.7-2.8 3.0=100 H ARG 26 + HA GLU 25 OK 57 61 100 94 3.5-3.6 3.6=76, 904/2.9=29...(14) H LYS 75 - HA ARG 71 poor 18 92 20 - 4.4-8.3 H LYS 85 - HA ARG 26 far 0 90 0 - 7.1-43.4 H THR 88 - HA ARG 26 far 0 58 0 - 8.1-50.2 H LYS 85 - HA GLU 25 far 0 93 0 - 8.4-38.6 H LYS 75 - HA GLU 25 far 0 81 0 - 9.0-20.6 H ARG 71 - HA GLU 25 far 0 93 0 - 9.9-14.0 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 27 assignments used, quality = 1.00: * HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-3.0 3.0=90, 3.5/2937=26...(24) HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-2.8 3.0=90, 3.5/2937=26...(24) HB2 ARG 26 + HA ARG 26 OK 53 53 100 99 2.5-3.0 3.0=91, 3.0/2901=19...(30) HB3 ARG 26 + HA ARG 26 OK 50 51 100 99 2.4-2.7 3.0=91, 3.0/2901=19...(32) HB2 ARG 27 - HA GLU 25 far 5 93 5 - 4.4-6.7 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 4.8-6.6 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-6.6 HB2 ARG 26 - HA GLU 25 far 0 56 0 - 5.5-6.6 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 5.6-11.5 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 5.9-6.6 HB3 ARG 26 - HA GLU 25 far 0 53 0 - 6.0-6.6 HB2 LYS 75 - HA GLU 25 far 0 88 0 - 6.0-21.8 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 6.6-15.3 HB3 ARG 23 - HA ARG 26 far 0 89 0 - 6.7-8.8 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 7.2-13.8 HB2 ARG 23 - HA GLU 25 far 0 91 0 - 7.3-8.3 HB3 ARG 23 - HA GLU 25 far 0 92 0 - 7.3-8.4 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 7.4-9.0 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 7.7-12.7 HB3 ARG 23 - HA ARG 71 far 0 100 0 - 7.8-15.8 HB2 ARG 17 - HA GLU 25 far 0 84 0 - 7.9-17.4 HB2 ARG 17 - HA ARG 71 far 0 95 0 - 8.3-27.2 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 8.4-13.2 HB2 ARG 66 - HA ARG 71 far 0 76 0 - 8.9-11.9 HB3 ARG 27 - HA ARG 71 far 0 100 0 - 9.0-13.0 HB2 ARG 17 - HA ARG 26 far 0 81 0 - 9.4-20.8 HB2 LYS 75 - HA ARG 26 far 0 85 0 - 10.0-26.1 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.85, 4.08, 58.40 ppm; 2.91 A): 4 out of 27 assignments used, quality = 1.00: HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-3.0 3.0=90, 3.5/2937=26...(24) * HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.4-2.8 3.0=90, 3.5/2937=26...(24) HB2 ARG 26 + HA ARG 26 OK 55 56 100 99 2.5-3.0 3.0=91, 3.0/2901=19...(30) HB3 ARG 26 + HA ARG 26 OK 53 53 100 99 2.4-2.7 3.0=91, 3.0/2901=19...(32) HB2 ARG 27 - HA GLU 25 far 5 93 5 - 4.4-6.7 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 4.8-6.6 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-6.6 HB2 ARG 26 - HA GLU 25 far 0 58 0 - 5.5-6.6 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 5.6-11.5 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 5.9-6.6 HB3 ARG 26 - HA GLU 25 far 0 56 0 - 6.0-6.6 HB2 LYS 75 - HA GLU 25 far 0 87 0 - 6.0-21.8 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 6.6-15.3 HB3 ARG 23 - HA ARG 26 far 0 88 0 - 6.7-8.8 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 7.2-13.8 HB2 ARG 23 - HA GLU 25 far 0 90 0 - 7.3-8.3 HB3 ARG 23 - HA GLU 25 far 0 91 0 - 7.3-8.4 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 7.4-9.0 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 7.7-12.7 HB3 ARG 23 - HA ARG 71 far 0 99 0 - 7.8-15.8 HB2 ARG 17 - HA GLU 25 far 0 83 0 - 7.9-17.4 HB2 ARG 17 - HA ARG 71 far 0 93 0 - 8.3-27.2 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 8.4-13.2 HB2 ARG 66 - HA ARG 71 far 0 78 0 - 8.9-11.9 HB3 ARG 27 - HA ARG 71 far 0 100 0 - 9.0-13.0 HB2 ARG 17 - HA ARG 26 far 0 80 0 - 9.4-20.8 HB2 LYS 75 - HA ARG 26 far 0 84 0 - 10.0-26.1 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 29 assignments used, quality = 1.00: * HG2 ARG 71 + HA ARG 71 OK 98 100 100 98 2.1-4.1 3.8=51, 3.0/2937=33...(30) HG2 ARG 26 + HA ARG 26 OK 86 90 100 95 2.3-3.9 3.7=57, 1.8/2901=29...(36) HG3 ARG 70 + HA ARG 71 OK 50 99 60 83 3.1-6.6 ~307=21, 2873/4.7=20...(20) HG3 ARG 27 - HA GLU 25 far 8 84 10 - 4.2-7.8 HG2 ARG 27 - HA GLU 25 far 4 86 5 - 4.2-8.2 HG LEU 86 - HA ARG 26 far 3 67 5 - 4.4-49.5 HG LEU 86 - HA GLU 25 far 0 70 0 - 4.7-44.8 HB2 LEU 86 - HA ARG 26 far 0 89 0 - 4.7-47.4 HG2 ARG 26 - HA GLU 25 far 0 93 0 - 5.1-6.9 HG3 ARG 27 - HA ARG 26 far 0 81 0 - 5.3-7.4 HG2 ARG 27 - HA ARG 26 far 0 83 0 - 5.4-7.9 HD3 LYS 73 - HA ARG 71 far 0 98 0 - 6.2-9.7 HB2 LEU 86 - HA GLU 25 far 0 92 0 - 7.1-42.7 HD2 LYS 73 - HA ARG 71 far 0 98 0 - 7.4-9.8 HG3 ARG 17 - HA ARG 26 far 0 90 0 - 8.0-22.9 HG3 ARG 27 - HA ARG 71 far 0 95 0 - 8.2-14.3 HG2 ARG 84 - HA ARG 26 far 0 56 0 - 8.4-41.7 HG3 ARG 84 - HA ARG 26 far 0 56 0 - 8.7-42.3 HG2 ARG 17 - HA ARG 26 far 0 90 0 - 9.0-23.1 HG3 ARG 84 - HA ARG 71 far 0 68 0 - 9.0-32.4 HG2 ARG 84 - HA ARG 71 far 0 68 0 - 9.0-31.4 HG2 ARG 71 - HA GLU 25 far 0 93 0 - 9.2-14.7 HG2 ARG 17 - HA GLU 25 far 0 93 0 - 9.4-19.4 HG3 ARG 17 - HA GLU 25 far 0 93 0 - 9.4-19.4 HG2 ARG 17 - HA ARG 71 far 0 100 0 - 9.5-29.2 HB2 LEU 86 - HA ARG 71 far 0 100 0 - 9.5-38.4 HG2 ARG 27 - HA ARG 71 far 0 96 0 - 9.5-14.3 HG3 ARG 84 - HA GLU 25 far 0 58 0 - 9.7-37.6 HD3 LYS 32 - HA ARG 26 far 0 88 0 - 9.9-13.5 Violated in 2 structures by 0.01 A. Peak 2901 from cnoeabs.peaks (1.75, 4.08, 58.40 ppm; 3.26 A): 2 out of 15 assignments used, quality = 1.00: * HG3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.9-4.2 3.8=62, 779/2.9=47...(32) HG3 ARG 26 + HA ARG 26 OK 88 90 100 98 2.1-4.2 3.7=70, 530/3.0=38...(44) HB3 LYS 73 - HA ARG 71 far 7 68 10 - 4.4-7.6 HG3 ARG 26 - HA GLU 25 far 0 92 0 - 5.1-6.5 HB2 ARG 84 - HA ARG 26 far 0 58 0 - 6.0-42.1 HB ILE 33 - HA GLU 25 far 0 78 0 - 6.7-7.9 HB3 ARG 17 - HA GLU 25 far 0 90 0 - 7.0-17.1 HB2 ARG 84 - HA GLU 25 far 0 61 0 - 7.4-37.4 HG3 ARG 71 - HA GLU 25 far 0 93 0 - 7.8-14.5 HB ILE 33 - HA ARG 26 far 0 75 0 - 7.9-9.5 HB3 ARG 17 - HA ARG 26 far 0 87 0 - 8.2-20.6 HB3 ARG 17 - HA ARG 71 far 0 99 0 - 8.2-27.5 HB3 LYS 85 - HA ARG 26 far 0 49 0 - 8.4-43.2 HB3 LYS 85 - HA GLU 25 far 0 51 0 - 9.0-39.5 HB3 LYS 32 - HA ARG 26 far 0 65 0 - 9.7-11.9 Violated in 3 structures by 0.01 A. Peak 2902 from cnoeabs.peaks (3.14, 4.08, 58.40 ppm; 4.42 A): 1 out of 24 assignments used, quality = 1.00: * HD2 ARG 71 + HA ARG 71 OK 100 100 100 100 2.4-4.1 2937=100, 3.0/2901=44...(35) HD2 ARG 27 - HA GLU 25 far 5 51 10 - 5.4-9.1 HD3 ARG 27 - HA ARG 26 far 0 49 0 - 6.2-9.1 HD3 ARG 84 - HA ARG 26 far 0 86 0 - 6.4-43.6 HD3 ARG 27 - HA GLU 25 far 0 51 0 - 6.5-9.1 HD2 ARG 27 - HA ARG 26 far 0 49 0 - 6.8-8.4 HD2 ARG 23 - HA ARG 26 far 0 58 0 - 7.1-11.0 HD2 ARG 71 - HA GLU 25 far 0 93 0 - 7.1-16.8 HD3 ARG 23 - HA ARG 26 far 0 58 0 - 7.3-11.1 HD3 ARG 23 - HA ARG 71 far 0 71 0 - 7.4-16.0 HD3 ARG 17 - HA ARG 26 far 0 69 0 - 7.9-22.7 HD2 ARG 84 - HA ARG 26 far 0 88 0 - 8.1-44.0 HD2 ARG 17 - HA ARG 26 far 0 69 0 - 8.1-22.8 HD3 ARG 23 - HA GLU 25 far 0 61 0 - 8.2-10.8 HD2 ARG 27 - HA ARG 71 far 0 60 0 - 8.3-14.4 HD3 ARG 84 - HA GLU 25 far 0 89 0 - 8.4-38.9 HD3 ARG 17 - HA GLU 25 far 0 72 0 - 8.7-18.9 HD3 ARG 17 - HA ARG 71 far 0 83 0 - 8.9-29.5 HD2 ARG 23 - HA GLU 25 far 0 61 0 - 9.0-10.8 HD2 ARG 23 - HA ARG 71 far 0 71 0 - 9.2-16.5 HD3 ARG 27 - HA ARG 71 far 0 60 0 - 9.3-15.0 HD2 ARG 71 - HA ARG 26 far 0 90 0 - 9.3-19.7 HD3 ARG 84 - HA ARG 71 far 0 98 0 - 9.5-33.1 HD2 ARG 17 - HA ARG 71 far 0 83 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (3.20, 4.08, 58.40 ppm; 4.25 A): 5 out of 10 assignments used, quality = 1.00: * HD3 ARG 71 + HA ARG 71 OK 100 100 100 100 2.0-5.0 1.8/2937=82, 4.7=76...(44) HD3 ARG 26 + HA ARG 26 OK 58 58 100 100 3.3-5.5 4.8=70, 3.0/2901=38...(58) HD2 ARG 26 + HA ARG 26 OK 56 56 100 100 2.3-5.5 4.8=70, 3.0/2901=38...(58) HD3 ARG 70 + HA ARG 71 OK 48 100 50 96 5.2-7.9 ~307=31, 3.0/5395=22...(23) HD2 ARG 70 + HA ARG 71 OK 38 99 40 97 5.1-7.6 ~307=31, 3.0/5395=22...(23) HD2 ARG 26 - HA GLU 25 far 0 58 0 - 6.5-8.6 HD3 ARG 71 - HA GLU 25 far 0 93 0 - 6.9-16.2 HD3 ARG 26 - HA GLU 25 far 0 61 0 - 7.0-8.3 HD3 ARG 71 - HA ARG 26 far 0 90 0 - 9.2-19.3 HD3 ARG 66 - HA ARG 71 far 0 95 0 - 9.8-13.5 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 23 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.1-3.6 4.0=82, 779/2.8=63...(20) 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 27 OK 40 71 85 66 4.4-6.4 5380/4.1=40, 5345/3.0=23...(7) H ARG 26 + HB2 ARG 26 OK 30 30 100 99 2.2-3.6 3.9=88, 530/3.0=35...(21) H ARG 26 + HB3 ARG 26 OK 28 28 100 99 2.6-3.6 3.9=88, 530/3.0=35...(21) H LYS 75 - HB3 ARG 71 far 9 92 10 - 4.1-10.4 H ARG 26 - HB3 ARG 23 far 5 49 10 - 4.9-6.3 H LYS 75 - HB2 ARG 71 far 5 92 5 - 5.1-10.5 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.3-6.4 H ARG 26 - HB2 ARG 23 far 0 48 0 - 5.5-6.4 H ARG 71 - HB2 ARG 66 far 0 55 0 - 6.2-9.1 H LYS 75 - HB2 ARG 23 far 0 67 0 - 7.1-22.0 H ARG 26 - HB3 ARG 71 far 0 71 0 - 8.3-14.9 H ARG 71 - HB2 ARG 27 far 0 100 0 - 8.5-12.5 H LYS 85 - HB2 ARG 26 far 0 51 0 - 8.5-45.0 H LYS 85 - HB3 ARG 26 far 0 49 0 - 8.6-44.0 H ARG 71 - HB2 ARG 23 far 0 79 0 - 8.6-15.3 H ARG 71 - HB3 ARG 27 far 0 100 0 - 8.6-11.8 H LYS 75 - HB3 ARG 23 far 0 67 0 - 8.6-20.4 H THR 88 - HB3 ARG 26 far 0 28 0 - 9.3-50.3 H ARG 71 - HB3 ARG 23 far 0 79 0 - 9.5-16.1 H ARG 26 - HB2 ARG 71 far 0 71 0 - 9.5-14.1 H LYS 75 - HB2 ARG 66 far 0 46 0 - 9.5-14.8 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 29 assignments used, quality = 1.00: * HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-2.8 3.0=100 HA ARG 26 + HB2 ARG 26 OK 49 49 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 47 47 100 100 2.4-2.7 3.0=100 HA GLU 25 - HB2 ARG 27 far 14 94 15 - 4.4-6.7 HA ALA 63 - HB2 ARG 66 far 2 47 5 - 4.4-5.8 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 4.8-6.6 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-6.6 HA GLU 25 - HB2 ARG 26 far 0 44 0 - 5.5-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 5.9-6.6 HA GLU 25 - HB3 ARG 26 far 0 42 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 79 0 - 6.6-15.3 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 6.7-8.8 HA GLU 25 - HB3 ARG 71 far 0 94 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 23 far 0 70 0 - 7.3-8.3 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.3-8.4 HA ARG 26 - HB2 ARG 23 far 0 76 0 - 7.4-9.0 HA GLU 25 - HB2 ARG 71 far 0 95 0 - 7.7-12.7 HA ARG 71 - HB3 ARG 23 far 0 79 0 - 7.8-15.8 HA GLU 25 - HB2 ARG 17 far 0 45 0 - 7.9-17.4 HA ARG 71 - HB2 ARG 17 far 0 52 0 - 8.3-27.2 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 8.4-13.2 HA ALA 63 - HB3 ARG 27 far 0 93 0 - 8.7-12.3 HA ALA 63 - HB2 ARG 71 far 0 93 0 - 8.8-12.1 HA ARG 71 - HB2 ARG 66 far 0 55 0 - 8.9-11.9 HA ARG 71 - HB3 ARG 27 far 0 100 0 - 9.0-13.0 HA ARG 26 - HB2 ARG 17 far 0 50 0 - 9.4-20.8 HA ALA 63 - HB3 ARG 71 far 0 93 0 - 9.9-13.4 HA ALA 63 - HB2 ARG 27 far 0 93 0 - 10.0-12.6 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 74 assignments used, quality = 1.00: * HG2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 2.9=94, 1418/3.0=15...(64) HG3 ARG 27 + HB2 ARG 27 OK 94 94 100 99 2.2-3.0 2.9=94, 1418/3.0=15...(66) HG3 ARG 27 + HB3 ARG 27 OK 94 94 100 99 2.5-3.0 2.9=94, 1418/3.0=15...(64) 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 2.3-3.0 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, 2900/3.0=15...(38) HG2 ARG 26 + HB3 ARG 26 OK 48 49 100 98 2.3-3.0 3.0=88, 2900/3.0=15...(38) HG3 ARG 70 - HB2 ARG 71 poor 20 99 20 - 3.8-7.4 HG2 ARG 27 - HB2 ARG 26 poor 14 45 30 - 3.9-7.2 HG3 ARG 70 - HB2 ARG 66 far 5 53 10 - 3.3-10.3 HG2 ARG 26 - HB3 ARG 27 far 5 100 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.7-8.1 HG3 ARG 70 - HB3 ARG 71 far 5 99 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 23 far 4 70 5 - 3.9-9.9 HG3 ARG 27 - HB2 ARG 26 far 2 44 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 43 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 42 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 71 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 70 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 79 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 94 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 55 0 - 6.5-11.0 HD3 LYS 32 - HB2 ARG 17 far 0 50 0 - 6.5-29.2 HG3 ARG 27 - HB2 ARG 71 far 0 95 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 48 0 - 6.8-48.2 HG LEU 86 - HB3 ARG 26 far 0 33 0 - 7.0-50.3 HD2 LYS 32 - HB3 PRO 34 far 0 47 0 - 7.0-11.7 HG LEU 86 - HB2 ARG 26 far 0 35 0 - 7.1-51.2 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 7.5-11.9 HD2 LYS 32 - HB2 ARG 17 far 0 48 0 - 7.5-29.4 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 50 0 - 7.7-49.2 HB3 LEU 51 - HB3 PRO 34 far 0 36 0 - 7.7-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 51 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.0-11.1 HG LEU 86 - HB2 ARG 27 far 0 80 0 - 8.0-48.6 HD3 LYS 32 - HB3 PRO 34 far 0 49 0 - 8.0-11.7 HG3 ARG 84 - HB2 ARG 26 far 0 28 0 - 8.3-43.7 HG2 ARG 84 - HB2 ARG 26 far 0 28 0 - 8.5-43.1 HG LEU 86 - HB3 ARG 27 far 0 80 0 - 8.6-49.0 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.8-11.2 HG2 ARG 84 - HB3 ARG 26 far 0 27 0 - 8.9-42.1 HB3 LEU 51 - HB2 ARG 66 far 0 39 0 - 8.9-13.2 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.9-10.8 HG3 ARG 84 - HB3 ARG 26 far 0 27 0 - 9.0-42.6 HG2 ARG 71 - HB2 ARG 17 far 0 52 0 - 9.0-27.0 HB2 LEU 86 - HB2 ARG 27 far 0 100 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 51 0 - 9.1-29.9 HG3 ARG 84 - HB2 ARG 66 far 0 31 0 - 9.1-36.4 HG2 ARG 26 - HB2 ARG 17 far 0 52 0 - 9.2-21.9 HB2 LEU 86 - HB2 ARG 66 far 0 54 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 49 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 100 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 76 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 49 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 51 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 99 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 51 0 - 9.4-15.2 HG2 ARG 84 - HB2 ARG 66 far 0 31 0 - 9.5-35.2 HB2 LEU 86 - HB2 ARG 71 far 0 100 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 100 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 51 0 - 9.9-16.6 HG3 ARG 84 - HB2 ARG 71 far 0 68 0 - 9.9-33.8 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 48 assignments used, quality = 1.00: * HG3 ARG 71 + HB2 ARG 71 OK 89 100 100 89 2.2-2.8 2.8=63, 779/4.0=17...(23) HG3 ARG 71 + HB3 ARG 71 OK 89 100 100 89 2.3-3.0 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 2.3-3.0 2.3=100 HG3 ARG 26 + HB2 ARG 26 OK 43 51 100 85 2.2-3.0 3.0=53, 1390/3.9=14...(35) HG3 ARG 26 + HB3 ARG 26 OK 41 49 100 85 2.2-3.0 3.0=53, 1390/3.9=14...(36) HB2 PRO 34 + HB3 PRO 34 OK 25 25 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.4-8.2 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 4.4-8.2 HG3 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.5-8.0 HG3 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.0-8.6 HB3 LYS 32 - HB3 PRO 34 far 0 33 0 - 5.7-9.7 HB2 ARG 54 - HB3 PRO 34 far 0 43 0 - 5.9-12.2 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 6.0-8.7 HB3 ARG 82 - HB2 ARG 66 far 0 47 0 - 6.1-31.5 HB2 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.1-9.4 HG3 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.1-14.4 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.4-11.8 HB2 ARG 84 - HB2 ARG 26 far 0 30 0 - 6.4-43.7 HB ILE 33 - HB2 ARG 17 far 0 41 0 - 6.5-23.1 HB ILE 33 - HB3 PRO 34 far 0 40 0 - 6.6-6.8 HB3 LYS 32 - HB2 ARG 17 far 0 34 0 - 6.6-28.3 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 6.7-13.6 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 26 far 0 28 0 - 6.8-42.6 HG3 ARG 71 - HB2 ARG 66 far 0 55 0 - 6.9-10.5 HB2 LEU 62 - HB2 ARG 66 far 0 54 0 - 7.1-9.4 HB2 LEU 57 - HB3 PRO 34 far 0 42 0 - 7.1-8.8 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 7.7-9.6 HB2 LYS 32 - HB2 ARG 17 far 0 34 0 - 8.4-27.1 HB3 ARG 17 - HB3 ARG 26 far 0 46 0 - 8.5-20.8 HB3 ARG 17 - HB3 ARG 71 far 0 99 0 - 8.6-25.7 HB3 LYS 73 - HB2 ARG 66 far 0 31 0 - 8.8-11.6 HB3 ARG 82 - HB2 ARG 23 far 0 68 0 - 8.8-35.1 HB2 LEU 57 - HB2 ARG 66 far 0 46 0 - 9.0-11.6 HB3 ARG 17 - HB3 PRO 34 far 0 48 0 - 9.3-28.4 HG3 ARG 71 - HB2 ARG 17 far 0 52 0 - 9.4-25.8 HB2 LYS 32 - HB3 ARG 27 far 0 78 0 - 9.6-12.2 HB2 PRO 34 - HB2 ARG 17 far 0 26 0 - 9.6-27.7 HB3 ARG 82 - HB3 ARG 23 far 0 69 0 - 9.6-36.0 HB ILE 33 - HB3 ARG 26 far 0 38 0 - 9.7-11.7 HB2 ARG 84 - HB2 ARG 23 far 0 48 0 - 9.7-40.8 HG3 ARG 26 - HB3 ARG 71 far 0 100 0 - 9.8-16.8 HB3 LYS 85 - HB3 ARG 71 far 0 60 0 - 9.8-33.4 HB ILE 33 - HB2 ARG 26 far 0 40 0 - 9.8-11.4 HB3 ARG 17 - HB2 ARG 26 far 0 49 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.64 A): 12 out of 62 assignments used, quality = 1.00: * HD2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.3-4.0 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.0-3.8 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.2 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 2.2-3.6 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.0-3.9 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.3-3.7 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 37 37 100 100 2.1-3.9 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 37 37 100 100 2.1-3.8 3.6=100 HD2 ARG 71 - HB2 ARG 23 far 8 79 10 - 3.5-16.2 HD2 ARG 71 - HB2 ARG 27 far 5 100 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 4 30 15 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 4 79 5 - 4.1-16.0 HD2 ARG 23 - HB2 ARG 27 far 4 71 5 - 4.9-10.8 HD2 ARG 23 - HB2 ARG 26 far 3 30 10 - 4.3-9.9 HD2 ARG 82 - HB2 ARG 66 far 3 52 5 - 3.3-31.8 HD3 ARG 27 - HB2 ARG 26 far 2 24 10 - 4.3-8.1 HD3 ARG 27 - HB3 ARG 26 far 2 23 10 - 4.8-8.7 HD3 ARG 27 - HB3 ARG 23 far 2 41 5 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 24 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 40 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 41 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 40 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 48 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 23 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 46 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 6.5-12.1 HD2 ARG 71 - HB2 ARG 17 far 0 52 0 - 6.7-28.0 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 49 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 51 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 36 0 - 7.5-29.6 HB2 PHE 48 - HB2 ARG 66 far 0 44 0 - 7.5-10.5 HD2 ARG 71 - HB2 ARG 26 far 0 51 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 47 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 55 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 36 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.4-13.9 HD3 ARG 84 - HB2 ARG 23 far 0 74 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 53 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 49 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 35 0 - 9.2-23.0 HD2 ARG 84 - HB2 ARG 23 far 0 76 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 35 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 99 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 75 0 - 9.6-40.8 HD3 ARG 17 - HB3 ARG 71 far 0 83 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 98 0 - 9.9-34.6 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 38 assignments used, quality = 1.00: HD3 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-4.1 3.5=100 * HD3 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.5-3.9 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.0-4.0 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 48 48 100 100 2.1-3.8 3.4=100 HD3 ARG 26 + HB2 ARG 26 OK 30 30 100 100 2.2-4.2 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 28 28 100 100 2.7-3.8 3.5=100 HD3 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.0-3.7 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 27 27 100 100 2.1-4.2 3.5=100 HD2 ARG 70 - HB2 ARG 66 poor 19 53 35 - 2.8-9.7 HD3 ARG 70 - HB2 ARG 66 poor 16 54 30 - 3.4-9.7 HD3 ARG 71 - HB2 ARG 23 far 8 79 10 - 4.1-15.4 HD3 ARG 26 - HB2 ARG 23 far 7 48 15 - 4.7-9.6 HD3 ARG 26 - HB3 ARG 27 far 7 71 10 - 4.9-9.8 HD3 ARG 71 - HB2 ARG 27 far 5 100 5 - 4.0-14.1 HD3 ARG 71 - HB3 ARG 27 far 5 100 5 - 4.6-13.7 HD2 ARG 70 - HB3 ARG 71 far 5 99 5 - 4.2-9.2 HD3 ARG 26 - HB3 ARG 23 far 5 49 10 - 3.9-8.8 HD2 ARG 26 - HB3 ARG 23 far 5 47 10 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 27 far 4 71 5 - 4.1-8.9 HD2 ARG 26 - HB2 ARG 27 far 3 68 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 3 68 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 23 far 2 46 5 - 4.9-9.2 HD3 ARG 70 - HB3 ARG 71 far 0 100 0 - 5.2-9.5 HD3 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.3-15.5 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.3-8.7 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 5.3-8.3 HD3 ARG 71 - HB2 ARG 17 far 0 52 0 - 7.0-27.7 HD3 ARG 71 - HB2 ARG 66 far 0 55 0 - 7.6-12.3 HD3 ARG 71 - HB2 ARG 26 far 0 51 0 - 7.9-17.9 HD3 ARG 66 - HB2 ARG 71 far 0 95 0 - 8.6-12.8 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 9.3-13.8 HD3 ARG 26 - HB2 ARG 17 far 0 30 0 - 9.3-20.4 HD3 ARG 71 - HB3 ARG 26 far 0 49 0 - 9.3-19.4 HD2 ARG 26 - HB2 ARG 17 far 0 29 0 - 9.4-20.4 HD3 ARG 66 - HB3 ARG 71 far 0 94 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 100 0 - 9.7-16.6 HD2 ARG 70 - HB2 ARG 17 far 0 50 0 - 9.9-31.1 HD3 ARG 70 - HB3 ARG 27 far 0 100 0 - 9.9-15.7 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 23 assignments used, quality = 1.00: H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.1-3.6 4.0=82, 779/2.8=63...(20) * 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 27 OK 40 71 85 66 4.4-6.4 5380/4.1=40, 5345/3.0=23...(7) H ARG 26 + HB2 ARG 26 OK 31 31 100 99 2.2-3.6 3.9=88, 530/3.0=35...(21) H ARG 26 + HB3 ARG 26 OK 30 30 100 99 2.6-3.6 3.9=88, 530/3.0=35...(21) H LYS 75 - HB3 ARG 71 far 9 92 10 - 4.1-10.4 H ARG 26 - HB3 ARG 23 far 5 48 10 - 4.9-6.3 H LYS 75 - HB2 ARG 71 far 5 92 5 - 5.1-10.5 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.3-6.4 H ARG 26 - HB2 ARG 23 far 0 48 0 - 5.5-6.4 H ARG 71 - HB2 ARG 66 far 0 57 0 - 6.2-9.1 H LYS 75 - HB2 ARG 23 far 0 66 0 - 7.1-22.0 H ARG 26 - HB3 ARG 71 far 0 71 0 - 8.3-14.9 H ARG 71 - HB2 ARG 27 far 0 100 0 - 8.5-12.5 H LYS 85 - HB2 ARG 26 far 0 54 0 - 8.5-45.0 H LYS 85 - HB3 ARG 26 far 0 51 0 - 8.6-44.0 H ARG 71 - HB2 ARG 23 far 0 78 0 - 8.6-15.3 H ARG 71 - HB3 ARG 27 far 0 100 0 - 8.6-11.8 H LYS 75 - HB3 ARG 23 far 0 67 0 - 8.6-20.4 H THR 88 - HB3 ARG 26 far 0 30 0 - 9.3-50.3 H ARG 71 - HB3 ARG 23 far 0 79 0 - 9.5-16.1 H ARG 26 - HB2 ARG 71 far 0 71 0 - 9.5-14.1 H LYS 75 - HB2 ARG 66 far 0 47 0 - 9.5-14.8 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 29 assignments used, quality = 1.00: * HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-2.8 3.0=100 HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 26 + HB2 ARG 26 OK 51 51 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 49 49 100 100 2.4-2.7 3.0=100 HA GLU 25 - HB2 ARG 27 far 14 94 15 - 4.4-6.7 HA ALA 63 - HB2 ARG 66 far 2 48 5 - 4.4-5.8 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 4.8-6.6 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-6.6 HA GLU 25 - HB2 ARG 26 far 0 47 0 - 5.5-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 5.9-6.6 HA GLU 25 - HB3 ARG 26 far 0 44 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 78 0 - 6.6-15.3 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 6.7-8.8 HA GLU 25 - HB3 ARG 71 far 0 95 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 23 far 0 69 0 - 7.3-8.3 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.3-8.4 HA ARG 26 - HB2 ARG 23 far 0 75 0 - 7.4-9.0 HA GLU 25 - HB2 ARG 71 far 0 94 0 - 7.7-12.7 HA ARG 71 - HB3 ARG 23 far 0 79 0 - 7.8-15.8 HA GLU 25 - HB2 ARG 17 far 0 44 0 - 7.9-17.4 HA ARG 71 - HB2 ARG 17 far 0 51 0 - 8.3-27.2 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 8.4-13.2 HA ALA 63 - HB3 ARG 27 far 0 93 0 - 8.7-12.3 HA ALA 63 - HB2 ARG 71 far 0 93 0 - 8.8-12.1 HA ARG 71 - HB2 ARG 66 far 0 57 0 - 8.9-11.9 HA ARG 71 - HB3 ARG 27 far 0 100 0 - 9.0-13.0 HA ARG 26 - HB2 ARG 17 far 0 49 0 - 9.4-20.8 HA ALA 63 - HB3 ARG 71 far 0 93 0 - 9.9-13.4 HA ALA 63 - HB2 ARG 27 far 0 93 0 - 10.0-12.6 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 74 assignments used, quality = 1.00: * HG2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 95 95 100 99 2.3-3.0 2.9=94, 1418/3.0=15...(64) 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 2.5-3.0 2.9=94, 1418/3.0=15...(64) HG3 ARG 27 + HB2 ARG 27 OK 94 94 100 99 2.2-3.0 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, 2900/3.0=15...(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 2.3-3.0 2.9=90, 1181/1.8=22...(33) HG2 ARG 26 + HB3 ARG 26 OK 50 51 100 98 2.3-3.0 3.0=88, 2900/3.0=15...(38) HG3 ARG 70 - HB2 ARG 71 poor 20 99 20 - 3.8-7.4 HG2 ARG 27 - HB2 ARG 26 poor 14 48 30 - 3.9-7.2 HG3 ARG 70 - HB2 ARG 66 far 5 55 10 - 3.3-10.3 HG2 ARG 26 - HB3 ARG 27 far 5 100 5 - 3.3-8.4 HG2 ARG 26 - HB2 ARG 27 far 5 100 5 - 3.7-8.1 HG3 ARG 70 - HB3 ARG 71 far 5 99 5 - 3.7-8.3 HG3 ARG 27 - HB3 ARG 23 far 3 70 5 - 3.9-9.9 HG3 ARG 27 - HB2 ARG 26 far 2 47 5 - 4.0-7.2 HG2 ARG 27 - HB3 ARG 26 far 0 45 0 - 4.5-7.9 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.5-9.3 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.6-9.3 HG3 ARG 27 - HB3 ARG 26 far 0 44 0 - 4.6-7.2 HG2 ARG 27 - HB2 ARG 23 far 0 70 0 - 4.6-10.1 HG3 ARG 27 - HB2 ARG 23 far 0 69 0 - 4.6-11.1 HG2 ARG 71 - HB2 ARG 23 far 0 78 0 - 5.1-15.0 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.5-8.8 HG2 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.9-14.6 HG3 ARG 27 - HB3 ARG 71 far 0 95 0 - 6.4-12.3 HG2 ARG 71 - HB2 ARG 66 far 0 57 0 - 6.5-11.0 HD3 LYS 32 - HB2 ARG 17 far 0 49 0 - 6.5-29.2 HG3 ARG 27 - HB2 ARG 71 far 0 94 0 - 6.5-11.3 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.8-12.5 HB2 LEU 86 - HB3 ARG 26 far 0 50 0 - 6.8-48.2 HG LEU 86 - HB3 ARG 26 far 0 35 0 - 7.0-50.3 HD2 LYS 32 - HB3 PRO 34 far 0 49 0 - 7.0-11.7 HG LEU 86 - HB2 ARG 26 far 0 37 0 - 7.1-51.2 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.5-11.9 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 7.5-10.5 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 7.5-11.9 HD2 LYS 32 - HB2 ARG 17 far 0 47 0 - 7.5-29.4 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.7-12.2 HB2 LEU 86 - HB2 ARG 26 far 0 52 0 - 7.7-49.2 HB3 LEU 51 - HB3 PRO 34 far 0 37 0 - 7.7-11.2 HG3 ARG 17 - HB3 PRO 34 far 0 52 0 - 8.0-30.5 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.0-11.1 HG LEU 86 - HB2 ARG 27 far 0 80 0 - 8.0-48.6 HD3 LYS 32 - HB3 PRO 34 far 0 50 0 - 8.0-11.7 HG3 ARG 84 - HB2 ARG 26 far 0 30 0 - 8.3-43.7 HG2 ARG 84 - HB2 ARG 26 far 0 30 0 - 8.5-43.1 HG LEU 86 - HB3 ARG 27 far 0 80 0 - 8.6-49.0 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 8.8-11.2 HG2 ARG 84 - HB3 ARG 26 far 0 28 0 - 8.9-42.1 HB3 LEU 51 - HB2 ARG 66 far 0 41 0 - 8.9-13.2 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.9-10.8 HG3 ARG 84 - HB3 ARG 26 far 0 28 0 - 9.0-42.6 HG2 ARG 71 - HB2 ARG 17 far 0 51 0 - 9.0-27.0 HB2 LEU 86 - HB2 ARG 27 far 0 100 0 - 9.0-46.8 HG2 ARG 17 - HB3 PRO 34 far 0 52 0 - 9.1-29.9 HG3 ARG 84 - HB2 ARG 66 far 0 32 0 - 9.1-36.4 HG2 ARG 26 - HB2 ARG 17 far 0 51 0 - 9.2-21.9 HB2 LEU 86 - HB2 ARG 66 far 0 56 0 - 9.2-40.0 HG2 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.3-23.2 HB2 LEU 86 - HB3 ARG 27 far 0 100 0 - 9.3-47.1 HG3 ARG 70 - HB2 ARG 23 far 0 75 0 - 9.4-18.2 HG3 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.4-22.9 HD2 LYS 73 - HB2 ARG 66 far 0 53 0 - 9.4-15.3 HG3 ARG 70 - HB2 ARG 27 far 0 99 0 - 9.4-16.1 HD3 LYS 73 - HB2 ARG 66 far 0 53 0 - 9.4-15.2 HG2 ARG 84 - HB2 ARG 66 far 0 32 0 - 9.5-35.2 HB2 LEU 86 - HB2 ARG 71 far 0 100 0 - 9.6-39.4 HG2 ARG 26 - HB3 ARG 71 far 0 100 0 - 9.7-17.8 HG3 ARG 17 - HB2 ARG 26 far 0 54 0 - 9.9-21.2 HG2 ARG 71 - HB2 ARG 26 far 0 54 0 - 9.9-16.6 HG3 ARG 84 - HB2 ARG 71 far 0 68 0 - 9.9-33.8 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 48 assignments used, quality = 1.00: HG3 ARG 71 + HB2 ARG 71 OK 89 100 100 89 2.2-2.8 2.8=63, 779/4.0=17...(23) * HG3 ARG 71 + HB3 ARG 71 OK 89 100 100 89 2.3-3.0 2.8=63, 779/4.0=17...(23) HG2 PRO 34 + HB3 PRO 34 OK 50 50 100 100 2.3-3.0 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 45 53 100 85 2.2-3.0 3.0=53, 1390/3.9=14...(35) HG3 ARG 26 + HB3 ARG 26 OK 43 51 100 85 2.2-3.0 3.0=53, 1390/3.9=14...(36) HB2 PRO 34 + HB3 PRO 34 OK 26 26 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.4-8.2 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 4.4-8.2 HG3 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.5-8.0 HG3 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.0-8.6 HB3 LYS 32 - HB3 PRO 34 far 0 35 0 - 5.7-9.7 HB2 ARG 54 - HB3 PRO 34 far 0 44 0 - 5.9-12.2 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 6.0-8.7 HB3 ARG 82 - HB2 ARG 66 far 0 48 0 - 6.1-31.5 HB2 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.1-9.4 HG3 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.1-14.4 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 6.3-9.2 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.4-11.8 HB2 ARG 84 - HB2 ARG 26 far 0 31 0 - 6.4-43.7 HB ILE 33 - HB2 ARG 17 far 0 40 0 - 6.5-23.1 HB ILE 33 - HB3 PRO 34 far 0 41 0 - 6.6-6.8 HB3 LYS 32 - HB2 ARG 17 far 0 33 0 - 6.6-28.3 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 6.7-13.6 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.7-11.3 HB2 ARG 84 - HB3 ARG 26 far 0 30 0 - 6.8-42.6 HG3 ARG 71 - HB2 ARG 66 far 0 57 0 - 6.9-10.5 HB2 LEU 62 - HB2 ARG 66 far 0 56 0 - 7.1-9.4 HB2 LEU 57 - HB3 PRO 34 far 0 43 0 - 7.1-8.8 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 7.3-9.5 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 7.7-9.6 HB2 LYS 32 - HB2 ARG 17 far 0 33 0 - 8.4-27.1 HB3 ARG 17 - HB3 ARG 26 far 0 49 0 - 8.5-20.8 HB3 ARG 17 - HB3 ARG 71 far 0 99 0 - 8.6-25.7 HB3 LYS 73 - HB2 ARG 66 far 0 32 0 - 8.8-11.6 HB3 ARG 82 - HB2 ARG 23 far 0 68 0 - 8.8-35.1 HB2 LEU 57 - HB2 ARG 66 far 0 47 0 - 9.0-11.6 HB3 ARG 17 - HB3 PRO 34 far 0 50 0 - 9.3-28.4 HG3 ARG 71 - HB2 ARG 17 far 0 51 0 - 9.4-25.8 HB2 LYS 32 - HB3 ARG 27 far 0 78 0 - 9.6-12.2 HB2 PRO 34 - HB2 ARG 17 far 0 25 0 - 9.6-27.7 HB3 ARG 82 - HB3 ARG 23 far 0 68 0 - 9.6-36.0 HB ILE 33 - HB3 ARG 26 far 0 40 0 - 9.7-11.7 HB2 ARG 84 - HB2 ARG 23 far 0 48 0 - 9.7-40.8 HG3 ARG 26 - HB3 ARG 71 far 0 100 0 - 9.8-16.8 HB3 LYS 85 - HB3 ARG 71 far 0 60 0 - 9.8-33.4 HB ILE 33 - HB2 ARG 26 far 0 42 0 - 9.8-11.4 HB3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.64 A): 12 out of 62 assignments used, quality = 1.00: * HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.0-3.8 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 100 100 2.1-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 100 100 2.3-4.0 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 2.2-3.6 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.0-3.9 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 100 100 2.3-3.7 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 36 36 100 100 2.1-3.9 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 36 36 100 100 2.1-3.8 3.6=100 HD2 ARG 71 - HB2 ARG 23 far 8 78 10 - 3.5-16.2 HD2 ARG 71 - HB2 ARG 27 far 5 100 5 - 4.7-14.3 HD3 ARG 23 - HB2 ARG 26 far 5 31 15 - 4.5-10.1 HD2 ARG 71 - HB3 ARG 23 far 4 79 5 - 4.1-16.0 HD2 ARG 23 - HB2 ARG 27 far 4 71 5 - 4.9-10.8 HD2 ARG 23 - HB2 ARG 26 far 3 31 10 - 4.3-9.9 HD2 ARG 82 - HB2 ARG 66 far 3 54 5 - 3.3-31.8 HD3 ARG 27 - HB2 ARG 26 far 3 26 10 - 4.3-8.1 HD3 ARG 27 - HB3 ARG 26 far 2 24 10 - 4.8-8.7 HD3 ARG 27 - HB3 ARG 23 far 2 40 5 - 4.9-10.0 HD2 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.2-9.8 HD2 ARG 27 - HB2 ARG 26 far 0 26 0 - 5.3-8.0 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 5.4-10.7 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 5.5-11.3 HD3 ARG 27 - HB2 ARG 23 far 0 40 0 - 5.5-10.1 HD2 ARG 27 - HB3 ARG 23 far 0 40 0 - 5.6-10.6 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 5.7-11.6 HD3 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.7-9.7 HD2 ARG 27 - HB2 ARG 23 far 0 40 0 - 5.7-11.1 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 5.7-13.8 HD3 ARG 84 - HB2 ARG 26 far 0 50 0 - 5.8-45.0 HD2 ARG 27 - HB3 ARG 26 far 0 24 0 - 5.9-8.5 HD3 ARG 84 - HB3 ARG 26 far 0 48 0 - 6.3-43.9 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 6.3-12.3 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 6.4-12.4 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 6.5-12.1 HD2 ARG 71 - HB2 ARG 17 far 0 51 0 - 6.7-28.0 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.2-14.1 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 7.2-12.9 HD2 ARG 84 - HB2 ARG 26 far 0 51 0 - 7.3-45.5 HD3 ARG 84 - HB2 ARG 66 far 0 53 0 - 7.4-37.1 HD3 ARG 17 - HB3 PRO 34 far 0 37 0 - 7.5-29.6 HB2 PHE 48 - HB2 ARG 66 far 0 46 0 - 7.5-10.5 HD2 ARG 71 - HB2 ARG 26 far 0 54 0 - 7.6-18.3 HD2 ARG 84 - HB3 ARG 26 far 0 49 0 - 7.8-44.4 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.9-14.1 HD2 ARG 71 - HB2 ARG 66 far 0 57 0 - 8.0-12.5 HD2 ARG 17 - HB3 PRO 34 far 0 37 0 - 8.1-30.5 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.4-13.9 HD3 ARG 84 - HB2 ARG 23 far 0 73 0 - 8.7-40.5 HD2 ARG 84 - HB2 ARG 66 far 0 55 0 - 8.8-37.0 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 9.0-14.2 HD2 ARG 71 - HB3 ARG 26 far 0 51 0 - 9.2-19.7 HD2 ARG 17 - HB3 ARG 26 far 0 36 0 - 9.2-23.0 HD2 ARG 84 - HB2 ARG 23 far 0 75 0 - 9.4-41.7 HD3 ARG 17 - HB3 ARG 26 far 0 36 0 - 9.4-23.1 HD2 ARG 82 - HB2 ARG 71 far 0 99 0 - 9.5-29.4 HD3 ARG 84 - HB3 ARG 23 far 0 74 0 - 9.6-40.8 HD3 ARG 17 - HB3 ARG 71 far 0 83 0 - 9.9-27.3 HD3 ARG 84 - HB2 ARG 71 far 0 98 0 - 9.9-34.6 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 38 assignments used, quality = 1.00: * HD3 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-4.1 3.5=100 HD3 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.5-3.9 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 52 52 100 100 2.0-4.0 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.1-3.8 3.4=100 HD3 ARG 26 + HB2 ARG 26 OK 31 31 100 100 2.2-4.2 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 30 30 100 100 2.7-3.8 3.5=100 HD3 ARG 26 + HB3 ARG 26 OK 30 30 100 100 2.0-3.7 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.1-4.2 3.5=100 HD2 ARG 70 - HB2 ARG 66 poor 19 55 35 - 2.8-9.7 HD3 ARG 70 - HB2 ARG 66 poor 17 56 30 - 3.4-9.7 HD3 ARG 71 - HB2 ARG 23 far 8 78 10 - 4.1-15.4 HD3 ARG 26 - HB2 ARG 23 far 7 48 15 - 4.7-9.6 HD3 ARG 26 - HB3 ARG 27 far 7 71 10 - 4.9-9.8 HD3 ARG 71 - HB2 ARG 27 far 5 100 5 - 4.0-14.1 HD3 ARG 71 - HB3 ARG 27 far 5 100 5 - 4.6-13.7 HD2 ARG 70 - HB3 ARG 71 far 5 99 5 - 4.2-9.2 HD3 ARG 26 - HB3 ARG 23 far 5 48 10 - 3.9-8.8 HD2 ARG 26 - HB3 ARG 23 far 5 46 10 - 4.7-9.2 HD3 ARG 26 - HB2 ARG 27 far 4 71 5 - 4.1-8.9 HD2 ARG 26 - HB2 ARG 27 far 3 68 5 - 3.5-8.5 HD2 ARG 26 - HB3 ARG 27 far 3 68 5 - 4.6-9.7 HD2 ARG 26 - HB2 ARG 23 far 2 46 5 - 4.9-9.2 HD3 ARG 70 - HB3 ARG 71 far 0 100 0 - 5.2-9.5 HD3 ARG 71 - HB3 ARG 23 far 0 79 0 - 5.3-15.5 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.3-8.7 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 5.3-8.3 HD3 ARG 71 - HB2 ARG 17 far 0 51 0 - 7.0-27.7 HD3 ARG 71 - HB2 ARG 66 far 0 57 0 - 7.6-12.3 HD3 ARG 71 - HB2 ARG 26 far 0 54 0 - 7.9-17.9 HD3 ARG 66 - HB2 ARG 71 far 0 94 0 - 8.6-12.8 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 9.3-13.8 HD3 ARG 26 - HB2 ARG 17 far 0 29 0 - 9.3-20.4 HD3 ARG 71 - HB3 ARG 26 far 0 51 0 - 9.3-19.4 HD2 ARG 26 - HB2 ARG 17 far 0 28 0 - 9.4-20.4 HD3 ARG 66 - HB3 ARG 71 far 0 95 0 - 9.6-14.1 HD3 ARG 70 - HB2 ARG 27 far 0 100 0 - 9.7-16.6 HD2 ARG 70 - HB2 ARG 17 far 0 49 0 - 9.9-31.1 HD3 ARG 70 - HB3 ARG 27 far 0 100 0 - 9.9-15.7 Violated in 0 structures by 0.00 A. Peak 2920 from cnoeabs.peaks (8.11, 1.62, 28.82 ppm; 4.31 A): 3 out of 8 assignments used, quality = 1.00: * H ARG 71 + HG2 ARG 71 OK 100 100 100 100 1.9-4.0 779/1.8=93, 5.0=65...(29) H LYS 75 + HD3 LYS 73 OK 33 87 55 70 3.1-8.1 5849/2.9=26, 803/3.5=20...(12) H LYS 75 + HD2 LYS 73 OK 24 87 40 70 1.9-8.5 5849/2.9=26, 803/3.5=20...(13) H LYS 75 - HG2 ARG 71 far 9 92 10 - 5.5-10.5 H ARG 71 - HD3 LYS 73 far 0 98 0 - 5.9-9.1 H ARG 71 - HD2 LYS 73 far 0 98 0 - 6.5-9.5 H ARG 26 - HG2 ARG 71 far 0 71 0 - 9.4-16.3 H LYS 85 - HG2 ARG 71 far 0 100 0 - 9.9-35.2 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 8 assignments used, quality = 1.00: * HA ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.1-4.1 3.8=100 HA VAL 90 - HD2 LYS 32 far 5 98 5 - 5.1-59.5 HA ARG 71 - HD3 LYS 73 far 0 98 0 - 6.2-9.7 HA VAL 90 - HD3 LYS 32 far 0 99 0 - 6.3-60.3 HA ARG 71 - HD2 LYS 73 far 0 98 0 - 7.4-9.8 HA ALA 63 - HG2 ARG 71 far 0 93 0 - 8.0-13.0 HA GLU 25 - HG2 ARG 71 far 0 95 0 - 9.2-14.7 HA ARG 26 - HD3 LYS 32 far 0 97 0 - 9.9-13.5 Violated in 1 structures by 0.01 A. Peak 2922 from cnoeabs.peaks (1.85, 1.62, 28.82 ppm; 3.09 A): 2 out of 24 assignments used, quality = 1.00: * HB2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HB3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB2 LYS 75 - HD2 LYS 73 poor 8 94 30 27 3.7-11.4 4.0/2920=4, 1.8/2984=2...(10) HB2 LYS 75 - HD3 LYS 73 poor 7 94 25 28 2.3-11.3 4.0/2920=5, 1.8/2984=3...(10) HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 5.1-15.0 HB3 ARG 23 - HG2 ARG 71 far 0 100 0 - 5.9-14.6 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 5.9-13.6 HB2 ARG 66 - HG2 ARG 71 far 0 76 0 - 6.5-11.0 HB2 ARG 17 - HD3 LYS 32 far 0 92 0 - 6.5-29.2 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.8-12.5 HB3 PRO 34 - HD2 LYS 32 far 0 76 0 - 7.0-11.7 HB ILE 89 - HD2 LYS 32 far 0 56 0 - 7.0-58.3 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 7.5-10.5 HB2 ARG 17 - HD2 LYS 32 far 0 90 0 - 7.5-29.4 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.0-11.1 HB3 PRO 34 - HD3 LYS 32 far 0 77 0 - 8.0-11.7 HB ILE 89 - HD3 LYS 32 far 0 57 0 - 8.7-59.6 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.8-11.2 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.9-10.8 HB2 ARG 17 - HG2 ARG 71 far 0 95 0 - 9.0-27.0 HB2 ARG 66 - HD2 LYS 73 far 0 71 0 - 9.4-15.3 HB2 ARG 66 - HD3 LYS 73 far 0 71 0 - 9.4-15.2 HB2 ARG 26 - HG2 ARG 71 far 0 65 0 - 9.9-16.6 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 22 assignments used, quality = 1.00: * HB3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HB2 LYS 75 - HD2 LYS 73 poor 7 93 30 27 3.7-11.4 4.0/2920=4, 1.8/2984=2...(10) HB2 LYS 75 - HD3 LYS 73 poor 6 93 25 28 2.3-11.3 4.0/2920=5, 1.8/2984=3...(10) HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 5.1-15.0 HB3 ARG 23 - HG2 ARG 71 far 0 99 0 - 5.9-14.6 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 5.9-13.6 HB2 ARG 66 - HG2 ARG 71 far 0 78 0 - 6.5-11.0 HB2 ARG 17 - HD3 LYS 32 far 0 90 0 - 6.5-29.2 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.8-12.5 HB3 PRO 34 - HD2 LYS 32 far 0 78 0 - 7.0-11.7 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 7.5-11.9 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 7.5-10.5 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-29.4 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.0-11.1 HB3 PRO 34 - HD3 LYS 32 far 0 80 0 - 8.0-11.7 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.8-11.2 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.9-10.8 HB2 ARG 17 - HG2 ARG 71 far 0 93 0 - 9.0-27.0 HB2 ARG 66 - HD2 LYS 73 far 0 73 0 - 9.4-15.3 HB2 ARG 66 - HD3 LYS 73 far 0 73 0 - 9.4-15.2 HB2 ARG 26 - HG2 ARG 71 far 0 68 0 - 9.9-16.6 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 26 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 93 2.1-3.8 3.5=51, 1.8/1581=13...(39) HB2 LYS 32 + HD3 LYS 32 OK 70 75 100 93 2.3-4.1 3.5=51, 1.8/1571=13...(39) HB3 LYS 32 + HD2 LYS 32 OK 68 73 100 93 2.0-3.9 3.5=51, 1.8/1581=13...(39) HB2 LYS 32 + HD2 LYS 32 OK 68 73 100 93 2.2-4.1 3.5=51, 1.8/1571=13...(39) HB3 LYS 73 + HD3 LYS 73 OK 53 64 100 84 2.3-3.9 3.5=48, 3.0/3009=13...(29) HB3 LYS 73 + HD2 LYS 73 OK 53 64 100 83 2.3-4.2 3.5=48, 3.0/3019=13...(28) HB2 LEU 43 - HD2 LYS 73 far 0 61 0 - 5.4-13.7 HB3 ARG 17 - HD3 LYS 32 far 0 97 0 - 5.8-29.6 HB2 LEU 43 - HD3 LYS 73 far 0 61 0 - 6.2-13.9 HB3 LYS 73 - HG2 ARG 71 far 0 68 0 - 6.2-9.5 HB3 ARG 17 - HD2 LYS 32 far 0 95 0 - 6.8-29.7 HB2 PRO 34 - HD2 LYS 32 far 0 58 0 - 6.9-12.0 HB3 ARG 82 - HD2 LYS 73 far 0 89 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 84 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 95 0 - 7.3-11.4 HB3 ARG 82 - HG2 ARG 71 far 0 93 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 86 0 - 7.9-9.5 HB3 LYS 85 - HG2 ARG 71 far 0 60 0 - 8.1-33.8 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 8.3-12.1 HG2 PRO 34 - HD3 LYS 32 far 0 97 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 89 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.5-12.2 HG3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.4-12.5 HB3 ARG 17 - HG2 ARG 71 far 0 99 0 - 9.5-26.0 HB2 LEU 57 - HD2 LYS 32 far 0 87 0 - 9.7-13.8 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 17 assignments used, quality = 1.00: * HD2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 48 - HD2 LYS 73 far 4 86 5 - 5.6-14.4 HD3 ARG 23 - HG2 ARG 71 far 0 71 0 - 5.8-16.1 HB2 PHE 48 - HD3 LYS 73 far 0 86 0 - 6.0-14.4 HD3 ARG 17 - HD3 LYS 32 far 0 80 0 - 6.2-31.6 HD2 ARG 27 - HG2 ARG 71 far 0 60 0 - 6.2-12.6 HD2 ARG 82 - HD2 LYS 73 far 0 95 0 - 6.6-23.7 HD3 ARG 27 - HG2 ARG 71 far 0 60 0 - 7.4-13.8 HD2 ARG 23 - HG2 ARG 71 far 0 71 0 - 7.6-15.9 HD2 ARG 82 - HG2 ARG 71 far 0 99 0 - 7.6-29.6 HD3 ARG 17 - HD2 LYS 32 far 0 78 0 - 7.6-31.7 HD2 ARG 82 - HD3 LYS 73 far 0 95 0 - 7.7-24.0 HD2 ARG 17 - HD3 LYS 32 far 0 80 0 - 7.7-32.0 HD2 ARG 17 - HD2 LYS 32 far 0 78 0 - 8.9-32.1 HD2 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.6-13.5 HD3 ARG 84 - HD2 LYS 73 far 0 94 0 - 9.7-26.8 HD2 ARG 71 - HD3 LYS 73 far 0 98 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 2927 from cnoeabs.peaks (3.20, 1.62, 28.82 ppm; 4.04 A): 3 out of 14 assignments used, quality = 1.00: * HD3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 70 + HG2 ARG 71 OK 55 99 70 79 3.2-8.2 3.0/2869=20, 2935/1.8=15...(22) HD3 ARG 70 + HG2 ARG 71 OK 47 100 60 78 2.9-8.7 3.0/2869=20, 2935/1.8=15...(21) HD3 ARG 70 - HD3 LYS 73 far 0 97 0 - 6.6-12.1 HD2 ARG 70 - HD2 LYS 73 far 0 96 0 - 6.7-11.7 HD3 ARG 66 - HG2 ARG 71 far 0 95 0 - 7.6-13.7 HD3 ARG 70 - HD2 LYS 73 far 0 97 0 - 7.7-11.8 HD2 ARG 70 - HD3 LYS 73 far 0 96 0 - 7.8-11.9 HD2 ARG 66 - HG2 ARG 71 far 0 97 0 - 8.3-13.7 HD3 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.5-13.1 HD3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.8-13.1 HD3 ARG 66 - HD3 LYS 73 far 0 90 0 - 9.5-16.7 HD2 ARG 66 - HD3 LYS 73 far 0 93 0 - 9.7-16.5 HD3 ARG 66 - HD2 LYS 73 far 0 90 0 - 10.0-16.7 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 4 assignments used, quality = 1.00: * H ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.8 779=100, 2920/1.8=45...(21) H LYS 75 - HG3 ARG 71 far 5 92 5 - 5.5-11.7 H ARG 26 - HG3 ARG 71 far 0 71 0 - 8.9-15.8 H LYS 85 - HG3 ARG 71 far 0 100 0 - 9.9-36.2 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 2.9-4.2 3.8=100 HA GLU 25 - HG3 ARG 71 far 0 95 0 - 7.8-14.5 HA ALA 63 - HG3 ARG 71 far 0 93 0 - 8.1-11.5 Violated in 1 structures by 0.01 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 2.2-2.8 2.8=100 HB3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.1-14.4 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 6.2-14.3 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.4-11.8 HB3 ARG 23 - HG3 ARG 71 far 0 100 0 - 6.7-13.6 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.7-11.3 HB2 ARG 66 - HG3 ARG 71 far 0 76 0 - 6.9-10.5 HB2 ARG 17 - HG3 ARG 71 far 0 95 0 - 9.4-25.8 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-2.8 2.8=100 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.1-14.4 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 6.2-14.3 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.4-11.8 HB3 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.7-13.6 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.7-11.3 HB2 ARG 66 - HG3 ARG 71 far 0 78 0 - 6.9-10.5 HB2 ARG 17 - HG3 ARG 71 far 0 93 0 - 9.4-25.8 Violated in 0 structures by 0.00 A. Peak 2932 from cnoeabs.peaks (1.62, 1.75, 28.82 ppm; 2.76 A): 1 out of 10 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 poor 15 99 30 52 2.3-7.7 5.0/779=16, ~2869=8...(16) HG3 ARG 27 - HG3 ARG 71 far 0 95 0 - 5.8-11.5 HG2 ARG 27 - HG3 ARG 71 far 0 96 0 - 6.7-12.6 HB2 LEU 86 - HG3 ARG 71 far 0 100 0 - 8.1-41.2 HD3 LYS 73 - HG3 ARG 71 far 0 98 0 - 8.5-12.2 HG2 ARG 26 - HG3 ARG 71 far 0 100 0 - 9.1-18.5 HG3 ARG 84 - HG3 ARG 71 far 0 68 0 - 9.3-35.7 HD2 LYS 73 - HG3 ARG 71 far 0 98 0 - 9.4-12.5 HG2 ARG 84 - HG3 ARG 71 far 0 68 0 - 9.8-34.7 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 7 assignments used, quality = 1.00: * HD2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 27 - HG3 ARG 71 far 6 60 10 - 4.7-12.0 HD3 ARG 27 - HG3 ARG 71 far 0 60 0 - 5.9-12.9 HD3 ARG 23 - HG3 ARG 71 far 0 71 0 - 7.1-15.0 HD2 ARG 23 - HG3 ARG 71 far 0 71 0 - 7.7-15.3 HD2 ARG 82 - HG3 ARG 71 far 0 99 0 - 8.4-30.9 HD3 ARG 84 - HG3 ARG 71 far 0 98 0 - 9.8-36.4 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (3.20, 1.75, 28.82 ppm; 4.06 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 70 + HG3 ARG 71 OK 33 99 45 73 3.1-7.9 2927/1.8=21, 5833/779=14...(19) HD3 ARG 70 + HG3 ARG 71 OK 32 100 45 72 4.1-8.2 2927/1.8=18, ~2927=15...(18) HD3 ARG 66 - HG3 ARG 71 far 0 95 0 - 6.7-12.8 HD2 ARG 66 - HG3 ARG 71 far 0 97 0 - 7.4-12.5 HD2 ARG 26 - HG3 ARG 71 far 0 68 0 - 9.7-19.0 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 30 assignments used, quality = 1.00: * HA ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.4-4.1 2902=77, 2901/3.0=39...(35) HA GLU 25 - HD2 ARG 27 far 5 52 10 - 5.4-9.1 HA ALA 63 - HD2 ARG 82 far 4 86 5 - 5.1-36.8 HA ARG 26 - HD3 ARG 27 far 0 58 0 - 6.2-9.1 HA ARG 26 - HD3 ARG 84 far 0 96 0 - 6.4-43.6 HA GLU 25 - HD3 ARG 27 far 0 52 0 - 6.5-9.1 HA ARG 26 - HD2 ARG 27 far 0 58 0 - 6.8-8.4 HA ARG 26 - HD2 ARG 23 far 0 68 0 - 7.1-11.0 HA GLU 25 - HD2 ARG 71 far 0 95 0 - 7.1-16.8 HA ARG 26 - HD3 ARG 23 far 0 68 0 - 7.3-11.1 HA ARG 71 - HD3 ARG 23 far 0 71 0 - 7.4-16.0 HA ARG 26 - HD3 ARG 17 far 0 80 0 - 7.9-22.7 HA ALA 63 - HD3 ARG 27 far 0 51 0 - 8.0-13.2 HA ARG 26 - HD2 ARG 84 far 0 97 0 - 8.1-44.0 HA ARG 26 - HD2 ARG 17 far 0 80 0 - 8.1-22.8 HA ALA 63 - HD3 ARG 84 far 0 89 0 - 8.2-42.2 HA GLU 25 - HD3 ARG 23 far 0 62 0 - 8.2-10.8 HA ARG 71 - HD2 ARG 27 far 0 60 0 - 8.3-14.4 HA GLU 25 - HD3 ARG 84 far 0 91 0 - 8.4-38.9 HA ALA 63 - HD2 ARG 27 far 0 51 0 - 8.4-12.3 HA GLU 25 - HD3 ARG 17 far 0 74 0 - 8.7-18.9 HA ARG 71 - HD3 ARG 17 far 0 83 0 - 8.9-29.5 HA GLU 25 - HD2 ARG 23 far 0 62 0 - 9.0-10.8 HA ARG 71 - HD2 ARG 23 far 0 71 0 - 9.2-16.5 HA ARG 71 - HD3 ARG 27 far 0 60 0 - 9.3-15.0 HA ARG 26 - HD2 ARG 71 far 0 99 0 - 9.3-19.7 HA ALA 63 - HD2 ARG 71 far 0 93 0 - 9.4-13.0 HA ARG 71 - HD3 ARG 84 far 0 98 0 - 9.5-33.1 HA ALA 63 - HD2 ARG 84 far 0 91 0 - 9.6-42.1 HA ARG 71 - HD2 ARG 17 far 0 83 0 - 9.9-30.8 Violated in 4 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.28 A): 12 out of 69 assignments used, quality = 1.00: * HB2 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.0-4.2 3.5=80, 3.0/2937=39...(30) HB3 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.1-4.2 3.5=80, 3.0/2937=39...(30) HB2 ARG 17 + HD2 ARG 17 OK 73 74 100 99 2.1-3.9 3.6=76, 1161/1.8=24...(42) HB2 ARG 17 + HD3 ARG 17 OK 73 74 100 99 2.1-3.8 3.6=76, 1161/1.8=24...(42) HB3 ARG 23 + HD2 ARG 23 OK 69 70 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB3 ARG 23 + HD3 ARG 23 OK 69 70 100 99 2.2-3.6 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD3 ARG 23 OK 68 69 100 99 2.0-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD2 ARG 23 OK 68 69 100 99 2.3-3.7 3.5=80, 1287/2.9=30...(33) HB2 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.3-4.0 3.5=80, 1448/3.0=10...(58) HB2 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.2-4.2 3.5=80, 1448/3.0=10...(58) HB3 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.1-4.2 3.5=80, 1448/3.0=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.0-3.8 3.5=80, 1448/3.0=10...(58) HB2 ARG 23 - HD2 ARG 71 far 10 99 10 - 3.5-16.2 HB2 ARG 27 - HD2 ARG 71 far 5 100 5 - 4.7-14.3 HB3 ARG 23 - HD2 ARG 71 far 5 100 5 - 4.1-16.0 HB2 LYS 75 - HD2 ARG 71 far 5 97 5 - 4.5-15.2 HB2 ARG 26 - HD2 ARG 23 far 4 39 10 - 4.3-9.9 HB2 ARG 66 - HD2 ARG 82 far 3 68 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 3 32 10 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 2 39 5 - 4.5-10.1 HB3 ARG 26 - HD3 ARG 27 far 0 31 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 4.9-10.8 HB3 ARG 23 - HD3 ARG 27 far 0 59 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 37 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 32 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 58 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 59 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 37 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 58 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 61 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 31 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 59 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 95 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 72 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 60 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 65 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 60 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 76 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 66 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 60 0 - 8.1-30.5 HB ILE 89 - HD2 ARG 84 far 0 58 0 - 8.3-20.3 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 66 0 - 8.4-25.7 HB2 ARG 23 - HD3 ARG 84 far 0 97 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 73 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 63 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 45 0 - 9.2-23.0 HB2 ARG 23 - HD2 ARG 84 far 0 98 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 45 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 96 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 97 0 - 9.6-40.8 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 83 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 98 0 - 9.9-34.6 HB ILE 89 - HD3 ARG 84 far 0 56 0 - 10.0-19.8 HB2 LYS 75 - HD2 ARG 27 far 0 55 0 - 10.0-23.8 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 67 assignments used, quality = 1.00: HB2 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.0-4.2 3.5=80, 3.0/2937=39...(30) * HB3 ARG 71 + HD2 ARG 71 OK 98 100 100 98 2.1-4.2 3.5=80, 3.0/2937=39...(30) HB2 ARG 17 + HD2 ARG 17 OK 72 72 100 99 2.1-3.9 3.6=76, 1161/1.8=23...(42) HB2 ARG 17 + HD3 ARG 17 OK 72 72 100 99 2.1-3.8 3.6=76, 1161/1.8=23...(42) HB3 ARG 23 + HD2 ARG 23 OK 68 69 100 99 2.1-3.9 3.5=80, 1287/2.9=30...(33) HB3 ARG 23 + HD3 ARG 23 OK 68 69 100 99 2.2-3.6 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD3 ARG 23 OK 67 68 100 99 2.0-3.9 3.5=80, 1287/2.9=30...(33) HB2 ARG 23 + HD2 ARG 23 OK 67 68 100 99 2.3-3.7 3.5=80, 1287/2.9=30...(33) HB3 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.1-4.2 3.5=80, 1448/3.0=10...(58) HB3 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.0-3.8 3.5=80, 1448/3.0=10...(58) HB2 ARG 27 + HD2 ARG 27 OK 59 60 100 98 2.3-4.0 3.5=80, 1448/3.0=10...(58) HB2 ARG 27 + HD3 ARG 27 OK 59 60 100 98 2.2-4.2 3.5=80, 1448/3.0=10...(58) HB2 ARG 23 - HD2 ARG 71 far 10 99 10 - 3.5-16.2 HB2 ARG 27 - HD2 ARG 71 far 5 100 5 - 4.7-14.3 HB3 ARG 23 - HD2 ARG 71 far 5 99 5 - 4.1-16.0 HB2 LYS 75 - HD2 ARG 71 far 5 97 5 - 4.5-15.2 HB2 ARG 26 - HD2 ARG 23 far 4 41 10 - 4.3-9.9 HB2 ARG 66 - HD2 ARG 82 far 4 71 5 - 3.3-31.8 HB2 ARG 26 - HD3 ARG 27 far 3 34 10 - 4.3-8.1 HB2 ARG 26 - HD3 ARG 23 far 2 41 5 - 4.5-10.1 HB3 ARG 26 - HD3 ARG 27 far 0 32 0 - 4.8-8.7 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 4.9-10.8 HB3 ARG 23 - HD3 ARG 27 far 0 58 0 - 4.9-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 39 0 - 5.2-9.8 HB2 ARG 26 - HD2 ARG 27 far 0 34 0 - 5.3-8.0 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.4-10.7 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 5.5-11.3 HB2 ARG 23 - HD3 ARG 27 far 0 58 0 - 5.5-10.1 HB3 ARG 23 - HD2 ARG 27 far 0 58 0 - 5.6-10.6 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.7-11.6 HB3 ARG 26 - HD3 ARG 23 far 0 39 0 - 5.7-9.7 HB2 ARG 23 - HD2 ARG 27 far 0 58 0 - 5.7-11.1 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 5.7-13.8 HB2 ARG 26 - HD3 ARG 84 far 0 64 0 - 5.8-45.0 HB3 ARG 26 - HD2 ARG 27 far 0 32 0 - 5.9-8.5 HB3 ARG 26 - HD3 ARG 84 far 0 61 0 - 6.3-43.9 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 6.3-12.3 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 6.4-12.4 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.5-12.1 HB2 ARG 17 - HD2 ARG 71 far 0 93 0 - 6.7-28.0 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.2-14.1 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 7.2-12.9 HB2 ARG 26 - HD2 ARG 84 far 0 66 0 - 7.3-45.5 HB2 ARG 66 - HD3 ARG 84 far 0 74 0 - 7.4-37.1 HB3 PRO 34 - HD3 ARG 17 far 0 62 0 - 7.5-29.6 HB2 ARG 26 - HD2 ARG 71 far 0 68 0 - 7.6-18.3 HB3 ARG 26 - HD2 ARG 84 far 0 63 0 - 7.8-44.4 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.9-14.1 HB2 ARG 66 - HD2 ARG 71 far 0 78 0 - 8.0-12.5 HB2 LYS 75 - HD3 ARG 23 far 0 65 0 - 8.0-24.2 HB3 PRO 34 - HD2 ARG 17 far 0 62 0 - 8.1-30.5 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 8.4-13.9 HB2 LYS 75 - HD2 ARG 23 far 0 65 0 - 8.4-25.7 HB2 ARG 23 - HD3 ARG 84 far 0 96 0 - 8.7-40.5 HB2 ARG 66 - HD2 ARG 84 far 0 76 0 - 8.8-37.0 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 9.0-14.2 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 9.0-29.1 HB3 ARG 26 - HD2 ARG 71 far 0 65 0 - 9.2-19.7 HB3 ARG 26 - HD2 ARG 17 far 0 47 0 - 9.2-23.0 HB2 ARG 23 - HD2 ARG 84 far 0 97 0 - 9.4-41.7 HB3 ARG 26 - HD3 ARG 17 far 0 47 0 - 9.4-23.1 HB2 ARG 71 - HD2 ARG 82 far 0 96 0 - 9.5-29.4 HB3 ARG 23 - HD3 ARG 84 far 0 97 0 - 9.6-40.8 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 9.8-29.5 HB3 ARG 71 - HD3 ARG 17 far 0 83 0 - 9.9-27.3 HB2 ARG 71 - HD3 ARG 84 far 0 98 0 - 9.9-34.6 HB2 LYS 75 - HD2 ARG 27 far 0 54 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (1.62, 3.14, 43.10 ppm; 3.02 A): 13 out of 59 assignments used, quality = 1.00: * HG2 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 17 + HD2 ARG 17 OK 83 83 100 100 2.3-3.0 3.0=100 HG3 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 2.3-3.0 3.0=100 HG2 ARG 17 + HD3 ARG 17 OK 83 83 100 100 2.3-3.0 3.0=100 HG3 ARG 84 + HD2 ARG 84 OK 66 66 100 100 2.2-3.0 2.9=100 HG2 ARG 84 + HD2 ARG 84 OK 66 66 100 100 2.4-3.0 2.9=100 HG2 ARG 84 + HD3 ARG 84 OK 64 64 100 100 2.3-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HG3 ARG 70 - HD2 ARG 71 far 10 99 10 - 3.9-8.4 HB2 LEU 86 - HD2 ARG 84 far 10 98 10 - 3.9-10.7 HG3 ARG 27 - HD3 ARG 23 far 6 62 10 - 3.6-12.1 HG2 ARG 26 - HD3 ARG 84 far 5 98 5 - 4.5-43.6 HG2 ARG 27 - HD2 ARG 23 far 3 63 5 - 3.6-11.5 HG2 ARG 27 - HD3 ARG 23 far 3 63 5 - 4.3-11.5 HG3 ARG 27 - HD2 ARG 23 far 3 62 5 - 4.2-12.6 HG3 ARG 27 - HD2 ARG 71 far 0 95 0 - 4.7-13.8 HG3 ARG 84 - HD2 ARG 82 far 0 61 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 61 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 78 0 - 5.1-11.1 HB2 LEU 86 - HD3 ARG 84 far 0 97 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 71 0 - 5.3-10.9 HG2 ARG 27 - HD2 ARG 71 far 0 96 0 - 5.6-13.1 HG2 ARG 26 - HD3 ARG 23 far 0 71 0 - 5.7-10.5 HG2 ARG 71 - HD3 ARG 23 far 0 71 0 - 5.8-16.1 HG2 ARG 26 - HD2 ARG 27 far 0 60 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 99 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 80 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 60 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 60 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 96 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 92 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 95 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 83 0 - 7.2-23.7 HG2 ARG 71 - HD3 ARG 27 far 0 60 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 83 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 73 0 - 7.5-18.1 HG2 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.6-15.9 HG2 ARG 71 - HD2 ARG 82 far 0 96 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 78 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 92 0 - 7.7-24.0 HD3 LYS 32 - HD2 ARG 17 far 0 80 0 - 7.7-32.0 HG3 ARG 70 - HD2 ARG 84 far 0 97 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 58 0 - 8.0-16.6 HG3 ARG 70 - HD2 ARG 82 far 0 94 0 - 8.1-27.8 HG2 ARG 17 - HD2 ARG 71 far 0 100 0 - 8.4-28.9 HG2 ARG 26 - HD2 ARG 71 far 0 100 0 - 8.7-21.0 HD2 LYS 32 - HD2 ARG 17 far 0 78 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 58 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 100 0 - 9.0-30.4 HD2 LYS 73 - HD2 ARG 71 far 0 98 0 - 9.6-13.5 HD2 LYS 73 - HD3 ARG 84 far 0 95 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 98 0 - 9.7-13.6 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 50 assignments used, quality = 1.00: * HG3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 77 79 100 97 2.2-4.2 3.6=65, 1167/3.0=19...(35) HB3 ARG 17 + HD2 ARG 17 OK 77 79 100 97 2.4-4.2 3.6=65, 1167/3.0=19...(35) HB3 ARG 82 + HD2 ARG 82 OK 77 86 100 89 2.1-4.2 3.6=62, 5479/3.0=49...(7) HB2 ARG 84 + HD2 ARG 84 OK 66 68 100 97 2.3-3.7 3.5=69, 1.8/3410=35...(24) HB2 ARG 84 + HD3 ARG 84 OK 65 67 100 97 2.2-4.2 3.5=69, 1.8/3410=35...(24) HG3 ARG 26 - HD3 ARG 84 far 5 98 5 - 3.8-42.3 HG3 ARG 26 - HD3 ARG 23 far 4 70 5 - 4.3-10.4 HB2 ARG 84 - HD2 ARG 82 far 3 64 5 - 3.9-12.0 HB3 LYS 85 - HD2 ARG 84 far 3 58 5 - 3.2-9.0 HB3 LYS 85 - HD3 ARG 84 far 3 56 5 - 4.4-9.3 HG3 ARG 71 - HD2 ARG 27 far 0 60 0 - 4.7-12.0 HG3 ARG 26 - HD2 ARG 27 far 0 60 0 - 4.9-9.6 HB3 ARG 82 - HD3 ARG 84 far 0 89 0 - 4.9-11.0 HG3 ARG 26 - HD3 ARG 27 far 0 60 0 - 5.0-10.3 HB3 ARG 82 - HD2 ARG 84 far 0 91 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 70 0 - 5.2-10.3 HG3 ARG 26 - HD2 ARG 84 far 0 99 0 - 5.5-42.8 HB3 LYS 32 - HD3 ARG 17 far 0 58 0 - 5.6-30.5 HG3 ARG 71 - HD3 ARG 27 far 0 60 0 - 5.9-12.9 HB3 LYS 85 - HD2 ARG 71 far 0 60 0 - 6.4-35.9 HB3 LYS 32 - HD2 ARG 17 far 0 58 0 - 6.9-31.0 HB3 LYS 73 - HD2 ARG 82 far 0 61 0 - 6.9-22.1 HB ILE 33 - HD3 ARG 17 far 0 68 0 - 6.9-24.8 HG3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 95 0 - 7.1-39.0 HB3 ARG 17 - HD2 ARG 71 far 0 99 0 - 7.2-28.1 HB2 LYS 32 - HD3 ARG 17 far 0 58 0 - 7.2-29.3 HB2 PRO 34 - HD3 ARG 17 far 0 45 0 - 7.5-29.4 HB3 ARG 82 - HD2 ARG 71 far 0 93 0 - 7.5-31.0 HG3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.7-15.3 HB2 PRO 34 - HD2 ARG 17 far 0 45 0 - 7.8-29.8 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.8-11.5 HB ILE 33 - HD2 ARG 17 far 0 68 0 - 7.9-25.3 HG3 ARG 26 - HD2 ARG 17 far 0 82 0 - 8.4-22.0 HB2 LYS 32 - HD2 ARG 17 far 0 58 0 - 8.4-29.8 HB3 LYS 85 - HD2 ARG 82 far 0 54 0 - 8.4-13.7 HG3 ARG 71 - HD2 ARG 82 far 0 96 0 - 8.4-30.9 HB3 LYS 73 - HD3 ARG 84 far 0 64 0 - 8.5-26.5 HG3 ARG 26 - HD2 ARG 71 far 0 100 0 - 8.6-19.7 HB ILE 33 - HD3 ARG 27 far 0 47 0 - 8.6-11.3 HB ILE 33 - HD2 ARG 27 far 0 47 0 - 8.7-11.2 HG3 ARG 26 - HD3 ARG 17 far 0 82 0 - 8.7-22.2 HG2 PRO 34 - HD3 ARG 17 far 0 79 0 - 8.9-29.5 HB3 LYS 85 - HD3 ARG 27 far 0 29 0 - 9.0-38.4 HB3 LYS 85 - HD2 ARG 27 far 0 29 0 - 9.7-37.2 HB2 LYS 32 - HD3 ARG 27 far 0 40 0 - 9.7-13.3 HB3 LYS 73 - HD2 ARG 84 far 0 66 0 - 9.7-26.7 HG3 ARG 71 - HD3 ARG 84 far 0 98 0 - 9.8-36.4 HG2 PRO 34 - HD2 ARG 17 far 0 79 0 - 9.8-28.8 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 44 assignments used, quality = 1.00: * HD3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 70 - HD2 ARG 71 far 5 100 5 - 3.5-9.6 HD3 ARG 66 - HD2 ARG 82 far 4 88 5 - 2.5-33.7 HD2 ARG 26 - HD3 ARG 84 far 3 64 5 - 3.0-43.8 HD3 ARG 26 - HD3 ARG 23 far 0 43 0 - 4.1-10.4 HD2 ARG 26 - HD2 ARG 84 far 0 66 0 - 4.2-44.3 HD2 ARG 66 - HD2 ARG 82 far 0 90 0 - 4.2-34.5 HD2 ARG 70 - HD2 ARG 71 far 0 99 0 - 4.2-9.0 HD3 ARG 70 - HD3 ARG 84 far 0 98 0 - 4.4-34.6 HD3 ARG 26 - HD3 ARG 84 far 0 67 0 - 4.7-43.7 HD2 ARG 26 - HD2 ARG 27 far 0 34 0 - 5.0-10.5 HD2 ARG 26 - HD3 ARG 23 far 0 41 0 - 5.0-10.7 HD2 ARG 26 - HD3 ARG 27 far 0 34 0 - 5.0-10.7 HD2 ARG 26 - HD2 ARG 23 far 0 41 0 - 5.1-10.6 HD3 ARG 26 - HD2 ARG 23 far 0 43 0 - 5.3-11.2 HD3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.5-14.1 HD3 ARG 26 - HD3 ARG 27 far 0 35 0 - 5.6-11.7 HD2 ARG 70 - HD3 ARG 84 far 0 97 0 - 5.7-34.7 HD3 ARG 26 - HD2 ARG 27 far 0 35 0 - 5.8-10.8 HD3 ARG 70 - HD2 ARG 84 far 0 99 0 - 5.8-34.7 HD3 ARG 26 - HD2 ARG 84 far 0 68 0 - 5.8-44.3 HD2 ARG 70 - HD2 ARG 82 far 0 94 0 - 5.9-29.0 HD3 ARG 71 - HD2 ARG 23 far 0 71 0 - 6.2-16.2 HD3 ARG 70 - HD2 ARG 82 far 0 95 0 - 6.2-28.5 HD3 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.4-15.4 HD3 ARG 71 - HD3 ARG 23 far 0 71 0 - 6.6-16.9 HD2 ARG 70 - HD2 ARG 84 far 0 98 0 - 7.2-34.7 HD3 ARG 70 - HD2 ARG 27 far 0 59 0 - 7.8-16.7 HD3 ARG 71 - HD3 ARG 17 far 0 83 0 - 8.2-29.8 HD2 ARG 26 - HD2 ARG 17 far 0 50 0 - 8.2-22.0 HD3 ARG 70 - HD3 ARG 27 far 0 59 0 - 8.4-17.9 HD3 ARG 66 - HD3 ARG 84 far 0 91 0 - 8.6-37.1 HD3 ARG 66 - HD2 ARG 71 far 0 95 0 - 8.9-14.0 HD2 ARG 26 - HD2 ARG 71 far 0 68 0 - 9.0-21.4 HD2 ARG 26 - HD3 ARG 17 far 0 50 0 - 9.0-22.4 HD2 ARG 66 - HD3 ARG 84 far 0 93 0 - 9.1-38.1 HD3 ARG 71 - HD2 ARG 17 far 0 83 0 - 9.2-31.1 HD2 ARG 70 - HD2 ARG 27 far 0 58 0 - 9.3-17.7 HD3 ARG 71 - HD2 ARG 82 far 0 96 0 - 9.6-31.3 HD2 ARG 70 - HD3 ARG 27 far 0 58 0 - 9.6-18.9 HD3 ARG 26 - HD2 ARG 17 far 0 52 0 - 9.7-22.3 HD3 ARG 66 - HD2 ARG 84 far 0 92 0 - 9.7-37.3 HD2 ARG 26 - HD2 ARG 82 far 0 61 0 - 9.8-39.8 HD2 ARG 66 - HD2 ARG 71 far 0 97 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (4.08, 3.20, 43.10 ppm; 4.44 A): 7 out of 15 assignments used, quality = 1.00: * HA ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.0-5.0 4.7=86, 2902/1.8=78...(45) HA ARG 26 + HD3 ARG 26 OK 68 68 100 100 3.3-5.5 4.8=80, 1363/3.0=40...(57) HA ARG 26 + HD2 ARG 26 OK 66 66 100 100 2.3-5.5 4.8=80, 1363/3.0=40...(57) HA ARG 71 + HD3 ARG 70 OK 38 59 65 98 5.2-7.9 ~307=35, 5395/3.0=30...(23) HA ALA 63 + HD2 ARG 66 OK 33 48 70 99 2.4-6.7 4684/3.4=60, 5369/3.4=55...(12) HA ALA 63 + HD3 ARG 66 OK 30 46 65 99 2.1-6.9 4684/3.4=60, 5369/3.4=55...(11) HA ARG 71 + HD2 ARG 70 OK 26 58 45 98 5.1-7.6 ~307=35, 5395/3.0=30...(23) HA ALA 63 - HD3 ARG 70 far 0 50 0 - 6.5-11.7 HA GLU 25 - HD2 ARG 26 far 0 60 0 - 6.5-8.6 HA ALA 63 - HD2 ARG 70 far 0 50 0 - 6.6-11.0 HA GLU 25 - HD3 ARG 71 far 0 95 0 - 6.9-16.2 HA GLU 25 - HD3 ARG 26 far 0 62 0 - 7.0-8.3 HA ALA 63 - HD3 ARG 71 far 0 93 0 - 9.1-13.2 HA ARG 26 - HD3 ARG 71 far 0 99 0 - 9.2-19.3 HA ARG 71 - HD3 ARG 66 far 0 54 0 - 9.8-13.5 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 41 assignments used, quality = 1.00: HB3 ARG 71 + HD3 ARG 71 OK 96 100 100 96 2.1-4.1 3.5=66, ~2937=20...(42) * HB2 ARG 71 + HD3 ARG 71 OK 96 100 100 96 2.5-3.9 3.5=66, ~2937=20...(42) HB2 ARG 26 + HD3 ARG 26 OK 37 39 100 95 2.2-4.2 3.5=70, 3.0/2948=10...(56) HB2 ARG 26 + HD2 ARG 26 OK 36 37 100 95 2.7-3.8 3.5=70, 3.0/2948=10...(56) HB3 ARG 26 + HD3 ARG 26 OK 35 37 100 95 2.0-3.7 3.5=70, 3.0/2948=10...(56) HB3 ARG 26 + HD2 ARG 26 OK 34 36 100 95 2.1-4.2 3.5=70, 3.0/2948=10...(56) HB2 ARG 66 + HD2 ARG 66 OK 34 36 100 93 2.0-4.0 3.4=71, ~2701=17...(17) HB2 ARG 66 + HD3 ARG 66 OK 32 35 100 93 2.1-3.8 3.4=71, ~2701=17...(17) HB2 ARG 66 - HD3 ARG 70 poor 9 38 25 - 3.4-9.7 HB3 ARG 23 - HD3 ARG 26 far 7 70 10 - 3.9-8.8 HB2 ARG 27 - HD3 ARG 71 far 5 100 5 - 4.0-14.1 HB2 ARG 23 - HD3 ARG 71 far 5 99 5 - 4.1-15.4 HB2 LYS 75 - HD3 ARG 71 far 5 97 5 - 3.9-15.8 HB2 ARG 27 - HD3 ARG 26 far 4 71 5 - 4.1-8.9 HB2 ARG 27 - HD2 ARG 26 far 3 68 5 - 3.5-8.5 HB3 ARG 71 - HD2 ARG 70 far 3 58 5 - 4.2-9.2 HB2 ARG 66 - HD2 ARG 70 far 2 37 5 - 2.8-9.7 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 69 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 67 0 - 4.7-9.2 HB2 ARG 23 - HD2 ARG 26 far 0 66 0 - 4.9-9.2 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 4.9-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.2-9.5 HB3 ARG 23 - HD3 ARG 71 far 0 100 0 - 5.3-15.5 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-8.7 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.3-8.3 HB2 LYS 75 - HD3 ARG 70 far 0 55 0 - 6.0-14.8 HB2 LYS 75 - HD2 ARG 70 far 0 54 0 - 6.5-14.5 HB2 ARG 17 - HD3 ARG 71 far 0 95 0 - 7.0-27.7 HB2 ARG 66 - HD3 ARG 71 far 0 76 0 - 7.6-12.3 HB2 ARG 26 - HD3 ARG 71 far 0 65 0 - 7.9-17.9 HB2 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.6-12.8 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 62 0 - 9.3-20.4 HB3 ARG 26 - HD3 ARG 71 far 0 63 0 - 9.3-19.4 HB2 ARG 17 - HD2 ARG 26 far 0 60 0 - 9.4-20.4 HB3 ARG 71 - HD3 ARG 66 far 0 54 0 - 9.6-14.1 HB2 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.7-16.6 HB2 ARG 17 - HD2 ARG 70 far 0 51 0 - 9.9-31.1 HB3 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.9-15.7 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 41 assignments used, quality = 1.00: * HB3 ARG 71 + HD3 ARG 71 OK 96 100 100 96 2.1-4.1 3.5=66, ~2937=20...(42) HB2 ARG 71 + HD3 ARG 71 OK 96 100 100 96 2.5-3.9 3.5=66, ~2937=20...(42) HB2 ARG 26 + HD3 ARG 26 OK 39 41 100 95 2.2-4.2 3.5=70, 3.0/2948=10...(56) HB2 ARG 26 + HD2 ARG 26 OK 37 39 100 95 2.7-3.8 3.5=70, 3.0/2948=10...(56) HB3 ARG 26 + HD3 ARG 26 OK 37 39 100 95 2.0-3.7 3.5=70, 3.0/2948=10...(56) HB3 ARG 26 + HD2 ARG 26 OK 36 37 100 95 2.1-4.2 3.5=70, 3.0/2948=10...(56) HB2 ARG 66 + HD2 ARG 66 OK 35 37 100 93 2.0-4.0 3.4=71, ~2701=17...(17) HB2 ARG 66 + HD3 ARG 66 OK 34 36 100 93 2.1-3.8 3.4=71, ~2701=17...(17) HB2 ARG 66 - HD3 ARG 70 poor 10 39 25 - 3.4-9.7 HB3 ARG 23 - HD3 ARG 26 far 7 69 10 - 3.9-8.8 HB2 ARG 27 - HD3 ARG 71 far 5 100 5 - 4.0-14.1 HB2 ARG 23 - HD3 ARG 71 far 5 99 5 - 4.1-15.4 HB2 LYS 75 - HD3 ARG 71 far 5 97 5 - 3.9-15.8 HB2 ARG 27 - HD3 ARG 26 far 4 71 5 - 4.1-8.9 HB2 ARG 27 - HD2 ARG 26 far 3 68 5 - 3.5-8.5 HB3 ARG 71 - HD2 ARG 70 far 3 58 5 - 4.2-9.2 HB2 ARG 66 - HD2 ARG 70 far 2 39 5 - 2.8-9.7 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 4.6-13.7 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 4.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 68 0 - 4.7-9.6 HB3 ARG 23 - HD2 ARG 26 far 0 66 0 - 4.7-9.2 HB2 ARG 23 - HD2 ARG 26 far 0 66 0 - 4.9-9.2 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 4.9-9.8 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.2-9.5 HB3 ARG 23 - HD3 ARG 71 far 0 99 0 - 5.3-15.5 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-8.7 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.3-8.3 HB2 LYS 75 - HD3 ARG 70 far 0 54 0 - 6.0-14.8 HB2 LYS 75 - HD2 ARG 70 far 0 53 0 - 6.5-14.5 HB2 ARG 17 - HD3 ARG 71 far 0 93 0 - 7.0-27.7 HB2 ARG 66 - HD3 ARG 71 far 0 78 0 - 7.6-12.3 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 7.9-17.9 HB2 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.6-12.8 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.3-13.8 HB2 ARG 17 - HD3 ARG 26 far 0 61 0 - 9.3-20.4 HB3 ARG 26 - HD3 ARG 71 far 0 65 0 - 9.3-19.4 HB2 ARG 17 - HD2 ARG 26 far 0 59 0 - 9.4-20.4 HB3 ARG 71 - HD3 ARG 66 far 0 54 0 - 9.6-14.1 HB2 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.7-16.6 HB2 ARG 17 - HD2 ARG 70 far 0 50 0 - 9.9-31.1 HB3 ARG 27 - HD3 ARG 70 far 0 59 0 - 9.9-15.7 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 54 assignments used, quality = 1.00: * HG2 ARG 71 + HD3 ARG 71 OK 98 100 100 98 2.2-3.0 3.0=95, 2.8/2946=11...(30) HG2 ARG 26 + HD3 ARG 26 OK 70 71 100 99 2.3-3.0 3.0=99, 1362/4.8=8...(29) HG2 ARG 26 + HD2 ARG 26 OK 68 68 100 99 2.2-3.0 3.0=99, 1362/4.8=8...(28) HG3 ARG 70 + HD3 ARG 70 OK 56 57 100 99 2.4-3.0 3.0=99, 2873/5.3=14...(8) HG3 ARG 70 + HD2 ARG 70 OK 56 56 100 99 2.2-3.0 3.0=99, 2873/5.3=14...(8) HG3 ARG 70 - HD3 ARG 71 poor 20 99 20 - 3.6-9.3 HG2 ARG 71 - HD2 ARG 70 poor 15 58 25 - 3.2-8.2 HG2 ARG 71 - HD3 ARG 70 poor 11 59 35 54 2.9-8.7 2869/3.0=12, 2927/1.8=10...(12) HG2 ARG 27 - HD3 ARG 26 far 6 63 10 - 3.3-10.6 HG2 ARG 27 - HD2 ARG 26 far 6 61 10 - 3.1-10.1 HG3 ARG 27 - HD2 ARG 26 far 6 60 10 - 2.3-10.3 HG3 ARG 27 - HD3 ARG 71 far 5 95 5 - 4.0-14.2 HG3 ARG 27 - HD3 ARG 26 far 3 62 5 - 3.4-10.3 HG3 ARG 84 - HD3 ARG 70 far 2 33 5 - 3.5-34.2 HG2 ARG 84 - HD3 ARG 70 far 2 33 5 - 4.0-32.9 HB2 LEU 86 - HD2 ARG 70 far 0 57 0 - 4.6-38.6 HG3 ARG 84 - HD2 ARG 70 far 0 33 0 - 4.8-34.2 HG3 ARG 70 - HD2 ARG 66 far 0 54 0 - 5.2-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 96 0 - 5.3-13.8 HB2 LEU 86 - HD3 ARG 70 far 0 58 0 - 5.3-39.0 HG3 ARG 84 - HD2 ARG 26 far 0 39 0 - 5.6-42.5 HG2 ARG 84 - HD2 ARG 70 far 0 33 0 - 5.6-32.9 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 5.7-10.6 HG2 ARG 84 - HD2 ARG 26 far 0 39 0 - 5.9-42.0 HD3 LYS 73 - HD3 ARG 70 far 0 55 0 - 6.6-12.1 HD2 LYS 73 - HD2 ARG 70 far 0 55 0 - 6.7-11.7 HG3 ARG 84 - HD3 ARG 26 far 0 41 0 - 7.4-42.6 HG LEU 86 - HD2 ARG 70 far 0 40 0 - 7.4-39.7 HG2 ARG 84 - HD3 ARG 26 far 0 41 0 - 7.6-41.9 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 7.6-13.7 HD2 LYS 73 - HD3 ARG 70 far 0 55 0 - 7.7-11.8 HD3 LYS 73 - HD2 ARG 70 far 0 55 0 - 7.8-11.9 HG LEU 86 - HD2 ARG 26 far 0 48 0 - 8.0-50.6 HG3 ARG 17 - HD2 ARG 26 far 0 68 0 - 8.1-22.2 HG2 ARG 26 - HD3 ARG 71 far 0 100 0 - 8.2-20.5 HB3 LEU 51 - HD3 ARG 66 far 0 39 0 - 8.3-14.2 HG2 ARG 17 - HD3 ARG 71 far 0 100 0 - 8.3-29.5 HG2 ARG 71 - HD2 ARG 66 far 0 56 0 - 8.3-13.7 HG LEU 86 - HD3 ARG 70 far 0 41 0 - 8.3-40.2 HG LEU 86 - HD3 ARG 26 far 0 50 0 - 8.4-50.6 HD2 LYS 73 - HD3 ARG 71 far 0 98 0 - 8.5-13.1 HB2 LEU 86 - HD2 ARG 26 far 0 67 0 - 8.6-48.6 HB2 LEU 86 - HD3 ARG 26 far 0 70 0 - 8.7-48.7 HD3 LYS 73 - HD3 ARG 71 far 0 98 0 - 8.8-13.1 HG3 ARG 17 - HD3 ARG 26 far 0 71 0 - 9.1-22.3 HG3 ARG 17 - HD3 ARG 71 far 0 100 0 - 9.1-30.1 HG2 ARG 17 - HD3 ARG 26 far 0 71 0 - 9.1-22.9 HB3 LEU 51 - HD2 ARG 66 far 0 40 0 - 9.2-13.4 HD3 LYS 73 - HD3 ARG 66 far 0 51 0 - 9.5-16.7 HG3 ARG 27 - HD2 ARG 70 far 0 51 0 - 9.6-17.0 HG2 ARG 17 - HD2 ARG 26 far 0 68 0 - 9.7-22.8 HD3 LYS 73 - HD2 ARG 66 far 0 53 0 - 9.7-16.5 HG2 ARG 84 - HD3 ARG 66 far 0 30 0 - 10.0-35.1 HD2 LYS 73 - HD3 ARG 66 far 0 51 0 - 10.0-16.7 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 35 assignments used, quality = 1.00: * HG3 ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 70 70 100 100 2.3-3.0 3.0=100 HG3 ARG 26 + HD2 ARG 26 OK 68 68 100 100 2.2-3.0 3.0=100 HG3 ARG 71 - HD2 ARG 70 poor 15 58 25 - 3.1-7.9 HG3 ARG 71 - HD3 ARG 70 poor 11 59 35 55 4.1-8.2 1.8/2927=11, 2935=9...(13) HB2 ARG 84 - HD2 ARG 26 far 2 41 5 - 4.4-42.6 HB3 ARG 82 - HD3 ARG 70 far 0 50 0 - 5.5-28.0 HB2 LEU 62 - HD2 ARG 66 far 0 55 0 - 5.6-9.2 HB3 ARG 82 - HD3 ARG 66 far 0 46 0 - 5.7-33.5 HB2 LEU 62 - HD3 ARG 66 far 0 53 0 - 5.8-8.7 HB2 ARG 84 - HD3 ARG 70 far 0 35 0 - 5.9-34.2 HB2 ARG 84 - HD3 ARG 26 far 0 43 0 - 6.0-42.7 HB3 LYS 73 - HD3 ARG 70 far 0 33 0 - 6.1-9.5 HB3 LYS 73 - HD2 ARG 70 far 0 33 0 - 6.2-9.4 HB3 ARG 82 - HD2 ARG 70 far 0 50 0 - 6.4-28.3 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 6.7-12.8 HB3 LYS 85 - HD3 ARG 70 far 0 29 0 - 6.7-32.5 HB3 LYS 73 - HD3 ARG 71 far 0 68 0 - 6.7-11.5 HB3 LYS 85 - HD2 ARG 70 far 0 28 0 - 6.9-32.1 HB2 ARG 84 - HD2 ARG 70 far 0 34 0 - 7.1-34.1 HB3 ARG 17 - HD3 ARG 71 far 0 99 0 - 7.3-27.9 HB3 ARG 82 - HD2 ARG 66 far 0 48 0 - 7.3-31.9 HG3 ARG 71 - HD2 ARG 66 far 0 56 0 - 7.4-12.5 HB2 LEU 57 - HD2 ARG 66 far 0 47 0 - 7.5-11.2 HB2 LEU 57 - HD3 ARG 66 far 0 45 0 - 7.7-11.6 HB3 LYS 85 - HD3 ARG 71 far 0 60 0 - 8.0-35.7 HB3 ARG 82 - HD2 ARG 26 far 0 59 0 - 8.1-39.5 HB3 ARG 17 - HD2 ARG 26 far 0 65 0 - 8.2-20.0 HG3 ARG 26 - HD3 ARG 71 far 0 100 0 - 8.4-19.2 HB3 ARG 17 - HD3 ARG 26 far 0 68 0 - 8.6-20.2 HB3 ARG 82 - HD3 ARG 71 far 0 93 0 - 9.0-31.1 HB3 LYS 85 - HD2 ARG 26 far 0 34 0 - 9.5-44.4 HB3 ARG 82 - HD3 ARG 26 far 0 61 0 - 9.6-39.2 HB2 ARG 84 - HD2 ARG 66 far 0 33 0 - 9.6-37.0 HG3 ARG 71 - HD2 ARG 26 far 0 68 0 - 9.7-19.0 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 48 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 84 - HD2 ARG 26 far 3 64 5 - 3.0-43.8 HD2 ARG 71 - HD3 ARG 70 far 3 59 5 - 3.5-9.6 HD2 ARG 82 - HD3 ARG 66 far 3 52 5 - 2.5-33.7 HD3 ARG 23 - HD3 ARG 26 far 0 43 0 - 4.1-10.4 HD2 ARG 84 - HD2 ARG 26 far 0 66 0 - 4.2-44.3 HD2 ARG 82 - HD2 ARG 66 far 0 54 0 - 4.2-34.5 HD2 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.2-9.0 HD3 ARG 84 - HD3 ARG 70 far 0 55 0 - 4.4-34.6 HD3 ARG 84 - HD3 ARG 26 far 0 67 0 - 4.7-43.7 HD2 ARG 27 - HD2 ARG 26 far 0 34 0 - 5.0-10.5 HD3 ARG 23 - HD2 ARG 26 far 0 41 0 - 5.0-10.7 HD3 ARG 27 - HD2 ARG 26 far 0 34 0 - 5.0-10.7 HD2 ARG 23 - HD2 ARG 26 far 0 41 0 - 5.1-10.6 HD2 ARG 23 - HD3 ARG 26 far 0 43 0 - 5.3-11.2 HD2 ARG 27 - HD3 ARG 71 far 0 60 0 - 5.5-14.1 HD3 ARG 27 - HD3 ARG 26 far 0 35 0 - 5.6-11.7 HD3 ARG 84 - HD2 ARG 70 far 0 55 0 - 5.7-34.7 HD2 ARG 27 - HD3 ARG 26 far 0 35 0 - 5.8-10.8 HD2 ARG 84 - HD3 ARG 70 far 0 57 0 - 5.8-34.7 HD2 ARG 84 - HD3 ARG 26 far 0 68 0 - 5.8-44.3 HD2 ARG 82 - HD2 ARG 70 far 0 55 0 - 5.9-29.0 HD2 ARG 23 - HD3 ARG 71 far 0 71 0 - 6.2-16.2 HD2 ARG 82 - HD3 ARG 70 far 0 56 0 - 6.2-28.5 HD3 ARG 27 - HD3 ARG 71 far 0 60 0 - 6.4-15.4 HB2 PHE 48 - HD3 ARG 66 far 0 44 0 - 6.5-12.8 HD3 ARG 23 - HD3 ARG 71 far 0 71 0 - 6.6-16.9 HB2 PHE 48 - HD2 ARG 66 far 0 46 0 - 6.7-12.1 HD2 ARG 84 - HD2 ARG 70 far 0 56 0 - 7.2-34.7 HD2 ARG 27 - HD3 ARG 70 far 0 29 0 - 7.8-16.7 HD3 ARG 17 - HD3 ARG 71 far 0 83 0 - 8.2-29.8 HD2 ARG 17 - HD2 ARG 26 far 0 50 0 - 8.2-22.0 HD3 ARG 27 - HD3 ARG 70 far 0 29 0 - 8.4-17.9 HB2 PHE 48 - HD3 ARG 70 far 0 48 0 - 8.4-14.1 HD3 ARG 84 - HD3 ARG 66 far 0 51 0 - 8.6-37.1 HD2 ARG 71 - HD3 ARG 66 far 0 54 0 - 8.9-14.0 HD2 ARG 71 - HD2 ARG 26 far 0 68 0 - 9.0-21.4 HD3 ARG 17 - HD2 ARG 26 far 0 50 0 - 9.0-22.4 HD3 ARG 84 - HD2 ARG 66 far 0 53 0 - 9.1-38.1 HD2 ARG 17 - HD3 ARG 71 far 0 83 0 - 9.2-31.1 HD2 ARG 27 - HD2 ARG 70 far 0 28 0 - 9.3-17.7 HB2 PHE 48 - HD2 ARG 70 far 0 47 0 - 9.5-14.5 HD2 ARG 82 - HD3 ARG 71 far 0 99 0 - 9.6-31.3 HD3 ARG 27 - HD2 ARG 70 far 0 28 0 - 9.6-18.9 HD2 ARG 17 - HD3 ARG 26 far 0 52 0 - 9.7-22.3 HD2 ARG 84 - HD3 ARG 66 far 0 52 0 - 9.7-37.3 HD2 ARG 82 - HD2 ARG 26 far 0 65 0 - 9.8-39.8 HD2 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.9-14.6 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 2.3-2.8 3.0=100 H LYS 73 + HA2 GLY 72 OK 99 99 100 99 2.7-3.5 3.6=97, 2955/1.8=36...(11) H ARG 69 - HA2 GLY 72 far 15 99 15 - 4.5-7.6 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...(7) H ARG 69 - HA3 GLY 72 far 5 99 5 - 4.7-7.8 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 7 assignments used, quality = 1.00: * HA2 GLY 72 + HA3 GLY 72 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 76 - HA3 GLY 72 far 0 100 0 - 6.0-13.0 HA THR 37 - HA3 GLY 72 far 0 65 0 - 6.1-10.2 HA3 GLY 21 - HA3 GLY 72 far 0 96 0 - 6.5-16.8 HA ARG 66 - HA3 GLY 72 far 0 93 0 - 7.9-11.0 HA2 GLY 21 - HA3 GLY 72 far 0 97 0 - 8.0-15.6 HA ALA 28 - HA3 GLY 72 far 0 100 0 - 9.5-14.0 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...(16) H GLY 72 - HA LYS 73 far 5 98 5 - 4.8-5.5 H ARG 69 - HA LYS 73 far 0 91 0 - 6.4-9.1 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 11 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...(16) HB3 ARG 84 + HA ARG 84 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 85 - HA ARG 84 far 8 77 10 - 4.4-5.7 HB2 LYS 75 - HA LYS 73 far 4 80 5 - 4.0-10.2 HB3 ARG 84 - HA ARG 82 far 0 38 0 - 5.4-8.9 HB ILE 89 - HA LEU 29 far 0 70 0 - 5.5-55.1 HB2 ARG 69 - HA LYS 73 far 0 80 0 - 6.8-9.1 HB2 ARG 17 - HA LEU 29 far 0 56 0 - 7.3-24.1 HB2 LYS 85 - HA ARG 82 far 0 38 0 - 7.7-12.7 HB2 LYS 73 - HA ARG 82 far 0 54 0 - 8.4-21.3 HB2 LYS 85 - HA LEU 29 far 0 51 0 - 9.2-43.8 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 23 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 99 99 100 100 2.6-3.0 3.0=96, 788/3.0=45...(18) HB3 ARG 84 + HA ARG 84 OK 65 65 100 99 2.3-3.0 3.0=97, 4.6/377=17...(24) HB3 ARG 82 + HA ARG 82 OK 47 48 100 100 2.3-3.0 3.0=98, 5479/3.8=33...(11) HB2 LYS 83 - HA ARG 82 poor 19 53 35 - 4.3-5.8 HB ILE 33 - HA LEU 29 poor 14 66 50 42 3.5-5.8 4219/4.9=19, 3.9/5188=10...(6) HB2 LYS 83 - HA ARG 84 far 10 97 10 - 4.4-5.8 HB3 LYS 75 - HA LYS 73 far 10 95 10 - 4.0-9.4 HB2 LYS 85 - HA ARG 84 far 7 65 10 - 4.4-5.7 HB2 LYS 13 - HA LEU 29 far 6 63 10 - 4.3-28.3 HB3 LYS 32 - HA LEU 29 far 0 70 0 - 4.9-7.0 HB2 LYS 32 - HA LEU 29 far 0 70 0 - 5.3-7.2 HB3 ARG 84 - HA ARG 82 far 0 31 0 - 5.4-8.9 HB3 ARG 82 - HA ARG 84 far 0 91 0 - 6.1-8.7 HG3 ARG 26 - HA ARG 84 far 0 55 0 - 6.5-41.6 HB2 ARG 69 - HA LYS 73 far 0 68 0 - 6.8-9.1 HG3 ARG 71 - HA LYS 73 far 0 66 0 - 7.2-9.8 HG3 ARG 26 - HA LEU 29 far 0 35 0 - 7.2-9.2 HB2 LYS 85 - HA ARG 82 far 0 31 0 - 7.7-12.7 HB2 LYS 83 - HA LYS 73 far 0 99 0 - 8.2-25.9 HG2 PRO 34 - HA LEU 29 far 0 55 0 - 8.5-11.2 HB2 PRO 34 - HA LEU 29 far 0 70 0 - 8.8-11.2 HB3 LYS 73 - HA ARG 82 far 0 54 0 - 9.2-20.2 HB2 LYS 85 - HA LEU 29 far 0 42 0 - 9.2-43.8 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 2.1-3.8 3.8=100 HG3 LYS 85 - HA ARG 84 poor 15 65 35 64 3.6-6.7 4.8/377=29, 2.9/6062=25...(6) HG3 LYS 13 - HA LEU 29 far 2 48 5 - 4.4-28.2 HG3 LYS 85 - HA ARG 82 far 0 31 0 - 7.8-13.1 QB ALA 63 - HA ARG 82 far 0 51 0 - 8.8-30.9 HG2 LYS 73 - HA ARG 82 far 0 54 0 - 9.7-22.0 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 21 assignments used, quality = 0.99: * HG3 LYS 73 + HA LYS 73 OK 99 99 100 100 2.2-3.9 3.8=80, 2998/3.0=36...(34) HG2 LYS 83 - HA ARG 84 poor 20 79 25 - 3.8-6.6 HG2 LYS 85 - HA ARG 84 poor 18 93 35 56 3.9-7.1 4.8/377=23, 2.9/6062=21...(5) HG2 LYS 83 - HA ARG 82 poor 16 40 40 - 3.5-6.9 QB ALA 16 - HA LEU 29 poor 9 37 25 - 3.4-21.6 QB ALA 78 - HA LYS 73 far 5 99 5 - 4.6-14.2 QB ALA 77 - HA LYS 73 far 5 93 5 - 4.3-13.2 QB ALA 78 - HA ARG 82 far 3 54 5 - 4.5-10.9 HG3 ARG 69 - HA LYS 73 far 0 94 0 - 5.5-8.7 HG2 LYS 75 - HA LYS 73 far 0 99 0 - 5.6-10.0 HG3 LYS 75 - HA LYS 73 far 0 99 0 - 5.8-8.6 QB ALA 20 - HA LEU 29 far 0 65 0 - 5.8-12.8 HB3 ARG 69 - HA LYS 73 far 0 97 0 - 6.1-9.1 QB ALA 78 - HA ARG 84 far 0 97 0 - 7.8-13.6 QB ALA 20 - HA LYS 73 far 0 95 0 - 7.9-18.4 HG2 LYS 83 - HA LYS 73 far 0 82 0 - 8.0-27.7 HG3 LYS 73 - HA ARG 82 far 0 54 0 - 8.0-22.4 QB ALA 77 - HA ARG 82 far 0 48 0 - 8.4-12.3 HG2 LYS 85 - HA ARG 82 far 0 50 0 - 8.7-13.2 QB ALA 77 - HA ARG 84 far 0 91 0 - 9.6-15.9 HG3 ARG 69 - HA ARG 82 far 0 49 0 - 9.9-25.2 Violated in 7 structures by 0.07 A. Peak 2964 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.43 A): 4 out of 27 assignments used, quality = 1.00: * HD2 LYS 73 + HA LYS 73 OK 98 99 100 99 2.3-4.7 2.9/2963=45, 3019=34...(54) HD3 LYS 73 + HA LYS 73 OK 93 99 95 99 2.1-5.3 2.9/2963=45, 3009=34...(55) HG2 ARG 84 + HA ARG 84 OK 82 83 100 99 2.2-4.0 3.9=68, 3402/3.0=29...(45) HG3 ARG 84 + HA ARG 84 OK 82 83 100 99 3.0-3.9 3.9=68, 3402/3.0=29...(45) HB2 LEU 86 - HA ARG 84 far 5 97 5 - 4.8-8.9 HG3 ARG 84 - HA ARG 82 far 4 42 10 - 4.0-8.6 HB2 LEU 86 - HA LEU 29 far 3 70 5 - 3.6-46.8 HG2 ARG 84 - HA ARG 82 far 2 42 5 - 2.6-8.8 HG LEU 86 - HA ARG 84 far 0 91 0 - 5.2-10.5 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 5.3-9.4 HG LEU 86 - HA LEU 29 far 0 63 0 - 5.4-48.9 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 5.6-9.0 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 5.9-26.3 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 6.2-26.3 HG LEU 86 - HA ARG 82 far 0 48 0 - 6.5-16.1 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 6.9-15.7 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 6.9-9.6 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 7.1-10.2 HG2 ARG 26 - HA ARG 84 far 0 92 0 - 7.1-42.9 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.3-9.9 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.6-10.1 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 7.7-9.5 HD2 LYS 73 - HA ARG 82 far 0 54 0 - 7.9-22.0 HG3 ARG 70 - HA ARG 84 far 0 97 0 - 8.7-30.9 HB3 LEU 62 - HA ARG 82 far 0 36 0 - 8.8-35.3 HD3 LYS 73 - HA ARG 82 far 0 54 0 - 9.2-21.8 HG3 ARG 70 - HA ARG 82 far 0 54 0 - 9.8-26.0 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 27 assignments used, quality = 1.00: HD2 LYS 73 + HA LYS 73 OK 98 99 100 99 2.3-4.7 2.9/2963=45, 3019=34...(54) * HD3 LYS 73 + HA LYS 73 OK 93 99 95 99 2.1-5.3 2.9/2963=45, 3009=34...(55) HG2 ARG 84 + HA ARG 84 OK 82 83 100 99 2.2-4.0 3.9=68, 3402/3.0=29...(45) HG3 ARG 84 + HA ARG 84 OK 82 83 100 99 3.0-3.9 3.9=68, 3402/3.0=29...(45) HB2 LEU 86 - HA ARG 84 far 5 97 5 - 4.8-8.9 HG3 ARG 84 - HA ARG 82 far 4 42 10 - 4.0-8.6 HB2 LEU 86 - HA LEU 29 far 3 70 5 - 3.6-46.8 HG2 ARG 84 - HA ARG 82 far 2 42 5 - 2.6-8.8 HG LEU 86 - HA ARG 84 far 0 91 0 - 5.2-10.5 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 5.3-9.4 HG LEU 86 - HA LEU 29 far 0 63 0 - 5.4-48.9 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 5.6-9.0 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 5.9-26.3 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 6.2-26.3 HG LEU 86 - HA ARG 82 far 0 48 0 - 6.5-16.1 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 6.9-15.7 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 6.9-9.6 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 7.1-10.2 HG2 ARG 26 - HA ARG 84 far 0 92 0 - 7.1-42.9 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.3-9.9 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.6-10.1 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 7.7-9.5 HD2 LYS 73 - HA ARG 82 far 0 54 0 - 7.9-22.0 HG3 ARG 70 - HA ARG 84 far 0 97 0 - 8.7-30.9 HB3 LEU 62 - HA ARG 82 far 0 36 0 - 8.8-35.3 HD3 LYS 73 - HA ARG 82 far 0 54 0 - 9.2-21.8 HG3 ARG 70 - HA ARG 82 far 0 54 0 - 9.8-26.0 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 2.1-3.4 787=100, 788/1.8=90...(23) H GLY 72 + HB2 LYS 73 OK 35 99 40 87 4.4-6.0 4.5/787=44, 3.0/5844=34...(14) H ARG 69 - HB2 LYS 73 far 0 93 0 - 5.3-9.7 H GLY 72 - HB2 LYS 75 far 0 75 0 - 5.4-11.4 H LYS 73 - HB2 LYS 75 far 0 77 0 - 5.4-9.3 H ARG 69 - HB2 LYS 75 far 0 67 0 - 8.2-14.9 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 12 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 poor 19 78 25 - 4.4-5.7 HA LYS 73 - HB2 LYS 75 far 7 74 10 - 4.0-10.2 HA ALA 78 - HB2 LYS 73 far 4 81 5 - 4.4-16.5 HA GLN 79 - HB2 LYS 75 far 0 69 0 - 6.3-13.1 HA GLN 79 - HB2 LYS 73 far 0 96 0 - 7.2-20.0 HA ARG 82 - HB2 LYS 85 far 0 74 0 - 7.7-12.7 HA ALA 78 - HB2 LYS 75 far 0 55 0 - 7.8-11.7 HA ARG 82 - HB2 LYS 73 far 0 98 0 - 8.4-21.3 HA LEU 29 - HB2 LYS 85 far 0 48 0 - 9.2-43.8 HA GLN 79 - HB2 LYS 85 far 0 70 0 - 9.6-19.8 HA ILE 89 - HB2 LYS 85 far 0 65 0 - 9.7-13.4 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 16 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 poor 15 77 20 - 2.7-9.6 HB3 LYS 75 - HB2 LYS 73 far 0 97 0 - 4.7-10.1 HB2 ARG 69 - HB2 LYS 73 far 0 71 0 - 4.8-9.6 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 5.0-7.2 HB2 LYS 83 - HB2 LYS 73 far 0 100 0 - 5.9-24.3 HG3 ARG 71 - HB2 LYS 75 far 0 45 0 - 6.2-14.3 HB2 LYS 83 - HB2 LYS 85 far 0 77 0 - 6.6-10.7 HB2 ARG 69 - HB2 LYS 75 far 0 47 0 - 7.0-14.7 HG3 ARG 71 - HB2 LYS 73 far 0 68 0 - 7.4-10.3 HB3 ARG 82 - HB2 LYS 73 far 0 96 0 - 7.8-21.2 HG3 ARG 26 - HB2 LYS 85 far 0 40 0 - 8.0-43.0 HB3 ARG 82 - HB2 LYS 85 far 0 70 0 - 8.5-14.0 HG3 ARG 26 - HB2 LYS 75 far 0 39 0 - 8.6-25.8 HG3 ARG 71 - HB2 LYS 85 far 0 46 0 - 9.4-35.9 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.48, 1.82, 32.45 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 85 + HB2 LYS 85 OK 48 48 100 100 2.3-3.0 2.9=100 HG2 LYS 73 - HB2 LYS 75 poor 19 77 25 - 2.4-9.8 QB ALA 63 - HB2 LYS 85 far 0 75 0 - 8.2-35.0 Violated in 0 structures by 0.00 A. Peak 2973 from cnoeabs.peaks (1.39, 1.82, 32.45 ppm; 3.42 A): 5 out of 21 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 75 + HB2 LYS 75 OK 77 77 100 100 2.2-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 77 77 100 100 2.2-3.0 2.7=100 HG2 LYS 85 + HB2 LYS 85 OK 73 73 100 100 2.3-3.0 2.9=100 HG3 ARG 69 + HB2 LYS 73 OK 27 97 45 61 2.7-8.5 2816/787=11, 2818/1.8=10...(20) HB3 ARG 69 - HB2 LYS 73 poor 15 99 25 62 4.1-9.9 5983/5061=10, 2802=10...(20) HG3 LYS 73 - HB2 LYS 75 poor 10 77 40 32 2.6-9.8 5892/4.0=5, 3000=3...(14) QB ALA 78 - HB2 LYS 73 far 5 100 5 - 4.0-15.3 HG2 LYS 75 - HB2 LYS 73 far 5 100 5 - 4.3-11.0 HG3 LYS 75 - HB2 LYS 73 far 5 100 5 - 4.8-9.5 QB ALA 77 - HB2 LYS 73 far 5 96 5 - 4.7-14.3 QB ALA 77 - HB2 LYS 75 far 3 69 5 - 4.3-7.4 HG2 LYS 83 - HB2 LYS 85 far 3 60 5 - 4.5-10.5 QB ALA 20 - HB2 LYS 75 far 0 72 0 - 5.1-23.6 HG3 ARG 69 - HB2 LYS 75 far 0 70 0 - 5.2-14.3 QB ALA 78 - HB2 LYS 75 far 0 77 0 - 5.2-10.7 HB3 ARG 69 - HB2 LYS 75 far 0 74 0 - 5.2-14.7 HG2 LYS 83 - HB2 LYS 73 far 0 85 0 - 6.5-25.8 QB ALA 78 - HB2 LYS 85 far 0 78 0 - 7.9-16.8 QB ALA 16 - HB2 LYS 73 far 0 63 0 - 8.3-24.9 QB ALA 20 - HB2 LYS 73 far 0 97 0 - 9.6-18.9 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 19 assignments used, quality = 1.00: HD3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.0-3.6 3.5=100 * HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 LYS 73 - HB2 LYS 75 poor 13 77 40 43 3.7-11.4 2920/4.0=6, ~2982=3...(18) HD3 LYS 73 - HB2 LYS 75 poor 13 77 40 43 2.3-11.3 2920/4.0=8, 1604/4.6=3...(18) HB2 LEU 86 - HB2 LYS 85 poor 13 77 40 41 4.2-7.6 4.0/386=33, 3.1/5262=8...(4) HG LEU 86 - HB2 LYS 85 far 11 70 15 - 4.4-8.5 HG3 ARG 84 - HB2 LYS 85 far 6 63 10 - 4.2-8.8 HG3 ARG 70 - HB2 LYS 73 far 5 100 5 - 5.3-8.8 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.4 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 5.9-13.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.4-10.2 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 7.3-13.1 HG2 ARG 84 - HB2 LYS 73 far 0 89 0 - 8.2-25.1 HG2 ARG 26 - HB2 LYS 85 far 0 72 0 - 8.3-43.5 HG3 ARG 70 - HB2 LYS 85 far 0 78 0 - 8.3-30.8 HG3 ARG 84 - HB2 LYS 73 far 0 89 0 - 9.3-26.2 HG2 ARG 26 - HB2 LYS 75 far 0 70 0 - 9.6-27.1 HG2 ARG 71 - HB2 LYS 85 far 0 74 0 - 9.8-35.0 HG2 ARG 27 - HB2 LYS 75 far 0 55 0 - 10.0-22.9 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 19 assignments used, quality = 1.00: * HD3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.0-3.6 3.5=100 HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 LYS 73 - HB2 LYS 75 poor 13 77 40 43 3.7-11.4 2920/4.0=6, ~2982=3...(18) HD3 LYS 73 - HB2 LYS 75 poor 13 77 40 43 2.3-11.3 2920/4.0=8, 1604/4.6=3...(18) HB2 LEU 86 - HB2 LYS 85 poor 13 77 40 41 4.2-7.6 4.0/386=33, 3.1/5262=8...(4) HG LEU 86 - HB2 LYS 85 far 11 70 15 - 4.4-8.5 HG3 ARG 84 - HB2 LYS 85 far 6 63 10 - 4.2-8.8 HG3 ARG 70 - HB2 LYS 73 far 5 100 5 - 5.3-8.8 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.4 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 5.9-13.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.4-10.2 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 7.3-13.1 HG2 ARG 84 - HB2 LYS 73 far 0 89 0 - 8.2-25.1 HG2 ARG 26 - HB2 LYS 85 far 0 72 0 - 8.3-43.5 HG3 ARG 70 - HB2 LYS 85 far 0 78 0 - 8.3-30.8 HG3 ARG 84 - HB2 LYS 73 far 0 89 0 - 9.3-26.2 HG2 ARG 26 - HB2 LYS 75 far 0 70 0 - 9.6-27.1 HG2 ARG 71 - HB2 LYS 85 far 0 74 0 - 9.8-35.0 HG2 ARG 27 - HB2 LYS 75 far 0 55 0 - 10.0-22.9 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.4-4.8 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.7 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 74 74 100 100 2.2-5.0 5.0=94, 2.9/3118=38...(47) HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.2-5.1 5.0=94, 2.9/3118=38...(46) HE3 LYS 73 - HB2 LYS 75 poor 14 77 45 41 2.4-10.9 3.0/2975=5, 3.0/2975=5...(15) HE2 LYS 73 - HB2 LYS 75 poor 11 77 40 37 2.8-12.1 3.0/2975=5, 3.0/2974=5...(15) HB3 TYR 81 - HB2 LYS 73 far 3 68 5 - 5.3-16.5 HE3 LYS 75 - HB2 LYS 73 far 0 99 0 - 6.5-12.0 HE2 LYS 75 - HB2 LYS 73 far 0 99 0 - 6.5-11.9 HB3 TYR 81 - HB2 LYS 75 far 0 45 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.7 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.4-4.8 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.2-5.0 5.0=94, 2.9/3118=38...(47) HE2 LYS 75 + HB2 LYS 75 OK 72 73 100 100 2.2-5.1 5.0=94, 2.9/3118=38...(46) HE3 LYS 73 - HB2 LYS 75 poor 14 77 45 41 2.4-10.9 3.0/2975=5, 3.0/2975=5...(15) HE2 LYS 73 - HB2 LYS 75 poor 11 77 40 37 2.8-12.1 3.0/2975=5, 3.0/2975=5...(15) HB3 TYR 81 - HB2 LYS 73 far 3 65 5 - 5.3-16.5 HE3 LYS 75 - HB2 LYS 73 far 0 99 0 - 6.5-12.0 HE2 LYS 75 - HB2 LYS 73 far 0 98 0 - 6.5-11.9 HB3 TYR 81 - HB2 LYS 75 far 0 43 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (8.00, 1.78, 32.45 ppm; 4.12 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-3.6 4.0=100 H GLY 72 + HB3 LYS 73 OK 59 99 65 92 4.2-6.3 4.5/788=52, 5841=35...(15) H GLY 72 - HB3 LYS 75 poor 16 91 25 71 4.1-12.8 3.0/16032=36, ~16031=35...(9) H LYS 73 - HB3 LYS 75 poor 15 93 30 56 4.8-10.4 3.6/16032=33...(10) H ARG 69 - HB3 LYS 73 far 14 93 15 - 4.7-8.9 H ALA 30 - HB2 LYS 13 far 8 85 10 - 4.0-26.1 H LYS 73 - HB2 LYS 83 far 0 96 0 - 7.7-24.5 H ARG 69 - HB3 LYS 75 far 0 82 0 - 7.7-14.3 H ARG 69 - HB3 LYS 39 far 0 92 0 - 9.3-12.1 H GLY 72 - HB2 LYS 83 far 0 95 0 - 9.4-25.7 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (4.18, 1.78, 32.45 ppm; 3.35 A): 2 out of 20 assignments used, quality = 0.99: * HA LYS 73 + HB3 LYS 73 OK 99 99 100 100 2.6-3.0 3.0=100 HA ARG 82 + HB2 LYS 83 OK 27 93 60 48 4.3-5.8 3.6/832=20, 6051=16...(8) HA ARG 84 - HB2 LYS 83 poor 15 96 25 62 4.4-5.8 3.0/368=24, 6062/1.8=22...(10) HA ARG 84 - HB2 LYS 85 poor 13 66 20 - 4.4-5.7 HA LYS 73 - HB3 LYS 75 poor 13 90 30 48 4.0-9.4 5431/4.6=22, 4008/4.0=12...(10) HA LEU 29 - HB2 LYS 13 far 9 62 15 - 4.3-28.3 HB THR 15 - HB2 LYS 13 far 0 78 0 - 5.3-9.7 HA ALA 78 - HB3 LYS 73 far 0 81 0 - 6.2-15.2 HA GLN 79 - HB3 LYS 73 far 0 96 0 - 6.2-18.5 HA GLN 79 - HB2 LYS 83 far 0 90 0 - 6.5-12.8 HA ALA 78 - HB2 LYS 83 far 0 74 0 - 7.0-13.2 HB THR 15 - HB3 LYS 39 far 0 85 0 - 7.3-31.2 HA ARG 82 - HB2 LYS 85 far 0 62 0 - 7.7-12.7 HA GLN 79 - HB3 LYS 75 far 0 85 0 - 7.7-13.4 HA LYS 73 - HB2 LYS 83 far 0 94 0 - 8.2-25.9 HA ALA 78 - HB3 LYS 75 far 0 69 0 - 8.2-12.5 HA ARG 82 - HB3 LYS 73 far 0 98 0 - 9.2-20.2 HA LEU 29 - HB2 LYS 85 far 0 40 0 - 9.2-43.8 HA GLN 79 - HB2 LYS 85 far 0 59 0 - 9.6-19.8 HA ILE 89 - HB2 LYS 85 far 0 54 0 - 9.7-13.4 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 16 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 poor 17 83 20 - 2.7-9.6 HB2 ARG 69 - HB3 LYS 73 far 0 83 0 - 4.4-8.6 HB3 ARG 84 - HB2 LYS 83 far 0 76 0 - 4.5-7.6 HB2 LYS 73 - HB3 LYS 75 far 0 93 0 - 4.7-10.1 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 5.0-7.2 HB2 ARG 23 - HB3 LYS 75 far 0 63 0 - 5.1-25.3 HB2 LYS 73 - HB2 LYS 83 far 0 96 0 - 5.9-24.3 HB2 LYS 85 - HB2 LYS 83 far 0 76 0 - 6.6-10.7 HB3 ARG 23 - HB3 LYS 75 far 0 60 0 - 6.7-23.8 HB2 ARG 17 - HB2 LYS 13 far 0 80 0 - 7.1-16.0 HB2 ARG 69 - HB3 LYS 75 far 0 72 0 - 7.8-13.9 HB2 ARG 17 - HB3 LYS 39 far 0 87 0 - 8.5-25.8 HB2 ARG 69 - HB3 LYS 39 far 0 81 0 - 8.8-12.1 HB ILE 89 - HB2 LYS 85 far 0 66 0 - 9.0-14.6 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 10 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 69 69 100 100 2.3-3.0 3.0=100 HG3 LYS 85 + HB2 LYS 85 OK 40 40 100 100 2.3-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 poor 16 93 35 49 2.0-9.4 5849/4.0=14, 4904/4346=6...(23) HG2 LYS 73 - HB2 LYS 83 far 0 96 0 - 5.7-26.0 HG3 LYS 85 - HB2 LYS 83 far 0 64 0 - 5.7-11.1 HG3 LYS 13 - HB3 LYS 39 far 0 77 0 - 6.0-33.4 QB ALA 63 - HB2 LYS 83 far 0 93 0 - 7.9-31.1 QB ALA 63 - HB2 LYS 85 far 0 63 0 - 8.2-35.0 HB3 LEU 52 - HB3 LYS 39 far 0 99 0 - 9.1-14.0 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 37 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.0 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 ARG 69 - HB3 LYS 73 poor 19 97 20 - 3.4-6.8 HG3 LYS 73 - HB3 LYS 75 poor 11 93 35 34 2.6-9.2 5892/4.0=4, 5258/4346=3...(14) HG3 LYS 75 - HB3 LYS 73 far 5 100 5 - 3.6-9.6 HG2 LYS 75 - HB3 LYS 73 far 5 100 5 - 3.7-9.7 HB3 ARG 69 - HB3 LYS 73 far 5 99 5 - 3.4-8.2 QB ALA 78 - HB2 LYS 83 far 5 96 5 - 4.5-12.0 QB ALA 16 - HB2 LYS 13 far 3 55 5 - 2.0-9.3 HG2 LYS 83 - HB2 LYS 85 far 2 50 5 - 4.5-10.5 QB ALA 20 - HB3 LYS 75 far 0 87 0 - 4.9-25.0 QB ALA 77 - HB3 LYS 73 far 0 96 0 - 5.1-13.4 QB ALA 77 - HB3 LYS 75 far 0 85 0 - 5.2-7.7 QB ALA 78 - HB3 LYS 75 far 0 93 0 - 5.3-11.0 HG3 LYS 39 - HB2 LYS 13 far 0 80 0 - 5.3-31.2 QB ALA 78 - HB3 LYS 73 far 0 100 0 - 5.3-14.3 QB ALA 77 - HB2 LYS 83 far 0 90 0 - 5.4-15.4 QB ALA 16 - HB3 LYS 39 far 0 61 0 - 5.8-20.5 HB3 ARG 69 - HB3 LYS 75 far 0 90 0 - 6.2-14.1 HG3 ARG 69 - HB3 LYS 75 far 0 86 0 - 6.6-13.5 HG2 LYS 85 - HB2 LYS 83 far 0 92 0 - 6.7-11.5 HG3 LYS 73 - HB2 LYS 83 far 0 96 0 - 6.7-25.1 HG2 LYS 83 - HB3 LYS 73 far 0 85 0 - 7.2-26.0 QB ALA 78 - HB2 LYS 85 far 0 66 0 - 7.9-16.8 HB3 ARG 69 - HB3 LYS 39 far 0 98 0 - 8.4-12.5 QB ALA 20 - HB3 LYS 39 far 0 96 0 - 8.6-17.3 HG3 ARG 69 - HB3 LYS 39 far 0 95 0 - 8.6-13.4 QB ALA 20 - HB2 LYS 13 far 0 90 0 - 8.7-20.9 QB ALA 16 - HB3 LYS 73 far 0 63 0 - 8.8-24.2 QB ALA 20 - HB3 LYS 73 far 0 97 0 - 8.8-20.1 HG3 ARG 69 - HB2 LYS 83 far 0 91 0 - 9.1-28.7 QB ALA 78 - HB3 LYS 39 far 0 100 0 - 9.9-22.3 QB ALA 53 - HB3 LYS 39 far 0 99 0 - 9.9-14.0 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 42 assignments used, quality = 1.00: * HD2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-4.2 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.0-3.6 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.1-3.8 3.5=100 HB2 LEU 86 - HB2 LYS 85 poor 20 65 30 - 4.2-7.6 HD3 LYS 73 - HB3 LYS 75 poor 17 93 40 46 3.0-10.8 2920/4.0=8, 2.9/2982=4...(26) HD3 LYS 32 - HB2 LYS 13 far 14 94 15 - 4.8-30.3 HD2 LYS 73 - HB3 LYS 75 poor 13 93 30 46 2.2-11.1 2920/4.0=5, 2.9/2982=4...(26) HG3 ARG 84 - HB2 LYS 83 far 12 82 15 - 3.1-7.8 HG2 ARG 84 - HB2 LYS 83 far 12 82 15 - 3.6-6.9 HG3 ARG 70 - HB3 LYS 73 far 10 100 10 - 5.0-8.1 HG LEU 86 - HB2 LYS 85 far 9 59 15 - 4.4-8.5 HG3 ARG 84 - HB2 LYS 85 far 5 53 10 - 4.2-8.8 HB3 LEU 51 - HB3 LYS 39 far 5 95 5 - 5.0-9.6 HG2 ARG 71 - HB3 LYS 75 far 4 88 5 - 4.6-13.7 HD2 LYS 39 - HB2 LYS 13 far 3 57 5 - 4.2-31.9 HD2 LYS 32 - HB2 LYS 13 far 0 95 0 - 5.2-31.0 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 5.6-30.4 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.4 HD2 LYS 73 - HB2 LYS 83 far 0 96 0 - 6.2-26.0 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 6.2-9.5 HG3 ARG 70 - HB2 LYS 83 far 0 96 0 - 6.4-27.2 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 7.0-13.0 HD3 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.7-25.5 HG2 ARG 26 - HB2 LYS 13 far 0 89 0 - 8.0-28.3 HG2 ARG 84 - HB3 LYS 73 far 0 89 0 - 8.2-24.6 HG2 ARG 26 - HB2 LYS 85 far 0 60 0 - 8.3-43.5 HG3 ARG 70 - HB2 LYS 85 far 0 66 0 - 8.3-30.8 HG2 ARG 71 - HB2 LYS 83 far 0 93 0 - 8.3-29.1 HB3 LEU 51 - HB2 LYS 13 far 0 89 0 - 8.5-33.8 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 8.5-14.1 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.6-15.9 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 8.7-15.3 HG LEU 86 - HB3 LYS 39 far 0 94 0 - 8.9-41.6 HG3 ARG 84 - HB3 LYS 73 far 0 89 0 - 9.0-25.7 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.3-27.1 HG2 ARG 27 - HB3 LYS 75 far 0 69 0 - 9.4-22.2 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 9.5-14.8 HD2 LYS 73 - HB3 LYS 39 far 0 100 0 - 9.7-15.9 HG2 ARG 71 - HB2 LYS 85 far 0 62 0 - 9.8-35.0 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.9-27.3 HG3 ARG 27 - HB2 LYS 13 far 0 69 0 - 10.0-30.6 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 42 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-4.2 3.5=100 * HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.0-3.6 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.1-3.8 3.5=100 HB2 LEU 86 - HB2 LYS 85 poor 20 65 30 - 4.2-7.6 HD3 LYS 73 - HB3 LYS 75 poor 17 93 40 46 3.0-10.8 2920/4.0=8, 2.9/2982=4...(26) HD3 LYS 32 - HB2 LYS 13 far 14 94 15 - 4.8-30.3 HD2 LYS 73 - HB3 LYS 75 poor 13 93 30 46 2.2-11.1 2920/4.0=5, 2.9/2982=4...(26) HG3 ARG 84 - HB2 LYS 83 far 12 82 15 - 3.1-7.8 HG2 ARG 84 - HB2 LYS 83 far 12 82 15 - 3.6-6.9 HG3 ARG 70 - HB3 LYS 73 far 10 100 10 - 5.0-8.1 HG LEU 86 - HB2 LYS 85 far 9 59 15 - 4.4-8.5 HG3 ARG 84 - HB2 LYS 85 far 5 53 10 - 4.2-8.8 HB3 LEU 51 - HB3 LYS 39 far 5 95 5 - 5.0-9.6 HG2 ARG 71 - HB3 LYS 75 far 4 88 5 - 4.6-13.7 HD2 LYS 39 - HB2 LYS 13 far 3 57 5 - 4.2-31.9 HD2 LYS 32 - HB2 LYS 13 far 0 95 0 - 5.2-31.0 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 5.6-30.4 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.4 HD2 LYS 73 - HB2 LYS 83 far 0 96 0 - 6.2-26.0 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 6.2-9.5 HG3 ARG 70 - HB2 LYS 83 far 0 96 0 - 6.4-27.2 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 7.0-13.0 HD3 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.7-25.5 HG2 ARG 26 - HB2 LYS 13 far 0 89 0 - 8.0-28.3 HG2 ARG 84 - HB3 LYS 73 far 0 89 0 - 8.2-24.6 HG2 ARG 26 - HB2 LYS 85 far 0 60 0 - 8.3-43.5 HG3 ARG 70 - HB2 LYS 85 far 0 66 0 - 8.3-30.8 HG2 ARG 71 - HB2 LYS 83 far 0 93 0 - 8.3-29.1 HB3 LEU 51 - HB2 LYS 13 far 0 89 0 - 8.5-33.8 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 8.5-14.1 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.6-15.9 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 8.7-15.3 HG LEU 86 - HB3 LYS 39 far 0 94 0 - 8.9-41.6 HG3 ARG 84 - HB3 LYS 73 far 0 89 0 - 9.0-25.7 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.3-27.1 HG2 ARG 27 - HB3 LYS 75 far 0 69 0 - 9.4-22.2 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 9.5-14.8 HD2 LYS 73 - HB3 LYS 39 far 0 100 0 - 9.7-15.9 HG2 ARG 71 - HB2 LYS 85 far 0 62 0 - 9.8-35.0 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.9-27.3 HG3 ARG 27 - HB2 LYS 13 far 0 69 0 - 10.0-30.6 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 25 assignments used, quality = 1.00: * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.6-5.4 4.7=96, ~3020=30...(35) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.1-5.1 4.7=96, ~3020=30...(35) HE3 LYS 75 + HB3 LYS 75 OK 90 90 100 100 2.4-4.7 5.0=81, ~3128=30...(37) HE2 LYS 75 + HB3 LYS 75 OK 89 89 100 100 3.2-5.4 5.0=81, ~3128=30...(36) HE3 LYS 13 + HB2 LYS 13 OK 86 86 100 100 2.1-4.8 5.2=69, 1074/3.0=25...(37) HE2 LYS 13 + HB2 LYS 13 OK 85 85 100 100 2.2-5.4 5.2=69, 1074/3.0=25...(37) HE2 LYS 39 + HB3 LYS 39 OK 72 72 100 100 3.4-5.0 4.7=96, 1906/2.9=31...(46) HE3 LYS 39 + HB3 LYS 39 OK 67 67 100 100 1.9-5.0 4.7=96, 1906/2.9=31...(46) HE2 LYS 73 - HB3 LYS 75 poor 16 93 35 49 2.3-11.0 3.7/2982=5, 3.0/2985=4...(28) HE3 LYS 75 - HB3 LYS 73 far 15 99 15 - 5.9-10.9 HE3 LYS 73 - HB3 LYS 75 poor 14 92 30 48 2.2-10.9 3.7/2982=5, 3.0/2984=4...(26) HB3 TYR 81 - HB2 LYS 83 poor 12 62 20 - 5.7-10.2 HE2 LYS 32 - HB2 LYS 13 far 9 95 10 - 4.8-30.7 HE3 LYS 32 - HB2 LYS 13 far 5 95 5 - 4.8-31.7 HE2 LYS 39 - HB2 LYS 13 far 3 65 5 - 4.5-31.8 HE3 LYS 39 - HB2 LYS 13 far 3 60 5 - 4.6-32.3 HE2 LYS 75 - HB3 LYS 73 far 0 99 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 68 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 93 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 92 0 - 8.2-30.7 HB3 TYR 55 - HB3 LYS 39 far 0 92 0 - 9.3-13.3 HB3 TYR 81 - HB3 LYS 75 far 0 58 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 99 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (2.95, 1.78, 32.45 ppm; 4.62 A): 8 out of 25 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.6-5.4 4.7=96, ~3020=30...(35) * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.1-5.1 4.7=96, ~3020=30...(35) HE3 LYS 75 + HB3 LYS 75 OK 89 89 100 100 2.4-4.7 5.0=81, ~3128=30...(37) HE2 LYS 75 + HB3 LYS 75 OK 88 88 100 100 3.2-5.4 5.0=81, ~3128=30...(36) HE3 LYS 13 + HB2 LYS 13 OK 85 85 100 100 2.1-4.8 5.2=69, 1074/3.0=25...(37) HE2 LYS 13 + HB2 LYS 13 OK 83 83 100 100 2.2-5.4 5.2=69, 1074/3.0=25...(37) HE2 LYS 39 + HB3 LYS 39 OK 69 69 100 100 3.4-5.0 4.7=96, 1906/2.9=30...(46) HE3 LYS 39 + HB3 LYS 39 OK 64 64 100 100 1.9-5.0 4.7=96, 1906/2.9=30...(46) HE2 LYS 73 - HB3 LYS 75 poor 16 92 35 49 2.3-11.0 3.7/2982=5, 3.0/2985=4...(28) HE3 LYS 75 - HB3 LYS 73 far 15 99 15 - 5.9-10.9 HE3 LYS 73 - HB3 LYS 75 poor 14 93 30 48 2.2-10.9 3.7/2982=5, 3.0/2984=4...(26) HB3 TYR 81 - HB2 LYS 83 poor 12 59 20 - 5.7-10.2 HE2 LYS 32 - HB2 LYS 13 far 9 95 10 - 4.8-30.7 HE3 LYS 32 - HB2 LYS 13 far 5 94 5 - 4.8-31.7 HE2 LYS 39 - HB2 LYS 13 far 3 62 5 - 4.5-31.8 HE3 LYS 39 - HB2 LYS 13 far 3 57 5 - 4.6-32.3 HE2 LYS 75 - HB3 LYS 73 far 0 98 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 65 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 92 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 96 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 90 0 - 8.2-30.7 HB3 TYR 55 - HB3 LYS 39 far 0 93 0 - 9.3-13.3 HB3 TYR 81 - HB3 LYS 75 far 0 55 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 100 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 2988 from cnoeabs.peaks (8.00, 1.48, 24.53 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.5-4.2 789=100, 788/2.9=86...(21) H ALA 30 - HG3 LYS 13 far 10 67 15 - 4.7-26.1 H GLY 72 - HG2 LYS 73 far 10 99 10 - 4.7-6.8 H ARG 69 - HG2 LYS 73 far 0 93 0 - 6.2-9.4 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (4.18, 1.48, 24.53 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.99: * HA LYS 73 + HG2 LYS 73 OK 99 99 100 100 2.1-3.8 3.8=100 HA ARG 84 + HG3 LYS 85 OK 22 71 45 70 3.6-6.7 377/4.8=35, 6062/2.9=29...(6) HB THR 15 - HG3 LYS 13 far 9 60 15 - 4.7-10.6 HA GLN 79 - HG2 LYS 73 far 5 96 5 - 5.2-18.2 HA LEU 29 - HG3 LYS 13 far 5 47 10 - 4.4-28.2 HA ALA 78 - HG2 LYS 73 far 0 81 0 - 6.5-15.8 HA ARG 82 - HG3 LYS 85 far 0 66 0 - 7.8-13.1 HA ILE 89 - HG3 LYS 85 far 0 58 0 - 8.8-13.6 HA ARG 82 - HG2 LYS 73 far 0 98 0 - 9.7-22.0 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 7 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 85 + HG3 LYS 85 OK 52 52 100 100 2.3-3.0 2.9=100 HB2 LYS 75 - HG2 LYS 73 poor 17 83 20 - 2.4-9.8 HB3 ARG 84 - HG3 LYS 85 far 5 52 10 - 3.9-8.5 HB2 ARG 17 - HG3 LYS 13 far 0 62 0 - 5.3-16.6 HB2 ARG 69 - HG2 LYS 73 far 0 83 0 - 5.8-8.9 HB ILE 89 - HG3 LYS 85 far 0 71 0 - 7.4-15.1 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.78, 1.48, 24.53 ppm; 3.34 A): 3 out of 19 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 69 69 100 100 2.3-3.0 3.0=100 HB2 LYS 85 + HG3 LYS 85 OK 43 43 100 100 2.3-3.0 2.9=100 HB3 LYS 75 - HG2 LYS 73 poor 12 97 30 41 2.0-9.4 4.0/5849=11, 2982=5...(19) HB3 ARG 84 - HG3 LYS 85 far 4 43 10 - 3.9-8.5 HB3 LYS 32 - HG3 LYS 13 far 0 76 0 - 5.6-30.3 HB2 LYS 83 - HG2 LYS 73 far 0 100 0 - 5.7-26.0 HB2 LYS 83 - HG3 LYS 85 far 0 70 0 - 5.7-11.1 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 5.8-8.9 HB3 LYS 39 - HG3 LYS 13 far 0 75 0 - 6.0-33.4 HB2 LYS 32 - HG3 LYS 13 far 0 76 0 - 6.2-28.7 HG3 ARG 26 - HG3 LYS 13 far 0 39 0 - 7.0-29.1 HB3 ARG 82 - HG3 LYS 85 far 0 63 0 - 7.9-14.7 HG3 ARG 71 - HG3 LYS 85 far 0 41 0 - 8.0-37.0 HG3 ARG 71 - HG2 LYS 73 far 0 68 0 - 8.3-11.0 HB3 ARG 82 - HG2 LYS 73 far 0 96 0 - 8.4-22.9 HG3 ARG 26 - HG3 LYS 85 far 0 35 0 - 9.4-44.9 HB ILE 33 - HG3 LYS 13 far 0 73 0 - 9.4-26.4 HB2 ARG 54 - HG3 LYS 13 far 0 69 0 - 9.9-37.3 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 16 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 HG2 LYS 75 - HG2 LYS 73 far 5 100 5 - 2.5-10.9 HG3 LYS 75 - HG2 LYS 73 far 5 100 5 - 2.5-10.8 QB ALA 16 - HG3 LYS 13 far 2 41 5 - 1.9-10.3 HG3 ARG 69 - HG2 LYS 73 far 0 97 0 - 4.2-7.3 HB3 ARG 69 - HG2 LYS 73 far 0 99 0 - 4.7-8.8 QB ALA 78 - HG2 LYS 73 far 0 100 0 - 5.4-14.4 QB ALA 77 - HG2 LYS 73 far 0 96 0 - 5.4-12.7 HG2 LYS 83 - HG3 LYS 85 far 0 53 0 - 5.7-11.4 HG2 LYS 83 - HG2 LYS 73 far 0 85 0 - 6.0-27.9 HG3 LYS 39 - HG3 LYS 13 far 0 62 0 - 7.3-32.6 QB ALA 78 - HG3 LYS 85 far 0 71 0 - 8.1-18.2 QB ALA 20 - HG3 LYS 13 far 0 72 0 - 8.2-20.9 HG3 LYS 39 - HG2 LYS 73 far 0 89 0 - 9.0-15.2 QB ALA 20 - HG2 LYS 73 far 0 97 0 - 9.9-19.8 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 22 assignments used, quality = 1.00: * HD2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 86 - HG3 LYS 85 far 10 70 15 - 4.1-8.3 HD3 LYS 32 - HG3 LYS 13 far 4 77 5 - 4.4-30.8 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 4.8-10.5 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.1-31.4 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 5.2-10.0 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 5.2-33.5 HG3 ARG 84 - HG3 LYS 85 far 0 56 0 - 5.5-9.7 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 5.7-9.0 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 6.5-18.6 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 6.6-31.8 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 7.5-17.6 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 7.6-11.0 HG2 ARG 26 - HG3 LYS 13 far 0 70 0 - 7.8-27.8 HG2 ARG 71 - HG3 LYS 85 far 0 66 0 - 8.6-36.1 HG3 ARG 70 - HG3 LYS 85 far 0 70 0 - 9.2-32.0 HG2 ARG 27 - HG3 LYS 85 far 0 50 0 - 9.5-40.8 HG3 ARG 27 - HG3 LYS 85 far 0 48 0 - 9.6-40.4 HG2 ARG 84 - HG2 LYS 73 far 0 89 0 - 9.9-26.9 HG3 ARG 27 - HG3 LYS 13 far 0 53 0 - 9.9-32.1 HG2 ARG 26 - HG3 LYS 85 far 0 64 0 - 10.0-44.1 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 22 assignments used, quality = 1.00: HD2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 86 - HG3 LYS 85 far 10 70 15 - 4.1-8.3 HD3 LYS 32 - HG3 LYS 13 far 4 77 5 - 4.4-30.8 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 4.8-10.5 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.1-31.4 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 5.2-10.0 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 5.2-33.5 HG3 ARG 84 - HG3 LYS 85 far 0 56 0 - 5.5-9.7 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 5.7-9.0 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 6.5-18.6 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 6.6-31.8 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 7.5-17.6 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 7.6-11.0 HG2 ARG 26 - HG3 LYS 13 far 0 70 0 - 7.8-27.8 HG2 ARG 71 - HG3 LYS 85 far 0 66 0 - 8.6-36.1 HG3 ARG 70 - HG3 LYS 85 far 0 70 0 - 9.2-32.0 HG2 ARG 27 - HG3 LYS 85 far 0 50 0 - 9.5-40.8 HG3 ARG 27 - HG3 LYS 85 far 0 48 0 - 9.6-40.4 HG2 ARG 84 - HG2 LYS 73 far 0 89 0 - 9.9-26.9 HG3 ARG 27 - HG3 LYS 13 far 0 53 0 - 9.9-32.1 HG2 ARG 26 - HG3 LYS 85 far 0 64 0 - 10.0-44.1 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 2.2-4.1 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-3.6 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 68 68 100 100 2.4-4.2 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.2-4.2 3.8=100 HE3 LYS 75 - HG2 LYS 73 far 10 99 10 - 5.1-12.0 HE2 LYS 32 - HG3 LYS 13 far 8 77 10 - 4.7-31.2 HE2 LYS 75 - HG2 LYS 73 far 5 99 5 - 4.6-12.0 HE2 LYS 39 - HG3 LYS 13 far 2 49 5 - 5.5-31.7 HE3 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.2-32.3 HE3 LYS 39 - HG3 LYS 13 far 0 45 0 - 6.4-33.4 HB3 TYR 81 - HG2 LYS 73 far 0 68 0 - 6.9-18.3 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 2.1-3.6 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-4.1 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.4-4.2 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 65 65 100 100 2.2-4.2 3.8=100 HE3 LYS 75 - HG2 LYS 73 far 10 99 10 - 5.1-12.0 HE2 LYS 32 - HG3 LYS 13 far 8 77 10 - 4.7-31.2 HE2 LYS 75 - HG2 LYS 73 far 5 98 5 - 4.6-12.0 HE2 LYS 39 - HG3 LYS 13 far 2 47 5 - 5.5-31.7 HE3 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.2-32.3 HE3 LYS 39 - HG3 LYS 13 far 0 43 0 - 6.4-33.4 HB3 TYR 81 - HG2 LYS 73 far 0 65 0 - 6.9-18.3 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 11 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-4.7 789/1.8=93, 788/2.9=89...(25) H GLY 72 - HG3 LYS 73 far 10 99 10 - 4.1-7.5 H GLY 72 - HG3 LYS 75 far 9 59 15 - 5.2-12.4 H LYS 73 - HG3 LYS 75 far 3 61 5 - 5.5-10.4 H LYS 73 - HG2 LYS 75 far 3 61 5 - 6.0-10.6 H GLY 72 - HG2 LYS 75 far 3 59 5 - 6.0-12.2 H ARG 69 - HG3 LYS 73 far 0 93 0 - 6.3-10.0 H ARG 69 - HG3 LYS 75 far 0 52 0 - 8.5-16.2 H ARG 69 - HG2 LYS 75 far 0 52 0 - 8.6-16.3 H LYS 73 - HG2 LYS 83 far 0 79 0 - 8.7-26.0 H GLY 72 - HG2 LYS 83 far 0 77 0 - 9.8-26.7 Violated in 3 structures by 0.01 A. Peak 2999 from cnoeabs.peaks (4.18, 1.39, 24.53 ppm; 3.68 A): 3 out of 19 assignments used, quality = 0.99: * HA LYS 73 + HG3 LYS 73 OK 99 99 100 100 2.2-3.9 3.8=95, 3.0/2998=41...(34) HA ARG 84 + HG2 LYS 85 OK 24 97 40 61 3.9-7.1 377/4.8=27, 6062/2.9=23...(6) HA ARG 84 + HG2 LYS 83 OK 22 79 45 61 3.8-6.6 6062/2.9=21, ~368=12...(9) HA ARG 82 - HG2 LYS 83 poor 9 75 45 27 3.5-6.9 2979/2.9=11, 6062/2.9=9...(4) HA GLN 79 - HG3 LYS 73 far 5 96 5 - 5.0-19.3 HA GLN 79 - HG2 LYS 83 far 4 71 5 - 5.2-14.9 HA LYS 73 - HG2 LYS 75 far 0 59 0 - 5.6-10.0 HA GLN 79 - HG2 LYS 75 far 0 55 0 - 5.6-14.2 HA LYS 73 - HG3 LYS 75 far 0 59 0 - 5.8-8.6 HA ALA 78 - HG3 LYS 73 far 0 81 0 - 5.9-16.2 HA ALA 78 - HG2 LYS 75 far 0 42 0 - 6.8-13.1 HA GLN 79 - HG3 LYS 75 far 0 55 0 - 7.3-14.6 HA ALA 78 - HG2 LYS 83 far 0 57 0 - 7.5-15.0 HA ALA 78 - HG3 LYS 75 far 0 42 0 - 7.8-13.2 HA ILE 89 - HG2 LYS 85 far 0 85 0 - 7.8-13.7 HA LYS 73 - HG2 LYS 83 far 0 76 0 - 8.0-27.7 HA ARG 82 - HG3 LYS 73 far 0 98 0 - 8.0-22.4 HA ARG 82 - HG2 LYS 85 far 0 94 0 - 8.7-13.2 HA GLN 79 - HG2 LYS 85 far 0 91 0 - 9.4-19.8 Violated in 1 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.82, 1.39, 24.53 ppm; 3.15 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 75 + HG2 LYS 75 OK 44 44 100 100 2.2-3.0 2.7=100 HB2 LYS 75 + HG3 LYS 75 OK 44 44 100 100 2.2-3.0 2.7=100 HB2 LYS 75 - HG3 LYS 73 poor 8 83 40 25 2.6-9.8 4.0/5892=4, ~2982=2...(11) HB3 ARG 84 - HG2 LYS 85 far 4 77 5 - 4.2-7.9 HB2 LYS 73 - HG2 LYS 75 far 3 61 5 - 4.3-11.0 HB2 LYS 85 - HG2 LYS 83 far 3 59 5 - 4.5-10.5 HB2 ARG 23 - HG3 LYS 75 far 2 38 5 - 3.0-23.6 HB2 ARG 23 - HG2 LYS 75 far 2 38 5 - 4.4-23.6 HB3 ARG 23 - HG3 LYS 75 far 2 36 5 - 4.6-22.1 HB2 LYS 73 - HG3 LYS 75 far 0 61 0 - 4.8-9.5 HB2 ARG 69 - HG3 LYS 73 far 0 83 0 - 5.4-9.7 HB3 ARG 84 - HG2 LYS 83 far 0 59 0 - 5.8-8.2 HB3 ARG 23 - HG2 LYS 75 far 0 36 0 - 6.0-22.1 HB2 LYS 73 - HG2 LYS 83 far 0 79 0 - 6.5-25.8 HB ILE 89 - HG2 LYS 85 far 0 97 0 - 6.8-15.0 HB2 ARG 69 - HG3 LYS 75 far 0 44 0 - 6.8-15.8 HB2 ARG 69 - HG2 LYS 75 far 0 44 0 - 7.0-16.2 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (1.78, 1.39, 24.53 ppm; 3.10 A): 5 out of 28 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 83 + HG2 LYS 83 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 66 66 100 100 2.3-3.0 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 56 56 100 100 2.2-3.0 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 poor 11 97 35 32 2.6-9.2 4.0/5892=4, 2982/1.8=4...(14) HB3 ARG 84 - HG2 LYS 85 far 3 66 5 - 4.2-7.9 HB3 LYS 73 - HG3 LYS 75 far 3 61 5 - 3.6-9.6 HB3 LYS 73 - HG2 LYS 75 far 3 61 5 - 3.7-9.7 HB2 LYS 85 - HG2 LYS 83 far 2 49 5 - 4.5-10.5 HG3 ARG 71 - HG3 LYS 75 far 0 35 0 - 4.6-15.5 HB3 ARG 82 - HG2 LYS 83 far 0 71 0 - 5.1-8.6 HB2 ARG 69 - HG3 LYS 73 far 0 71 0 - 5.4-9.7 HB3 ARG 84 - HG2 LYS 83 far 0 49 0 - 5.8-8.2 HG3 ARG 71 - HG2 LYS 75 far 0 35 0 - 6.2-15.5 HB2 LYS 83 - HG2 LYS 85 far 0 97 0 - 6.7-11.5 HB2 LYS 83 - HG3 LYS 73 far 0 100 0 - 6.7-25.1 HB3 ARG 82 - HG3 LYS 73 far 0 96 0 - 6.7-23.4 HB2 ARG 69 - HG3 LYS 75 far 0 36 0 - 6.8-15.8 HB2 ARG 69 - HG2 LYS 75 far 0 36 0 - 7.0-16.2 HB3 LYS 73 - HG2 LYS 83 far 0 79 0 - 7.2-26.0 HG3 ARG 71 - HG3 LYS 73 far 0 68 0 - 7.8-11.4 HG3 ARG 26 - HG2 LYS 85 far 0 55 0 - 8.0-45.6 HG3 ARG 26 - HG3 LYS 75 far 0 30 0 - 8.1-26.3 HG3 ARG 26 - HG2 LYS 75 far 0 30 0 - 8.8-26.2 HB3 ARG 82 - HG2 LYS 85 far 0 91 0 - 9.0-14.5 HG3 ARG 71 - HG2 LYS 83 far 0 47 0 - 9.2-30.2 HG3 ARG 71 - HG2 LYS 85 far 0 63 0 - 9.4-35.4 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 8 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 - HG2 LYS 75 far 3 61 5 - 2.5-10.9 HG2 LYS 73 - HG3 LYS 75 far 3 61 5 - 2.5-10.8 HG3 LYS 85 - HG2 LYS 83 far 0 49 0 - 5.7-11.4 HG2 LYS 73 - HG2 LYS 83 far 0 79 0 - 6.0-27.9 QB ALA 63 - HG2 LYS 85 far 0 95 0 - 6.5-34.4 QB ALA 63 - HG2 LYS 83 far 0 75 0 - 9.1-30.7 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 35 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 2.2-3.0 2.9=100 HB2 LEU 86 - HG2 LYS 85 far 10 97 10 - 3.2-8.1 HD3 LYS 73 - HG2 LYS 75 far 9 61 15 - 3.4-12.9 HD2 LYS 73 - HG3 LYS 75 far 9 61 15 - 4.1-11.8 HD2 LYS 73 - HG2 LYS 83 far 4 79 5 - 4.3-27.9 HD2 LYS 73 - HG2 LYS 75 far 3 61 5 - 3.4-12.3 HD3 LYS 73 - HG3 LYS 75 far 3 61 5 - 4.2-12.2 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.7-9.3 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.0-7.6 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 5.1-14.6 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.2-9.1 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.3-7.9 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.5-9.8 HG3 ARG 70 - HG2 LYS 83 far 0 79 0 - 5.5-29.1 HD3 LYS 73 - HG2 LYS 83 far 0 79 0 - 5.6-27.4 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 6.1-10.6 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 6.4-14.9 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 6.4-14.9 HG2 ARG 71 - HG2 LYS 83 far 0 75 0 - 7.5-29.5 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 7.6-14.0 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 7.9-14.7 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 7.9-11.4 HG2 ARG 84 - HG3 LYS 73 far 0 89 0 - 8.2-27.0 HG2 ARG 27 - HG3 LYS 75 far 0 42 0 - 8.7-22.5 HG2 ARG 26 - HG2 LYS 85 far 0 92 0 - 8.8-44.8 HG3 ARG 27 - HG3 LYS 75 far 0 41 0 - 8.9-22.8 HG2 ARG 26 - HG2 LYS 75 far 0 56 0 - 9.0-26.9 HG2 ARG 26 - HG3 LYS 75 far 0 56 0 - 9.1-27.3 HG3 ARG 84 - HG3 LYS 73 far 0 89 0 - 9.3-28.1 HG2 ARG 27 - HG2 LYS 75 far 0 42 0 - 9.4-23.2 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 9.5-15.4 HG3 ARG 27 - HG2 LYS 75 far 0 41 0 - 9.7-22.8 HG2 ARG 71 - HG2 LYS 85 far 0 94 0 - 9.8-34.5 HG3 ARG 70 - HG2 LYS 85 far 0 97 0 - 10.0-30.4 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 35 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 2.2-3.0 2.9=100 HB2 LEU 86 - HG2 LYS 85 far 10 97 10 - 3.2-8.1 HD3 LYS 73 - HG2 LYS 75 far 9 61 15 - 3.4-12.9 HD2 LYS 73 - HG3 LYS 75 far 9 61 15 - 4.1-11.8 HD2 LYS 73 - HG2 LYS 83 far 4 79 5 - 4.3-27.9 HD2 LYS 73 - HG2 LYS 75 far 3 61 5 - 3.4-12.3 HD3 LYS 73 - HG3 LYS 75 far 3 61 5 - 4.2-12.2 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.7-9.3 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.0-7.6 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 5.1-14.6 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.2-9.1 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.3-7.9 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.5-9.8 HG3 ARG 70 - HG2 LYS 83 far 0 79 0 - 5.5-29.1 HD3 LYS 73 - HG2 LYS 83 far 0 79 0 - 5.6-27.4 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 6.1-10.6 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 6.4-14.9 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 6.4-14.9 HG2 ARG 71 - HG2 LYS 83 far 0 75 0 - 7.5-29.5 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 7.6-14.0 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 7.9-14.7 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 7.9-11.4 HG2 ARG 84 - HG3 LYS 73 far 0 89 0 - 8.2-27.0 HG2 ARG 27 - HG3 LYS 75 far 0 42 0 - 8.7-22.5 HG2 ARG 26 - HG2 LYS 85 far 0 92 0 - 8.8-44.8 HG3 ARG 27 - HG3 LYS 75 far 0 41 0 - 8.9-22.8 HG2 ARG 26 - HG2 LYS 75 far 0 56 0 - 9.0-26.9 HG2 ARG 26 - HG3 LYS 75 far 0 56 0 - 9.1-27.3 HG3 ARG 84 - HG3 LYS 73 far 0 89 0 - 9.3-28.1 HG2 ARG 27 - HG2 LYS 75 far 0 42 0 - 9.4-23.2 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 9.5-15.4 HG3 ARG 27 - HG2 LYS 75 far 0 41 0 - 9.7-22.8 HG2 ARG 71 - HG2 LYS 85 far 0 94 0 - 9.8-34.5 HG3 ARG 70 - HG2 LYS 85 far 0 97 0 - 10.0-30.4 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 17 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-4.2 3.7=100 HE3 LYS 75 + HG2 LYS 75 OK 59 59 100 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 59 59 100 100 2.2-3.7 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 58 58 100 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 58 58 100 100 2.2-3.8 3.5=100 HE2 LYS 73 - HG2 LYS 75 poor 12 61 20 - 2.1-13.5 HE3 LYS 73 - HG3 LYS 75 poor 12 61 20 - 2.7-12.2 HE3 LYS 73 - HG2 LYS 75 poor 12 61 20 - 3.8-12.7 HE3 LYS 75 - HG3 LYS 73 far 10 99 10 - 3.8-12.9 HE2 LYS 75 - HG3 LYS 73 far 10 99 10 - 4.2-13.1 HE2 LYS 73 - HG3 LYS 75 far 6 61 10 - 3.7-13.0 HE2 LYS 73 - HG2 LYS 83 far 4 79 5 - 5.0-28.6 HB3 TYR 81 - HG2 LYS 83 far 2 47 5 - 4.5-12.0 HE3 LYS 73 - HG2 LYS 83 far 0 79 0 - 5.9-28.2 HB3 TYR 81 - HG3 LYS 73 far 0 68 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 35 0 - 9.2-15.8 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 17 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-4.0 3.7=100 HE3 LYS 75 + HG2 LYS 75 OK 58 58 100 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 58 58 100 100 2.2-3.7 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 57 57 100 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 57 57 100 100 2.2-3.8 3.5=100 HE3 LYS 73 - HG3 LYS 75 poor 12 61 20 - 2.7-12.2 HE2 LYS 73 - HG2 LYS 75 poor 12 61 20 - 2.1-13.5 HE3 LYS 73 - HG2 LYS 75 poor 12 61 20 - 3.8-12.7 HE3 LYS 75 - HG3 LYS 73 far 10 99 10 - 3.8-12.9 HE2 LYS 75 - HG3 LYS 73 far 10 98 10 - 4.2-13.1 HE2 LYS 73 - HG3 LYS 75 far 6 61 10 - 3.7-13.0 HE2 LYS 73 - HG2 LYS 83 far 4 79 5 - 5.0-28.6 HB3 TYR 81 - HG2 LYS 83 far 2 45 5 - 4.5-12.0 HE3 LYS 73 - HG2 LYS 83 far 0 79 0 - 5.9-28.2 HB3 TYR 81 - HG3 LYS 73 far 0 65 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 33 0 - 9.2-15.8 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 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-5.7 788/3.5=78, 787/3.5=77...(21) * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 3.6-5.9 788/3.5=78, 787/3.5=77...(21) H GLY 72 + HG2 ARG 71 OK 95 96 100 99 2.0-5.3 5.0=73, 5397/5.0=51...(14) H ARG 69 + HG2 ARG 71 OK 23 89 35 75 4.1-8.2 5825/5.0=40, 3.6/5045=26...(8) H LYS 73 - HG2 ARG 71 poor 16 98 25 64 4.7-7.5 4.5/5840=25, 942/5.0=15...(9) H GLY 72 - HD3 LYS 73 far 5 99 5 - 4.7-8.5 H GLY 72 - HD2 LYS 73 far 5 99 5 - 5.9-8.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 6.1-11.3 H ARG 69 - HD2 LYS 73 far 0 93 0 - 6.7-11.9 H ALA 30 - HD3 LYS 32 far 0 93 0 - 6.9-9.4 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.5-9.2 H ARG 69 - HD3 LYS 39 far 0 54 0 - 9.8-13.1 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 19 assignments used, quality = 1.00: HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.1-5.3 2963/2.9=57, 5.2=43...(55) * HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.3-4.7 2963/2.9=57, 5.2=43...(55) HA ALA 78 - HD3 LYS 73 far 8 81 10 - 4.8-17.3 HB THR 15 - HD2 LYS 32 far 4 87 5 - 4.3-28.8 HB THR 15 - HD3 LYS 32 far 4 87 5 - 4.0-28.4 HA ALA 78 - HD2 LYS 73 far 4 81 5 - 3.5-18.1 HA LEU 29 - HD3 LYS 32 far 4 71 5 - 5.3-9.4 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 5.5-20.3 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 5.6-9.0 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 5.7-21.2 HA ILE 89 - HD2 LYS 32 far 0 90 0 - 6.4-56.1 HB THR 15 - HD2 LYS 39 far 0 50 0 - 7.1-31.0 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.3-9.9 HA ILE 89 - HD3 LYS 32 far 0 90 0 - 7.7-57.5 HA ARG 82 - HD2 LYS 73 far 0 98 0 - 7.9-22.0 HA ALA 78 - HG2 ARG 71 far 0 76 0 - 8.2-21.4 HB THR 15 - HD3 LYS 39 far 0 48 0 - 8.5-29.3 HB THR 15 - HG2 ARG 71 far 0 82 0 - 8.6-32.2 HA ARG 82 - HD3 LYS 73 far 0 98 0 - 9.2-21.8 Violated in 8 structures by 0.03 A. Peak 3010 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 2 out of 21 assignments used, quality = 0.99: HB2 LYS 73 + HD3 LYS 73 OK 92 100 100 92 2.0-3.6 3.5=56, 3.0/3009=16...(43) * HB2 LYS 73 + HD2 LYS 73 OK 92 100 100 92 2.2-3.8 3.5=56, 3.0/3009=16...(43) HB2 LYS 75 - HD3 LYS 73 poor 5 83 25 24 2.3-11.3 4.0/2920=4, 2974=2...(10) HB2 LYS 75 - HD2 LYS 73 poor 5 83 25 24 3.7-11.4 4.0/2920=3, 2975=2...(10) HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 5.1-15.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 5.4-11.1 HB3 ARG 23 - HG2 ARG 71 far 0 66 0 - 5.9-14.6 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 5.9-13.6 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 5.9-9.2 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.4-10.2 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 6.5-29.2 HB2 ARG 17 - HD2 LYS 39 far 0 52 0 - 6.6-25.8 HB2 ARG 17 - HD3 LYS 39 far 0 50 0 - 6.9-26.1 HB ILE 89 - HD2 LYS 32 far 0 100 0 - 7.0-58.3 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-29.4 HB ILE 89 - HD3 LYS 32 far 0 100 0 - 8.7-59.6 HB2 ARG 17 - HG2 ARG 71 far 0 84 0 - 9.0-27.0 HB2 LYS 85 - HG2 ARG 71 far 0 78 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 45 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 9.9-13.4 Violated in 1 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 9 out of 48 assignments used, quality = 1.00: HB3 LYS 32 + HD2 LYS 32 OK 94 100 100 94 2.0-3.9 3.5=53, 1.8/1581=13...(39) HB2 LYS 32 + HD2 LYS 32 OK 94 100 100 94 2.2-4.1 3.5=53, 1.8/1581=13...(39) HB3 LYS 32 + HD3 LYS 32 OK 94 100 100 94 2.1-3.8 3.5=53, 1.8/1571=13...(39) HB2 LYS 32 + HD3 LYS 32 OK 94 100 100 94 2.3-4.1 3.5=53, 1.8/1571=13...(39) HB3 LYS 73 + HD3 LYS 73 OK 86 100 100 86 2.3-3.9 3.5=50, 3.0/3019=14...(29) * HB3 LYS 73 + HD2 LYS 73 OK 85 100 100 85 2.3-4.2 3.5=50, 3.0/3009=14...(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 62 64 100 96 2.0-3.6 3.5=50, 2.9/1868=17...(41) HB3 LYS 39 + HD3 LYS 39 OK 59 62 100 96 2.1-3.8 3.5=50, 2.9/1868=17...(41) HB3 LYS 75 - HD3 LYS 73 poor 7 97 30 24 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB3 LYS 75 - HD2 LYS 73 poor 6 97 25 23 2.2-11.1 4.0/2920=3, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 3 58 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 96 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 5.6-30.4 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 5.9-9.2 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 100 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 6.7-11.4 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 6.9-12.0 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 96 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 100 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 91 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 97 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 96 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.4-12.5 HB3 LYS 39 - HD2 LYS 73 far 0 100 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 97 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 66 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 37 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 57 0 - 10.0-14.7 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 2.2-3.0 2.9=100 HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 - HD3 LYS 32 far 4 78 5 - 4.4-30.8 HG3 LYS 13 - HD2 LYS 32 far 0 78 0 - 5.1-31.4 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 5.2-33.5 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 6.6-31.8 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 7.4-11.5 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.6-11.0 HG3 LYS 85 - HG2 ARG 71 far 0 66 0 - 8.6-36.1 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 8.7-12.6 HB3 LEU 52 - HD3 LYS 39 far 0 62 0 - 8.8-13.7 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 9.2-13.1 QB ALA 63 - HD3 LYS 32 far 0 99 0 - 9.6-14.7 HB3 LEU 52 - HD2 LYS 39 far 0 64 0 - 9.6-13.7 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 43 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 2.2-3.0 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 HG2 LYS 75 - HD3 LYS 73 far 15 100 15 - 3.4-12.9 HG2 LYS 75 - HD2 LYS 73 far 15 100 15 - 3.4-12.3 HG3 LYS 75 - HD2 LYS 73 far 15 100 15 - 4.1-11.8 HB3 ARG 69 - HD3 LYS 73 far 10 99 10 - 4.2-11.1 QB ALA 77 - HG2 ARG 71 far 9 91 10 - 4.4-15.2 HG3 ARG 69 - HD2 LYS 73 lone 8 97 40 20 2.6-9.4 2818/3.5=6, 2818/3.5=6...(5) HG3 ARG 69 - HD3 LYS 73 poor 5 97 25 21 2.7-9.4 2818/3.5=6, 2818/3.5=6...(6) QB ALA 78 - HD2 LYS 73 far 5 100 5 - 4.1-16.7 QB ALA 78 - HD3 LYS 73 far 5 100 5 - 4.2-16.1 HG3 LYS 75 - HD3 LYS 73 far 5 100 5 - 4.2-12.2 HB3 ARG 69 - HD2 LYS 73 far 5 99 5 - 4.6-11.5 QB ALA 77 - HD3 LYS 73 far 5 96 5 - 3.6-14.8 HG2 LYS 83 - HD2 LYS 73 far 4 85 5 - 4.3-27.9 QB ALA 77 - HD2 LYS 73 far 0 96 0 - 4.8-15.2 QB ALA 20 - HG2 ARG 71 far 0 94 0 - 5.0-19.8 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 5.1-14.6 HG2 LYS 83 - HD3 LYS 73 far 0 85 0 - 5.6-27.4 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 6.2-20.4 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.4-10.3 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.4-14.9 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 6.4-19.0 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 6.5-25.5 QB ALA 16 - HD3 LYS 32 far 0 63 0 - 6.5-25.3 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 6.7-10.2 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 6.8-20.7 HG2 LYS 83 - HG2 ARG 71 far 0 80 0 - 7.5-29.5 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.8-16.8 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-11.4 QB ALA 16 - HG2 ARG 71 far 0 58 0 - 8.0-24.9 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 8.1-17.8 HB3 ARG 69 - HD2 LYS 39 far 0 63 0 - 8.2-13.9 HB3 ARG 69 - HD3 LYS 39 far 0 60 0 - 8.3-13.7 QB ALA 16 - HD3 LYS 73 far 0 63 0 - 8.5-24.9 HG3 LYS 39 - HD2 LYS 73 far 0 89 0 - 8.6-16.7 HG3 LYS 39 - HD3 LYS 73 far 0 89 0 - 9.0-17.4 QB ALA 16 - HD2 LYS 73 far 0 63 0 - 9.5-26.0 QB ALA 53 - HD3 LYS 39 far 0 62 0 - 9.7-13.1 HG2 LYS 85 - HG2 ARG 71 far 0 94 0 - 9.8-34.5 QB ALA 20 - HD3 LYS 73 far 0 97 0 - 9.9-20.6 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 35 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 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 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 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 9 93 10 - 2.9-31.6 HE3 LYS 13 - HD3 LYS 32 far 5 94 5 - 4.3-31.7 HE2 LYS 13 - HD2 LYS 32 far 5 93 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 68 5 - 4.0-18.5 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-12.8 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 64 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 93 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 68 0 - 9.9-18.2 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 35 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 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 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 9 92 10 - 2.9-31.6 HE3 LYS 13 - HD3 LYS 32 far 5 93 5 - 4.3-31.7 HE2 LYS 13 - HD2 LYS 32 far 5 92 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 65 5 - 4.0-18.5 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 4.6-12.8 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 98 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 61 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 52 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 95 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.9-18.2 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 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-5.7 788/3.5=78, 787/3.5=77...(21) H LYS 73 + HD2 LYS 73 OK 100 100 100 100 3.6-5.9 788/3.5=78, 787/3.5=77...(21) H GLY 72 + HG2 ARG 71 OK 95 96 100 99 2.0-5.3 5.0=73, 5397/5.0=51...(14) H ARG 69 + HG2 ARG 71 OK 23 89 35 75 4.1-8.2 5825/5.0=40, 3.6/5045=26...(8) H LYS 73 - HG2 ARG 71 poor 16 98 25 64 4.7-7.5 4.5/5840=25, 942/5.0=15...(9) H GLY 72 - HD3 LYS 73 far 5 99 5 - 4.7-8.5 H GLY 72 - HD2 LYS 73 far 5 99 5 - 5.9-8.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 6.1-11.3 H ARG 69 - HD2 LYS 73 far 0 93 0 - 6.7-11.9 H ALA 30 - HD3 LYS 32 far 0 93 0 - 6.9-9.4 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.5-9.2 H ARG 69 - HD3 LYS 39 far 0 54 0 - 9.8-13.1 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 19 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.1-5.3 2963/2.9=57, 5.2=43...(55) HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.3-4.7 2963/2.9=57, 5.2=43...(55) HA ALA 78 - HD3 LYS 73 far 8 81 10 - 4.8-17.3 HB THR 15 - HD2 LYS 32 far 4 87 5 - 4.3-28.8 HB THR 15 - HD3 LYS 32 far 4 87 5 - 4.0-28.4 HA ALA 78 - HD2 LYS 73 far 4 81 5 - 3.5-18.1 HA LEU 29 - HD3 LYS 32 far 4 71 5 - 5.3-9.4 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 5.5-20.3 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 5.6-9.0 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 5.7-21.2 HA ILE 89 - HD2 LYS 32 far 0 90 0 - 6.4-56.1 HB THR 15 - HD2 LYS 39 far 0 50 0 - 7.1-31.0 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.3-9.9 HA ILE 89 - HD3 LYS 32 far 0 90 0 - 7.7-57.5 HA ARG 82 - HD2 LYS 73 far 0 98 0 - 7.9-22.0 HA ALA 78 - HG2 ARG 71 far 0 76 0 - 8.2-21.4 HB THR 15 - HD3 LYS 39 far 0 48 0 - 8.5-29.3 HB THR 15 - HG2 ARG 71 far 0 82 0 - 8.6-32.2 HA ARG 82 - HD3 LYS 73 far 0 98 0 - 9.2-21.8 Violated in 8 structures by 0.03 A. Peak 3020 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 2 out of 21 assignments used, quality = 0.99: * HB2 LYS 73 + HD3 LYS 73 OK 92 100 100 92 2.0-3.6 3.5=56, 3.0/3009=16...(43) HB2 LYS 73 + HD2 LYS 73 OK 92 100 100 92 2.2-3.8 3.5=56, 3.0/3009=16...(43) HB2 LYS 75 - HD3 LYS 73 poor 5 83 25 24 2.3-11.3 4.0/2920=4, 2974=2...(10) HB2 LYS 75 - HD2 LYS 73 poor 5 83 25 24 3.7-11.4 4.0/2920=3, 2975=2...(10) HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 5.1-15.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 5.4-11.1 HB3 ARG 23 - HG2 ARG 71 far 0 66 0 - 5.9-14.6 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 5.9-13.6 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 5.9-9.2 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.4-10.2 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 6.5-29.2 HB2 ARG 17 - HD2 LYS 39 far 0 52 0 - 6.6-25.8 HB2 ARG 17 - HD3 LYS 39 far 0 50 0 - 6.9-26.1 HB ILE 89 - HD2 LYS 32 far 0 100 0 - 7.0-58.3 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-29.4 HB ILE 89 - HD3 LYS 32 far 0 100 0 - 8.7-59.6 HB2 ARG 17 - HG2 ARG 71 far 0 84 0 - 9.0-27.0 HB2 LYS 85 - HG2 ARG 71 far 0 78 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 45 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 9.9-13.4 Violated in 1 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 9 out of 48 assignments used, quality = 1.00: HB3 LYS 32 + HD2 LYS 32 OK 94 100 100 94 2.0-3.9 3.5=53, 1.8/1581=13...(39) HB2 LYS 32 + HD2 LYS 32 OK 94 100 100 94 2.2-4.1 3.5=53, 1.8/1581=13...(39) HB3 LYS 32 + HD3 LYS 32 OK 94 100 100 94 2.1-3.8 3.5=53, 1.8/1571=13...(39) HB2 LYS 32 + HD3 LYS 32 OK 94 100 100 94 2.3-4.1 3.5=53, 1.8/1571=13...(39) * HB3 LYS 73 + HD3 LYS 73 OK 86 100 100 86 2.3-3.9 3.5=50, 3.0/3019=14...(29) HB3 LYS 73 + HD2 LYS 73 OK 85 100 100 85 2.3-4.2 3.5=50, 3.0/3009=14...(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 62 64 100 96 2.0-3.6 3.5=50, 2.9/1868=17...(41) HB3 LYS 39 + HD3 LYS 39 OK 59 62 100 96 2.1-3.8 3.5=50, 2.9/1868=17...(41) HB3 LYS 75 - HD3 LYS 73 poor 7 97 30 24 3.0-10.8 4.0/2920=4, 2982/2.9=2...(11) HB3 LYS 75 - HD2 LYS 73 poor 6 97 25 23 2.2-11.1 4.0/2920=3, 2982/2.9=2...(11) HB2 LYS 13 - HD2 LYS 39 far 3 58 5 - 4.2-31.9 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 4.6-13.7 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 4.8-30.3 HB2 LYS 13 - HD2 LYS 32 far 0 96 0 - 5.2-31.0 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.4-11.4 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 5.4-11.1 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 5.6-30.4 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 5.9-9.2 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 6.0-10.3 HB2 LYS 83 - HD2 LYS 73 far 0 100 0 - 6.2-26.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.2-9.5 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 6.7-11.4 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 6.9-10.7 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 6.9-12.0 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 7.1-12.6 HB3 ARG 82 - HD2 LYS 73 far 0 96 0 - 7.2-21.3 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 7.2-9.6 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 7.3-11.4 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 7.6-10.4 HB2 LYS 83 - HD3 LYS 73 far 0 100 0 - 7.7-25.5 HB3 ARG 82 - HG2 ARG 71 far 0 91 0 - 7.8-29.3 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 7.9-9.5 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 8.2-11.5 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 8.3-12.1 HB2 LYS 83 - HG2 ARG 71 far 0 97 0 - 8.3-29.1 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.5-11.5 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 8.5-11.9 HB3 ARG 82 - HD3 LYS 73 far 0 96 0 - 8.5-23.0 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.5-12.2 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 8.7-13.3 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.4-12.5 HB3 LYS 39 - HD2 LYS 73 far 0 100 0 - 9.7-15.9 HB2 LEU 57 - HD2 LYS 32 far 0 97 0 - 9.7-13.8 HB2 LYS 85 - HG2 ARG 71 far 0 66 0 - 9.8-35.0 HB2 ARG 69 - HD3 LYS 39 far 0 37 0 - 9.9-13.2 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 9.9-13.4 HB2 LEU 57 - HD3 LYS 39 far 0 57 0 - 10.0-14.7 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 2.2-3.0 2.9=100 * HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 - HD3 LYS 32 far 4 78 5 - 4.4-30.8 HG3 LYS 13 - HD2 LYS 32 far 0 78 0 - 5.1-31.4 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 5.2-33.5 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 6.6-31.8 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 7.4-11.5 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.6-11.0 HG3 LYS 85 - HG2 ARG 71 far 0 66 0 - 8.6-36.1 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 8.7-12.6 HB3 LEU 52 - HD3 LYS 39 far 0 62 0 - 8.8-13.7 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 9.2-13.1 QB ALA 63 - HD3 LYS 32 far 0 99 0 - 9.6-14.7 HB3 LEU 52 - HD2 LYS 39 far 0 64 0 - 9.6-13.7 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 43 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 2.2-3.0 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 HG2 LYS 75 - HD3 LYS 73 far 15 100 15 - 3.4-12.9 HG2 LYS 75 - HD2 LYS 73 far 15 100 15 - 3.4-12.3 HG3 LYS 75 - HD2 LYS 73 far 15 100 15 - 4.1-11.8 HB3 ARG 69 - HD3 LYS 73 far 10 99 10 - 4.2-11.1 QB ALA 77 - HG2 ARG 71 far 9 91 10 - 4.4-15.2 HG3 ARG 69 - HD2 LYS 73 lone 8 97 40 20 2.6-9.4 2818/3.5=6, 2818/3.5=6...(5) HG3 ARG 69 - HD3 LYS 73 poor 5 97 25 21 2.7-9.4 2818/3.5=6, 2818/3.5=6...(6) QB ALA 78 - HD2 LYS 73 far 5 100 5 - 4.1-16.7 QB ALA 78 - HD3 LYS 73 far 5 100 5 - 4.2-16.1 HG3 LYS 75 - HD3 LYS 73 far 5 100 5 - 4.2-12.2 HB3 ARG 69 - HD2 LYS 73 far 5 99 5 - 4.6-11.5 QB ALA 77 - HD3 LYS 73 far 5 96 5 - 3.6-14.8 HG2 LYS 83 - HD2 LYS 73 far 4 85 5 - 4.3-27.9 QB ALA 77 - HD2 LYS 73 far 0 96 0 - 4.8-15.2 QB ALA 20 - HG2 ARG 71 far 0 94 0 - 5.0-19.8 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 5.1-14.6 HG2 LYS 83 - HD3 LYS 73 far 0 85 0 - 5.6-27.4 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 6.2-20.4 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.4-10.3 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.4-14.9 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 6.4-19.0 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 6.5-25.5 QB ALA 16 - HD3 LYS 32 far 0 63 0 - 6.5-25.3 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 6.7-10.2 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 6.8-20.7 HG2 LYS 83 - HG2 ARG 71 far 0 80 0 - 7.5-29.5 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.8-16.8 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-11.4 QB ALA 16 - HG2 ARG 71 far 0 58 0 - 8.0-24.9 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 8.1-17.8 HB3 ARG 69 - HD2 LYS 39 far 0 63 0 - 8.2-13.9 HB3 ARG 69 - HD3 LYS 39 far 0 60 0 - 8.3-13.7 QB ALA 16 - HD3 LYS 73 far 0 63 0 - 8.5-24.9 HG3 LYS 39 - HD2 LYS 73 far 0 89 0 - 8.6-16.7 HG3 LYS 39 - HD3 LYS 73 far 0 89 0 - 9.0-17.4 QB ALA 16 - HD2 LYS 73 far 0 63 0 - 9.5-26.0 QB ALA 53 - HD3 LYS 39 far 0 62 0 - 9.7-13.1 HG2 LYS 85 - HG2 ARG 71 far 0 94 0 - 9.8-34.5 QB ALA 20 - HD3 LYS 73 far 0 97 0 - 9.9-20.6 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 35 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 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 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 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 9 93 10 - 2.9-31.6 HE3 LYS 13 - HD3 LYS 32 far 5 94 5 - 4.3-31.7 HE2 LYS 13 - HD2 LYS 32 far 5 93 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 68 5 - 4.0-18.5 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 4.6-12.8 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 64 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 93 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 68 0 - 9.9-18.2 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 35 assignments used, quality = 1.00: HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 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 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 9 92 10 - 2.9-31.6 HE3 LYS 13 - HD3 LYS 32 far 5 93 5 - 4.3-31.7 HE2 LYS 13 - HD2 LYS 32 far 5 92 5 - 4.4-32.2 HB3 TYR 81 - HD2 LYS 73 far 3 65 5 - 4.0-18.5 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 4.5-14.2 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 4.6-12.8 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 4.7-32.4 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 5.0-17.0 HE2 LYS 75 - HD3 LYS 73 far 0 98 0 - 5.5-13.9 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 5.5-17.1 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 5.5-18.6 HE3 LYS 75 - HD2 LYS 73 far 0 99 0 - 5.5-13.0 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 5.7-30.5 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 6.2-30.9 HB3 TYR 81 - HG2 ARG 71 far 0 61 0 - 6.8-24.4 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 6.8-30.7 HE2 LYS 13 - HD3 LYS 39 far 0 52 0 - 7.6-30.1 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 8.2-11.5 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 8.7-12.9 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 8.7-12.6 HB3 TYR 55 - HD2 LYS 32 far 0 95 0 - 9.4-13.4 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.5-13.2 HE3 LYS 39 - HD2 LYS 73 far 0 65 0 - 9.9-18.2 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 26 assignments used, quality = 1.00: HB2 LYS 73 + HE3 LYS 73 OK 97 100 100 97 2.7-4.7 4.7=42, 3020/3.0=31...(43) * HB2 LYS 73 + HE2 LYS 73 OK 97 100 100 97 2.4-4.8 4.7=42, 3020/3.0=31...(43) HB2 LYS 75 + HE2 LYS 75 OK 73 79 95 97 2.2-5.1 5.0=36, 3118/2.9=19...(39) HB2 LYS 75 + HE3 LYS 75 OK 70 80 90 97 2.2-5.0 5.0=36, 3118/2.9=19...(39) HB2 LYS 75 - HE3 LYS 73 poor 6 83 30 22 2.4-10.9 2974/3.0=3, 2974/3.0=3...(9) HB2 ARG 17 - HE2 LYS 32 far 4 89 5 - 5.0-29.8 HB2 LYS 75 - HE2 LYS 73 poor 4 83 25 20 2.8-12.1 2974/3.0=3, 2974/3.0=3...(9) HB2 ARG 69 - HE2 LYS 73 far 4 83 5 - 4.9-12.3 HB2 ARG 23 - HE3 LYS 75 far 4 71 5 - 3.0-23.9 HB2 ARG 23 - HE2 LYS 75 far 4 70 5 - 2.8-25.3 HB3 ARG 23 - HE3 LYS 75 far 3 68 5 - 4.6-24.5 HB3 ARG 23 - HE2 LYS 75 far 3 68 5 - 4.3-24.1 HB2 ARG 17 - HE2 LYS 13 far 0 75 0 - 5.8-18.1 HB2 ARG 17 - HE3 LYS 32 far 0 89 0 - 6.4-30.9 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 6.5-12.0 HB2 LYS 73 - HE2 LYS 75 far 0 99 0 - 6.5-11.9 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 6.6-11.3 HB2 ARG 17 - HE3 LYS 39 far 0 54 0 - 7.0-28.3 HB2 ARG 17 - HE3 LYS 13 far 0 76 0 - 7.4-17.9 HB2 ARG 69 - HE3 LYS 75 far 0 80 0 - 7.9-17.1 HB ILE 89 - HE2 LYS 32 far 0 100 0 - 8.0-60.9 HB2 ARG 17 - HE2 LYS 39 far 0 59 0 - 8.4-26.9 HB ILE 89 - HE3 LYS 32 far 0 100 0 - 8.8-59.5 HB2 ARG 69 - HE2 LYS 75 far 0 79 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 50 0 - 9.2-15.0 HB2 ARG 69 - HE2 LYS 39 far 0 54 0 - 9.4-15.1 Violated in 4 structures by 0.01 A. Peak 3031 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 12 out of 66 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 97 100 100 98 2.0-4.8 4.6=42, 2.9/1628=25...(43) HB3 LYS 32 + HE3 LYS 32 OK 97 100 100 98 2.4-4.6 4.6=42, 2.9/1628=25...(43) HB2 LYS 32 + HE3 LYS 32 OK 97 100 100 98 2.5-4.7 4.6=42, 2.9/1628=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 92 100 95 98 2.0-5.3 4.6=42, 2.9/1628=25...(43) HB3 LYS 75 + HE3 LYS 75 OK 91 95 100 95 2.4-4.7 5.0=33, ~3128=16...(36) HB3 LYS 73 + HE3 LYS 73 OK 88 100 95 92 3.1-5.1 4.7=39, 2.9/3042=16...(30) HB2 LYS 13 + HE3 LYS 13 OK 79 84 100 94 2.1-4.8 5.2=28, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 77 95 85 95 3.2-5.4 5.0=33, ~3128=16...(36) * HB3 LYS 73 + HE2 LYS 73 OK 74 100 80 92 2.6-5.4 4.7=39, 2.9/3042=16...(30) HB3 LYS 39 + HE2 LYS 39 OK 67 72 95 97 3.4-5.0 4.7=39, ~1916=15...(40) HB2 LYS 13 + HE2 LYS 13 OK 66 82 85 95 2.2-5.4 5.2=28, 1002/2.9=15...(37) HB3 LYS 39 + HE3 LYS 39 OK 62 67 95 97 1.9-5.0 4.7=39, ~1906=15...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 97 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 97 30 27 2.3-11.0 2982/3.7=3, 2985/3.0=2...(14) HB2 LYS 13 - HE2 LYS 32 far 5 96 5 - 4.8-30.7 HB2 LYS 13 - HE3 LYS 32 far 5 96 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 39 far 3 66 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 39 far 3 61 5 - 4.6-32.3 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 4.9-12.3 HG3 ARG 71 - HE2 LYS 75 far 0 65 0 - 5.0-17.8 HB3 LYS 32 - HE2 LYS 13 far 0 89 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 66 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 89 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 73 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 66 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 58 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 100 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 96 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 57 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 48 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 90 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 57 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 100 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 96 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 84 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 68 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 69 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 49 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 68 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 87 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 53 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 89 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 86 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 97 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 82 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 64 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 68 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 41 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 97 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 68 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 45 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 9.9-13.2 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 16 assignments used, quality = 1.00: * HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 99 2.2-4.1 3.7=88, 2.9/3040=16...(48) HG2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.1-3.6 3.7=88, 2.9/3040=16...(48) HG3 LYS 13 + HE3 LYS 13 OK 65 66 100 99 2.4-4.2 3.8=81, 1054/2.9=20...(51) HG3 LYS 13 + HE2 LYS 13 OK 64 65 100 99 2.2-4.2 3.8=81, 1054/2.9=20...(51) HG2 LYS 73 - HE2 LYS 75 far 5 99 5 - 4.6-12.0 HG3 LYS 13 - HE2 LYS 32 far 4 78 5 - 4.7-31.2 HG2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.1-12.0 HG3 LYS 13 - HE2 LYS 39 far 0 50 0 - 5.5-31.7 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.2-32.3 HG3 LYS 13 - HE3 LYS 39 far 0 46 0 - 6.4-33.4 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 7.8-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 8.0-13.8 HB3 LEU 52 - HE2 LYS 39 far 0 72 0 - 9.0-14.5 HB3 LEU 52 - HE3 LYS 39 far 0 67 0 - 9.1-15.0 QB ALA 63 - HE3 LYS 32 far 0 99 0 - 9.6-14.7 HB3 LEU 57 - HE2 LYS 39 far 0 68 0 - 9.6-15.3 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 57 assignments used, quality = 1.00: HG2 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.1-4.2 3.5=80, 2.7/3030=10...(62) HG3 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.2-3.7 3.5=80, 2.7/3030=10...(62) HG3 LYS 75 + HE2 LYS 75 OK 97 99 100 98 2.0-4.2 3.5=80, 2.7/3030=10...(62) HG2 LYS 75 + HE2 LYS 75 OK 97 99 100 98 2.2-3.8 3.5=80, 2.7/3030=10...(62) * HG3 LYS 73 + HE2 LYS 73 OK 95 100 100 95 2.0-4.0 3.7=68, 2.9/3040=13...(50) HG3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.0-4.2 3.7=68, 2.9/3040=13...(50) HG3 LYS 39 + HE2 LYS 39 OK 58 59 100 99 2.1-4.2 3.6=75, 1878/3.0=26...(59) HG3 LYS 39 + HE3 LYS 39 OK 54 54 100 99 2.0-3.7 3.6=75, 1878/3.0=26...(59) HG2 LYS 75 - HE3 LYS 73 far 15 100 15 - 3.8-12.7 HG3 ARG 69 - HE2 LYS 73 far 14 97 15 - 2.0-10.8 HG2 LYS 75 - HE2 LYS 73 far 10 100 10 - 2.1-13.5 HG3 LYS 75 - HE3 LYS 73 far 10 100 10 - 2.7-12.2 HG3 LYS 75 - HE2 LYS 73 far 10 100 10 - 3.7-13.0 HG3 LYS 73 - HE3 LYS 75 far 10 99 10 - 3.8-12.9 HG3 ARG 69 - HE3 LYS 73 far 10 97 10 - 3.8-10.2 QB ALA 20 - HE3 LYS 75 far 10 95 10 - 3.9-24.5 QB ALA 20 - HE2 LYS 75 far 9 95 10 - 3.7-25.8 QB ALA 16 - HE2 LYS 13 far 5 51 10 - 3.1-12.9 QB ALA 78 - HE2 LYS 73 far 5 100 5 - 3.9-17.1 HB3 ARG 69 - HE2 LYS 73 far 5 99 5 - 3.9-12.2 HG3 LYS 73 - HE2 LYS 75 far 5 99 5 - 4.2-13.1 QB ALA 77 - HE2 LYS 73 far 5 96 5 - 4.1-15.3 QB ALA 16 - HE3 LYS 13 far 3 52 5 - 3.6-12.5 QB ALA 78 - HE3 LYS 73 far 0 100 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 85 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 96 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 85 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 99 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 6.7-13.3 QB ALA 16 - HE2 LYS 32 far 0 63 0 - 7.2-25.4 QB ALA 20 - HE3 LYS 13 far 0 86 0 - 7.3-22.9 QB ALA 16 - HE3 LYS 32 far 0 63 0 - 7.4-26.5 HG3 LYS 39 - HE3 LYS 13 far 0 76 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-16.2 QB ALA 16 - HE2 LYS 39 far 0 39 0 - 7.6-21.3 QB ALA 20 - HE2 LYS 13 far 0 85 0 - 7.6-23.2 QB ALA 16 - HE3 LYS 39 far 0 36 0 - 8.0-22.0 QB ALA 20 - HE3 LYS 39 far 0 63 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 66 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 97 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 97 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 71 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 75 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 67 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 62 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 72 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 67 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 68 0 - 9.5-18.2 QB ALA 16 - HE2 LYS 75 far 0 60 0 - 9.7-29.9 QB ALA 16 - HE3 LYS 75 far 0 60 0 - 9.8-29.5 QB ALA 16 - HE2 LYS 73 far 0 63 0 - 9.8-25.4 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 60 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) * HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 32 - HE2 LYS 13 far 9 90 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 84 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 85 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 94 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 77 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 68 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 76 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 85 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 94 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 65 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 78 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 66 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 65 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 67 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 68 0 - 9.9-18.2 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 60 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) * HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 36 41 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 34 39 100 88 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 33 37 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 31 36 100 88 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 32 - HE2 LYS 13 far 9 90 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 84 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 85 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 94 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 77 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 70 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 68 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 64 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 76 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 85 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 94 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 65 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 78 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 66 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 65 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 67 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 68 0 - 9.9-18.2 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 26 assignments used, quality = 1.00: * HB2 LYS 73 + HE3 LYS 73 OK 97 100 100 97 2.7-4.7 4.7=42, 3020/3.0=31...(43) HB2 LYS 73 + HE2 LYS 73 OK 97 100 100 97 2.4-4.8 4.7=42, 3020/3.0=31...(43) HB2 LYS 75 + HE2 LYS 75 OK 72 78 95 97 2.2-5.1 5.0=36, 3118/2.9=19...(39) HB2 LYS 75 + HE3 LYS 75 OK 69 79 90 97 2.2-5.0 5.0=36, 3118/2.9=19...(39) HB2 LYS 75 - HE3 LYS 73 poor 6 83 30 22 2.4-10.9 2974/3.0=3, 2974/3.0=3...(9) HB2 ARG 17 - HE2 LYS 32 far 4 89 5 - 5.0-29.8 HB2 LYS 75 - HE2 LYS 73 poor 4 83 25 20 2.8-12.1 2974/3.0=3, 2974/3.0=3...(9) HB2 ARG 69 - HE2 LYS 73 far 4 83 5 - 4.9-12.3 HB2 ARG 23 - HE3 LYS 75 far 4 70 5 - 3.0-23.9 HB2 ARG 23 - HE2 LYS 75 far 3 69 5 - 2.8-25.3 HB3 ARG 23 - HE3 LYS 75 far 3 68 5 - 4.6-24.5 HB3 ARG 23 - HE2 LYS 75 far 3 67 5 - 4.3-24.1 HB2 ARG 17 - HE2 LYS 13 far 0 73 0 - 5.8-18.1 HB2 ARG 17 - HE3 LYS 32 far 0 88 0 - 6.4-30.9 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 6.5-12.0 HB2 LYS 73 - HE2 LYS 75 far 0 98 0 - 6.5-11.9 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 6.6-11.3 HB2 ARG 17 - HE3 LYS 39 far 0 52 0 - 7.0-28.3 HB2 ARG 17 - HE3 LYS 13 far 0 75 0 - 7.4-17.9 HB2 ARG 69 - HE3 LYS 75 far 0 79 0 - 7.9-17.1 HB ILE 89 - HE2 LYS 32 far 0 100 0 - 8.0-60.9 HB2 ARG 17 - HE2 LYS 39 far 0 57 0 - 8.4-26.9 HB ILE 89 - HE3 LYS 32 far 0 100 0 - 8.8-59.5 HB2 ARG 69 - HE2 LYS 75 far 0 78 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 47 0 - 9.2-15.0 HB2 ARG 69 - HE2 LYS 39 far 0 52 0 - 9.4-15.1 Violated in 4 structures by 0.01 A. Peak 3041 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 12 out of 66 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 97 100 100 98 2.0-4.8 4.6=42, 2.9/1628=25...(43) HB3 LYS 32 + HE3 LYS 32 OK 97 100 100 98 2.4-4.6 4.6=42, 2.9/1628=25...(43) HB2 LYS 32 + HE3 LYS 32 OK 97 100 100 98 2.5-4.7 4.6=42, 2.9/1628=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 92 100 95 98 2.0-5.3 4.6=42, 2.9/1628=25...(43) HB3 LYS 75 + HE3 LYS 75 OK 90 95 100 95 2.4-4.7 5.0=33, ~3128=16...(36) * HB3 LYS 73 + HE3 LYS 73 OK 88 100 95 92 3.1-5.1 4.7=39, 2.9/3042=16...(30) HB2 LYS 13 + HE3 LYS 13 OK 77 82 100 94 2.1-4.8 5.2=28, 1002/2.9=15...(37) HB3 LYS 75 + HE2 LYS 75 OK 76 94 85 95 3.2-5.4 5.0=33, ~3128=16...(36) HB3 LYS 73 + HE2 LYS 73 OK 74 100 80 92 2.6-5.4 4.7=39, 2.9/3042=16...(30) HB2 LYS 13 + HE2 LYS 13 OK 65 81 85 95 2.2-5.4 5.2=28, 1002/2.9=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 64 70 95 97 3.4-5.0 4.7=39, ~1916=15...(40) HB3 LYS 39 + HE3 LYS 39 OK 59 64 95 97 1.9-5.0 4.7=39, ~1906=15...(40) HB3 LYS 75 - HE3 LYS 73 poor 19 97 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 97 30 27 2.3-11.0 2982/3.7=3, 2985/3.0=2...(14) HB2 LYS 13 - HE2 LYS 32 far 5 96 5 - 4.8-30.7 HB2 LYS 13 - HE3 LYS 32 far 5 95 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 39 far 3 63 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 39 far 3 58 5 - 4.6-32.3 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 4.9-12.3 HG3 ARG 71 - HE2 LYS 75 far 0 64 0 - 5.0-17.8 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 89 0 - 5.5-31.3 HG3 ARG 71 - HE3 LYS 75 far 0 65 0 - 5.6-17.9 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 6.4-12.4 HG3 ARG 26 - HE3 LYS 75 far 0 57 0 - 6.5-28.9 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 58 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 100 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 96 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 55 0 - 7.2-12.1 HG3 ARG 26 - HE2 LYS 13 far 0 47 0 - 7.2-28.9 HB3 LYS 39 - HE3 LYS 13 far 0 89 0 - 7.2-30.5 HG3 ARG 26 - HE2 LYS 75 far 0 56 0 - 7.3-28.3 HB2 LYS 83 - HE3 LYS 73 far 0 100 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 96 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 82 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 65 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 67 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 7.5-10.4 HG3 ARG 26 - HE3 LYS 13 far 0 48 0 - 7.8-28.7 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 68 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 86 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 50 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 84 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 97 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 81 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 61 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 67 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 39 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 96 0 - 9.3-14.6 HG3 ARG 71 - HE2 LYS 73 far 0 68 0 - 9.3-13.4 HB2 ARG 69 - HE2 LYS 39 far 0 43 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 65 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.7-16.0 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 9.9-13.2 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 16 assignments used, quality = 1.00: HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 99 2.2-4.1 3.7=88, 2.9/3040=16...(48) * HG2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.1-3.6 3.7=88, 2.9/3040=16...(48) HG3 LYS 13 + HE3 LYS 13 OK 64 65 100 99 2.4-4.2 3.8=81, 1054/2.9=20...(51) HG3 LYS 13 + HE2 LYS 13 OK 62 63 100 99 2.2-4.2 3.8=81, 1054/2.9=20...(51) HG2 LYS 73 - HE2 LYS 75 far 5 98 5 - 4.6-12.0 HG3 LYS 13 - HE2 LYS 32 far 4 78 5 - 4.7-31.2 HG2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.1-12.0 HG3 LYS 13 - HE2 LYS 39 far 0 48 0 - 5.5-31.7 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.2-32.3 HG3 LYS 13 - HE3 LYS 39 far 0 44 0 - 6.4-33.4 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 7.8-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 8.0-13.8 HB3 LEU 52 - HE2 LYS 39 far 0 70 0 - 9.0-14.5 HB3 LEU 52 - HE3 LYS 39 far 0 64 0 - 9.1-15.0 QB ALA 63 - HE3 LYS 32 far 0 99 0 - 9.6-14.7 HB3 LEU 57 - HE2 LYS 39 far 0 66 0 - 9.6-15.3 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 57 assignments used, quality = 1.00: HG2 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.1-4.2 3.5=80, 2.7/3030=10...(62) HG3 LYS 75 + HE3 LYS 75 OK 97 99 100 98 2.2-3.7 3.5=80, 2.7/3030=10...(62) HG3 LYS 75 + HE2 LYS 75 OK 96 98 100 98 2.0-4.2 3.5=80, 2.7/3030=10...(62) HG2 LYS 75 + HE2 LYS 75 OK 96 98 100 98 2.2-3.8 3.5=80, 2.7/3030=10...(62) HG3 LYS 73 + HE2 LYS 73 OK 95 100 100 95 2.0-4.0 3.7=68, 2.9/3040=13...(50) * HG3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.0-4.2 3.7=68, 2.9/3040=13...(50) HG3 LYS 39 + HE2 LYS 39 OK 56 57 100 99 2.1-4.2 3.6=75, 1878/3.0=26...(59) HG3 LYS 39 + HE3 LYS 39 OK 51 52 100 99 2.0-3.7 3.6=75, 1878/3.0=26...(58) HG2 LYS 75 - HE3 LYS 73 far 15 100 15 - 3.8-12.7 HG3 ARG 69 - HE2 LYS 73 far 14 97 15 - 2.0-10.8 HG2 LYS 75 - HE2 LYS 73 far 10 100 10 - 2.1-13.5 HG3 LYS 75 - HE3 LYS 73 far 10 100 10 - 2.7-12.2 HG3 LYS 75 - HE2 LYS 73 far 10 100 10 - 3.7-13.0 HG3 LYS 73 - HE3 LYS 75 far 10 99 10 - 3.8-12.9 HG3 ARG 69 - HE3 LYS 73 far 10 97 10 - 3.8-10.2 QB ALA 20 - HE3 LYS 75 far 9 95 10 - 3.9-24.5 QB ALA 20 - HE2 LYS 75 far 9 94 10 - 3.7-25.8 QB ALA 78 - HE2 LYS 73 far 5 100 5 - 3.9-17.1 QB ALA 16 - HE2 LYS 13 far 5 49 10 - 3.1-12.9 HB3 ARG 69 - HE2 LYS 73 far 5 99 5 - 3.9-12.2 HG3 LYS 73 - HE2 LYS 75 far 5 98 5 - 4.2-13.1 QB ALA 77 - HE2 LYS 73 far 5 96 5 - 4.1-15.3 QB ALA 16 - HE3 LYS 13 far 3 51 5 - 3.6-12.5 QB ALA 78 - HE3 LYS 73 far 0 100 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 85 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 96 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 85 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 92 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 98 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 6.7-13.3 QB ALA 16 - HE2 LYS 32 far 0 63 0 - 7.2-25.4 QB ALA 20 - HE3 LYS 13 far 0 85 0 - 7.3-22.9 QB ALA 16 - HE3 LYS 32 far 0 63 0 - 7.4-26.5 HG3 LYS 39 - HE3 LYS 13 far 0 75 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 93 0 - 7.5-16.2 QB ALA 16 - HE2 LYS 39 far 0 37 0 - 7.6-21.3 QB ALA 20 - HE2 LYS 13 far 0 83 0 - 7.6-23.2 QB ALA 16 - HE3 LYS 39 far 0 34 0 - 8.0-22.0 QB ALA 20 - HE3 LYS 39 far 0 61 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 63 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 96 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 97 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 68 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 73 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 65 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 60 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 70 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 64 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 66 0 - 9.5-18.2 QB ALA 16 - HE2 LYS 75 far 0 59 0 - 9.7-29.9 QB ALA 16 - HE3 LYS 75 far 0 60 0 - 9.8-29.5 QB ALA 16 - HE2 LYS 73 far 0 63 0 - 9.8-25.4 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 60 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) * HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 34 39 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 32 37 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 31 36 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 30 34 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 32 - HE2 LYS 13 far 9 88 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 82 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 84 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 74 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 49 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 94 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 86 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 76 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 68 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 67 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 61 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 75 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 84 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 93 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 62 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 77 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 65 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 63 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 65 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 65 0 - 9.9-18.2 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 60 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD3 LYS 32 + HE2 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(36) HD2 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.2-3.0 3.0=71, 3.0/1629=14...(35) HD3 LYS 32 + HE3 LYS 32 OK 92 100 100 92 2.4-3.0 3.0=71, 3.0/1629=14...(35) * HD3 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE3 LYS 73 OK 85 100 100 85 2.3-3.0 3.0=71, 2.9/3042=9...(19) HD3 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.2-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 73 + HE2 LYS 73 OK 85 100 100 85 2.4-3.0 3.0=71, 2.9/3042=9...(19) HD2 LYS 39 + HE2 LYS 39 OK 34 39 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 32 37 100 87 2.2-3.0 3.0=71, 1886/3.6=11...(23) HD2 LYS 39 + HE3 LYS 39 OK 31 36 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 39 + HE3 LYS 39 OK 30 34 100 87 2.3-3.0 3.0=71, 1886/3.6=11...(23) HD3 LYS 32 - HE2 LYS 13 far 9 88 10 - 2.9-31.6 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 4.3-8.7 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.3-31.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 4.4-9.5 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.4-32.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 4.5-14.2 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 4.6-12.8 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.7-32.4 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 5.0-17.0 HD3 LYS 73 - HE2 LYS 75 far 0 98 0 - 5.5-13.9 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 5.5-17.1 HD2 LYS 73 - HE3 LYS 75 far 0 99 0 - 5.5-13.0 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 5.6-11.9 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 5.7-30.5 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 5.8-31.8 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 6.1-11.9 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 6.2-20.1 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 6.2-30.9 HG2 ARG 26 - HE2 LYS 13 far 0 82 0 - 6.4-30.0 HG2 ARG 26 - HE3 LYS 13 far 0 84 0 - 6.7-29.8 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 6.8-32.1 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 6.8-30.7 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.0-33.0 HG3 ARG 27 - HE2 LYS 75 far 0 74 0 - 7.1-24.8 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 7.3-19.1 HD3 LYS 39 - HE2 LYS 13 far 0 49 0 - 7.6-30.1 HG3 ARG 70 - HE3 LYS 75 far 0 99 0 - 7.8-17.0 HG2 ARG 26 - HE3 LYS 75 far 0 94 0 - 7.9-28.6 HG3 ARG 17 - HE3 LYS 13 far 0 86 0 - 7.9-19.8 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 8.0-16.9 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.2-33.3 HG2 ARG 27 - HE2 LYS 75 far 0 76 0 - 8.5-24.6 HG2 ARG 17 - HE2 LYS 39 far 0 68 0 - 8.6-27.6 HG2 ARG 27 - HE3 LYS 13 far 0 67 0 - 8.7-29.2 HG3 ARG 17 - HE3 LYS 39 far 0 61 0 - 8.7-28.8 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 8.7-12.9 HG3 ARG 27 - HE3 LYS 75 far 0 75 0 - 8.8-24.9 HB3 LEU 51 - HE3 LYS 13 far 0 84 0 - 8.8-31.8 HG2 ARG 26 - HE2 LYS 75 far 0 93 0 - 8.8-29.4 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.0-18.7 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 9.1-27.9 HG2 ARG 17 - HE3 LYS 39 far 0 62 0 - 9.3-29.0 HG2 ARG 27 - HE3 LYS 75 far 0 77 0 - 9.4-24.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.5-13.2 HG3 ARG 27 - HE3 LYS 13 far 0 65 0 - 9.5-29.7 HG3 ARG 27 - HE2 LYS 13 far 0 63 0 - 9.8-30.6 HG2 ARG 27 - HE2 LYS 13 far 0 65 0 - 9.9-30.5 HD2 LYS 73 - HE3 LYS 39 far 0 65 0 - 9.9-18.2 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 6 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 HB2 ASN 74 - HA ASN 80 far 0 99 0 - 7.3-19.8 HB3 ASN 74 - HA ASN 80 far 0 55 0 - 8.8-18.6 HB3 ASP 67 - HA ASN 80 far 0 63 0 - 9.6-28.9 HB3 ASP 67 - HA ASN 74 far 0 65 0 - 9.7-13.1 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 7 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 HB3 ASN 80 - HA ASN 74 far 7 71 10 - 3.7-19.6 HB2 ASN 74 - HA ASN 80 far 0 55 0 - 7.3-19.8 HB3 ASN 74 - HA ASN 80 far 0 99 0 - 8.8-18.6 HB2 ASN 42 - HA ASN 80 far 0 71 0 - 9.0-27.6 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 2.1-3.9 4.0=100 H ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.3-4.1 4.0=100 H ALA 78 - HB3 ASN 74 far 6 57 10 - 5.2-13.0 H ALA 78 - HB2 ASN 74 far 0 100 0 - 6.2-14.4 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 4 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 HA ASN 80 - HB2 ASN 74 far 0 99 0 - 7.3-19.8 HA ASN 80 - HB3 ASN 74 far 0 55 0 - 8.8-18.6 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 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (6.90, 2.81, 38.52 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 74 + HB2 ASN 74 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.3-4.1 3.5=100 HD22 ASN 80 - HB2 ASN 74 far 10 99 10 - 4.3-19.3 HD22 ASN 80 - HB3 ASN 74 far 3 54 5 - 6.0-18.1 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (8.15, 2.78, 38.52 ppm; 4.71 A): 3 out of 6 assignments used, quality = 1.00: * H ASN 74 + HB3 ASN 74 OK 100 100 100 100 2.3-4.1 4.0=100 H ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.1-3.9 4.0=100 H ALA 78 + HB3 ASN 80 OK 22 68 45 72 4.2-9.7 3.6/15875=27, ~5874=20...(9) H ALA 78 - HB3 ASN 74 far 10 100 10 - 5.2-13.0 H ASN 74 - HB3 ASN 80 far 7 69 10 - 5.4-18.5 H ALA 78 - HB2 ASN 74 far 3 57 5 - 6.2-14.4 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 6 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 ASN 74 - HB3 ASN 80 far 7 69 10 - 3.7-19.6 HA ASN 80 - HB2 ASN 74 far 0 55 0 - 7.3-19.8 HA ASN 80 - HB3 ASN 74 far 0 99 0 - 8.8-18.6 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 2.2-3.6 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 - 6.8-21.2 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 2.3-4.1 3.5=100 HD22 ASN 80 + HB3 ASN 80 OK 65 65 100 100 3.4-4.1 3.5=100 HD22 ASN 74 + HB2 ASN 74 OK 57 57 100 100 3.4-4.1 3.5=100 HD22 ASN 80 - HB2 ASN 74 far 5 54 10 - 4.3-19.3 HD22 ASN 80 - HB3 ASN 74 far 5 99 5 - 6.0-18.1 HD22 ASN 74 - HB3 ASN 80 far 0 69 0 - 6.6-21.4 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 5 92 5 - 5.8-11.5 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 2.5-3.0 3.0=100 HB3 ARG 71 - HA LYS 75 far 5 97 5 - 4.8-12.3 HB2 ARG 71 - HA LYS 75 far 0 97 0 - 5.8-12.6 HB2 ARG 23 - HA LYS 75 far 0 100 0 - 6.4-24.3 HB2 LYS 73 - HA LYS 75 far 0 83 0 - 6.5-8.8 HB3 ARG 23 - HA LYS 75 far 0 100 0 - 8.2-22.7 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 0 97 0 - 4.9-8.1 HB2 ARG 69 - HA LYS 75 far 0 92 0 - 9.3-13.6 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 2.0-4.2 3.9=65, 4.9/3975=27...(54) HG3 LYS 75 + HA LYS 75 OK 98 100 100 98 2.2-3.8 3.9=65, 4.9/3975=27...(54) QB ALA 78 - HA LYS 75 poor 20 100 20 - 2.9-10.0 QB ALA 77 - HA LYS 75 far 14 93 15 - 4.0-7.2 QB ALA 20 - HA LYS 75 far 5 96 5 - 4.6-24.6 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 4.9-9.9 HG3 ARG 69 - HA LYS 75 far 0 95 0 - 7.7-13.4 HB3 ARG 69 - HA LYS 75 far 0 100 0 - 7.8-13.5 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 2.0-4.2 3.9=65, 4.9/3975=27...(54) * HG3 LYS 75 + HA LYS 75 OK 98 100 100 98 2.2-3.8 3.9=65, 4.9/3975=27...(54) QB ALA 78 - HA LYS 75 poor 20 100 20 - 2.9-10.0 QB ALA 77 - HA LYS 75 far 14 93 15 - 4.0-7.2 QB ALA 20 - HA LYS 75 far 5 96 5 - 4.6-24.6 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 4.9-9.9 HG3 ARG 69 - HA LYS 75 far 0 95 0 - 7.7-13.4 HB3 ARG 69 - HA LYS 75 far 0 100 0 - 7.8-13.5 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: HD3 LYS 75 + HA LYS 75 OK 100 100 100 100 2.6-4.6 4.7=59, 1.8/3117=36...(50) * HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.2-5.1 4.7=59, 1.8/3127=36...(50) HG2 ARG 23 - HA LYS 75 far 0 99 0 - 7.2-23.7 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: * HD3 LYS 75 + HA LYS 75 OK 100 100 100 100 2.6-4.6 4.7=59, 1.8/3117=36...(50) HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.2-5.1 4.7=59, 1.8/3127=36...(50) HG2 ARG 23 - HA LYS 75 far 0 99 0 - 7.2-23.7 Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (2.96, 4.24, 56.87 ppm; 5.58 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.3-6.2 6.4=66, 3.5/3070=47...(50) * HE3 LYS 75 + HA LYS 75 OK 100 100 100 100 2.9-5.9 6.4=66, 3.5/3070=47...(50) HE2 LYS 73 - HA LYS 75 poor 18 99 30 59 4.6-12.2 ~2920=11, 3.0/1883=7...(35) HE3 LYS 73 - HA LYS 75 poor 15 99 25 62 4.2-11.2 ~2920=11, 3.0/1883=7...(33) HB3 TYR 81 - HA LYS 75 far 0 85 0 - 7.8-13.9 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 2.1-3.8 4.0=100 H LYS 75 + HB2 LYS 73 OK 58 77 85 89 3.9-7.9 803=33, 4.6/324=29...(12) H ARG 71 - HB2 LYS 73 poor 17 65 40 64 5.2-7.7 3.6/15061=29, 942/787=17...(10) H ARG 71 - HB2 LYS 75 far 0 92 0 - 7.2-12.1 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 2.5-3.0 3.0=100 HA LYS 39 + HB2 LYS 39 OK 85 85 100 100 2.3-3.0 3.0=100 HA ALA 20 - HB2 LYS 75 far 4 89 5 - 4.5-26.5 HA THR 15 - HB2 LYS 39 far 4 87 5 - 3.9-27.6 HA ALA 77 - HB2 LYS 75 far 0 97 0 - 5.1-8.2 HA ALA 77 - HB2 LYS 73 far 0 70 0 - 5.2-15.6 HB THR 37 - HB2 LYS 75 far 0 81 0 - 6.0-18.8 HB THR 37 - HB2 LYS 73 far 0 55 0 - 6.2-13.5 HA LYS 75 - HB2 LYS 73 far 0 77 0 - 6.5-8.8 HB THR 37 - HB2 LYS 39 far 0 64 0 - 7.0-9.3 HA LYS 83 - HB2 LYS 73 far 0 77 0 - 7.7-23.2 HA GLU 19 - HB2 LYS 75 far 0 95 0 - 8.3-28.4 HA LYS 39 - HB2 LYS 73 far 0 75 0 - 9.2-14.2 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 15 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 poor 19 97 20 - 2.7-9.6 HB3 LYS 75 - HB2 LYS 73 far 0 77 0 - 4.7-10.1 HB2 ARG 69 - HB2 LYS 73 far 0 65 0 - 4.8-9.6 HB2 LYS 13 - HB2 LYS 39 far 0 87 0 - 5.5-30.4 HB2 LYS 83 - HB2 LYS 73 far 0 75 0 - 5.9-24.3 HG2 PRO 34 - HB2 LYS 39 far 0 48 0 - 6.4-12.4 HB2 ARG 69 - HB2 LYS 75 far 0 92 0 - 7.0-14.7 HB2 PRO 34 - HB2 LYS 39 far 0 84 0 - 7.3-12.5 HB ILE 33 - HB2 LYS 39 far 0 68 0 - 7.7-11.1 HB3 ARG 82 - HB2 LYS 73 far 0 53 0 - 7.8-21.2 HB2 ARG 54 - HB2 LYS 39 far 0 62 0 - 8.1-12.3 HB2 ARG 69 - HB2 LYS 39 far 0 75 0 - 8.4-12.1 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 22 assignments used, quality = 1.00: * HG2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 HB3 ARG 69 - HB2 LYS 73 poor 19 75 25 - 4.1-9.9 HG3 ARG 69 - HB2 LYS 73 poor 14 68 45 46 2.7-8.5 2818/1.8=10, 2816/4.0=9...(14) HG3 LYS 73 - HB2 LYS 75 poor 12 100 40 30 2.6-9.8 5892/4.0=5, ~2991=3...(12) QB ALA 77 - HB2 LYS 75 far 5 93 5 - 4.3-7.4 HG2 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.3-11.0 HG3 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.8-9.5 QB ALA 78 - HB2 LYS 73 far 4 77 5 - 4.0-15.3 QB ALA 77 - HB2 LYS 73 far 3 67 5 - 4.7-14.3 QB ALA 20 - HB2 LYS 75 far 0 96 0 - 5.1-23.6 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 5.2-14.3 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 5.2-10.7 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 5.2-14.7 HG2 LYS 83 - HB2 LYS 73 far 0 55 0 - 6.5-25.8 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 8.2-17.1 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 8.4-13.2 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 8.5-12.6 QB ALA 20 - HB2 LYS 73 far 0 69 0 - 9.6-18.9 QB ALA 53 - HB2 LYS 39 far 0 87 0 - 10.0-14.0 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 22 assignments used, quality = 1.00: HG2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 HB3 ARG 69 - HB2 LYS 73 poor 19 75 25 - 4.1-9.9 HG3 ARG 69 - HB2 LYS 73 poor 14 68 45 46 2.7-8.5 2818/1.8=10, 2816/4.0=9...(14) HG3 LYS 73 - HB2 LYS 75 poor 12 100 40 30 2.6-9.8 5892/4.0=5, ~2991=3...(12) QB ALA 77 - HB2 LYS 75 far 5 93 5 - 4.3-7.4 HG2 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.3-11.0 HG3 LYS 75 - HB2 LYS 73 far 4 77 5 - 4.8-9.5 QB ALA 78 - HB2 LYS 73 far 4 77 5 - 4.0-15.3 QB ALA 77 - HB2 LYS 73 far 3 67 5 - 4.7-14.3 QB ALA 20 - HB2 LYS 75 far 0 96 0 - 5.1-23.6 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 5.2-14.3 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 5.2-10.7 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 5.2-14.7 HG2 LYS 83 - HB2 LYS 73 far 0 55 0 - 6.5-25.8 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 8.2-17.1 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 8.4-13.2 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 8.5-12.6 QB ALA 20 - HB2 LYS 73 far 0 69 0 - 9.6-18.9 QB ALA 53 - HB2 LYS 39 far 0 87 0 - 10.0-14.0 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 8 assignments used, quality = 1.00: * HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-4.2 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 0 77 0 - 6.1-11.1 HG2 ARG 23 - HB2 LYS 75 far 0 99 0 - 6.2-24.3 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.7-10.9 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 7.1-32.0 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 8.4-30.4 HD3 LYS 13 - HB2 LYS 39 far 0 87 0 - 8.9-31.7 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 8 assignments used, quality = 1.00: HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-4.2 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 0 77 0 - 6.1-11.1 HG2 ARG 23 - HB2 LYS 75 far 0 99 0 - 6.2-24.3 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.7-10.9 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 7.1-32.0 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 8.4-30.4 HD3 LYS 13 - HB2 LYS 39 far 0 87 0 - 8.9-31.7 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 16 assignments used, quality = 1.00: * HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-5.1 5.0=84, 2.9/3118=44...(46) HE3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-5.0 5.0=84, 2.9/3118=44...(47) HE2 LYS 39 + HB2 LYS 39 OK 73 73 100 100 3.7-5.5 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.4-4.8 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.7-4.7 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 70 70 100 100 2.4-5.5 4.7=100 HE3 LYS 73 - HB2 LYS 75 poor 17 98 45 38 2.4-10.9 3075/3.0=3, 3.0/2922=3...(14) HE2 LYS 73 - HB2 LYS 75 poor 13 99 40 34 2.8-12.1 3075/3.0=4, 3.0/2922=3...(14) HB3 TYR 81 - HB2 LYS 73 far 3 60 5 - 5.3-16.5 HE3 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.5-12.0 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.5-11.9 HE3 LYS 13 - HB2 LYS 39 far 0 86 0 - 7.9-29.1 HB3 TYR 81 - HB2 LYS 75 far 0 87 0 - 8.7-15.0 HB3 TYR 55 - HB2 LYS 39 far 0 62 0 - 8.7-12.9 HE2 LYS 13 - HB2 LYS 39 far 0 85 0 - 8.9-30.7 HE3 LYS 73 - HB2 LYS 39 far 0 83 0 - 9.6-16.0 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 16 assignments used, quality = 1.00: * HE3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-5.0 5.0=84, 2.9/3118=44...(47) HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-5.1 5.0=84, 2.9/3118=44...(46) HE2 LYS 73 + HB2 LYS 73 OK 74 74 100 100 2.4-4.8 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.7-4.7 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 72 72 100 100 3.7-5.5 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 68 68 100 100 2.4-5.5 4.7=100 HE3 LYS 73 - HB2 LYS 75 poor 17 99 45 38 2.4-10.9 3075/3.0=3, 3.0/2922=3...(14) HE2 LYS 73 - HB2 LYS 75 poor 13 99 40 34 2.8-12.1 3075/3.0=4, 3.0/2922=3...(14) HB3 TYR 81 - HB2 LYS 73 far 3 59 5 - 5.3-16.5 HE3 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.5-12.0 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.5-11.9 HE3 LYS 13 - HB2 LYS 39 far 0 85 0 - 7.9-29.1 HB3 TYR 81 - HB2 LYS 75 far 0 85 0 - 8.7-15.0 HB3 TYR 55 - HB2 LYS 39 far 0 64 0 - 8.7-12.9 HE2 LYS 13 - HB2 LYS 39 far 0 85 0 - 8.9-30.7 HE3 LYS 73 - HB2 LYS 39 far 0 84 0 - 9.6-16.0 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (8.09, 1.79, 32.59 ppm; 4.14 A): 4 out of 8 assignments used, quality = 1.00: * H LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.1-4.1 4.0=100 H LYS 85 + HB2 LYS 85 OK 82 82 100 100 2.6-4.1 4.0=100 H LYS 75 + HB3 LYS 73 OK 73 93 90 88 2.2-6.9 803/1.8=29, 5849/2.9=26...(15) H ARG 71 + HB3 LYS 73 OK 21 81 40 65 4.3-7.5 3.6/5984=21, 942/788=19...(9) H LYS 85 - HB2 LYS 83 far 5 92 5 - 3.5-8.3 H ARG 71 - HB3 LYS 75 far 0 92 0 - 5.8-12.6 H ARG 71 - HB2 LYS 83 far 0 90 0 - 8.9-27.4 H LYS 75 - HB2 LYS 83 far 0 99 0 - 9.8-22.2 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 24 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 2.4-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.2-3.0 3.0=100 HA LYS 85 + HB2 LYS 85 OK 80 80 100 100 2.4-3.0 3.0=100 HA THR 15 - HB3 LYS 39 far 5 93 5 - 4.4-29.3 HA THR 15 - HB2 LYS 13 far 5 91 5 - 3.8-7.4 HA ALA 77 - HB3 LYS 73 far 4 86 5 - 4.6-14.5 HA ALA 12 - HB2 LYS 13 far 4 81 5 - 4.5-6.0 HA LYS 83 - HB2 LYS 85 far 0 92 0 - 4.7-9.4 HA LYS 75 - HB3 LYS 73 far 0 93 0 - 4.9-8.1 HA ALA 20 - HB3 LYS 75 far 0 89 0 - 5.4-28.2 HA ALA 77 - HB3 LYS 75 far 0 97 0 - 5.8-8.9 HA LYS 85 - HB2 LYS 83 far 0 90 0 - 5.8-8.9 HA LYS 39 - HB2 LYS 13 far 0 89 0 - 5.9-31.7 HB THR 37 - HB3 LYS 39 far 0 70 0 - 6.8-9.3 HB THR 37 - HB3 LYS 75 far 0 81 0 - 6.9-19.1 HB THR 37 - HB3 LYS 73 far 0 69 0 - 7.0-12.7 HA ALA 77 - HB2 LYS 83 far 0 95 0 - 7.2-17.1 HA LYS 83 - HB3 LYS 73 far 0 92 0 - 7.6-22.5 HA GLU 19 - HB3 LYS 39 far 0 85 0 - 8.5-22.3 HA GLU 19 - HB3 LYS 75 far 0 95 0 - 8.8-30.1 HB THR 37 - HB2 LYS 85 far 0 69 0 - 8.9-37.3 HA GLU 19 - HB2 LYS 13 far 0 82 0 - 9.1-20.3 HA ALA 12 - HB3 LYS 39 far 0 83 0 - 9.7-37.1 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 19 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 poor 19 93 20 - 2.7-9.6 HB3 ARG 71 - HB3 LYS 75 far 5 97 5 - 3.4-13.9 HB2 ARG 71 - HB3 LYS 75 far 0 97 0 - 4.3-14.1 HB2 LYS 73 - HB3 LYS 75 far 0 83 0 - 4.7-10.1 HB2 ARG 23 - HB3 LYS 75 far 0 100 0 - 5.1-25.3 HB2 LYS 39 - HB2 LYS 13 far 0 84 0 - 5.5-30.4 HB2 LYS 73 - HB2 LYS 83 far 0 81 0 - 5.9-24.3 HB2 ARG 71 - HB3 LYS 73 far 0 87 0 - 6.0-8.7 HB3 ARG 71 - HB3 LYS 73 far 0 86 0 - 6.3-9.2 HB3 ARG 23 - HB3 LYS 75 far 0 100 0 - 6.7-23.8 HB2 ARG 17 - HB2 LYS 13 far 0 91 0 - 7.1-16.0 HB2 ARG 27 - HB3 LYS 75 far 0 97 0 - 8.2-23.1 HB2 ARG 17 - HB3 LYS 39 far 0 93 0 - 8.5-25.8 HB3 ARG 27 - HB3 LYS 75 far 0 97 0 - 8.8-22.5 HB ILE 89 - HB2 LYS 85 far 0 73 0 - 9.0-14.6 HB3 ARG 71 - HB2 LYS 83 far 0 95 0 - 9.3-28.4 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 34 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 2.3-3.0 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 100 100 2.4-3.0 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 100 100 2.3-3.0 2.9=100 HG3 ARG 69 - HB3 LYS 73 poor 17 84 20 - 3.4-6.8 HG3 LYS 73 - HB3 LYS 75 poor 11 100 35 30 2.6-9.2 5892/4.0=4, 5258/4346=3...(14) QB ALA 78 - HB2 LYS 83 far 5 99 5 - 4.5-12.0 HG3 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.6-9.6 HG2 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.7-9.7 HB3 ARG 69 - HB3 LYS 73 far 5 91 5 - 3.4-8.2 HG2 LYS 83 - HB2 LYS 85 far 3 69 5 - 4.5-10.5 QB ALA 20 - HB3 LYS 75 far 0 96 0 - 4.9-25.0 QB ALA 77 - HB3 LYS 73 far 0 82 0 - 5.1-13.4 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 5.2-7.7 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 5.3-11.0 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 5.3-31.2 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 5.3-14.3 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 5.4-15.4 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 6.2-14.1 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 6.6-13.5 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 6.7-11.5 HG3 LYS 73 - HB2 LYS 83 far 0 99 0 - 6.7-25.1 HG2 LYS 83 - HB3 LYS 73 far 0 69 0 - 7.2-26.0 QB ALA 78 - HB2 LYS 85 far 0 92 0 - 7.9-16.8 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 8.4-12.5 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 8.6-17.3 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 8.6-13.4 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 8.7-20.9 QB ALA 20 - HB3 LYS 73 far 0 85 0 - 8.8-20.1 HG3 ARG 69 - HB2 LYS 83 far 0 93 0 - 9.1-28.7 QB ALA 78 - HB3 LYS 39 far 0 93 0 - 9.9-22.3 QB ALA 53 - HB3 LYS 39 far 0 93 0 - 9.9-14.0 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 34 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 2.3-3.0 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 100 100 2.4-3.0 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 100 100 2.3-3.0 2.9=100 HG3 ARG 69 - HB3 LYS 73 poor 17 84 20 - 3.4-6.8 HG3 LYS 73 - HB3 LYS 75 poor 11 100 35 30 2.6-9.2 5892/4.0=4, 5258/4346=3...(14) QB ALA 78 - HB2 LYS 83 far 5 99 5 - 4.5-12.0 HG3 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.6-9.6 HG2 LYS 75 - HB3 LYS 73 far 5 93 5 - 3.7-9.7 HB3 ARG 69 - HB3 LYS 73 far 5 91 5 - 3.4-8.2 HG2 LYS 83 - HB2 LYS 85 far 3 69 5 - 4.5-10.5 QB ALA 20 - HB3 LYS 75 far 0 96 0 - 4.9-25.0 QB ALA 77 - HB3 LYS 73 far 0 82 0 - 5.1-13.4 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 5.2-7.7 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 5.3-11.0 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 5.3-31.2 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 5.3-14.3 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 5.4-15.4 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 6.2-14.1 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 6.6-13.5 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 6.7-11.5 HG3 LYS 73 - HB2 LYS 83 far 0 99 0 - 6.7-25.1 HG2 LYS 83 - HB3 LYS 73 far 0 69 0 - 7.2-26.0 QB ALA 78 - HB2 LYS 85 far 0 92 0 - 7.9-16.8 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 8.4-12.5 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 8.6-17.3 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 8.6-13.4 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 8.7-20.9 QB ALA 20 - HB3 LYS 73 far 0 85 0 - 8.8-20.1 HG3 ARG 69 - HB2 LYS 83 far 0 93 0 - 9.1-28.7 QB ALA 78 - HB3 LYS 39 far 0 93 0 - 9.9-22.3 QB ALA 53 - HB3 LYS 39 far 0 93 0 - 9.9-14.0 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 = 1.00: * HD2 LYS 75 + HB3 LYS 75 OK 82 100 95 87 2.2-4.2 3.5=38, 3118/1.8=20...(35) HD2 LYS 13 + HB2 LYS 13 OK 81 91 100 89 2.3-3.7 3.5=38, 1054/3.0=18...(34) HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 HD3 LYS 75 + HB3 LYS 75 OK 74 100 85 87 2.1-4.2 3.5=38, 3128/1.8=20...(35) HD3 LYS 13 + HB2 LYS 13 OK 73 91 90 89 2.1-4.2 3.5=38, 1054/3.0=18...(34) HG LEU 29 - HB2 LYS 13 far 0 86 0 - 4.7-27.7 HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.9-9.8 HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 5.4-10.6 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 5.7-33.7 HG2 ARG 23 - HB3 LYS 75 far 0 99 0 - 6.8-24.9 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 7.2-32.0 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 7.8-32.9 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 = 1.00: HD2 LYS 75 + HB3 LYS 75 OK 82 100 95 87 2.2-4.2 3.5=38, 3118/1.8=20...(35) HD2 LYS 13 + HB2 LYS 13 OK 81 91 100 89 2.3-3.7 3.5=38, 1054/3.0=18...(34) HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 * HD3 LYS 75 + HB3 LYS 75 OK 74 100 85 87 2.1-4.2 3.5=38, 3128/1.8=20...(35) HD3 LYS 13 + HB2 LYS 13 OK 73 91 90 89 2.1-4.2 3.5=38, 1054/3.0=18...(34) HG LEU 29 - HB2 LYS 13 far 0 86 0 - 4.7-27.7 HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 4.9-9.8 HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 5.4-10.6 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 5.7-33.7 HG2 ARG 23 - HB3 LYS 75 far 0 99 0 - 6.8-24.9 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 7.2-32.0 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 7.8-32.9 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 25 assignments used, quality = 1.00: HE3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.4-4.7 5.0=65, ~3128=26...(37) * HE2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 3.2-5.4 5.0=65, ~3128=26...(36) HE3 LYS 13 + HB2 LYS 13 OK 89 90 100 99 2.1-4.8 5.2=56, 1064/3.0=24...(37) HE2 LYS 73 + HB3 LYS 73 OK 89 89 100 100 2.6-5.4 4.7=77, ~3020=26...(35) HE2 LYS 13 + HB2 LYS 13 OK 89 89 100 99 2.2-5.4 5.2=56, 1064/3.0=24...(37) HE3 LYS 73 + HB3 LYS 73 OK 88 88 100 100 3.1-5.1 4.7=77, ~3020=26...(35) HE2 LYS 39 + HB3 LYS 39 OK 80 80 100 100 3.4-5.0 4.7=77, 1906/2.9=35...(46) HE3 LYS 39 + HB3 LYS 39 OK 76 76 100 100 1.9-5.0 4.7=77, 1906/2.9=35...(46) HE2 LYS 73 - HB3 LYS 75 poor 15 99 35 42 2.3-11.0 3.7/2982=4, 3075/3.0=3...(25) HE3 LYS 73 - HB3 LYS 75 poor 12 98 30 42 2.2-10.9 3.7/2982=4, 3.0/2984=3...(25) HE2 LYS 32 - HB2 LYS 13 far 9 88 10 - 4.8-30.7 HE3 LYS 32 - HB2 LYS 13 far 4 89 5 - 4.8-31.7 HB3 TYR 81 - HB2 LYS 83 far 4 85 5 - 5.7-10.2 HE2 LYS 39 - HB2 LYS 13 far 4 78 5 - 4.5-31.8 HE3 LYS 39 - HB2 LYS 13 far 4 74 5 - 4.6-32.3 HE3 LYS 75 - HB3 LYS 73 far 0 92 0 - 5.9-10.9 HE2 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 76 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 97 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 92 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 97 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 91 0 - 8.2-30.7 HB3 TYR 55 - HB3 LYS 39 far 0 68 0 - 9.3-13.3 HB3 TYR 81 - HB3 LYS 75 far 0 87 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 89 0 - 9.7-16.0 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 25 assignments used, quality = 1.00: * HE3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.4-4.7 5.0=65, ~3128=26...(37) HE2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 3.2-5.4 5.0=65, ~3128=26...(36) HE2 LYS 73 + HB3 LYS 73 OK 90 90 100 100 2.6-5.4 4.7=77, ~3020=26...(35) HE3 LYS 73 + HB3 LYS 73 OK 89 89 100 100 3.1-5.1 4.7=77, ~3020=26...(35) HE3 LYS 13 + HB2 LYS 13 OK 89 89 100 99 2.1-4.8 5.2=56, 1064/3.0=24...(37) HE2 LYS 13 + HB2 LYS 13 OK 88 89 100 99 2.2-5.4 5.2=56, 1064/3.0=24...(37) HE2 LYS 39 + HB3 LYS 39 OK 78 78 100 100 3.4-5.0 4.7=77, 1906/2.9=34...(46) HE3 LYS 39 + HB3 LYS 39 OK 74 74 100 100 1.9-5.0 4.7=77, 1906/2.9=34...(46) HE2 LYS 73 - HB3 LYS 75 poor 15 99 35 42 2.3-11.0 3.7/2982=4, 3075/3.0=3...(25) HE3 LYS 73 - HB3 LYS 75 poor 12 99 30 42 2.2-10.9 3.7/2982=4, 3.0/2984=3...(25) HE2 LYS 32 - HB2 LYS 13 far 9 89 10 - 4.8-30.7 HE3 LYS 32 - HB2 LYS 13 far 4 89 5 - 4.8-31.7 HB3 TYR 81 - HB2 LYS 83 far 4 83 5 - 5.7-10.2 HE2 LYS 39 - HB2 LYS 13 far 4 76 5 - 4.5-31.8 HE3 LYS 39 - HB2 LYS 13 far 4 72 5 - 4.6-32.3 HE3 LYS 75 - HB3 LYS 73 far 0 93 0 - 5.9-10.9 HE2 LYS 75 - HB3 LYS 73 far 0 92 0 - 6.2-11.3 HB3 TYR 81 - HB3 LYS 73 far 0 74 0 - 6.8-16.5 HE2 LYS 73 - HB2 LYS 83 far 0 98 0 - 7.1-26.7 HE3 LYS 13 - HB3 LYS 39 far 0 91 0 - 7.2-30.5 HE3 LYS 73 - HB2 LYS 83 far 0 97 0 - 7.3-26.1 HE2 LYS 13 - HB3 LYS 39 far 0 91 0 - 8.2-30.7 HB3 TYR 55 - HB3 LYS 39 far 0 70 0 - 9.3-13.3 HB3 TYR 81 - HB3 LYS 75 far 0 85 0 - 9.7-14.7 HE3 LYS 73 - HB3 LYS 39 far 0 90 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (4.24, 1.39, 24.91 ppm; 4.06 A): 3 out of 19 assignments used, quality = 1.00: * HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.0-4.2 3.9=100 HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.1-4.2 3.8=100 HA LYS 75 - HG3 LYS 73 poor 18 61 30 - 4.9-9.9 HA ALA 20 - HG2 LYS 75 far 4 89 5 - 4.9-26.7 HA ALA 20 - HG3 LYS 75 far 4 89 5 - 5.5-26.9 HA LYS 83 - HG2 LYS 85 far 3 59 5 - 5.1-10.1 HA ALA 77 - HG3 LYS 73 far 3 56 5 - 5.4-14.7 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 5.6-10.0 HA ALA 77 - HG2 LYS 75 far 0 97 0 - 6.2-10.1 HB THR 37 - HG2 LYS 75 far 0 81 0 - 6.5-19.3 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 6.7-30.5 HA GLU 19 - HG2 LYS 75 far 0 95 0 - 6.9-29.4 HB THR 37 - HG3 LYS 75 far 0 81 0 - 7.7-19.5 HB THR 37 - HG3 LYS 73 far 0 42 0 - 8.2-13.2 HA LYS 83 - HG3 LYS 73 far 0 61 0 - 8.5-24.5 HA LEU 64 - HG2 LYS 85 far 0 48 0 - 8.9-38.9 HA LYS 39 - HG3 LYS 73 far 0 59 0 - 9.4-12.9 HB THR 37 - HG2 LYS 85 far 0 41 0 - 9.6-39.6 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 21 assignments used, quality = 1.00: * HB2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB2 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.2-3.0 2.9=100 HB2 ARG 71 - HG3 LYS 75 far 15 97 15 - 3.7-13.9 HB3 ARG 71 - HG2 LYS 75 far 10 97 10 - 4.3-14.0 HB2 LYS 75 - HG3 LYS 73 poor 8 61 40 31 2.6-9.8 4.0/806=4, ~2982=3...(11) HB2 ARG 23 - HG3 LYS 75 far 5 100 5 - 3.0-23.6 HB2 ARG 23 - HG2 LYS 75 far 5 100 5 - 4.4-23.6 HB3 ARG 23 - HG3 LYS 75 far 5 100 5 - 4.6-22.1 HB2 ARG 71 - HG2 LYS 75 far 5 97 5 - 4.9-13.9 HB3 ARG 71 - HG3 LYS 75 far 5 97 5 - 3.4-13.6 HB2 LYS 73 - HG2 LYS 75 far 4 83 5 - 4.3-11.0 HB2 LYS 73 - HG3 LYS 75 far 4 83 5 - 4.8-9.5 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 6.0-22.1 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 6.7-9.9 HB ILE 89 - HG2 LYS 85 far 0 44 0 - 6.8-15.0 HB3 ARG 27 - HG2 LYS 75 far 0 97 0 - 7.3-22.6 HB2 ARG 27 - HG3 LYS 75 far 0 97 0 - 7.3-22.8 HB2 ARG 27 - HG2 LYS 75 far 0 97 0 - 7.6-22.2 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 7.7-10.4 HB3 ARG 27 - HG3 LYS 75 far 0 97 0 - 8.3-22.6 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 15 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 2.3-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.3-3.0 2.9=100 HB3 LYS 73 - HG2 LYS 75 far 10 97 10 - 3.7-9.7 HB3 LYS 75 - HG3 LYS 73 poor 9 61 40 35 2.6-9.2 2982/1.8=4, 2979/3.8=4...(16) HB3 LYS 73 - HG3 LYS 75 far 5 97 5 - 3.6-9.6 HB3 ARG 84 - HG2 LYS 85 far 2 49 5 - 4.2-7.9 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 5.4-9.7 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 6.7-11.5 HB2 LYS 83 - HG3 LYS 73 far 0 59 0 - 6.7-25.1 HB3 ARG 82 - HG3 LYS 73 far 0 41 0 - 6.7-23.4 HB2 ARG 69 - HG3 LYS 75 far 0 92 0 - 6.8-15.8 HB2 ARG 69 - HG2 LYS 75 far 0 92 0 - 7.0-16.2 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 9.0-14.5 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 10 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.2-11.3 HD3 LYS 75 - HG3 LYS 73 far 9 61 15 - 4.0-12.4 HG2 ARG 23 - HG3 LYS 75 far 5 99 5 - 4.5-24.1 HG2 ARG 23 - HG2 LYS 75 far 0 99 0 - 5.6-24.2 HG LEU 29 - HG2 LYS 75 far 0 97 0 - 9.1-26.2 HG LEU 29 - HG3 LYS 75 far 0 97 0 - 9.6-26.5 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 10 assignments used, quality = 1.00: * HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.2-11.3 HD3 LYS 75 - HG3 LYS 73 far 9 61 15 - 4.0-12.4 HG2 ARG 23 - HG3 LYS 75 far 5 99 5 - 4.5-24.1 HG2 ARG 23 - HG2 LYS 75 far 0 99 0 - 5.6-24.2 HG LEU 29 - HG2 LYS 75 far 0 97 0 - 9.1-26.2 HG LEU 29 - HG3 LYS 75 far 0 97 0 - 9.6-26.5 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 14 assignments used, quality = 1.00: HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.0-4.2 3.5=100 * HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.5=100 HE3 LYS 75 + HG2 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 2.2-3.7 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 100 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG2 LYS 75 poor 20 98 20 - 3.8-12.7 HE2 LYS 73 - HG2 LYS 75 far 15 99 15 - 2.1-13.5 HE3 LYS 73 - HG3 LYS 75 far 15 98 15 - 2.7-12.2 HE2 LYS 73 - HG3 LYS 75 far 10 99 10 - 3.7-13.0 HE2 LYS 75 - HG3 LYS 73 far 6 61 10 - 4.2-13.1 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.8-12.9 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 87 0 - 9.2-15.8 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 14 assignments used, quality = 1.00: * HE3 LYS 75 + HG2 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 2.2-3.7 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG2 LYS 75 poor 20 99 20 - 3.8-12.7 HE2 LYS 73 - HG2 LYS 75 far 15 99 15 - 2.1-13.5 HE3 LYS 73 - HG3 LYS 75 far 15 99 15 - 2.7-12.2 HE2 LYS 73 - HG3 LYS 75 far 10 99 10 - 3.7-13.0 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.8-12.9 HE2 LYS 75 - HG3 LYS 73 far 6 61 10 - 4.2-13.1 HB3 TYR 81 - HG3 LYS 73 far 0 45 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 85 0 - 9.2-15.8 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 19 assignments used, quality = 1.00: HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.0-4.2 3.9=100 * HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.1-4.2 3.8=100 HA LYS 75 - HG3 LYS 73 poor 18 61 30 - 4.9-9.9 HA ALA 20 - HG2 LYS 75 far 4 89 5 - 4.9-26.7 HA ALA 20 - HG3 LYS 75 far 4 89 5 - 5.5-26.9 HA LYS 83 - HG2 LYS 85 far 3 59 5 - 5.1-10.1 HA ALA 77 - HG3 LYS 73 far 3 56 5 - 5.4-14.7 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 5.6-10.0 HA ALA 77 - HG2 LYS 75 far 0 97 0 - 6.2-10.1 HB THR 37 - HG2 LYS 75 far 0 81 0 - 6.5-19.3 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 6.7-30.5 HA GLU 19 - HG2 LYS 75 far 0 95 0 - 6.9-29.4 HB THR 37 - HG3 LYS 75 far 0 81 0 - 7.7-19.5 HB THR 37 - HG3 LYS 73 far 0 42 0 - 8.2-13.2 HA LYS 83 - HG3 LYS 73 far 0 61 0 - 8.5-24.5 HA LEU 64 - HG2 LYS 85 far 0 48 0 - 8.9-38.9 HA LYS 39 - HG3 LYS 73 far 0 59 0 - 9.4-12.9 HB THR 37 - HG2 LYS 85 far 0 41 0 - 9.6-39.6 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 21 assignments used, quality = 1.00: HB2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 * HB2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.7=100 HB2 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.2-3.0 2.9=100 HB2 ARG 71 - HG3 LYS 75 far 15 97 15 - 3.7-13.9 HB3 ARG 71 - HG2 LYS 75 far 10 97 10 - 4.3-14.0 HB2 LYS 75 - HG3 LYS 73 poor 8 61 40 31 2.6-9.8 4.0/806=4, ~2982=3...(11) HB2 ARG 23 - HG3 LYS 75 far 5 100 5 - 3.0-23.6 HB2 ARG 23 - HG2 LYS 75 far 5 100 5 - 4.4-23.6 HB3 ARG 23 - HG3 LYS 75 far 5 100 5 - 4.6-22.1 HB2 ARG 71 - HG2 LYS 75 far 5 97 5 - 4.9-13.9 HB3 ARG 71 - HG3 LYS 75 far 5 97 5 - 3.4-13.6 HB2 LYS 73 - HG2 LYS 75 far 4 83 5 - 4.3-11.0 HB2 LYS 73 - HG3 LYS 75 far 4 83 5 - 4.8-9.5 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 6.0-22.1 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 6.7-9.9 HB ILE 89 - HG2 LYS 85 far 0 44 0 - 6.8-15.0 HB3 ARG 27 - HG2 LYS 75 far 0 97 0 - 7.3-22.6 HB2 ARG 27 - HG3 LYS 75 far 0 97 0 - 7.3-22.8 HB2 ARG 27 - HG2 LYS 75 far 0 97 0 - 7.6-22.2 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 7.7-10.4 HB3 ARG 27 - HG3 LYS 75 far 0 97 0 - 8.3-22.6 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 15 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 2.3-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.3-3.0 2.9=100 HB3 LYS 73 - HG2 LYS 75 far 10 97 10 - 3.7-9.7 HB3 LYS 75 - HG3 LYS 73 poor 9 61 40 35 2.6-9.2 2982/1.8=4, 2979/3.8=4...(16) HB3 LYS 73 - HG3 LYS 75 far 5 97 5 - 3.6-9.6 HB3 ARG 84 - HG2 LYS 85 far 2 49 5 - 4.2-7.9 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 5.4-9.7 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 6.7-11.5 HB2 LYS 83 - HG3 LYS 73 far 0 59 0 - 6.7-25.1 HB3 ARG 82 - HG3 LYS 73 far 0 41 0 - 6.7-23.4 HB2 ARG 69 - HG3 LYS 75 far 0 92 0 - 6.8-15.8 HB2 ARG 69 - HG2 LYS 75 far 0 92 0 - 7.0-16.2 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 9.0-14.5 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 10 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.2-11.3 HD3 LYS 75 - HG3 LYS 73 far 9 61 15 - 4.0-12.4 HG2 ARG 23 - HG3 LYS 75 far 5 99 5 - 4.5-24.1 HG2 ARG 23 - HG2 LYS 75 far 0 99 0 - 5.6-24.2 HG LEU 29 - HG2 LYS 75 far 0 97 0 - 9.1-26.2 HG LEU 29 - HG3 LYS 75 far 0 97 0 - 9.6-26.5 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 10 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 * HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 75 - HG3 LYS 73 poor 12 61 20 - 3.2-11.3 HD3 LYS 75 - HG3 LYS 73 far 9 61 15 - 4.0-12.4 HG2 ARG 23 - HG3 LYS 75 far 5 99 5 - 4.5-24.1 HG2 ARG 23 - HG2 LYS 75 far 0 99 0 - 5.6-24.2 HG LEU 29 - HG2 LYS 75 far 0 97 0 - 9.1-26.2 HG LEU 29 - HG3 LYS 75 far 0 97 0 - 9.6-26.5 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 14 assignments used, quality = 1.00: * HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.5=100 HE3 LYS 75 + HG2 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 2.2-3.7 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 100 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG2 LYS 75 poor 20 98 20 - 3.8-12.7 HE2 LYS 73 - HG2 LYS 75 far 15 99 15 - 2.1-13.5 HE3 LYS 73 - HG3 LYS 75 far 15 98 15 - 2.7-12.2 HE2 LYS 73 - HG3 LYS 75 far 10 99 10 - 3.7-13.0 HE2 LYS 75 - HG3 LYS 73 far 6 61 10 - 4.2-13.1 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.8-12.9 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 87 0 - 9.2-15.8 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 14 assignments used, quality = 1.00: HE3 LYS 75 + HG2 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 2.2-3.7 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG2 LYS 75 poor 20 99 20 - 3.8-12.7 HE2 LYS 73 - HG2 LYS 75 far 15 99 15 - 2.1-13.5 HE3 LYS 73 - HG3 LYS 75 far 15 99 15 - 2.7-12.2 HE2 LYS 73 - HG3 LYS 75 far 10 99 10 - 3.7-13.0 HE3 LYS 75 - HG3 LYS 73 far 6 61 10 - 3.8-12.9 HE2 LYS 75 - HG3 LYS 73 far 6 61 10 - 4.2-13.1 HB3 TYR 81 - HG3 LYS 73 far 0 45 0 - 6.0-18.8 HB3 TYR 81 - HG2 LYS 75 far 0 85 0 - 9.2-15.8 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 19 assignments used, quality = 1.00: HA LYS 75 + HD3 LYS 75 OK 99 100 100 99 2.6-4.6 4.7=53, 3072/1.8=35...(50) * HA LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.2-5.1 4.7=53, 3073/1.8=35...(50) HA THR 15 - HD3 LYS 13 far 15 100 15 - 3.4-9.4 HA THR 15 - HD2 LYS 13 far 10 100 10 - 2.7-8.6 HA ALA 12 - HD3 LYS 13 poor 9 93 30 32 2.4-7.3 8/6.1=22, 3464/2.9=9...(4) HA ALA 12 - HD2 LYS 13 poor 7 93 25 32 2.9-7.8 8/6.1=22, 3464/2.9=9...(4) HA ALA 20 - HD2 LYS 75 far 4 89 5 - 4.8-28.9 HA ALA 20 - HD3 LYS 75 far 4 89 5 - 5.2-29.2 HB THR 37 - HD2 LYS 75 far 0 81 0 - 6.1-20.5 HB THR 37 - HD3 LYS 75 far 0 81 0 - 6.7-20.5 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 6.7-10.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 7.4-11.2 HA GLU 19 - HD3 LYS 75 far 0 95 0 - 7.7-31.4 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 8.2-30.9 HA LYS 39 - HD2 LYS 13 far 0 99 0 - 9.1-31.7 HA LYS 85 - HD2 LYS 75 far 0 92 0 - 9.4-28.9 HA LYS 39 - HD3 LYS 13 far 0 99 0 - 9.8-33.0 HA GLU 19 - HD2 LYS 13 far 0 94 0 - 9.9-23.0 HA LYS 39 - HD2 LYS 75 far 0 99 0 - 9.9-19.4 Violated in 3 structures by 0.01 A. Peak 3118 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 23 assignments used, quality = 1.00: HB2 LYS 75 + HD3 LYS 75 OK 99 100 100 99 2.3-4.2 3.5=83, 3.0/3073=21...(50) * HB2 LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.0-4.2 3.5=83, 3.0/3072=21...(50) HB2 ARG 23 - HD3 LYS 75 far 10 100 10 - 4.5-25.9 HB2 ARG 71 - HD2 LYS 75 far 5 97 5 - 4.5-15.3 HB2 ARG 71 - HD3 LYS 75 far 5 97 5 - 4.7-15.4 HB3 ARG 71 - HD2 LYS 75 far 5 97 5 - 2.9-15.0 HB3 ARG 71 - HD3 LYS 75 far 5 97 5 - 3.4-15.3 HB2 ARG 23 - HD2 LYS 75 far 0 100 0 - 5.1-25.7 HB3 ARG 23 - HD3 LYS 75 far 0 100 0 - 5.2-24.3 HB2 ARG 17 - HD3 LYS 13 far 0 100 0 - 5.9-16.8 HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 6.1-11.1 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 6.7-10.9 HB3 ARG 23 - HD2 LYS 75 far 0 100 0 - 6.8-24.2 HB2 ARG 27 - HD3 LYS 75 far 0 97 0 - 6.8-24.1 HB2 ARG 17 - HD2 LYS 13 far 0 100 0 - 7.4-17.1 HB2 ARG 27 - HD2 LYS 75 far 0 97 0 - 7.8-24.4 HB3 ARG 27 - HD3 LYS 75 far 0 97 0 - 7.8-24.0 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 8.4-30.4 HB2 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.9-31.7 HB3 ARG 27 - HD2 LYS 75 far 0 97 0 - 9.1-23.9 HB2 ARG 27 - HD3 LYS 13 far 0 97 0 - 9.5-30.8 HB3 ARG 27 - HD3 LYS 13 far 0 97 0 - 9.6-30.4 HB3 ARG 27 - HD2 LYS 13 far 0 97 0 - 9.7-29.4 Violated in 4 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.51 A): 4 out of 22 assignments used, quality = 1.00: HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 * HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 97 5 - 4.9-9.8 HB3 LYS 32 - HD3 LYS 13 far 5 93 5 - 4.6-28.8 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.4-27.2 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 5.4-10.6 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 6.1-29.2 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 7.1-27.6 HB2 ARG 69 - HD2 LYS 75 far 0 92 0 - 7.1-15.7 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 7.2-32.0 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 7.8-32.9 HB ILE 33 - HD2 LYS 13 far 0 85 0 - 8.0-25.4 HB2 ARG 54 - HD2 LYS 13 far 0 78 0 - 8.1-35.1 HB ILE 33 - HD3 LYS 13 far 0 85 0 - 8.1-25.3 HB2 ARG 69 - HD3 LYS 75 far 0 92 0 - 8.7-15.6 HB2 PRO 34 - HD3 LYS 13 far 0 99 0 - 9.2-29.5 HB3 ARG 84 - HD2 LYS 75 far 0 92 0 - 9.2-26.6 HB2 ARG 54 - HD3 LYS 13 far 0 78 0 - 9.6-36.1 HB3 ARG 84 - HD3 LYS 75 far 0 92 0 - 9.6-27.4 HB3 ARG 82 - HD2 LYS 75 far 0 78 0 - 9.9-22.6 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 20 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 + HD2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 4.9-12.3 QB ALA 20 - HD3 LYS 75 far 5 96 5 - 3.1-25.8 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 4.5-25.5 HG3 LYS 73 - HD2 LYS 75 lone 3 100 25 13 3.2-11.3 5257/5328=4, 5892/5.9=4...(5) HG3 LYS 73 - HD3 LYS 75 lone 2 100 25 9 4.0-12.4 5892/5.9=4, 3000/3.5=2...(4) QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.1-8.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.3-12.5 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 6.1-15.2 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.3-8.7 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.4-14.8 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 7.6-31.0 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 7.8-15.4 QB ALA 20 - HD2 LYS 13 far 0 96 0 - 8.2-23.0 QB ALA 20 - HD3 LYS 13 far 0 96 0 - 8.3-22.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 8.7-31.9 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 20 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 + HD2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 4.9-12.3 QB ALA 20 - HD3 LYS 75 far 5 96 5 - 3.1-25.8 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 4.5-25.5 HG3 LYS 73 - HD2 LYS 75 lone 3 100 25 13 3.2-11.3 5257/5328=4, 5892/5.9=4...(5) HG3 LYS 73 - HD3 LYS 75 lone 2 100 25 9 4.0-12.4 5892/5.9=4, 3000/3.5=2...(4) QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.1-8.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.3-12.5 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 6.1-15.2 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.3-8.7 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.4-14.8 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 7.6-31.0 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 7.8-15.4 QB ALA 20 - HD2 LYS 13 far 0 96 0 - 8.2-23.0 QB ALA 20 - HD3 LYS 13 far 0 96 0 - 8.3-22.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 8.7-31.9 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Peak 3123 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Reference assignment not found: HD3 LYS 75 - HD2 LYS 75 Peak 3124 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 96 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 96 100 100 97 2.4-3.0 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) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.3-3.0 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, 5.0/3128=8...(27) * HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 98 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 99 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 90 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 87 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 87 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.4-3.0 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) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.3-3.0 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, 5.0/3128=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 99 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 99 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 89 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 85 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 85 0 - 9.5-17.2 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 19 assignments used, quality = 1.00: * HA LYS 75 + HD3 LYS 75 OK 99 100 100 99 2.6-4.6 4.7=53, 3072/1.8=35...(50) HA LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.2-5.1 4.7=53, 3073/1.8=35...(50) HA THR 15 - HD3 LYS 13 far 15 100 15 - 3.4-9.4 HA THR 15 - HD2 LYS 13 far 10 100 10 - 2.7-8.6 HA ALA 12 - HD3 LYS 13 poor 9 93 30 32 2.4-7.3 8/6.1=22, 3464/2.9=9...(4) HA ALA 12 - HD2 LYS 13 poor 7 93 25 32 2.9-7.8 8/6.1=22, 3464/2.9=9...(4) HA ALA 20 - HD2 LYS 75 far 4 89 5 - 4.8-28.9 HA ALA 20 - HD3 LYS 75 far 4 89 5 - 5.2-29.2 HB THR 37 - HD2 LYS 75 far 0 81 0 - 6.1-20.5 HB THR 37 - HD3 LYS 75 far 0 81 0 - 6.7-20.5 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 6.7-10.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 7.4-11.2 HA GLU 19 - HD3 LYS 75 far 0 95 0 - 7.7-31.4 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 8.2-30.9 HA LYS 39 - HD2 LYS 13 far 0 99 0 - 9.1-31.7 HA LYS 85 - HD2 LYS 75 far 0 92 0 - 9.4-28.9 HA LYS 39 - HD3 LYS 13 far 0 99 0 - 9.8-33.0 HA GLU 19 - HD2 LYS 13 far 0 94 0 - 9.9-23.0 HA LYS 39 - HD2 LYS 75 far 0 99 0 - 9.9-19.4 Violated in 3 structures by 0.01 A. Peak 3128 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 23 assignments used, quality = 1.00: * HB2 LYS 75 + HD3 LYS 75 OK 99 100 100 99 2.3-4.2 3.5=83, 3.0/3073=21...(50) HB2 LYS 75 + HD2 LYS 75 OK 99 100 100 99 2.0-4.2 3.5=83, 3.0/3072=21...(50) HB2 ARG 23 - HD3 LYS 75 far 10 100 10 - 4.5-25.9 HB2 ARG 71 - HD2 LYS 75 far 5 97 5 - 4.5-15.3 HB2 ARG 71 - HD3 LYS 75 far 5 97 5 - 4.7-15.4 HB3 ARG 71 - HD2 LYS 75 far 5 97 5 - 2.9-15.0 HB3 ARG 71 - HD3 LYS 75 far 5 97 5 - 3.4-15.3 HB2 ARG 23 - HD2 LYS 75 far 0 100 0 - 5.1-25.7 HB3 ARG 23 - HD3 LYS 75 far 0 100 0 - 5.2-24.3 HB2 ARG 17 - HD3 LYS 13 far 0 100 0 - 5.9-16.8 HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 6.1-11.1 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 6.7-10.9 HB3 ARG 23 - HD2 LYS 75 far 0 100 0 - 6.8-24.2 HB2 ARG 27 - HD3 LYS 75 far 0 97 0 - 6.8-24.1 HB2 ARG 17 - HD2 LYS 13 far 0 100 0 - 7.4-17.1 HB2 ARG 27 - HD2 LYS 75 far 0 97 0 - 7.8-24.4 HB3 ARG 27 - HD3 LYS 75 far 0 97 0 - 7.8-24.0 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 8.4-30.4 HB2 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.9-31.7 HB3 ARG 27 - HD2 LYS 75 far 0 97 0 - 9.1-23.9 HB2 ARG 27 - HD3 LYS 13 far 0 97 0 - 9.5-30.8 HB3 ARG 27 - HD3 LYS 13 far 0 97 0 - 9.6-30.4 HB3 ARG 27 - HD2 LYS 13 far 0 97 0 - 9.7-29.4 Violated in 4 structures by 0.00 A. Peak 3129 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.51 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.2-4.2 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 LYS 73 - HD2 LYS 75 far 5 97 5 - 4.9-9.8 HB3 LYS 32 - HD3 LYS 13 far 5 93 5 - 4.6-28.8 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.4-27.2 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 5.4-10.6 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 6.1-29.2 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 7.1-27.6 HB2 ARG 69 - HD2 LYS 75 far 0 92 0 - 7.1-15.7 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 7.2-32.0 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 7.8-32.9 HB ILE 33 - HD2 LYS 13 far 0 85 0 - 8.0-25.4 HB2 ARG 54 - HD2 LYS 13 far 0 78 0 - 8.1-35.1 HB ILE 33 - HD3 LYS 13 far 0 85 0 - 8.1-25.3 HB2 ARG 69 - HD3 LYS 75 far 0 92 0 - 8.7-15.6 HB2 PRO 34 - HD3 LYS 13 far 0 99 0 - 9.2-29.5 HB3 ARG 84 - HD2 LYS 75 far 0 92 0 - 9.2-26.6 HB2 ARG 54 - HD3 LYS 13 far 0 78 0 - 9.6-36.1 HB3 ARG 84 - HD3 LYS 75 far 0 92 0 - 9.6-27.4 HB3 ARG 82 - HD2 LYS 75 far 0 78 0 - 9.9-22.6 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 20 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 + HD2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 4.9-12.3 QB ALA 20 - HD3 LYS 75 far 5 96 5 - 3.1-25.8 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 4.5-25.5 HG3 LYS 73 - HD2 LYS 75 lone 3 100 25 13 3.2-11.3 5257/5328=4, 5892/5.9=4...(5) HG3 LYS 73 - HD3 LYS 75 lone 2 100 25 9 4.0-12.4 5892/5.9=4, 3000/3.5=2...(4) QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.1-8.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.3-12.5 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 6.1-15.2 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.3-8.7 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.4-14.8 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 7.6-31.0 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 7.8-15.4 QB ALA 20 - HD2 LYS 13 far 0 96 0 - 8.2-23.0 QB ALA 20 - HD3 LYS 13 far 0 96 0 - 8.3-22.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 8.7-31.9 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 20 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 + HD2 LYS 75 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 * HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.5-3.0 2.9=100 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 4.9-12.3 QB ALA 20 - HD3 LYS 75 far 5 96 5 - 3.1-25.8 QB ALA 20 - HD2 LYS 75 far 5 96 5 - 4.5-25.5 HG3 LYS 73 - HD2 LYS 75 lone 3 100 25 13 3.2-11.3 5257/5328=4, 5892/5.9=4...(5) HG3 LYS 73 - HD3 LYS 75 lone 2 100 25 9 4.0-12.4 5892/5.9=4, 3000/3.5=2...(4) QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.1-8.7 QB ALA 78 - HD2 LYS 75 far 0 100 0 - 5.3-12.5 HB3 ARG 69 - HD2 LYS 75 far 0 100 0 - 6.1-15.2 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.3-8.7 HG3 ARG 69 - HD2 LYS 75 far 0 95 0 - 6.4-14.8 HB3 ARG 69 - HD3 LYS 75 far 0 100 0 - 7.6-15.0 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 7.6-31.0 HG3 ARG 69 - HD3 LYS 75 far 0 95 0 - 7.8-15.4 QB ALA 20 - HD2 LYS 13 far 0 96 0 - 8.2-23.0 QB ALA 20 - HD3 LYS 13 far 0 96 0 - 8.3-22.8 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 8.7-31.9 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Reference assignment not found: HD2 LYS 75 - HD3 LYS 75 Peak 3133 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 * HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Peak 3134 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 96 100 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 96 100 100 97 2.4-3.0 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) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.3-3.0 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, 5.0/3128=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) * HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 98 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 99 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 90 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 87 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 87 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 3135 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 96 99 100 97 2.3-3.0 2.9=81, 3.8/1044=15...(34) HE3 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.4-3.0 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) HE2 LYS 13 + HD3 LYS 13 OK 96 99 100 97 2.3-3.0 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, 5.0/3128=8...(27) HE2 LYS 75 + HD2 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) * HE3 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.4-3.0 2.9=81, 5.0/3128=8...(27) HE2 LYS 75 + HD3 LYS 75 OK 94 100 100 94 2.2-3.0 2.9=81, 5.0/3128=8...(27) HE3 LYS 73 - HD2 LYS 75 far 10 99 10 - 4.0-12.6 HE2 LYS 73 - HD3 LYS 75 far 5 99 5 - 3.4-14.8 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 4.4-13.8 HE2 LYS 73 - HD2 LYS 75 far 0 99 0 - 4.5-13.8 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.0-30.1 HE2 LYS 39 - HD2 LYS 13 far 0 89 0 - 5.3-29.9 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 5.6-31.3 HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.8-29.6 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 6.1-31.6 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.2-30.7 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 6.5-30.9 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 7.4-32.5 HB3 TYR 81 - HD3 LYS 75 far 0 85 0 - 8.9-16.7 HB3 TYR 81 - HD2 LYS 75 far 0 85 0 - 9.5-17.2 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 43 assignments used, quality = 1.00: HA LYS 75 + HE3 LYS 75 OK 100 100 100 100 2.9-5.9 3071/3.5=37, 3070/3.5=37...(50) * HA LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.3-6.2 3071/3.5=37, 3070/3.5=37...(50) HA LYS 39 + HE3 LYS 39 OK 85 85 100 100 4.1-5.7 1837/3.6=72, 1836/3.6=65...(43) HA LYS 39 + HE2 LYS 39 OK 49 89 55 100 3.2-6.5 1837/3.6=72, 1836/3.6=65...(43) HA ALA 12 - HE2 LYS 13 poor 17 88 50 39 4.2-8.4 8/6.7=27, 3464/3.8=10...(4) HA LYS 75 - HE3 LYS 73 far 15 98 15 - 4.2-11.2 HA ALA 12 - HE3 LYS 13 poor 12 89 35 39 4.2-8.2 8/6.7=27, 3464/3.8=10...(4) HA LYS 75 - HE2 LYS 73 far 10 99 10 - 4.6-12.2 HA THR 15 - HE3 LYS 13 far 10 98 10 - 4.0-10.4 HA THR 15 - HE2 LYS 13 far 10 97 10 - 4.1-10.9 HA ALA 77 - HE2 LYS 73 far 9 94 10 - 4.9-17.2 HB THR 37 - HE3 LYS 75 far 8 81 10 - 5.6-21.1 HA THR 15 - HE3 LYS 32 far 5 99 5 - 5.6-30.4 HA THR 15 - HE2 LYS 32 far 5 99 5 - 5.5-29.2 HA GLU 19 - HE2 LYS 75 far 5 95 5 - 5.9-31.7 HA ALA 77 - HE3 LYS 73 far 5 93 5 - 5.8-15.5 HA ALA 20 - HE3 LYS 75 far 4 89 5 - 3.2-28.1 HA ALA 20 - HE2 LYS 75 far 4 89 5 - 4.6-29.3 HB THR 37 - HE2 LYS 75 far 4 81 5 - 5.7-21.0 HA ALA 12 - HE3 LYS 32 far 0 91 0 - 6.3-30.2 HA THR 15 - HE2 LYS 39 far 0 90 0 - 6.9-27.8 HA ALA 12 - HE2 LYS 32 far 0 90 0 - 6.9-29.4 HA GLU 19 - HE3 LYS 75 far 0 94 0 - 7.1-31.4 HA LYS 83 - HE2 LYS 73 far 0 99 0 - 7.2-25.0 HA THR 15 - HE3 LYS 39 far 0 87 0 - 7.2-29.5 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 7.8-12.1 HA GLU 19 - HE2 LYS 13 far 0 89 0 - 8.0-23.4 HA LYS 39 - HE3 LYS 73 far 0 97 0 - 8.1-14.3 HA LYS 83 - HE3 LYS 73 far 0 98 0 - 8.1-25.6 HB THR 37 - HE2 LYS 39 far 0 67 0 - 8.1-11.7 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 8.2-12.7 HA LEU 64 - HE2 LYS 75 far 0 90 0 - 8.3-23.3 HA GLU 19 - HE3 LYS 39 far 0 78 0 - 8.4-25.5 HA LYS 39 - HE2 LYS 73 far 0 97 0 - 8.5-15.7 HB THR 37 - HE3 LYS 39 far 0 64 0 - 9.0-11.6 HA GLU 19 - HE3 LYS 13 far 0 90 0 - 9.0-23.0 HA ALA 12 - HE2 LYS 39 far 0 80 0 - 9.1-35.0 HA LEU 64 - HE3 LYS 75 far 0 90 0 - 9.2-23.2 HB THR 37 - HE2 LYS 73 far 0 77 0 - 9.3-15.7 HA LYS 39 - HE3 LYS 13 far 0 96 0 - 9.4-30.3 HA LYS 39 - HE3 LYS 75 far 0 99 0 - 9.6-22.0 HA ALA 12 - HE3 LYS 39 far 0 76 0 - 9.8-36.7 HA GLU 19 - HE2 LYS 39 far 0 81 0 - 9.9-24.3 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 41 assignments used, quality = 1.00: HB2 LYS 75 + HE3 LYS 75 OK 99 100 100 99 2.2-5.0 5.0=45, 3118/2.9=34...(41) * HB2 LYS 75 + HE2 LYS 75 OK 99 100 100 99 2.2-5.1 5.0=45, 3118/2.9=34...(40) HB2 LYS 39 + HE2 LYS 39 OK 78 83 95 100 3.7-5.5 4.7=54, 1884/3.0=27...(52) HB2 LYS 73 + HE2 LYS 73 OK 78 79 100 98 2.4-4.8 4.7=54, 3020/3.0=23...(43) HB2 LYS 73 + HE3 LYS 73 OK 77 78 100 98 2.7-4.7 4.7=54, 3020/3.0=23...(43) HB2 LYS 39 + HE3 LYS 39 OK 75 79 95 100 2.4-5.5 4.7=54, 1884/3.0=27...(52) HB2 ARG 23 - HE3 LYS 75 far 10 100 10 - 3.0-23.9 HB2 ARG 71 - HE2 LYS 75 far 10 97 10 - 4.0-16.5 HB3 ARG 71 - HE3 LYS 75 far 10 97 10 - 4.3-15.7 HB2 LYS 75 - HE2 LYS 73 poor 8 99 35 24 2.8-12.1 2975/3.0=3, 2975/3.0=3...(11) HB2 LYS 75 - HE3 LYS 73 poor 8 98 30 25 2.4-10.9 2975/3.0=3, 2975/3.0=3...(11) HB2 ARG 23 - HE2 LYS 75 far 5 100 5 - 2.8-25.3 HB3 ARG 23 - HE2 LYS 75 far 5 100 5 - 4.3-24.1 HB3 ARG 23 - HE3 LYS 75 far 5 100 5 - 4.6-24.5 HB2 ARG 17 - HE2 LYS 32 far 5 98 5 - 5.0-29.8 HB2 ARG 71 - HE3 LYS 75 far 5 97 5 - 3.9-16.0 HB3 ARG 71 - HE2 LYS 75 far 5 97 5 - 4.3-16.4 HB2 ARG 17 - HE2 LYS 13 far 0 97 0 - 5.8-18.1 HB2 ARG 27 - HE2 LYS 75 far 0 97 0 - 6.3-24.0 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-30.9 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 6.5-12.0 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 6.5-11.9 HB2 ARG 17 - HE3 LYS 39 far 0 86 0 - 7.0-28.3 HB3 ARG 27 - HE2 LYS 75 far 0 97 0 - 7.3-24.5 HB2 ARG 17 - HE3 LYS 13 far 0 97 0 - 7.4-17.9 HB2 ARG 27 - HE3 LYS 75 far 0 97 0 - 7.6-23.8 HB2 LYS 39 - HE3 LYS 13 far 0 91 0 - 7.9-29.1 HB ILE 89 - HE2 LYS 32 far 0 81 0 - 8.0-60.9 HB2 ARG 17 - HE2 LYS 39 far 0 90 0 - 8.4-26.9 HB3 ARG 27 - HE3 LYS 75 far 0 97 0 - 8.7-24.6 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 8.8-12.4 HB ILE 89 - HE3 LYS 32 far 0 82 0 - 8.8-59.5 HB2 LYS 39 - HE2 LYS 13 far 0 91 0 - 8.9-30.7 HB3 ARG 27 - HE3 LYS 13 far 0 92 0 - 9.1-27.7 HB2 ARG 27 - HE3 LYS 13 far 0 93 0 - 9.3-28.4 HB3 ARG 71 - HE2 LYS 73 far 0 94 0 - 9.4-12.5 HB2 ARG 27 - HE2 LYS 13 far 0 93 0 - 9.4-29.6 HB3 ARG 27 - HE2 LYS 13 far 0 92 0 - 9.5-28.7 HB2 LYS 39 - HE3 LYS 73 far 0 92 0 - 9.6-16.0 HB2 ARG 71 - HE3 LYS 73 far 0 94 0 - 9.7-11.7 HB3 ARG 71 - HE3 LYS 73 far 0 93 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 12 out of 58 assignments used, quality = 1.00: HB3 LYS 75 + HE3 LYS 75 OK 96 100 100 96 2.4-4.7 5.0=34, ~3128=16...(36) HB2 LYS 13 + HE3 LYS 13 OK 93 98 100 95 2.1-4.8 5.2=29, 1002/2.9=16...(37) HB3 LYS 32 + HE3 LYS 32 OK 89 91 100 98 2.4-4.6 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE3 LYS 32 OK 89 91 100 98 2.5-4.7 4.6=44, 2.9/1638=25...(43) HB3 LYS 32 + HE2 LYS 32 OK 88 90 100 98 2.0-4.8 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 84 90 95 98 2.0-5.3 4.6=44, 2.9/1638=25...(43) HB3 LYS 39 + HE2 LYS 39 OK 83 89 95 98 3.4-5.0 4.7=41, 2.9/1906=21...(40) HB3 LYS 73 + HE3 LYS 73 OK 83 94 95 93 3.1-5.1 4.7=41, ~3020=16...(30) * HB3 LYS 75 + HE2 LYS 75 OK 82 100 85 96 3.2-5.4 5.0=34, ~3128=16...(36) HB3 LYS 39 + HE3 LYS 39 OK 80 86 95 98 1.9-5.0 4.7=41, 2.9/1906=21...(40) HB2 LYS 13 + HE2 LYS 13 OK 79 97 85 96 2.2-5.4 5.2=29, 1002/2.9=16...(37) HB3 LYS 73 + HE2 LYS 73 OK 75 95 85 93 2.6-5.4 4.7=41, ~3020=16...(30) HB3 LYS 75 - HE3 LYS 73 poor 20 98 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 99 30 28 2.3-11.0 2982/3.7=3, 2985/3.0=2...(18) HB2 LYS 13 - HE3 LYS 32 far 5 99 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 5 99 5 - 4.8-30.7 HB2 LYS 13 - HE2 LYS 39 far 5 90 5 - 4.5-31.8 HB2 ARG 69 - HE2 LYS 73 far 4 89 5 - 4.9-12.3 HB2 LYS 13 - HE3 LYS 39 far 4 87 5 - 4.6-32.3 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 89 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 97 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 87 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 96 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 6.4-12.4 HB2 ARG 69 - HE3 LYS 73 far 0 88 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 60 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 62 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 97 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 75 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 51 0 - 7.2-12.1 HB3 LYS 39 - HE3 LYS 13 far 0 97 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 97 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 74 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 73 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 83 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 82 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 81 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 92 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 80 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 48 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 96 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 79 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 77 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 73 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 92 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 75 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 78 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 78 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 67 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 97 0 - 9.7-16.0 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 48 assignments used, quality = 1.00: HG3 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.0-4.2 3.5=71, 2.7/3030=9...(62) * HG2 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.2-3.8 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-4.2 3.5=71, 2.7/3030=9...(62) HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.2-3.7 3.5=71, 2.7/3030=9...(62) HG3 LYS 73 + HE2 LYS 73 OK 91 99 100 93 2.0-4.0 3.7=60, 2.9/3030=12...(50) HG3 LYS 73 + HE3 LYS 73 OK 91 98 100 93 2.0-4.2 3.7=60, 2.9/3030=12...(50) HG3 LYS 39 + HE2 LYS 39 OK 77 78 100 99 2.1-4.2 3.6=66, 1878/3.0=25...(59) HG3 LYS 39 + HE3 LYS 39 OK 74 75 100 99 2.0-3.7 3.6=66, 1878/3.0=25...(59) HG2 LYS 75 - HE3 LYS 73 far 15 98 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 10 100 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 10 99 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 10 98 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 10 96 10 - 3.7-25.8 HG3 ARG 69 - HE2 LYS 73 far 9 91 10 - 2.0-10.8 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.8-10.2 HG3 LYS 73 - HE2 LYS 75 far 5 100 5 - 4.2-13.1 HG2 LYS 75 - HE2 LYS 73 far 5 99 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 5 99 5 - 3.9-17.1 HB3 ARG 69 - HE2 LYS 73 far 5 98 5 - 3.9-12.2 QB ALA 20 - HE3 LYS 75 far 5 96 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 5 90 5 - 4.1-15.3 QB ALA 78 - HE3 LYS 73 far 0 98 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 77 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 89 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 76 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 95 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 91 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 87 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 81 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 90 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 88 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 9.5-18.2 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 48 assignments used, quality = 1.00: * HG3 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.0-4.2 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.2-3.8 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-4.2 3.5=71, 2.7/3030=9...(62) HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.2-3.7 3.5=71, 2.7/3030=9...(62) HG3 LYS 73 + HE2 LYS 73 OK 91 99 100 93 2.0-4.0 3.7=60, 2.9/3030=12...(50) HG3 LYS 73 + HE3 LYS 73 OK 91 98 100 93 2.0-4.2 3.7=60, 2.9/3030=12...(50) HG3 LYS 39 + HE2 LYS 39 OK 77 78 100 99 2.1-4.2 3.6=66, 1878/3.0=25...(59) HG3 LYS 39 + HE3 LYS 39 OK 74 75 100 99 2.0-3.7 3.6=66, 1878/3.0=25...(59) HG2 LYS 75 - HE3 LYS 73 far 15 98 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 10 100 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 10 99 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 10 98 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 10 96 10 - 3.7-25.8 HG3 ARG 69 - HE2 LYS 73 far 9 91 10 - 2.0-10.8 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.8-10.2 HG3 LYS 73 - HE2 LYS 75 far 5 100 5 - 4.2-13.1 HG2 LYS 75 - HE2 LYS 73 far 5 99 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 5 99 5 - 3.9-17.1 HB3 ARG 69 - HE2 LYS 73 far 5 98 5 - 3.9-12.2 QB ALA 20 - HE3 LYS 75 far 5 96 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 5 90 5 - 4.1-15.3 QB ALA 78 - HE3 LYS 73 far 0 98 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 77 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 89 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 76 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 94 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 95 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 91 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 87 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 81 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 90 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 88 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 3142 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 10 out of 35 assignments used, quality = 1.00: 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 + HE3 LYS 13 OK 89 98 100 91 2.4-3.0 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) HD3 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) * HD2 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 40 84 60 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HB3 LYS 13 + HE2 LYS 13 OK 24 83 35 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HG2 ARG 23 - HE2 LYS 75 far 5 99 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 99 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 99 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 5 98 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 75 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 90 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 71 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 93 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-13.0 HG LEU 29 - HE3 LYS 75 far 0 97 0 - 9.6-27.6 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 10 out of 35 assignments used, quality = 1.00: 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 + HE3 LYS 13 OK 89 98 100 91 2.4-3.0 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) HD3 LYS 13 + HE2 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) * HD3 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 40 84 60 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HB3 LYS 13 + HE2 LYS 13 OK 24 83 35 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HG2 ARG 23 - HE2 LYS 75 far 5 99 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 99 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 99 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 5 98 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 75 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 90 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 71 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 93 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-13.0 HG LEU 29 - HE3 LYS 75 far 0 97 0 - 9.6-27.6 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 43 assignments used, quality = 1.00: * HA LYS 75 + HE3 LYS 75 OK 100 100 100 100 2.9-5.9 3071/3.5=37, 3070/3.5=37...(50) HA LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.3-6.2 3071/3.5=37, 3070/3.5=37...(50) HA LYS 39 + HE3 LYS 39 OK 83 83 100 100 4.1-5.7 1837/3.6=72, 1836/3.6=65...(43) HA LYS 39 + HE2 LYS 39 OK 48 87 55 100 3.2-6.5 1837/3.6=72, 1836/3.6=65...(43) HA ALA 12 - HE2 LYS 13 poor 17 87 50 39 4.2-8.4 8/6.7=27, 3464/3.8=10...(4) HA LYS 75 - HE3 LYS 73 far 15 99 15 - 4.2-11.2 HA ALA 12 - HE3 LYS 13 poor 12 88 35 39 4.2-8.2 8/6.7=27, 3464/3.8=10...(4) HA LYS 75 - HE2 LYS 73 far 10 99 10 - 4.6-12.2 HA THR 15 - HE3 LYS 13 far 10 97 10 - 4.0-10.4 HA THR 15 - HE2 LYS 13 far 10 97 10 - 4.1-10.9 HA ALA 77 - HE2 LYS 73 far 9 94 10 - 4.9-17.2 HB THR 37 - HE3 LYS 75 far 8 81 10 - 5.6-21.1 HA THR 15 - HE3 LYS 32 far 5 99 5 - 5.6-30.4 HA THR 15 - HE2 LYS 32 far 5 99 5 - 5.5-29.2 HA GLU 19 - HE2 LYS 75 far 5 94 5 - 5.9-31.7 HA ALA 77 - HE3 LYS 73 far 5 94 5 - 5.8-15.5 HA ALA 20 - HE3 LYS 75 far 4 89 5 - 3.2-28.1 HA ALA 20 - HE2 LYS 75 far 4 89 5 - 4.6-29.3 HB THR 37 - HE2 LYS 75 far 4 81 5 - 5.7-21.0 HA ALA 12 - HE3 LYS 32 far 0 92 0 - 6.3-30.2 HA THR 15 - HE2 LYS 39 far 0 88 0 - 6.9-27.8 HA ALA 12 - HE2 LYS 32 far 0 91 0 - 6.9-29.4 HA GLU 19 - HE3 LYS 75 far 0 95 0 - 7.1-31.4 HA LYS 83 - HE2 LYS 73 far 0 99 0 - 7.2-25.0 HA THR 15 - HE3 LYS 39 far 0 85 0 - 7.2-29.5 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 7.8-12.1 HA GLU 19 - HE2 LYS 13 far 0 89 0 - 8.0-23.4 HA LYS 39 - HE3 LYS 73 far 0 97 0 - 8.1-14.3 HA LYS 83 - HE3 LYS 73 far 0 99 0 - 8.1-25.6 HB THR 37 - HE2 LYS 39 far 0 65 0 - 8.1-11.7 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 8.2-12.7 HA LEU 64 - HE2 LYS 75 far 0 90 0 - 8.3-23.3 HA GLU 19 - HE3 LYS 39 far 0 76 0 - 8.4-25.5 HA LYS 39 - HE2 LYS 73 far 0 98 0 - 8.5-15.7 HB THR 37 - HE3 LYS 39 far 0 62 0 - 9.0-11.6 HA GLU 19 - HE3 LYS 13 far 0 89 0 - 9.0-23.0 HA ALA 12 - HE2 LYS 39 far 0 78 0 - 9.1-35.0 HA LEU 64 - HE3 LYS 75 far 0 90 0 - 9.2-23.2 HB THR 37 - HE2 LYS 73 far 0 78 0 - 9.3-15.7 HA LYS 39 - HE3 LYS 13 far 0 96 0 - 9.4-30.3 HA LYS 39 - HE3 LYS 75 far 0 99 0 - 9.6-22.0 HA ALA 12 - HE3 LYS 39 far 0 74 0 - 9.8-36.7 HA GLU 19 - HE2 LYS 39 far 0 80 0 - 9.9-24.3 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 41 assignments used, quality = 1.00: * HB2 LYS 75 + HE3 LYS 75 OK 99 100 100 99 2.2-5.0 5.0=45, 3118/2.9=34...(41) HB2 LYS 75 + HE2 LYS 75 OK 99 100 100 99 2.2-5.1 5.0=45, 3118/2.9=34...(40) HB2 LYS 73 + HE2 LYS 73 OK 79 80 100 98 2.4-4.8 4.7=54, 3020/3.0=23...(43) HB2 LYS 73 + HE3 LYS 73 OK 78 79 100 98 2.7-4.7 4.7=54, 3020/3.0=23...(43) HB2 LYS 39 + HE2 LYS 39 OK 77 81 95 100 3.7-5.5 4.7=54, 1884/3.0=27...(52) HB2 LYS 39 + HE3 LYS 39 OK 73 77 95 100 2.4-5.5 4.7=54, 1884/3.0=27...(52) HB2 ARG 23 - HE3 LYS 75 far 10 100 10 - 3.0-23.9 HB2 ARG 71 - HE2 LYS 75 far 10 97 10 - 4.0-16.5 HB3 ARG 71 - HE3 LYS 75 far 10 97 10 - 4.3-15.7 HB2 LYS 75 - HE2 LYS 73 poor 8 99 35 24 2.8-12.1 2975/3.0=3, 2974/3.0=3...(11) HB2 LYS 75 - HE3 LYS 73 poor 8 99 30 25 2.4-10.9 2975/3.0=3, 2975/3.0=3...(11) HB2 ARG 23 - HE2 LYS 75 far 5 100 5 - 2.8-25.3 HB3 ARG 23 - HE2 LYS 75 far 5 100 5 - 4.3-24.1 HB3 ARG 23 - HE3 LYS 75 far 5 100 5 - 4.6-24.5 HB2 ARG 17 - HE2 LYS 32 far 5 99 5 - 5.0-29.8 HB2 ARG 71 - HE3 LYS 75 far 5 97 5 - 3.9-16.0 HB3 ARG 71 - HE2 LYS 75 far 5 97 5 - 4.3-16.4 HB2 ARG 17 - HE2 LYS 13 far 0 96 0 - 5.8-18.1 HB2 ARG 27 - HE2 LYS 75 far 0 97 0 - 6.3-24.0 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 6.4-30.9 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 6.5-12.0 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 6.5-11.9 HB2 ARG 17 - HE3 LYS 39 far 0 84 0 - 7.0-28.3 HB3 ARG 27 - HE2 LYS 75 far 0 97 0 - 7.3-24.5 HB2 ARG 17 - HE3 LYS 13 far 0 97 0 - 7.4-17.9 HB2 ARG 27 - HE3 LYS 75 far 0 97 0 - 7.6-23.8 HB2 LYS 39 - HE3 LYS 13 far 0 91 0 - 7.9-29.1 HB ILE 89 - HE2 LYS 32 far 0 82 0 - 8.0-60.9 HB2 ARG 17 - HE2 LYS 39 far 0 88 0 - 8.4-26.9 HB3 ARG 27 - HE3 LYS 75 far 0 97 0 - 8.7-24.6 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 8.8-12.4 HB ILE 89 - HE3 LYS 32 far 0 83 0 - 8.8-59.5 HB2 LYS 39 - HE2 LYS 13 far 0 90 0 - 8.9-30.7 HB3 ARG 27 - HE3 LYS 13 far 0 92 0 - 9.1-27.7 HB2 ARG 27 - HE3 LYS 13 far 0 93 0 - 9.3-28.4 HB3 ARG 71 - HE2 LYS 73 far 0 94 0 - 9.4-12.5 HB2 ARG 27 - HE2 LYS 13 far 0 92 0 - 9.4-29.6 HB3 ARG 27 - HE2 LYS 13 far 0 91 0 - 9.5-28.7 HB2 LYS 39 - HE3 LYS 73 far 0 93 0 - 9.6-16.0 HB2 ARG 71 - HE3 LYS 73 far 0 95 0 - 9.7-11.7 HB3 ARG 71 - HE3 LYS 73 far 0 94 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3149 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 12 out of 58 assignments used, quality = 1.00: * HB3 LYS 75 + HE3 LYS 75 OK 96 100 100 96 2.4-4.7 5.0=34, ~3128=16...(36) HB2 LYS 13 + HE3 LYS 13 OK 92 97 100 95 2.1-4.8 5.2=29, 1002/2.9=16...(37) HB3 LYS 32 + HE3 LYS 32 OK 90 92 100 98 2.4-4.6 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE3 LYS 32 OK 90 92 100 98 2.5-4.7 4.6=44, 2.9/1638=25...(43) HB3 LYS 32 + HE2 LYS 32 OK 89 91 100 98 2.0-4.8 4.6=44, 2.9/1638=25...(43) HB2 LYS 32 + HE2 LYS 32 OK 84 91 95 98 2.0-5.3 4.6=44, 2.9/1638=25...(43) HB3 LYS 73 + HE3 LYS 73 OK 84 95 95 93 3.1-5.1 4.7=41, ~3020=16...(30) HB3 LYS 75 + HE2 LYS 75 OK 82 100 85 96 3.2-5.4 5.0=34, ~3128=16...(36) HB3 LYS 39 + HE2 LYS 39 OK 81 87 95 98 3.4-5.0 4.7=41, 2.9/1906=21...(40) HB2 LYS 13 + HE2 LYS 13 OK 79 97 85 96 2.2-5.4 5.2=29, 1002/2.9=16...(37) HB3 LYS 39 + HE3 LYS 39 OK 78 84 95 98 1.9-5.0 4.7=41, 2.9/1906=21...(40) HB3 LYS 73 + HE2 LYS 73 OK 75 95 85 93 2.6-5.4 4.7=41, ~3020=16...(30) HB3 LYS 75 - HE3 LYS 73 poor 20 99 20 - 2.2-10.9 HB3 LYS 75 - HE2 LYS 73 poor 8 99 30 28 2.3-11.0 2982/3.7=3, 2985/3.0=2...(18) HB2 LYS 13 - HE3 LYS 32 far 5 99 5 - 4.8-31.7 HB2 LYS 13 - HE2 LYS 32 far 5 99 5 - 4.8-30.7 HB2 ARG 69 - HE2 LYS 73 far 4 89 5 - 4.9-12.3 HB2 LYS 13 - HE2 LYS 39 far 4 88 5 - 4.5-31.8 HB2 LYS 13 - HE3 LYS 39 far 4 85 5 - 4.6-32.3 HB3 LYS 32 - HE2 LYS 13 far 0 87 0 - 5.5-30.9 HB3 LYS 32 - HE3 LYS 13 far 0 88 0 - 5.5-31.3 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 5.8-12.5 HB3 LYS 73 - HE3 LYS 75 far 0 97 0 - 5.9-10.9 HB2 LYS 32 - HE2 LYS 13 far 0 87 0 - 5.9-29.3 HB2 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.0-10.2 HB2 PRO 34 - HE2 LYS 32 far 0 97 0 - 6.0-12.9 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 6.1-13.8 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 6.2-11.3 HB2 LYS 32 - HE3 LYS 13 far 0 88 0 - 6.4-29.6 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 6.4-12.4 HB2 ARG 69 - HE3 LYS 73 far 0 89 0 - 6.6-11.3 HG2 PRO 34 - HE3 LYS 32 far 0 61 0 - 6.7-12.0 HB2 ARG 54 - HE3 LYS 39 far 0 60 0 - 6.7-13.4 HB2 LYS 83 - HE2 LYS 73 far 0 98 0 - 7.1-26.7 HB3 ARG 82 - HE2 LYS 73 far 0 76 0 - 7.2-22.2 HG2 PRO 34 - HE2 LYS 39 far 0 50 0 - 7.2-12.1 HB3 LYS 39 - HE3 LYS 13 far 0 96 0 - 7.2-30.5 HB2 LYS 83 - HE3 LYS 73 far 0 97 0 - 7.3-26.1 HB3 ARG 82 - HE3 LYS 73 far 0 75 0 - 7.3-21.7 HB2 ARG 54 - HE3 LYS 13 far 0 73 0 - 7.3-34.0 HB2 PRO 34 - HE3 LYS 39 far 0 81 0 - 7.3-11.4 HB ILE 33 - HE2 LYS 39 far 0 70 0 - 7.4-12.3 HB ILE 33 - HE3 LYS 32 far 0 83 0 - 7.5-10.4 HB ILE 33 - HE2 LYS 32 far 0 82 0 - 7.9-10.6 HB2 ARG 69 - HE3 LYS 75 far 0 92 0 - 7.9-17.1 HB ILE 33 - HE3 LYS 13 far 0 79 0 - 8.1-27.8 HG2 PRO 34 - HE3 LYS 39 far 0 47 0 - 8.1-12.0 HB3 LYS 39 - HE2 LYS 13 far 0 96 0 - 8.2-30.7 HB ILE 33 - HE2 LYS 13 far 0 79 0 - 8.8-27.4 HB2 LEU 57 - HE2 LYS 32 far 0 78 0 - 8.8-15.1 HB2 ARG 54 - HE2 LYS 13 far 0 72 0 - 8.9-34.6 HB ILE 33 - HE3 LYS 39 far 0 66 0 - 9.1-11.8 HB2 ARG 69 - HE2 LYS 75 far 0 92 0 - 9.1-17.0 HB2 ARG 69 - HE3 LYS 39 far 0 73 0 - 9.2-15.0 HB2 LEU 57 - HE3 LYS 32 far 0 79 0 - 9.3-14.6 HB2 ARG 69 - HE2 LYS 39 far 0 77 0 - 9.4-15.1 HB2 LEU 57 - HE2 LYS 39 far 0 65 0 - 9.4-15.8 HB3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.0 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 48 assignments used, quality = 1.00: HG3 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.0-4.2 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.2-3.8 3.5=71, 2.7/3030=9...(62) * HG2 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-4.2 3.5=71, 2.7/3030=9...(62) HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.2-3.7 3.5=71, 2.7/3030=9...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.0-4.0 3.7=60, 2.9/3030=12...(50) HG3 LYS 73 + HE3 LYS 73 OK 91 99 100 93 2.0-4.2 3.7=60, 2.9/3030=12...(50) HG3 LYS 39 + HE2 LYS 39 OK 76 77 100 99 2.1-4.2 3.6=66, 1878/3.0=25...(59) HG3 LYS 39 + HE3 LYS 39 OK 72 73 100 99 2.0-3.7 3.6=66, 1878/3.0=25...(59) HG2 LYS 75 - HE3 LYS 73 far 15 99 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 10 100 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 10 99 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 10 99 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 10 96 10 - 3.7-25.8 HG3 ARG 69 - HE2 LYS 73 far 9 92 10 - 2.0-10.8 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.8-10.2 HG3 LYS 73 - HE2 LYS 75 far 5 100 5 - 4.2-13.1 HG2 LYS 75 - HE2 LYS 73 far 5 99 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 5 99 5 - 3.9-17.1 HB3 ARG 69 - HE2 LYS 73 far 5 98 5 - 3.9-12.2 QB ALA 20 - HE3 LYS 75 far 5 96 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 5 91 5 - 4.1-15.3 QB ALA 78 - HE3 LYS 73 far 0 99 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 78 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 90 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 77 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 95 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 90 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 86 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 80 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 88 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 9.5-18.2 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 48 assignments used, quality = 1.00: HG3 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.0-4.2 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE2 LYS 75 OK 97 100 100 97 2.2-3.8 3.5=71, 2.7/3030=9...(62) HG2 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.1-4.2 3.5=71, 2.7/3030=9...(62) * HG3 LYS 75 + HE3 LYS 75 OK 97 100 100 97 2.2-3.7 3.5=71, 2.7/3030=9...(62) HG3 LYS 73 + HE2 LYS 73 OK 92 99 100 93 2.0-4.0 3.7=60, 2.9/3030=12...(50) HG3 LYS 73 + HE3 LYS 73 OK 91 99 100 93 2.0-4.2 3.7=60, 2.9/3030=12...(50) HG3 LYS 39 + HE2 LYS 39 OK 76 77 100 99 2.1-4.2 3.6=66, 1878/3.0=25...(59) HG3 LYS 39 + HE3 LYS 39 OK 72 73 100 99 2.0-3.7 3.6=66, 1878/3.0=25...(59) HG2 LYS 75 - HE3 LYS 73 far 15 99 15 - 3.8-12.7 HG3 LYS 73 - HE3 LYS 75 far 10 100 10 - 3.8-12.9 HG3 LYS 75 - HE2 LYS 73 far 10 99 10 - 3.7-13.0 HG3 LYS 75 - HE3 LYS 73 far 10 99 10 - 2.7-12.2 QB ALA 20 - HE2 LYS 75 far 10 96 10 - 3.7-25.8 HG3 ARG 69 - HE2 LYS 73 far 9 92 10 - 2.0-10.8 HG3 ARG 69 - HE3 LYS 73 far 9 91 10 - 3.8-10.2 HG3 LYS 73 - HE2 LYS 75 far 5 100 5 - 4.2-13.1 HG2 LYS 75 - HE2 LYS 73 far 5 99 5 - 2.1-13.5 QB ALA 78 - HE2 LYS 73 far 5 99 5 - 3.9-17.1 HB3 ARG 69 - HE2 LYS 73 far 5 98 5 - 3.9-12.2 QB ALA 20 - HE3 LYS 75 far 5 96 5 - 3.9-24.5 QB ALA 77 - HE2 LYS 73 far 5 91 5 - 4.1-15.3 QB ALA 78 - HE3 LYS 73 far 0 99 0 - 4.9-15.7 HG2 LYS 83 - HE2 LYS 73 far 0 78 0 - 5.0-28.6 QB ALA 77 - HE3 LYS 73 far 0 90 0 - 5.1-13.8 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 5.5-11.5 HG2 LYS 83 - HE3 LYS 73 far 0 77 0 - 5.9-28.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 6.4-9.5 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-10.1 HG3 ARG 69 - HE3 LYS 75 far 0 95 0 - 6.6-16.3 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 6.6-14.0 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 6.7-13.3 QB ALA 20 - HE3 LYS 13 far 0 91 0 - 7.3-22.9 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 7.5-30.9 HG3 ARG 69 - HE2 LYS 75 far 0 94 0 - 7.5-16.2 QB ALA 20 - HE2 LYS 13 far 0 90 0 - 7.6-23.2 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 8.1-18.4 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 8.4-15.5 HB3 ARG 69 - HE2 LYS 75 far 0 100 0 - 8.6-16.9 HB3 ARG 69 - HE3 LYS 75 far 0 100 0 - 8.6-17.5 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 8.8-14.9 HG3 LYS 39 - HE2 LYS 13 far 0 86 0 - 8.9-30.2 HG3 ARG 69 - HE2 LYS 39 far 0 80 0 - 9.0-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 9.1-14.8 QB ALA 53 - HE2 LYS 39 far 0 88 0 - 9.1-13.8 HG3 LYS 39 - HE3 LYS 73 far 0 89 0 - 9.1-16.7 HG3 LYS 39 - HE2 LYS 73 far 0 89 0 - 9.3-18.0 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.3-13.8 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 10 out of 35 assignments used, quality = 1.00: HD2 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.4-3.0 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) HD3 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) * HD2 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 40 83 60 80 2.2-5.5 5.2=12, 3.0/1074=9...(49) HB3 LYS 13 + HE2 LYS 13 OK 23 82 35 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HG2 ARG 23 - HE2 LYS 75 far 5 99 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 99 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 99 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 5 99 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 73 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 89 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 70 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 92 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-13.0 HG LEU 29 - HE3 LYS 75 far 0 97 0 - 9.6-27.6 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 10 out of 35 assignments used, quality = 1.00: HD2 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD3 LYS 13 + HE3 LYS 13 OK 89 97 100 91 2.4-3.0 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) HD3 LYS 13 + HE2 LYS 13 OK 88 97 100 91 2.3-3.0 2.9=66, 1044/3.8=13...(31) HD2 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HD2 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) * HD3 LYS 75 + HE3 LYS 75 OK 85 100 100 85 2.4-3.0 2.9=66, 3135/1.8=7...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 100 85 2.2-3.0 2.9=66, 3135/1.8=7...(25) HB3 LYS 13 + HE3 LYS 13 OK 40 83 60 80 2.2-5.5 5.2=12, 3.0/1074=9...(49) HB3 LYS 13 + HE2 LYS 13 OK 23 82 35 81 2.2-5.5 5.2=12, 3.0/1074=9...(49) HG2 ARG 23 - HE2 LYS 75 far 5 99 5 - 2.5-26.0 HG2 ARG 23 - HE3 LYS 75 far 5 99 5 - 3.3-26.5 HD3 LYS 75 - HE2 LYS 73 far 5 99 5 - 3.4-14.8 HD2 LYS 75 - HE3 LYS 73 far 5 99 5 - 4.0-12.6 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 4.4-13.8 HD2 LYS 75 - HE2 LYS 73 far 0 99 0 - 4.5-13.8 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-30.1 HB3 LYS 13 - HE2 LYS 39 far 0 73 0 - 5.2-31.9 HD2 LYS 13 - HE2 LYS 39 far 0 89 0 - 5.3-29.9 HB3 LYS 13 - HE3 LYS 39 far 0 70 0 - 5.4-33.6 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 5.6-31.3 HG LEU 29 - HE2 LYS 13 far 0 92 0 - 5.7-29.3 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.8-29.6 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 6.1-31.6 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 6.2-31.9 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-30.7 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 6.3-29.2 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 6.4-30.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 6.4-11.1 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 6.5-30.9 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 6.9-12.8 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.1-11.9 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 7.4-32.5 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 7.9-13.0 HG LEU 29 - HE3 LYS 75 far 0 97 0 - 9.6-27.6 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 3 assignments used, quality = 1.00: * H VAL 76 + HA VAL 76 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 70 - HA VAL 76 far 0 99 0 - 6.8-13.3 H ARG 69 - HA VAL 76 far 0 76 0 - 9.4-15.0 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 7 assignments used, quality = 1.00: * HB VAL 76 + HA VAL 76 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 45 - HA VAL 76 far 0 81 0 - 5.0-19.0 HD3 ARG 69 - HA VAL 76 far 0 93 0 - 5.7-15.0 HD2 ARG 69 - HA VAL 76 far 0 93 0 - 5.9-15.3 HB3 GLU 19 - HA VAL 76 far 0 99 0 - 8.2-31.1 HB2 GLU 25 - HA VAL 76 far 0 98 0 - 8.8-24.1 HB3 GLU 25 - HA VAL 76 far 0 97 0 - 9.3-24.3 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 4 assignments used, quality = 1.00: * QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.0-3.2 3.2=75, 4.3/349=26...(14) QG2 VAL 76 + HA VAL 76 OK 94 100 100 94 2.1-3.2 3.2=75, 4.3/349=26...(14) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 5.2-12.6 QG2 ILE 40 - HA VAL 76 far 0 98 0 - 9.0-13.5 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 4 assignments used, quality = 1.00: QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.0-3.2 3.2=75, 4.3/349=26...(14) * QG2 VAL 76 + HA VAL 76 OK 94 100 100 94 2.1-3.2 3.2=75, 4.3/349=26...(14) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 5.2-12.6 QG2 ILE 40 - HA VAL 76 far 0 98 0 - 9.0-13.5 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 12 assignments used, quality = 1.00: * H VAL 76 + HB VAL 76 OK 100 100 100 100 2.7-3.9 813=100, 5433/350=44...(10) H LYS 32 + HB3 MET 31 OK 44 48 100 92 3.4-4.4 90/3.0=50, 4.7=50...(11) H ARG 70 - HB VAL 76 far 5 99 5 - 4.0-14.5 H ALA 30 - HB3 MET 31 far 2 42 5 - 4.9-6.4 H LEU 29 - HB3 MET 31 far 0 62 0 - 5.2-7.2 H ALA 63 - HB3 MET 31 far 0 50 0 - 6.0-8.4 H LYS 32 - HB VAL 90 far 0 51 0 - 6.5-56.9 H ARG 69 - HB VAL 76 far 0 76 0 - 6.6-16.5 H ALA 30 - HB VAL 90 far 0 44 0 - 8.0-56.6 H ASP 67 - HB VAL 76 far 0 60 0 - 8.1-19.7 H ASP 67 - HB3 MET 31 far 0 32 0 - 8.5-10.8 H LEU 29 - HB VAL 90 far 0 65 0 - 9.3-55.2 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 9 assignments used, quality = 1.00: * HA VAL 76 + HB VAL 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 61 + HB3 MET 31 OK 53 64 100 82 2.2-4.4 5079/4.3=28, 4202/3.0=19...(12) HA ALA 28 + HB3 MET 31 OK 52 60 95 92 3.4-5.3 4176/1.8=32, 5529=31...(15) HA2 GLY 72 - HB VAL 76 far 10 100 10 - 4.0-12.7 HA LYS 32 - HB3 MET 31 far 3 61 5 - 5.2-5.9 HA LYS 32 - HB VAL 90 far 0 64 0 - 5.9-57.9 HA ARG 66 - HB VAL 76 far 0 98 0 - 7.3-17.9 HA3 GLY 21 - HB VAL 76 far 0 89 0 - 8.5-26.8 HA2 GLY 21 - HB VAL 76 far 0 90 0 - 9.5-26.2 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 13 assignments used, quality = 1.00: QG2 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 * QG1 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 100 100 2.1-2.1 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 VAL 41 - HB VAL 76 far 14 93 15 - 3.0-11.6 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 6.7-13.5 QG1 VAL 90 - HB3 MET 31 far 0 45 0 - 6.9-45.2 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 7.6-11.2 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 8.1-10.0 HG12 ILE 68 - HB VAL 76 far 0 100 0 - 8.7-19.6 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 8.8-10.7 QG2 VAL 90 - HB3 MET 31 far 0 44 0 - 9.1-46.5 QD2 LEU 62 - HB VAL 76 far 0 98 0 - 9.8-19.1 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 13 assignments used, quality = 1.00: * QG2 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 100 100 2.1-2.1 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 VAL 41 - HB VAL 76 far 14 93 15 - 3.0-11.6 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 6.7-13.5 QG1 VAL 90 - HB3 MET 31 far 0 45 0 - 6.9-45.2 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 7.6-11.2 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 8.1-10.0 HG12 ILE 68 - HB VAL 76 far 0 100 0 - 8.7-19.6 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 8.8-10.7 QG2 VAL 90 - HB3 MET 31 far 0 44 0 - 9.1-46.5 QD2 LEU 62 - HB VAL 76 far 0 98 0 - 9.8-19.1 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 15 assignments used, quality = 1.00: * H VAL 76 + QG1 VAL 76 OK 99 100 100 99 2.2-4.0 813/2.1=74, 3.9=73...(16) H VAL 76 + QG2 VAL 76 OK 99 100 100 99 1.9-4.0 813/2.1=74, 3.9=73...(16) H ARG 70 - QG2 VAL 76 far 10 99 10 - 4.4-11.5 H LYS 32 - QG1 VAL 90 far 3 60 5 - 3.6-47.8 H ARG 70 - QG1 VAL 76 far 0 99 0 - 5.1-11.3 H ALA 30 - QG1 VAL 90 far 0 52 0 - 5.5-47.8 H ARG 69 - QG2 VAL 76 far 0 75 0 - 6.1-12.9 H LYS 32 - QG2 VAL 90 far 0 58 0 - 6.1-49.4 H ARG 69 - QG1 VAL 76 far 0 76 0 - 6.6-12.6 H LEU 29 - QG1 VAL 90 far 0 75 0 - 6.7-46.5 H ASP 67 - QG1 VAL 76 far 0 60 0 - 7.7-15.7 H ASP 67 - QG2 VAL 76 far 0 59 0 - 7.8-15.8 H ALA 30 - QG2 VAL 90 far 0 50 0 - 8.1-49.1 H LEU 29 - QG2 VAL 76 far 0 98 0 - 9.1-21.2 H LEU 29 - QG2 VAL 90 far 0 73 0 - 9.3-48.0 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 15 assignments used, quality = 1.00: * HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.0-3.2 3.2=100 HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA2 GLY 72 - QG2 VAL 76 far 15 99 15 - 4.1-11.2 HA2 GLY 72 - QG1 VAL 76 far 10 100 10 - 4.3-10.5 HA LYS 32 - QG1 VAL 90 far 4 74 5 - 3.0-48.6 HA LYS 32 - QG2 VAL 90 far 0 72 0 - 5.3-50.3 HA3 GLY 21 - QG2 VAL 76 far 0 88 0 - 6.5-23.5 HA ARG 66 - QG1 VAL 76 far 0 98 0 - 6.5-14.9 HA ARG 66 - QG2 VAL 76 far 0 97 0 - 6.6-14.1 HA3 GLY 21 - QG1 VAL 76 far 0 89 0 - 7.4-21.2 HA ALA 28 - QG1 VAL 90 far 0 73 0 - 7.6-44.3 HA2 GLY 21 - QG2 VAL 76 far 0 89 0 - 7.6-23.3 HA2 GLY 21 - QG1 VAL 76 far 0 90 0 - 8.2-22.5 HA ALA 28 - QG2 VAL 76 far 0 97 0 - 9.3-19.3 HA GLN 61 - QG1 VAL 90 far 0 78 0 - 9.9-44.3 Violated in 0 structures by 0.00 A. Peak 3168 from cnoeabs.peaks (2.04, 0.92, 20.62 ppm; 3.00 A): 4 out of 24 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 poor 15 77 20 - 3.8-5.6 HD3 ARG 69 - QG1 VAL 76 far 14 93 15 - 2.0-12.4 HD2 ARG 69 - QG2 VAL 76 far 14 92 15 - 2.4-11.6 HD3 ARG 69 - QG2 VAL 76 far 14 92 15 - 2.5-11.4 HB VAL 45 - QG1 VAL 76 far 12 81 15 - 3.5-15.2 HD2 ARG 69 - QG1 VAL 76 far 9 93 10 - 2.7-12.3 HB VAL 45 - QG2 VAL 76 far 4 80 5 - 3.8-15.2 HB3 GLN 91 - QG2 VAL 90 lone 3 75 45 8 3.3-7.1 ~3662=5, 3641/3.2=3 HB2 GLU 87 - QG2 VAL 90 far 0 67 0 - 5.7-11.7 HB2 GLU 25 - QG2 VAL 76 far 0 97 0 - 5.7-20.8 HB3 GLU 19 - QG2 VAL 76 far 0 99 0 - 6.1-27.2 HB3 GLU 25 - QG2 VAL 76 far 0 97 0 - 6.3-20.8 HB2 GLU 25 - QG1 VAL 76 far 0 98 0 - 6.4-19.0 HB3 GLU 25 - QG1 VAL 76 far 0 97 0 - 6.8-19.2 HB3 MET 31 - QG1 VAL 90 far 0 46 0 - 6.9-45.2 HB2 GLU 87 - QG1 VAL 90 far 0 69 0 - 7.4-10.6 HB3 GLU 19 - QG1 VAL 76 far 0 99 0 - 7.4-26.5 HG2 PRO 44 - QG1 VAL 76 far 0 100 0 - 7.9-18.0 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 8.4-19.5 HB3 MET 31 - QG2 VAL 90 far 0 44 0 - 9.1-46.5 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 15 assignments used, quality = 1.00: * H VAL 76 + QG2 VAL 76 OK 99 100 100 99 1.9-4.0 813/2.1=74, 3.9=73...(16) H VAL 76 + QG1 VAL 76 OK 99 100 100 99 2.2-4.0 813/2.1=74, 3.9=73...(16) H ARG 70 - QG2 VAL 76 far 10 99 10 - 4.4-11.5 H LYS 32 - QG1 VAL 90 far 3 56 5 - 3.6-47.8 H ARG 70 - QG1 VAL 76 far 0 99 0 - 5.1-11.3 H ALA 30 - QG1 VAL 90 far 0 49 0 - 5.5-47.8 H ARG 69 - QG2 VAL 76 far 0 76 0 - 6.1-12.9 H LYS 32 - QG2 VAL 90 far 0 54 0 - 6.1-49.4 H ARG 69 - QG1 VAL 76 far 0 75 0 - 6.6-12.6 H LEU 29 - QG1 VAL 90 far 0 71 0 - 6.7-46.5 H ASP 67 - QG1 VAL 76 far 0 59 0 - 7.7-15.7 H ASP 67 - QG2 VAL 76 far 0 60 0 - 7.8-15.8 H ALA 30 - QG2 VAL 90 far 0 47 0 - 8.1-49.1 H LEU 29 - QG2 VAL 76 far 0 99 0 - 9.1-21.2 H LEU 29 - QG2 VAL 90 far 0 69 0 - 9.3-48.0 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 15 assignments used, quality = 1.00: * HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.0-3.2 3.2=100 HA2 GLY 72 - QG2 VAL 76 far 15 100 15 - 4.1-11.2 HA2 GLY 72 - QG1 VAL 76 far 10 99 10 - 4.3-10.5 HA LYS 32 - QG1 VAL 90 far 4 70 5 - 3.0-48.6 HA LYS 32 - QG2 VAL 90 far 0 68 0 - 5.3-50.3 HA3 GLY 21 - QG2 VAL 76 far 0 89 0 - 6.5-23.5 HA ARG 66 - QG1 VAL 76 far 0 97 0 - 6.5-14.9 HA ARG 66 - QG2 VAL 76 far 0 98 0 - 6.6-14.1 HA3 GLY 21 - QG1 VAL 76 far 0 88 0 - 7.4-21.2 HA ALA 28 - QG1 VAL 90 far 0 69 0 - 7.6-44.3 HA2 GLY 21 - QG2 VAL 76 far 0 90 0 - 7.6-23.3 HA2 GLY 21 - QG1 VAL 76 far 0 89 0 - 8.2-22.5 HA ALA 28 - QG2 VAL 76 far 0 97 0 - 9.3-19.3 HA GLN 61 - QG1 VAL 90 far 0 74 0 - 9.9-44.3 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (2.04, 0.92, 20.67 ppm; 3.00 A): 4 out of 24 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 poor 15 74 20 - 3.8-5.6 HD2 ARG 69 - QG2 VAL 76 far 14 93 15 - 2.4-11.6 HD3 ARG 69 - QG2 VAL 76 far 14 93 15 - 2.5-11.4 HD3 ARG 69 - QG1 VAL 76 far 14 92 15 - 2.0-12.4 HB VAL 45 - QG1 VAL 76 far 12 80 15 - 3.5-15.2 HD2 ARG 69 - QG1 VAL 76 far 9 92 10 - 2.7-12.3 HB VAL 45 - QG2 VAL 76 far 4 81 5 - 3.8-15.2 HB3 GLN 91 - QG2 VAL 90 lone 3 71 45 8 3.3-7.1 ~3662=5, 3641/3.2=3 HB2 GLU 87 - QG2 VAL 90 far 0 63 0 - 5.7-11.7 HB2 GLU 25 - QG2 VAL 76 far 0 98 0 - 5.7-20.8 HB3 GLU 19 - QG2 VAL 76 far 0 99 0 - 6.1-27.2 HB3 GLU 25 - QG2 VAL 76 far 0 97 0 - 6.3-20.8 HB2 GLU 25 - QG1 VAL 76 far 0 97 0 - 6.4-19.0 HB3 GLU 25 - QG1 VAL 76 far 0 97 0 - 6.8-19.2 HB3 MET 31 - QG1 VAL 90 far 0 43 0 - 6.9-45.2 HB2 GLU 87 - QG1 VAL 90 far 0 66 0 - 7.4-10.6 HB3 GLU 19 - QG1 VAL 76 far 0 99 0 - 7.4-26.5 HG2 PRO 44 - QG1 VAL 76 far 0 100 0 - 7.9-18.0 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 8.4-19.5 HB3 MET 31 - QG2 VAL 90 far 0 42 0 - 9.1-46.5 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): 4 out of 15 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 77 OK 58 97 90 67 3.3-6.3 4.6/3988=24, 358/2.1=22...(11) H GLN 79 + HA ALA 78 OK 50 50 100 100 2.2-3.6 3.6=100 H ALA 77 + HA ALA 78 OK 21 54 50 79 4.6-6.4 5857/2.9=28, ~3988=16...(17) H SER 22 - HA ALA 20 poor 13 42 30 - 4.2-6.9 H GLU 25 - HA ALA 20 far 0 30 0 - 6.4-10.2 H SER 22 - HA ALA 78 far 0 45 0 - 6.8-27.9 H GLN 79 - HA ALA 20 far 0 47 0 - 7.3-31.3 H ALA 12 - HA ALA 20 far 0 45 0 - 8.3-29.5 H ALA 28 - HA ALA 20 far 0 45 0 - 8.5-13.6 H ARG 84 - HA ALA 78 far 0 29 0 - 8.5-14.2 H THR 15 - HA ALA 20 far 0 34 0 - 8.8-19.4 H ALA 77 - HA ALA 20 far 0 51 0 - 8.9-28.7 H ARG 84 - HA ALA 77 far 0 65 0 - 9.5-17.1 H SER 22 - HA ALA 77 far 0 92 0 - 9.7-26.1 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): 4 out of 24 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 78 + HA ALA 77 OK 27 96 50 57 3.7-5.0 2.9/354=21, 3180=9...(12) QB ALA 77 - HA ALA 78 poor 16 54 30 - 3.8-5.0 QB ALA 16 - HA ALA 20 far 2 41 5 - 3.1-12.3 QB ALA 78 - HA ALA 20 far 0 46 0 - 4.6-26.1 HG2 LYS 75 - HA ALA 20 far 0 44 0 - 4.9-26.7 HG3 LYS 73 - HA ALA 77 far 0 96 0 - 5.4-14.7 HG3 LYS 75 - HA ALA 20 far 0 44 0 - 5.5-26.9 HG3 LYS 75 - HA ALA 77 far 0 93 0 - 5.6-10.0 HG3 LYS 73 - HA ALA 78 far 0 48 0 - 5.9-16.2 HG2 LYS 75 - HA ALA 77 far 0 93 0 - 6.2-10.1 HG3 ARG 69 - HA ALA 77 far 0 100 0 - 6.4-18.0 HG3 ARG 69 - HA ALA 78 far 0 54 0 - 6.7-19.8 HG2 LYS 75 - HA ALA 78 far 0 46 0 - 6.8-13.1 HB3 ARG 69 - HA ALA 77 far 0 85 0 - 7.0-18.4 HG2 LYS 83 - HA ALA 78 far 0 52 0 - 7.5-15.0 QB ALA 20 - HA ALA 78 far 0 54 0 - 7.6-27.0 HG3 LYS 75 - HA ALA 78 far 0 46 0 - 7.8-13.2 HB3 ARG 69 - HA ALA 78 far 0 40 0 - 7.8-21.1 HG2 LYS 83 - HA ALA 77 far 0 99 0 - 8.0-18.5 QB ALA 77 - HA ALA 20 far 0 51 0 - 8.8-26.1 QB ALA 20 - HA ALA 77 far 0 100 0 - 9.4-26.7 Violated in 0 structures by 0.00 A. Peak 3180 from cnoeabs.peaks (4.23, 1.38, 18.78 ppm; 2.60 A): 4 out of 32 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 78 OK 23 92 45 56 3.7-5.0 354/2.9=20, 3178=11...(12) HA LYS 75 - QB ALA 78 poor 17 87 20 - 2.9-10.0 HA GLU 19 - QB ALA 20 poor 16 75 45 46 3.8-5.0 4.5=19, 27/2.9=11, ~29=7...(8) HA ALA 78 - QB ALA 77 far 9 63 15 - 3.8-5.0 HA THR 15 - QB ALA 16 lone 7 56 85 14 3.7-4.6 5.0=14 HA LYS 75 - QB ALA 77 far 5 97 5 - 4.0-7.2 HB THR 37 - QB ALA 20 far 5 96 5 - 3.9-12.2 HA GLU 19 - QB ALA 16 far 2 41 5 - 3.9-9.7 HA ALA 20 - QB ALA 16 far 2 34 5 - 3.1-12.3 HA LYS 83 - QB ALA 78 far 0 88 0 - 4.2-11.1 HA LYS 75 - QB ALA 20 far 0 97 0 - 4.6-24.6 HA GLU 19 - QB ALA 78 far 0 64 0 - 4.6-29.4 HA ALA 20 - QB ALA 78 far 0 55 0 - 4.6-26.1 HB THR 37 - QB ALA 16 far 0 58 0 - 5.4-18.0 HA LYS 39 - QB ALA 16 far 0 52 0 - 5.6-20.4 HA THR 15 - QB ALA 20 far 0 95 0 - 6.2-16.2 HA ALA 12 - QB ALA 16 far 0 39 0 - 6.4-12.3 HA LYS 85 - QB ALA 78 far 0 91 0 - 6.8-16.6 HA GLU 19 - QB ALA 77 far 0 76 0 - 7.5-27.5 HA ALA 78 - QB ALA 20 far 0 62 0 - 7.6-27.0 HA LYS 83 - QB ALA 77 far 0 98 0 - 7.7-14.3 HA ALA 12 - QB ALA 20 far 0 73 0 - 7.8-24.1 HA LYS 39 - QB ALA 20 far 0 90 0 - 7.9-16.7 HA LYS 39 - QB ALA 78 far 0 79 0 - 8.2-22.3 HA LEU 64 - QB ALA 20 far 0 68 0 - 8.7-18.4 HA ALA 20 - QB ALA 77 far 0 65 0 - 8.8-26.1 HA ALA 77 - QB ALA 20 far 0 100 0 - 9.4-26.7 HA LEU 64 - QB ALA 78 far 0 57 0 - 9.6-24.5 HA LEU 64 - QB ALA 77 far 0 68 0 - 9.7-20.6 Violated in 0 structures by 0.00 A. Peak 3181 from cnoeabs.peaks (1.38, 1.38, 18.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QB ALA 77 + QB ALA 77 OK 100 100 - 100 QB ALA 20 + QB ALA 20 OK 100 100 - 100 QB ALA 78 + QB ALA 78 OK 85 85 - 100 QB ALA 16 + QB ALA 16 OK 52 52 - 100 Peak 3182 from cnoeabs.peaks (8.15, 4.21, 52.88 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 78 + HA ALA 78 OK 100 100 100 100 2.3-2.9 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 6 56 10 - 4.8-12.1 H ASN 74 - HA ALA 78 far 0 100 0 - 6.7-13.5 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 18 assignments used, quality = 1.00: * QB ALA 78 + HA ALA 78 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 77 + HA ALA 77 OK 50 50 100 100 2.1-2.1 2.1=100 QB ALA 77 - HA ALA 78 poor 19 96 35 58 3.8-5.0 355/2.9=18, 4.9=16...(12) QB ALA 78 - HA ALA 77 poor 14 57 50 50 3.7-5.0 821/3.6=17, ~355=7...(11) HG3 LYS 73 - HA ALA 77 far 0 57 0 - 5.4-14.7 HG3 LYS 75 - HA ALA 77 far 0 57 0 - 5.6-10.0 HG3 LYS 73 - HA ALA 78 far 0 100 0 - 5.9-16.2 HG2 LYS 75 - HA ALA 77 far 0 57 0 - 6.2-10.1 HG3 ARG 69 - HA ALA 77 far 0 51 0 - 6.4-18.0 HG3 ARG 69 - HA ALA 78 far 0 97 0 - 6.7-19.8 HG2 LYS 75 - HA ALA 78 far 0 100 0 - 6.8-13.1 HB3 ARG 69 - HA ALA 77 far 0 55 0 - 7.0-18.4 HG2 LYS 83 - HA ALA 78 far 0 85 0 - 7.5-15.0 QB ALA 20 - HA ALA 78 far 0 97 0 - 7.6-27.0 HG3 LYS 75 - HA ALA 78 far 0 100 0 - 7.8-13.2 HB3 ARG 69 - HA ALA 78 far 0 99 0 - 7.8-21.1 HG2 LYS 83 - HA ALA 77 far 0 42 0 - 8.0-18.5 QB ALA 20 - HA ALA 77 far 0 52 0 - 9.4-26.7 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (8.15, 1.39, 18.67 ppm; 3.49 A): 2 out of 9 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 91 92 100 99 2.1-3.7 3.6=94, 354/2.1=44...(18) H ASN 74 - QB ALA 77 poor 18 91 25 78 3.9-11.3 3.0/16040=46, ~16039=17...(9) H ARG 26 - QB ALA 20 far 12 81 15 - 3.1-8.6 H ASN 74 - QB ALA 78 far 0 100 0 - 5.5-12.5 H LEU 57 - QB ALA 53 far 0 59 0 - 6.4-7.5 H ASN 74 - QB ALA 20 far 0 95 0 - 7.0-20.0 H ALA 78 - QB ALA 20 far 0 96 0 - 7.2-26.8 H ARG 26 - QB ALA 78 far 0 89 0 - 9.7-24.3 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (4.21, 1.39, 18.67 ppm; 2.82 A): 4 out of 16 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 OK 45 98 85 54 3.7-5.0 5446=30, 3.0/5412=9...(8) HA ALA 78 + QB ALA 77 OK 33 92 55 65 3.8-5.0 2.9/355=20, 4.9=19...(13) HA ALA 77 - QB ALA 78 poor 19 65 55 54 3.7-5.0 3.6/821=19, ~355=8...(10) HA GLN 79 - QB ALA 77 poor 11 88 30 40 3.4-7.3 5446/4.6=13, 3.0/358=10...(8) HB THR 37 - QB ALA 20 far 4 81 5 - 3.9-12.2 HA LYS 73 - QB ALA 77 far 0 58 0 - 4.3-13.2 HA LYS 73 - QB ALA 78 far 0 69 0 - 4.6-14.2 HA GLN 79 - QB ALA 20 far 0 92 0 - 6.7-27.6 HA LYS 85 - QB ALA 78 far 0 76 0 - 6.8-16.6 HA ALA 78 - QB ALA 20 far 0 96 0 - 7.6-27.0 HA ARG 84 - QB ALA 78 far 0 78 0 - 7.8-13.6 HA LYS 73 - QB ALA 20 far 0 62 0 - 7.9-18.4 HA ALA 77 - QB ALA 20 far 0 59 0 - 9.4-26.7 HA ARG 84 - QB ALA 77 far 0 67 0 - 9.6-15.9 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 10 assignments used, quality = 1.00: * HB2 GLN 79 + HA GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 79 + HA GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 ARG 70 - HA GLN 79 far 0 96 0 - 6.2-18.3 HB2 ARG 70 - HA GLN 79 far 0 96 0 - 7.0-19.4 HB3 GLN 79 - HA ARG 82 far 0 39 0 - 7.2-11.4 HB2 GLN 79 - HA ARG 82 far 0 74 0 - 7.4-11.7 HB2 ARG 70 - HA ARG 82 far 0 66 0 - 7.7-26.9 HB3 ARG 66 - HA ARG 82 far 0 45 0 - 8.1-31.5 HB3 ARG 66 - HA GLN 79 far 0 71 0 - 8.2-24.2 HB3 ARG 70 - HA ARG 82 far 0 66 0 - 8.6-25.4 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 6 assignments used, quality = 1.00: * HB3 GLN 79 + HA GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 79 + HA GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 GLN 79 - HA ARG 82 far 0 74 0 - 7.2-11.4 HG2 ARG 66 - HA GLN 79 far 0 90 0 - 7.3-23.6 HB2 GLN 79 - HA ARG 82 far 0 39 0 - 7.4-11.7 HG2 ARG 66 - HA ARG 82 far 0 61 0 - 9.3-31.8 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 6 assignments used, quality = 1.00: * HG2 GLN 79 + HA GLN 79 OK 98 100 100 98 2.0-3.8 3.7=95, 5415/3.0=22...(8) HG3 GLN 79 + HA GLN 79 OK 98 100 100 98 2.3-3.7 3.7=95, 5415/3.0=22...(8) HG3 GLU 25 - HA GLN 79 far 0 71 0 - 5.2-29.4 HG2 GLN 79 - HA ARG 82 far 0 74 0 - 6.3-13.4 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 7.6-13.6 HG3 GLU 25 - HA ARG 82 far 0 45 0 - 9.2-32.4 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 6 assignments used, quality = 1.00: HG2 GLN 79 + HA GLN 79 OK 98 100 100 98 2.0-3.8 3.7=95, 5415/3.0=22...(8) * HG3 GLN 79 + HA GLN 79 OK 98 100 100 98 2.3-3.7 3.7=95, 5415/3.0=22...(8) HG3 GLU 25 - HA GLN 79 far 0 71 0 - 5.2-29.4 HG2 GLN 79 - HA ARG 82 far 0 74 0 - 6.3-13.4 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 7.6-13.6 HG3 GLU 25 - HA ARG 82 far 0 45 0 - 9.2-32.4 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 12 assignments used, quality = 1.00: * HA GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB2 GLN 79 poor 20 98 20 - 4.2-6.6 HA ALA 78 - HB3 GLN 79 poor 15 59 25 - 4.4-6.6 HA LYS 73 - HB2 GLN 79 far 4 87 5 - 5.0-19.7 HA LYS 73 - HB3 GLN 79 far 0 48 0 - 6.4-20.7 HA ARG 82 - HB3 GLN 79 far 0 44 0 - 7.2-11.4 HA ARG 82 - HB2 GLN 79 far 0 81 0 - 7.4-11.7 HA ARG 84 - HB2 GLN 79 far 0 95 0 - 8.2-16.9 HB THR 37 - HB3 GLN 79 far 0 36 0 - 8.6-26.4 HB THR 37 - HB2 GLN 79 far 0 68 0 - 8.7-26.3 HA ARG 84 - HB3 GLN 79 far 0 55 0 - 9.9-16.7 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 6 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 2.4-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 GLU 25 - HB2 GLN 79 far 4 71 5 - 3.3-31.1 HG3 GLU 25 - HB3 GLN 79 far 2 37 5 - 4.2-29.9 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 6 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 2.4-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 GLU 25 - HB2 GLN 79 far 4 71 5 - 3.3-31.1 HG3 GLU 25 - HB3 GLN 79 far 2 37 5 - 4.2-29.9 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (8.22, 1.99, 28.98 ppm; 4.56 A): 3 out of 11 assignments used, quality = 1.00: * H GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.1-4.0 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 OK 21 98 40 52 3.6-9.5 349/6044=19, 4.3/5373=9...(9) H ALA 77 - HB2 GLN 79 poor 9 59 35 44 4.0-10.0 349/6044=23, ~5446=9...(6) H SER 22 - HB3 GLN 79 far 5 99 5 - 3.9-31.5 H GLU 25 - HB3 GLN 79 far 5 90 5 - 6.0-28.4 H SER 22 - HB2 GLN 79 far 3 61 5 - 3.9-32.5 H GLU 25 - HB2 GLN 79 far 3 51 5 - 5.9-29.4 H ARG 84 - HB2 GLN 79 far 2 48 5 - 5.7-15.8 H ARG 84 - HB3 GLN 79 far 0 87 0 - 7.4-15.3 H GLN 79 - HG2 ARG 66 far 0 89 0 - 9.3-24.4 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 15 assignments used, quality = 1.00: * HA GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB3 GLN 79 poor 15 98 25 61 4.4-6.6 3.6/5414=28, ~5446=20...(7) HA ALA 78 - HB2 GLN 79 poor 15 59 25 - 4.2-6.6 HA LYS 73 - HB2 GLN 79 far 2 48 5 - 5.0-19.7 HA LYS 73 - HB3 GLN 79 far 0 87 0 - 6.4-20.7 HA ARG 82 - HB3 GLN 79 far 0 81 0 - 7.2-11.4 HA GLN 79 - HG2 ARG 66 far 0 89 0 - 7.3-23.6 HA ARG 82 - HB2 GLN 79 far 0 44 0 - 7.4-11.7 HA ARG 84 - HB2 GLN 79 far 0 55 0 - 8.2-16.9 HB THR 37 - HB3 GLN 79 far 0 68 0 - 8.6-26.4 HB THR 37 - HB2 GLN 79 far 0 36 0 - 8.7-26.3 HA ALA 78 - HG2 ARG 66 far 0 85 0 - 9.3-26.0 HA ARG 82 - HG2 ARG 66 far 0 66 0 - 9.3-31.8 HA ARG 84 - HB3 GLN 79 far 0 95 0 - 9.9-16.7 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 9 assignments used, quality = 1.00: HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 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 2.4-3.0 3.0=100 HG3 GLU 25 - HB3 GLN 79 far 4 71 5 - 4.2-29.9 HG3 GLU 25 - HB2 GLN 79 far 2 37 5 - 3.3-31.1 HG2 GLN 79 - HG2 ARG 66 far 0 89 0 - 7.3-23.8 HG3 GLU 59 - HG2 ARG 66 far 0 89 0 - 8.2-12.0 HG3 GLN 79 - HG2 ARG 66 far 0 89 0 - 8.6-24.1 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (2.33, 1.99, 28.98 ppm; 3.45 A): 4 out of 9 assignments used, quality = 1.00: * HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 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 2.4-3.0 3.0=100 HG3 GLU 25 - HB3 GLN 79 far 4 71 5 - 4.2-29.9 HG3 GLU 25 - HB2 GLN 79 far 2 37 5 - 3.3-31.1 HG2 GLN 79 - HG2 ARG 66 far 0 89 0 - 7.3-23.8 HG3 GLU 59 - HG2 ARG 66 far 0 89 0 - 8.2-12.0 HG3 GLN 79 - HG2 ARG 66 far 0 89 0 - 8.6-24.1 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (1.97, 2.33, 33.49 ppm; 3.32 A): 4 out of 10 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 2.4-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 ARG 70 - HG2 GLN 79 far 5 96 5 - 3.9-18.2 HB2 ARG 70 - HG2 GLN 79 far 5 96 5 - 4.4-18.2 HB3 ARG 70 - HG3 GLN 79 far 0 96 0 - 5.0-19.0 HB2 ARG 70 - HG3 GLN 79 far 0 96 0 - 5.1-19.1 HB3 ARG 66 - HG2 GLN 79 far 0 71 0 - 7.4-22.6 HB3 ARG 66 - HG3 GLN 79 far 0 71 0 - 8.4-23.1 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 6 assignments used, quality = 1.00: HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLN 79 + HG2 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 2.4-3.0 3.0=100 HG2 ARG 66 - HG2 GLN 79 far 0 90 0 - 7.3-23.8 HG2 ARG 66 - HG3 GLN 79 far 0 90 0 - 8.6-24.1 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 10 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 2.4-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 ARG 70 - HG2 GLN 79 far 5 96 5 - 3.9-18.2 HB2 ARG 70 - HG2 GLN 79 far 5 96 5 - 4.4-18.2 HB3 ARG 70 - HG3 GLN 79 far 0 96 0 - 5.0-19.0 HB2 ARG 70 - HG3 GLN 79 far 0 96 0 - 5.1-19.1 HB3 ARG 66 - HG2 GLN 79 far 0 71 0 - 7.4-22.6 HB3 ARG 66 - HG3 GLN 79 far 0 71 0 - 8.4-23.1 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 6 assignments used, quality = 1.00: * HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 79 + HG2 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 2.4-3.0 3.0=100 HG2 ARG 66 - HG2 GLN 79 far 0 90 0 - 7.3-23.8 HG2 ARG 66 - HG3 GLN 79 far 0 90 0 - 8.6-24.1 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): 3 out of 17 assignments used, quality = 1.00: * HB2 ARG 82 + HA ARG 82 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 LYS 83 + HA ARG 84 OK 24 54 80 56 4.1-5.7 6062=15, ~368=14...(8) HB3 LYS 85 + HA ARG 84 OK 21 44 80 58 4.1-5.0 4.0/377=27, 6062=17...(8) HB3 LYS 83 - HA ARG 82 poor 19 76 25 - 4.1-6.2 HB2 ARG 82 - HA ARG 84 far 0 81 0 - 4.9-7.4 HB2 ARG 82 - HA GLN 79 far 0 76 0 - 5.6-13.4 HB3 LYS 83 - HA GLN 79 far 0 50 0 - 7.6-13.7 HG2 ARG 70 - HA LYS 73 far 0 49 0 - 7.6-10.1 HB3 LYS 85 - HA ARG 82 far 0 63 0 - 7.8-11.7 HG3 ARG 66 - HA GLN 79 far 0 76 0 - 8.1-25.0 HG3 ARG 66 - HA ARG 82 far 0 100 0 - 8.4-32.7 HG2 ARG 70 - HA GLN 79 far 0 66 0 - 8.6-19.5 HB3 LYS 85 - HA GLN 79 far 0 41 0 - 8.7-19.0 HB3 LYS 83 - HA LYS 73 far 0 37 0 - 9.2-26.6 HB2 LEU 29 - HA ARG 84 far 0 56 0 - 9.5-43.8 HG2 ARG 70 - HA ARG 84 far 0 70 0 - 9.6-32.5 HG2 ARG 23 - HA GLN 79 far 0 48 0 - 9.9-28.8 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 2.6-3.0 3.0=100 HB2 LYS 83 - HA ARG 82 poor 18 90 50 40 4.3-5.8 361/3.6=16, 2979=14...(6) HB2 LYS 83 - HA ARG 84 poor 17 67 25 - 4.4-5.8 HB3 LYS 75 - HA LYS 73 far 6 38 15 - 4.0-9.4 HB3 ARG 82 - HA GLN 79 far 4 76 5 - 4.5-12.8 HB3 ARG 82 - HA ARG 84 far 0 81 0 - 6.1-8.7 HB3 LYS 73 - HA GLN 79 far 0 68 0 - 6.2-18.5 HG3 ARG 26 - HA ARG 84 far 0 66 0 - 6.5-41.6 HB2 LYS 83 - HA GLN 79 far 0 63 0 - 6.5-12.8 HG3 ARG 71 - HA LYS 73 far 0 49 0 - 7.2-9.8 HB3 LYS 75 - HA GLN 79 far 0 52 0 - 7.7-13.4 HB2 LYS 83 - HA LYS 73 far 0 46 0 - 8.2-25.9 HB3 LYS 73 - HA ARG 82 far 0 96 0 - 9.2-20.2 HG3 ARG 26 - HA GLN 79 far 0 61 0 - 9.3-30.4 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 2.4-2.8 3.0=100 HA ARG 84 - HB2 ARG 82 far 5 99 5 - 4.9-7.4 HA ALA 78 - HB2 ARG 82 far 0 60 0 - 5.4-14.2 HA GLN 79 - HB2 ARG 82 far 0 83 0 - 5.6-13.4 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 6 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 - 4.9-6.6 HB3 LYS 73 - HB2 ARG 82 far 0 96 0 - 8.0-21.7 HG3 ARG 26 - HB2 ARG 82 far 0 89 0 - 8.2-38.6 HG3 ARG 71 - HB2 ARG 82 far 0 93 0 - 9.0-31.6 HB2 LEU 62 - HB2 ARG 82 far 0 85 0 - 9.5-39.0 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 15 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 poor 17 83 20 - 4.5-12.8 HB THR 15 - HB3 ARG 17 far 7 66 10 - 4.0-10.4 HA LEU 29 - HB3 LYS 32 far 7 65 10 - 4.9-7.0 HB THR 15 - HB3 LYS 32 far 4 75 5 - 4.3-27.8 HB THR 15 - HB2 LYS 32 far 4 75 5 - 5.2-26.4 HA ALA 78 - HB3 ARG 82 far 3 60 5 - 3.8-12.6 HA LEU 29 - HB2 LYS 32 far 0 65 0 - 5.3-7.2 HA LEU 29 - HB3 ARG 17 far 0 57 0 - 6.0-24.1 HA ARG 84 - HB3 ARG 82 far 0 99 0 - 6.1-8.7 HA ILE 89 - HB3 LYS 32 far 0 77 0 - 6.5-54.9 HB THR 15 - HB2 PRO 34 far 0 86 0 - 7.4-27.5 HA ILE 89 - HB2 LYS 32 far 0 77 0 - 7.7-54.3 HA LEU 29 - HB2 PRO 34 far 0 76 0 - 8.8-11.2 HA ALA 53 - HB2 PRO 34 far 0 81 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 3243 from cnoeabs.peaks (1.69, 1.76, 30.45 ppm; 2.40 A): 1 out of 24 assignments used, quality = 1.00: * HB2 ARG 82 + HB3 ARG 82 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 13 - HB3 LYS 32 far 0 41 0 - 4.6-28.8 HB2 LEU 29 - HB3 ARG 17 far 0 48 0 - 5.3-22.6 HD3 LYS 13 - HB2 LYS 32 far 0 41 0 - 5.4-27.2 HB3 LYS 13 - HB3 LYS 32 far 0 71 0 - 6.0-30.0 HD2 LYS 13 - HB3 LYS 32 far 0 41 0 - 6.1-29.2 HB3 LYS 83 - HB3 ARG 82 far 0 76 0 - 6.2-7.6 HB2 LEU 29 - HB3 LYS 32 far 0 56 0 - 6.6-9.5 HB3 LYS 13 - HB2 LYS 32 far 0 71 0 - 6.7-28.5 HB2 LEU 29 - HB2 LYS 32 far 0 56 0 - 7.0-9.7 HD2 LYS 13 - HB2 LYS 32 far 0 41 0 - 7.1-27.6 HB3 LYS 85 - HB3 ARG 82 far 0 63 0 - 7.1-12.6 HG LEU 29 - HB3 ARG 17 far 0 52 0 - 7.3-23.3 HD3 LYS 13 - HB3 ARG 17 far 0 36 0 - 7.5-17.7 HG3 ARG 66 - HB3 ARG 82 far 0 100 0 - 7.5-33.9 HG2 ARG 70 - HB3 ARG 82 far 0 93 0 - 7.6-28.0 HG LEU 29 - HB2 LYS 32 far 0 60 0 - 8.1-10.5 HG LEU 29 - HB3 LYS 32 far 0 60 0 - 8.3-10.5 HB3 LEU 64 - HB2 LYS 32 far 0 80 0 - 8.9-12.1 HD2 LYS 13 - HB3 ARG 17 far 0 36 0 - 8.9-16.4 HB3 LYS 13 - HB3 ARG 17 far 0 63 0 - 9.1-15.7 HD3 LYS 13 - HB2 PRO 34 far 0 49 0 - 9.2-29.5 HB3 LEU 64 - HB3 LYS 32 far 0 80 0 - 9.8-12.4 HG2 ARG 70 - HB3 ARG 17 far 0 61 0 - 9.9-29.5 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 5 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 4 73 5 - 4.8-9.4 H ASP 24 - HA GLU 19 far 0 62 0 - 9.2-14.3 H ASP 24 - HA LYS 85 far 0 46 0 - 9.7-39.0 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 13 assignments used, quality = 1.00: * HB2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 85 + HA LYS 85 OK 52 52 100 100 2.4-3.0 3.0=100 HB3 ARG 84 - HA LYS 85 poor 20 52 65 59 4.1-6.1 ~377=14, ~378=14...(9) HB3 ARG 82 - HA LYS 83 far 14 90 15 - 4.6-6.1 HB3 ARG 84 - HA LYS 83 poor 8 81 25 38 4.4-6.6 368/3.6=19, ~5896=8...(5) HB2 LYS 85 - HA LYS 83 far 4 81 5 - 4.7-9.4 HB2 LYS 83 - HA LYS 85 far 0 73 0 - 5.8-8.9 HB3 ARG 82 - HA LYS 85 far 0 60 0 - 6.2-12.3 HB3 LYS 73 - HA LYS 83 far 0 100 0 - 7.6-22.5 HB3 LYS 39 - HA GLU 19 far 0 92 0 - 8.5-22.3 HB3 LYS 75 - HA GLU 19 far 0 90 0 - 8.8-30.1 HB2 LYS 13 - HA GLU 19 far 0 89 0 - 9.1-20.3 HB ILE 33 - HA GLU 19 far 0 83 0 - 9.3-20.4 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (1.72, 4.24, 56.21 ppm; 3.57 A): 5 out of 13 assignments used, quality = 1.00: * HB3 LYS 83 + HA LYS 83 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 85 + HA LYS 85 OK 72 72 100 100 2.3-3.0 3.0=100 HB2 ARG 82 + HA LYS 83 OK 34 76 95 48 4.2-5.2 833/2.9=18, ~361=16...(8) HB2 ARG 84 + HA LYS 85 OK 29 69 65 65 4.2-5.8 851/2.9=26, ~377=16...(9) HB2 ARG 84 + HA LYS 83 OK 21 98 50 42 4.3-6.1 842/3.6=20, ~5896=9...(7) HB3 LYS 83 - HA LYS 85 far 4 73 5 - 4.9-8.6 HB3 ARG 17 - HA GLU 19 far 0 57 0 - 5.2-8.6 HB3 LYS 85 - HA LYS 83 far 0 100 0 - 5.3-8.9 HB2 ARG 82 - HA LYS 85 far 0 48 0 - 5.3-11.1 HB2 LEU 29 - HA GLU 19 far 0 92 0 - 5.6-18.7 HB2 LEU 29 - HA LYS 85 far 0 73 0 - 6.8-44.3 HG2 ARG 70 - HA LYS 85 far 0 69 0 - 7.1-33.7 HG2 ARG 70 - HA LYS 83 far 0 98 0 - 8.9-28.7 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 6 assignments used, quality = 1.00: * H LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.2-3.8 4.0=100 H ASP 24 - HB3 LYS 75 far 7 71 10 - 4.0-22.3 H LYS 83 - HB2 LYS 85 far 0 81 0 - 6.8-10.9 H LYS 83 - HB3 LYS 73 far 0 96 0 - 7.1-22.1 H GLU 19 - HB3 LYS 75 far 0 96 0 - 7.6-29.0 H ASP 24 - HB3 LYS 73 far 0 67 0 - 10.0-15.8 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 24 assignments used, quality = 1.00: * HA LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 99 99 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 92 92 100 100 2.2-3.0 3.0=100 HA LYS 85 + HB2 LYS 85 OK 70 70 100 100 2.4-3.0 3.0=100 HA THR 15 - HB3 LYS 39 far 5 94 5 - 4.4-29.3 HA ALA 77 - HB3 LYS 73 far 5 92 5 - 4.6-14.5 HA THR 15 - HB2 LYS 13 far 4 87 5 - 3.8-7.4 HA ALA 12 - HB2 LYS 13 far 4 76 5 - 4.5-6.0 HA LYS 83 - HB2 LYS 85 far 0 81 0 - 4.7-9.4 HA LYS 75 - HB3 LYS 73 far 0 96 0 - 4.9-8.1 HA ALA 20 - HB3 LYS 75 far 0 85 0 - 5.4-28.2 HA ALA 77 - HB3 LYS 75 far 0 96 0 - 5.8-8.9 HA LYS 85 - HB2 LYS 83 far 0 93 0 - 5.8-8.9 HA LYS 39 - HB2 LYS 13 far 0 85 0 - 5.9-31.7 HB THR 37 - HB3 LYS 39 far 0 73 0 - 6.8-9.3 HB THR 37 - HB3 LYS 75 far 0 81 0 - 6.9-19.1 HB THR 37 - HB3 LYS 73 far 0 76 0 - 7.0-12.7 HA ALA 77 - HB2 LYS 83 far 0 97 0 - 7.2-17.1 HA LYS 83 - HB3 LYS 73 far 0 96 0 - 7.6-22.5 HA GLU 19 - HB3 LYS 39 far 0 84 0 - 8.5-22.3 HA GLU 19 - HB3 LYS 75 far 0 92 0 - 8.8-30.1 HB THR 37 - HB2 LYS 85 far 0 60 0 - 8.9-37.3 HA GLU 19 - HB2 LYS 13 far 0 78 0 - 9.1-20.3 HA ALA 12 - HB3 LYS 39 far 0 83 0 - 9.7-37.1 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 22 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 LEU 43 - HB3 LYS 39 far 0 92 0 - 4.1-6.5 HB2 ARG 84 - HB2 LYS 85 far 0 76 0 - 4.6-7.4 HB2 ARG 84 - HB2 LYS 83 far 0 98 0 - 4.6-7.6 HB2 LEU 29 - HB2 LYS 13 far 0 88 0 - 4.7-28.0 HB2 ARG 82 - HB2 LYS 83 far 0 76 0 - 4.9-6.6 HB3 LYS 83 - HB2 LYS 85 far 0 81 0 - 4.9-10.1 HG2 ARG 70 - HB3 LYS 73 far 0 93 0 - 5.4-8.0 HB3 LYS 85 - HB2 LYS 83 far 0 100 0 - 5.6-9.3 HB3 LYS 83 - HB3 LYS 73 far 0 96 0 - 6.3-24.4 HG2 ARG 70 - HB3 LYS 75 far 0 97 0 - 7.0-13.6 HB2 LEU 43 - HB2 LYS 13 far 0 85 0 - 7.4-33.0 HB2 ARG 82 - HB2 LYS 85 far 0 54 0 - 7.8-12.7 HB2 LEU 29 - HB2 LYS 85 far 0 80 0 - 7.9-44.0 HG2 ARG 70 - HB2 LYS 83 far 0 98 0 - 8.0-27.2 HB2 ARG 82 - HB3 LYS 73 far 0 69 0 - 8.0-21.7 HB3 ARG 17 - HB2 LYS 13 far 0 54 0 - 8.1-15.2 HB2 LEU 43 - HB3 LYS 73 far 0 94 0 - 8.5-12.5 HB3 ARG 17 - HB3 LYS 39 far 0 60 0 - 8.9-25.2 HG2 ARG 70 - HB2 LYS 85 far 0 76 0 - 9.2-32.3 HG3 ARG 66 - HB3 LYS 73 far 0 72 0 - 9.7-14.2 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 2.4-3.9 4.0=100 H LYS 83 - HB3 LYS 85 far 5 100 5 - 6.0-9.5 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (4.24, 1.72, 32.59 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 83 + HB3 LYS 83 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 85 + HB3 LYS 85 OK 92 92 100 100 2.3-3.0 3.0=100 HA LYS 85 - HB3 LYS 83 far 9 93 10 - 4.9-8.6 HA LYS 83 - HB3 LYS 85 far 5 100 5 - 5.3-8.9 HA ALA 77 - HB3 LYS 83 far 0 97 0 - 7.3-17.7 HA LEU 64 - HB3 LYS 85 far 0 87 0 - 9.5-38.6 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 9 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 85 far 0 79 0 - 4.8-6.9 HB2 LYS 85 - HB3 LYS 83 far 0 81 0 - 4.9-10.1 HB3 ARG 84 - HB3 LYS 83 far 0 81 0 - 5.3-7.5 HB2 LYS 83 - HB3 LYS 85 far 0 100 0 - 5.6-9.3 HB3 ARG 82 - HB3 LYS 83 far 0 90 0 - 6.2-7.6 HB3 LYS 73 - HB3 LYS 83 far 0 100 0 - 6.3-24.4 HB3 ARG 82 - HB3 LYS 85 far 0 89 0 - 7.1-12.6 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): 2 out of 16 assignments used, quality = 1.00: * H ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-2.9 3.0=100 H ALA 28 + HA LEU 29 OK 40 55 80 92 5.0-5.5 76/3.0=60, 5538/3.6=35...(8) H ALA 77 - HA LYS 73 far 9 58 15 - 3.9-13.5 H GLN 79 - HA LYS 73 far 8 81 10 - 4.9-17.4 H ARG 84 - HA ARG 82 poor 4 80 25 20 3.2-6.5 4.3/2979=8, 4.3/6062=7...(6) H THR 15 - HA LEU 29 far 3 63 5 - 5.1-22.2 H ILE 89 - HA LEU 29 far 0 37 0 - 6.4-52.6 H ARG 27 - HA LEU 29 far 0 45 0 - 6.6-7.3 H SER 22 - HA ARG 82 far 0 72 0 - 7.9-35.6 H GLN 79 - HA ARG 82 far 0 65 0 - 8.0-11.8 H GLU 25 - HA LEU 29 far 0 64 0 - 8.4-9.5 H GLU 25 - HA LYS 73 far 0 95 0 - 9.1-14.7 H SER 22 - HA LEU 29 far 0 57 0 - 9.1-14.0 H SER 22 - HA ARG 84 far 0 96 0 - 9.3-39.7 H GLU 25 - HA ARG 84 far 0 100 0 - 9.4-38.3 H ALA 77 - HA ARG 82 far 0 45 0 - 9.5-15.5 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HA ARG 84 OK 100 100 - 100 HA LYS 73 + HA LYS 73 OK 94 94 - 100 HA ARG 82 + HA ARG 82 OK 77 77 - 100 HA LEU 29 + HA LEU 29 OK 40 40 - 100 Peak 3369 from cnoeabs.peaks (1.73, 4.18, 56.53 ppm; 3.30 A): 4 out of 17 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 29 + HA LEU 29 OK 59 59 100 100 2.3-3.0 3.0=100 HB3 LYS 85 + HA ARG 84 OK 52 100 80 65 4.1-5.0 4.0/377=27, 6062=27...(8) HB3 LYS 83 + HA ARG 84 OK 51 98 80 64 4.1-5.7 6062=24, 842/3.0=18...(8) HB3 LYS 83 - HA ARG 82 poor 19 76 25 - 4.1-6.2 HB2 ARG 84 - HA ARG 82 far 4 80 5 - 4.5-9.3 HB3 ARG 17 - HA LEU 29 far 0 51 0 - 6.0-24.1 HG3 ARG 26 - HA ARG 84 far 0 78 0 - 6.5-41.6 HG3 ARG 71 - HA LYS 73 far 0 63 0 - 7.2-9.8 HG3 ARG 26 - HA LEU 29 far 0 43 0 - 7.2-9.2 HG2 ARG 70 - HA LYS 73 far 0 79 0 - 7.6-10.1 HB3 LYS 85 - HA ARG 82 far 0 79 0 - 7.8-11.7 HB2 LEU 43 - HA LYS 73 far 0 95 0 - 9.1-12.8 HB3 LYS 83 - HA LYS 73 far 0 92 0 - 9.2-26.6 HB3 LEU 64 - HA LEU 29 far 0 32 0 - 9.3-10.8 HB2 LEU 29 - HA ARG 84 far 0 97 0 - 9.5-43.8 HG2 ARG 70 - HA ARG 84 far 0 87 0 - 9.6-32.5 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 19 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 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...(16) HB3 LYS 73 + HA LYS 73 OK 63 63 100 100 2.6-3.0 3.0=96, 788/3.0=32...(17) HB2 LYS 85 - HA ARG 84 far 10 100 10 - 4.4-5.7 HB3 LYS 75 - HA LYS 73 far 8 84 10 - 4.0-9.4 HB2 LYS 83 - HA ARG 84 far 8 81 10 - 4.4-5.8 HB2 LYS 13 - HA LEU 29 far 6 56 10 - 4.3-28.3 HB2 LYS 83 - HA ARG 82 poor 6 58 35 27 4.3-5.8 832/3.6=12, 2979=9...(4) HB3 LYS 32 - HA LEU 29 far 0 32 0 - 4.9-7.0 HB2 LYS 32 - HA LEU 29 far 0 32 0 - 5.3-7.2 HB3 ARG 84 - HA ARG 82 far 0 80 0 - 5.4-8.9 HB ILE 89 - HA LEU 29 far 0 45 0 - 5.5-55.1 HB2 ARG 69 - HA LYS 73 far 0 96 0 - 6.8-9.1 HB2 LYS 85 - HA ARG 82 far 0 80 0 - 7.7-12.7 HB2 LYS 83 - HA LYS 73 far 0 73 0 - 8.2-25.9 HB2 LYS 73 - HA ARG 82 far 0 60 0 - 8.4-21.3 HB2 PRO 34 - HA LEU 29 far 0 42 0 - 8.8-11.2 HB3 LYS 73 - HA ARG 82 far 0 50 0 - 9.2-20.2 HB2 LYS 85 - HA LEU 29 far 0 64 0 - 9.2-43.8 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 26 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 99 100 100 99 2.2-4.0 3.9=68, 3402/3.0=32...(45) HG3 ARG 84 + HA ARG 84 OK 99 100 100 99 3.0-3.9 3.9=68, 3402/3.0=32...(45) HD2 LYS 73 + HA LYS 73 OK 80 81 100 99 2.3-4.7 2.9/2963=42, 3009=30...(54) HD3 LYS 73 + HA LYS 73 OK 76 81 95 99 2.1-5.3 2.9/2963=42, 3009=30...(55) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.2-2.6 3.0=100 HG3 ARG 84 - HA ARG 82 far 8 80 10 - 4.0-8.6 HB2 LEU 86 - HA ARG 84 far 4 81 5 - 4.8-8.9 HG2 ARG 84 - HA ARG 82 far 4 80 5 - 2.6-8.8 HB2 LEU 86 - HA LEU 29 far 2 45 5 - 3.6-46.8 HG LEU 86 - HA ARG 84 far 0 100 0 - 5.2-10.5 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 5.3-9.4 HG LEU 86 - HA LEU 29 far 0 63 0 - 5.4-48.9 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 5.6-9.0 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 5.9-26.3 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 6.2-26.3 HG LEU 86 - HA ARG 82 far 0 79 0 - 6.5-16.1 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 6.9-15.7 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 6.9-9.6 HG2 ARG 26 - HA ARG 84 far 0 63 0 - 7.1-42.9 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.3-9.9 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.6-10.1 HD2 LYS 73 - HA ARG 82 far 0 65 0 - 7.9-22.0 HG3 ARG 70 - HA ARG 84 far 0 85 0 - 8.7-30.9 HB3 LEU 62 - HA ARG 82 far 0 79 0 - 8.8-35.3 HD3 LYS 73 - HA ARG 82 far 0 65 0 - 9.2-21.8 HG3 ARG 70 - HA ARG 82 far 0 61 0 - 9.8-26.0 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 26 assignments used, quality = 1.00: HG2 ARG 84 + HA ARG 84 OK 99 100 100 99 2.2-4.0 3.9=68, 3402/3.0=32...(45) * HG3 ARG 84 + HA ARG 84 OK 99 100 100 99 3.0-3.9 3.9=68, 3402/3.0=32...(45) HD2 LYS 73 + HA LYS 73 OK 80 81 100 99 2.3-4.7 2.9/2963=42, 3009=30...(54) HD3 LYS 73 + HA LYS 73 OK 76 81 95 99 2.1-5.3 2.9/2963=42, 3009=30...(55) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.2-2.6 3.0=100 HG3 ARG 84 - HA ARG 82 far 8 80 10 - 4.0-8.6 HB2 LEU 86 - HA ARG 84 far 4 81 5 - 4.8-8.9 HG2 ARG 84 - HA ARG 82 far 4 80 5 - 2.6-8.8 HB2 LEU 86 - HA LEU 29 far 2 45 5 - 3.6-46.8 HG LEU 86 - HA ARG 84 far 0 100 0 - 5.2-10.5 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 5.3-9.4 HG LEU 86 - HA LEU 29 far 0 63 0 - 5.4-48.9 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 5.6-9.0 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 5.9-26.3 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 6.2-26.3 HG LEU 86 - HA ARG 82 far 0 79 0 - 6.5-16.1 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 6.9-15.7 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 6.9-9.6 HG2 ARG 26 - HA ARG 84 far 0 63 0 - 7.1-42.9 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.3-9.9 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.6-10.1 HD2 LYS 73 - HA ARG 82 far 0 65 0 - 7.9-22.0 HG3 ARG 70 - HA ARG 84 far 0 85 0 - 8.7-30.9 HB3 LEU 62 - HA ARG 82 far 0 79 0 - 8.8-35.3 HD3 LYS 73 - HA ARG 82 far 0 65 0 - 9.2-21.8 HG3 ARG 70 - HA ARG 82 far 0 61 0 - 9.8-26.0 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 7 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 29 - HB3 ARG 17 poor 10 49 20 - 6.0-24.1 HA ARG 82 - HB2 ARG 84 lone 7 99 35 20 4.5-9.3 3.6/833=8, 3400/3.0=5...(4) HB THR 15 - HB3 ARG 17 lone 2 62 35 7 4.0-10.4 4.4/1162=4, 5332/4.0=1 HA GLN 79 - HB2 ARG 84 far 0 95 0 - 8.2-17.0 HA ILE 89 - HB2 ARG 84 far 0 92 0 - 9.2-17.5 HA ALA 78 - HB2 ARG 84 far 0 78 0 - 9.4-16.8 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 9 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 85 - HB2 ARG 84 far 0 100 0 - 4.6-7.4 HB2 LYS 83 - HB2 ARG 84 far 0 81 0 - 4.6-7.6 HB3 LYS 32 - HB3 ARG 17 far 0 39 0 - 5.8-28.7 HB2 LYS 32 - HB3 ARG 17 far 0 39 0 - 7.5-27.5 HB2 LYS 13 - HB3 ARG 17 far 0 68 0 - 8.1-15.2 HB3 LYS 39 - HB3 ARG 17 far 0 56 0 - 8.9-25.2 HB ILE 89 - HB2 ARG 84 far 0 81 0 - 8.9-18.5 HB2 PRO 34 - HB3 ARG 17 far 0 51 0 - 9.1-27.8 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 16 assignments used, quality = 1.00: HG3 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.2-3.0 3.0=78, 3402/1.8=32...(29) * HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.3-3.0 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=18...(36) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 96 2.2-3.0 2.9=79, 1.8/1181=18...(36) HB2 LEU 86 - HB2 ARG 84 far 4 81 5 - 3.1-9.0 HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 4.8-24.4 HG2 ARG 26 - HB2 ARG 84 far 0 63 0 - 4.8-42.5 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.1-10.9 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 5.8-29.6 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 6.8-29.7 HD2 LYS 39 - HB3 ARG 17 far 0 71 0 - 6.8-25.4 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 7.0-25.7 HG3 ARG 70 - HB2 ARG 84 far 0 85 0 - 8.3-31.7 HB3 LEU 29 - HB2 ARG 84 far 0 95 0 - 8.7-43.6 HG2 ARG 26 - HB3 ARG 17 far 0 41 0 - 9.1-21.6 HG2 ARG 71 - HB3 ARG 17 far 0 45 0 - 9.5-26.0 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 16 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.2-3.0 3.0=78, 3402/1.8=32...(29) HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.3-3.0 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=18...(36) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 96 2.2-3.0 2.9=79, 1.8/1181=18...(36) HB2 LEU 86 - HB2 ARG 84 far 4 81 5 - 3.1-9.0 HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 4.8-24.4 HG2 ARG 26 - HB2 ARG 84 far 0 63 0 - 4.8-42.5 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.1-10.9 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 5.8-29.6 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 6.8-29.7 HD2 LYS 39 - HB3 ARG 17 far 0 71 0 - 6.8-25.4 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 7.0-25.7 HG3 ARG 70 - HB2 ARG 84 far 0 85 0 - 8.3-31.7 HB3 LEU 29 - HB2 ARG 84 far 0 95 0 - 8.7-43.6 HG2 ARG 26 - HB3 ARG 17 far 0 41 0 - 9.1-21.6 HG2 ARG 71 - HB3 ARG 17 far 0 45 0 - 9.5-26.0 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 10 assignments used, quality = 1.00: * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.7 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.2-4.2 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.4-4.2 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 10 100 10 - 3.9-12.0 HD2 ARG 26 - HB2 ARG 84 far 3 65 5 - 4.4-42.6 HD3 ARG 26 - HB2 ARG 84 far 0 63 0 - 6.0-42.7 HD2 ARG 71 - HB3 ARG 17 far 0 74 0 - 7.2-28.1 HD2 ARG 26 - HB3 ARG 17 far 0 43 0 - 8.2-20.0 HD3 ARG 26 - HB3 ARG 17 far 0 41 0 - 8.6-20.2 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 10 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 2.3-3.7 3.5=100 HD3 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.2-4.2 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.4-4.2 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 10 100 10 - 3.9-12.0 HD2 ARG 26 - HB2 ARG 84 far 4 71 5 - 4.4-42.6 HD3 ARG 26 - HB2 ARG 84 far 0 68 0 - 6.0-42.7 HD2 ARG 71 - HB3 ARG 17 far 0 72 0 - 7.2-28.1 HD2 ARG 26 - HB3 ARG 17 far 0 47 0 - 8.2-20.0 HD3 ARG 26 - HB3 ARG 17 far 0 45 0 - 8.6-20.2 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 13 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 82 - HB3 ARG 84 far 10 99 10 - 5.4-8.9 HA LEU 29 - HB3 LYS 32 poor 7 29 25 - 4.9-7.0 HA LEU 29 - HB2 LYS 32 far 3 29 10 - 5.3-7.2 HB THR 15 - HB3 LYS 32 far 2 38 5 - 4.3-27.8 HB THR 15 - HB2 LYS 32 far 2 38 5 - 5.2-26.4 HA ILE 89 - HB3 LYS 32 far 0 40 0 - 6.5-54.9 HA GLN 79 - HB3 ARG 84 far 0 95 0 - 6.8-15.9 HB THR 15 - HB2 PRO 34 far 0 56 0 - 7.4-27.5 HA ILE 89 - HB2 LYS 32 far 0 40 0 - 7.7-54.3 HA ALA 78 - HB3 ARG 84 far 0 78 0 - 8.0-17.8 HA LEU 29 - HB2 PRO 34 far 0 44 0 - 8.8-11.2 HA ALA 53 - HB2 PRO 34 far 0 49 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (1.73, 1.80, 30.41 ppm; 2.40 A): 1 out of 13 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 85 - HB3 ARG 84 far 0 100 0 - 4.8-6.9 HG3 ARG 26 - HB3 ARG 84 far 0 78 0 - 4.9-42.7 HB3 LYS 83 - HB3 ARG 84 far 0 98 0 - 5.3-7.5 HB3 ARG 17 - HB3 LYS 32 far 0 38 0 - 5.8-28.7 HB2 LEU 29 - HB3 LYS 32 far 0 45 0 - 6.6-9.5 HB2 LEU 29 - HB2 LYS 32 far 0 45 0 - 7.0-9.7 HB3 ARG 17 - HB2 LYS 32 far 0 38 0 - 7.5-27.5 HB3 LEU 64 - HB2 LYS 32 far 0 23 0 - 8.9-12.1 HG2 ARG 70 - HB3 ARG 84 far 0 87 0 - 9.0-34.3 HB3 ARG 17 - HB2 PRO 34 far 0 56 0 - 9.1-27.8 HB2 LEU 29 - HB3 ARG 84 far 0 97 0 - 9.1-44.8 HB3 LEU 64 - HB3 LYS 32 far 0 23 0 - 9.8-12.4 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 26 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=95, 1.8/3394=35...(38) HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3394=35...(38) HD2 LYS 32 + HB3 LYS 32 OK 36 38 100 95 2.0-3.9 3.5=58, ~1558=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 36 38 100 95 2.2-4.1 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB3 LYS 32 OK 34 36 100 95 2.1-3.8 3.5=58, ~1558=12...(48) HD3 LYS 32 + HB2 LYS 32 OK 34 36 100 95 2.3-4.1 3.5=58, ~1558=12...(48) HG LEU 86 - HB3 ARG 84 far 5 100 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 81 0 - 4.6-9.9 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 6.0-10.3 HG2 ARG 26 - HB3 ARG 84 far 0 63 0 - 6.1-44.0 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 6.3-8.6 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 7.1-11.1 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 7.1-9.1 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.6-29.9 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 8.2-30.7 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 8.2-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 85 0 - 8.4-32.8 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.6-29.1 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 9.2-29.4 HG LEU 62 - HB2 PRO 34 far 0 38 0 - 9.7-11.5 HB2 LEU 86 - HB3 LYS 32 far 0 33 0 - 9.9-49.5 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 26 assignments used, quality = 1.00: HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=95, 1.8/3394=35...(38) * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3394=35...(38) HD2 LYS 32 + HB3 LYS 32 OK 36 38 100 95 2.0-3.9 3.5=58, ~1558=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 36 38 100 95 2.2-4.1 3.5=58, ~1558=12...(47) HD3 LYS 32 + HB3 LYS 32 OK 34 36 100 95 2.1-3.8 3.5=58, ~1558=12...(48) HD3 LYS 32 + HB2 LYS 32 OK 34 36 100 95 2.3-4.1 3.5=58, ~1558=12...(48) HG LEU 86 - HB3 ARG 84 far 5 100 5 - 3.6-11.6 HB2 LEU 86 - HB3 ARG 84 far 0 81 0 - 4.6-9.9 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 6.0-10.3 HG2 ARG 26 - HB3 ARG 84 far 0 63 0 - 6.1-44.0 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 6.3-8.6 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 6.7-11.4 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 6.9-12.0 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 7.0-30.4 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 7.1-11.1 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 7.1-9.1 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.6-29.9 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 8.2-30.7 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 8.2-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 8.3-12.1 HG3 ARG 70 - HB3 ARG 84 far 0 85 0 - 8.4-32.8 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.6-29.1 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 9.0-29.3 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 9.2-29.4 HG LEU 62 - HB2 PRO 34 far 0 38 0 - 9.7-11.5 HB2 LEU 86 - HB3 LYS 32 far 0 33 0 - 9.9-49.5 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 12 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.8 3.5=100 HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 ARG 26 - HB3 ARG 84 far 3 65 5 - 5.0-44.2 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 5.4-11.9 HD3 ARG 17 - HB3 LYS 32 far 0 42 0 - 5.6-30.5 HD3 ARG 26 - HB3 ARG 84 far 0 63 0 - 6.7-44.2 HD2 ARG 17 - HB3 LYS 32 far 0 42 0 - 6.9-31.0 HD3 ARG 17 - HB2 LYS 32 far 0 42 0 - 7.2-29.3 HD3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.5-29.4 HD2 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.8-29.8 HD2 ARG 17 - HB2 LYS 32 far 0 42 0 - 8.4-29.8 HD3 ARG 27 - HB2 LYS 32 far 0 32 0 - 9.7-13.3 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 12 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.8 3.5=100 HD2 ARG 26 - HB3 ARG 84 far 4 71 5 - 5.0-44.2 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 5.4-11.9 HD3 ARG 17 - HB3 LYS 32 far 0 44 0 - 5.6-30.5 HD3 ARG 26 - HB3 ARG 84 far 0 68 0 - 6.7-44.2 HD2 ARG 17 - HB3 LYS 32 far 0 44 0 - 6.9-31.0 HD3 ARG 17 - HB2 LYS 32 far 0 44 0 - 7.2-29.3 HD3 ARG 17 - HB2 PRO 34 far 0 64 0 - 7.5-29.4 HD2 ARG 17 - HB2 PRO 34 far 0 64 0 - 7.8-29.8 HD2 ARG 17 - HB2 LYS 32 far 0 44 0 - 8.4-29.8 HD3 ARG 27 - HB2 LYS 32 far 0 34 0 - 9.7-13.3 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 27 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.0-3.9 3.9=100 HA ALA 53 + HG3 ARG 54 OK 57 59 100 98 5.2-6.1 3.6/679=46, ~5949=42...(9) HB THR 15 - HG2 ARG 17 poor 18 46 40 - 3.9-11.0 HA ARG 82 - HG3 ARG 84 poor 18 99 55 33 4.0-8.6 3.6/5896=28, 3376/3.0=4 HA ARG 82 - HG2 ARG 84 poor 18 99 50 36 2.6-8.8 3.6/5896=31, 3376/3.0=4 HA ILE 89 - HG LEU 86 poor 15 60 25 - 4.2-12.9 HA ALA 78 - HG3 ARG 70 far 5 50 10 - 5.7-19.3 HA LEU 29 - HG2 ARG 17 far 4 36 10 - 6.2-26.3 HA ARG 84 - HG LEU 86 far 4 71 5 - 5.2-10.5 HA ALA 53 - HG LEU 62 far 3 27 10 - 5.7-8.7 HA LEU 29 - HG LEU 86 far 2 44 5 - 5.4-48.9 HA LEU 29 - HG3 ARG 17 far 2 34 5 - 5.9-26.3 HB THR 15 - HG3 ARG 17 lone 1 44 50 3 3.1-9.8 HA ARG 82 - HG LEU 86 far 0 67 0 - 6.5-16.1 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 6.9-9.6 HA ARG 84 - HG2 ARG 26 far 0 55 0 - 7.1-42.9 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.6-10.1 HA GLN 79 - HG3 ARG 70 far 0 64 0 - 8.0-18.9 HA GLN 79 - HG3 ARG 84 far 0 95 0 - 8.0-15.7 HA ALA 78 - HG3 ARG 84 far 0 78 0 - 8.5-16.3 HB THR 15 - HG2 ARG 26 far 0 43 0 - 8.7-22.2 HA ARG 84 - HG3 ARG 70 far 0 73 0 - 8.7-30.9 HA ILE 89 - HG2 ARG 26 far 0 45 0 - 8.9-54.8 HA GLN 79 - HG2 ARG 84 far 0 95 0 - 9.5-15.0 HA ALA 78 - HG2 ARG 84 far 0 78 0 - 9.5-17.0 HA ARG 82 - HG3 ARG 70 far 0 70 0 - 9.8-26.0 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 42 assignments used, quality = 1.00: HB2 ARG 84 + HG3 ARG 84 OK 90 100 100 90 2.2-3.0 3.0=59, 3379/1.8=18...(28) * HB2 ARG 84 + HG2 ARG 84 OK 90 100 100 90 2.3-3.0 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 2.2-3.0 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 26 28 100 92 2.4-2.9 3.0=57, 2601/2.1=14...(22) HG3 ARG 71 - HG3 ARG 70 poor 11 44 25 - 2.3-7.7 HB3 LYS 83 - HG3 ARG 84 far 5 98 5 - 3.2-7.3 HB3 LYS 83 - HG2 ARG 84 far 5 98 5 - 3.4-7.1 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 4.1-8.0 HB2 LEU 29 - HG LEU 86 far 0 66 0 - 4.2-50.4 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 4.3-8.3 HB2 ARG 84 - HG2 ARG 26 far 0 55 0 - 4.8-42.5 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-10.9 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.4-7.5 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.5-8.6 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 5.6-24.9 HG3 ARG 26 - HG LEU 86 far 0 48 0 - 5.8-48.9 HG3 ARG 26 - HG2 ARG 84 far 0 78 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 78 0 - 6.2-41.1 HG2 ARG 70 - HG3 ARG 84 far 0 87 0 - 6.3-33.3 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 6.6-25.0 HG2 ARG 70 - HG2 ARG 84 far 0 87 0 - 6.6-32.1 HB3 LYS 83 - HG3 ARG 70 far 0 69 0 - 7.4-27.8 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 7.6-14.6 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 7.8-22.3 HB3 LEU 64 - HG2 ARG 26 far 0 26 0 - 8.1-13.3 HB2 ARG 84 - HG3 ARG 70 far 0 73 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 54 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 72 0 - 8.4-29.8 HB3 LEU 64 - HG3 ARG 70 far 0 37 0 - 9.0-13.4 HG3 ARG 71 - HG2 ARG 26 far 0 32 0 - 9.1-18.5 HB3 ARG 17 - HG2 ARG 26 far 0 43 0 - 9.1-21.6 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.2-12.8 HB2 LEU 62 - HG LEU 86 far 0 52 0 - 9.3-47.1 HG3 ARG 71 - HG3 ARG 84 far 0 71 0 - 9.3-35.7 HG2 ARG 70 - HG LEU 86 far 0 55 0 - 9.4-39.1 HG2 ARG 70 - HG LEU 62 far 0 30 0 - 9.5-14.8 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 9.6-22.7 HG3 ARG 71 - HG2 ARG 84 far 0 71 0 - 9.8-34.7 HB2 LEU 29 - HG2 ARG 84 far 0 97 0 - 10.0-42.9 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 43 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 98 100 100 98 2.2-3.0 3.0=81, 1.8/3380=23...(35) HB3 ARG 84 + HG3 ARG 84 OK 98 100 100 98 2.3-3.0 3.0=81, 1.8/3380=23...(35) HB2 LYS 83 - HG2 ARG 84 far 8 81 10 - 3.6-6.9 HB2 LYS 85 - HG3 ARG 84 far 5 100 5 - 4.2-8.8 HB2 LYS 83 - HG3 ARG 84 far 4 81 5 - 3.1-7.8 HB2 ARG 69 - HG3 ARG 70 far 4 73 5 - 3.3-8.0 HB3 ARG 84 - HG LEU 86 far 4 71 5 - 3.6-11.6 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 4.4-8.5 HB ILE 89 - HG LEU 86 far 0 50 0 - 4.7-14.2 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.0-8.1 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 5.3-8.8 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.7-8.4 HB3 ARG 84 - HG2 ARG 26 far 0 55 0 - 6.1-44.0 HB2 LYS 83 - HG3 ARG 70 far 0 52 0 - 6.4-27.2 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 7.0-13.0 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 7.0-30.4 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.6-29.9 HB2 LYS 13 - HG2 ARG 26 far 0 47 0 - 8.0-28.3 HB ILE 89 - HG3 ARG 84 far 0 81 0 - 8.0-20.0 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 8.2-30.7 HB3 LYS 73 - HG2 ARG 84 far 0 71 0 - 8.2-24.6 HB2 LYS 73 - HG2 ARG 84 far 0 83 0 - 8.2-25.1 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 8.2-11.7 HB2 LYS 85 - HG2 ARG 26 far 0 55 0 - 8.3-43.5 HB2 LYS 85 - HG3 ARG 70 far 0 73 0 - 8.3-30.8 HB3 ARG 84 - HG3 ARG 70 far 0 73 0 - 8.4-32.8 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.6-29.1 HB2 ARG 69 - HG2 ARG 84 far 0 100 0 - 8.6-32.2 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.6-15.9 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 8.7-15.3 HB2 ARG 69 - HG3 ARG 84 far 0 100 0 - 8.8-33.3 HB3 LYS 39 - HG LEU 86 far 0 52 0 - 8.9-41.6 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 8.9-12.5 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 9.0-29.3 HB3 LYS 73 - HG3 ARG 84 far 0 71 0 - 9.0-25.7 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 9.2-29.4 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.3-27.1 HB2 LYS 73 - HG3 ARG 84 far 0 83 0 - 9.3-26.2 HB3 LYS 39 - HG3 ARG 54 far 0 60 0 - 9.4-15.1 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 9.5-14.8 HB2 PRO 34 - HG LEU 62 far 0 25 0 - 9.7-11.5 HB ILE 89 - HG2 ARG 84 far 0 81 0 - 9.8-19.8 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.9-27.3 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 47 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + 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 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 29 29 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 poor 14 70 20 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-11.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 65 0 - 5.6-42.5 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 65 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 55 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 36 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 73 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 47 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 63 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 47 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 63 0 - 7.6-41.9 HD2 ARG 82 - HG LEU 62 far 0 40 0 - 7.6-38.1 HD2 ARG 84 - HG3 ARG 70 far 0 73 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 50 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 39 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 73 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 56 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 37 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 52 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 50 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 54 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 9.1-22.9 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.4-11.3 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 9.4-13.6 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 9.7-22.8 HB2 PHE 48 - HG LEU 62 far 0 25 0 - 9.7-12.8 HD3 ARG 23 - HG3 ARG 70 far 0 57 0 - 9.7-19.6 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 47 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 32 32 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 poor 14 69 20 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 55 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-11.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 71 0 - 5.6-42.5 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 71 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 54 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 39 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 73 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 49 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 68 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 49 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 68 0 - 7.6-41.9 HD2 ARG 82 - HG LEU 62 far 0 40 0 - 7.6-38.1 HD2 ARG 84 - HG3 ARG 70 far 0 73 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 53 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 43 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 73 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 55 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 41 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 51 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 53 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 53 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 9.1-22.9 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.4-11.3 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 9.4-13.6 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 9.7-22.8 HB2 PHE 48 - HG LEU 62 far 0 23 0 - 9.7-12.8 HD3 ARG 23 - HG3 ARG 70 far 0 60 0 - 9.7-19.6 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 27 assignments used, quality = 1.00: HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.0 3.9=100 * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.0-3.9 3.9=100 HA ALA 53 + HG3 ARG 54 OK 57 59 100 98 5.2-6.1 3.6/679=46, ~5949=42...(9) HB THR 15 - HG2 ARG 17 poor 18 46 40 - 3.9-11.0 HA ARG 82 - HG3 ARG 84 poor 18 99 55 33 4.0-8.6 3.6/5896=28, 3376/3.0=4 HA ARG 82 - HG2 ARG 84 poor 18 99 50 36 2.6-8.8 3.6/5896=31, 3376/3.0=4 HA ILE 89 - HG LEU 86 poor 15 60 25 - 4.2-12.9 HA ALA 78 - HG3 ARG 70 far 5 50 10 - 5.7-19.3 HA LEU 29 - HG2 ARG 17 far 4 36 10 - 6.2-26.3 HA ARG 84 - HG LEU 86 far 4 71 5 - 5.2-10.5 HA ALA 53 - HG LEU 62 far 3 27 10 - 5.7-8.7 HA LEU 29 - HG LEU 86 far 2 44 5 - 5.4-48.9 HA LEU 29 - HG3 ARG 17 far 2 34 5 - 5.9-26.3 HB THR 15 - HG3 ARG 17 lone 1 44 50 3 3.1-9.8 HA ARG 82 - HG LEU 86 far 0 67 0 - 6.5-16.1 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 6.9-9.6 HA ARG 84 - HG2 ARG 26 far 0 55 0 - 7.1-42.9 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.6-10.1 HA GLN 79 - HG3 ARG 70 far 0 64 0 - 8.0-18.9 HA GLN 79 - HG3 ARG 84 far 0 95 0 - 8.0-15.7 HA ALA 78 - HG3 ARG 84 far 0 78 0 - 8.5-16.3 HB THR 15 - HG2 ARG 26 far 0 43 0 - 8.7-22.2 HA ARG 84 - HG3 ARG 70 far 0 73 0 - 8.7-30.9 HA ILE 89 - HG2 ARG 26 far 0 45 0 - 8.9-54.8 HA GLN 79 - HG2 ARG 84 far 0 95 0 - 9.5-15.0 HA ALA 78 - HG2 ARG 84 far 0 78 0 - 9.5-17.0 HA ARG 82 - HG3 ARG 70 far 0 70 0 - 9.8-26.0 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 42 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 90 100 100 90 2.2-3.0 3.0=59, 3379/1.8=18...(28) HB2 ARG 84 + HG2 ARG 84 OK 90 100 100 90 2.3-3.0 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 2.2-3.0 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 26 28 100 92 2.4-2.9 3.0=57, 2601/2.1=14...(22) HG3 ARG 71 - HG3 ARG 70 poor 11 44 25 - 2.3-7.7 HB3 LYS 83 - HG3 ARG 84 far 5 98 5 - 3.2-7.3 HB3 LYS 83 - HG2 ARG 84 far 5 98 5 - 3.4-7.1 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 4.1-8.0 HB2 LEU 29 - HG LEU 86 far 0 66 0 - 4.2-50.4 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 4.3-8.3 HB2 ARG 84 - HG2 ARG 26 far 0 55 0 - 4.8-42.5 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-10.9 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.4-7.5 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.5-8.6 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 5.6-24.9 HG3 ARG 26 - HG LEU 86 far 0 48 0 - 5.8-48.9 HG3 ARG 26 - HG2 ARG 84 far 0 78 0 - 6.2-40.5 HG3 ARG 26 - HG3 ARG 84 far 0 78 0 - 6.2-41.1 HG2 ARG 70 - HG3 ARG 84 far 0 87 0 - 6.3-33.3 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 6.6-25.0 HG2 ARG 70 - HG2 ARG 84 far 0 87 0 - 6.6-32.1 HB3 LYS 83 - HG3 ARG 70 far 0 69 0 - 7.4-27.8 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 7.6-14.6 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 7.8-22.3 HB3 LEU 64 - HG2 ARG 26 far 0 26 0 - 8.1-13.3 HB2 ARG 84 - HG3 ARG 70 far 0 73 0 - 8.3-31.7 HB3 LYS 85 - HG2 ARG 26 far 0 54 0 - 8.4-42.8 HB3 LYS 85 - HG3 ARG 70 far 0 72 0 - 8.4-29.8 HB3 LEU 64 - HG3 ARG 70 far 0 37 0 - 9.0-13.4 HG3 ARG 71 - HG2 ARG 26 far 0 32 0 - 9.1-18.5 HB3 ARG 17 - HG2 ARG 26 far 0 43 0 - 9.1-21.6 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.2-12.8 HB2 LEU 62 - HG LEU 86 far 0 52 0 - 9.3-47.1 HG3 ARG 71 - HG3 ARG 84 far 0 71 0 - 9.3-35.7 HG2 ARG 70 - HG LEU 86 far 0 55 0 - 9.4-39.1 HG2 ARG 70 - HG LEU 62 far 0 30 0 - 9.5-14.8 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 9.6-22.7 HG3 ARG 71 - HG2 ARG 84 far 0 71 0 - 9.8-34.7 HB2 LEU 29 - HG2 ARG 84 far 0 97 0 - 10.0-42.9 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 43 assignments used, quality = 1.00: HB3 ARG 84 + HG2 ARG 84 OK 98 100 100 98 2.2-3.0 3.0=81, 1.8/3380=23...(35) * HB3 ARG 84 + HG3 ARG 84 OK 98 100 100 98 2.3-3.0 3.0=81, 1.8/3380=23...(35) HB2 LYS 83 - HG2 ARG 84 far 8 81 10 - 3.6-6.9 HB2 LYS 85 - HG3 ARG 84 far 5 100 5 - 4.2-8.8 HB2 LYS 83 - HG3 ARG 84 far 4 81 5 - 3.1-7.8 HB2 ARG 69 - HG3 ARG 70 far 4 73 5 - 3.3-8.0 HB3 ARG 84 - HG LEU 86 far 4 71 5 - 3.6-11.6 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 4.4-8.5 HB ILE 89 - HG LEU 86 far 0 50 0 - 4.7-14.2 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.0-8.1 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 5.3-8.8 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 5.7-8.4 HB3 ARG 84 - HG2 ARG 26 far 0 55 0 - 6.1-44.0 HB2 LYS 83 - HG3 ARG 70 far 0 52 0 - 6.4-27.2 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 7.0-13.0 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 7.0-30.4 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.6-29.9 HB2 LYS 13 - HG2 ARG 26 far 0 47 0 - 8.0-28.3 HB ILE 89 - HG3 ARG 84 far 0 81 0 - 8.0-20.0 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 8.2-30.7 HB3 LYS 73 - HG2 ARG 84 far 0 71 0 - 8.2-24.6 HB2 LYS 73 - HG2 ARG 84 far 0 83 0 - 8.2-25.1 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 8.2-11.7 HB2 LYS 85 - HG2 ARG 26 far 0 55 0 - 8.3-43.5 HB2 LYS 85 - HG3 ARG 70 far 0 73 0 - 8.3-30.8 HB3 ARG 84 - HG3 ARG 70 far 0 73 0 - 8.4-32.8 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.6-29.1 HB2 ARG 69 - HG2 ARG 84 far 0 100 0 - 8.6-32.2 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.6-15.9 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 8.7-15.3 HB2 ARG 69 - HG3 ARG 84 far 0 100 0 - 8.8-33.3 HB3 LYS 39 - HG LEU 86 far 0 52 0 - 8.9-41.6 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 8.9-12.5 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 9.0-29.3 HB3 LYS 73 - HG3 ARG 84 far 0 71 0 - 9.0-25.7 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 9.2-29.4 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.3-27.1 HB2 LYS 73 - HG3 ARG 84 far 0 83 0 - 9.3-26.2 HB3 LYS 39 - HG3 ARG 54 far 0 60 0 - 9.4-15.1 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 9.5-14.8 HB2 PRO 34 - HG LEU 62 far 0 25 0 - 9.7-11.5 HB ILE 89 - HG2 ARG 84 far 0 81 0 - 9.8-19.8 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.9-27.3 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 47 assignments used, quality = 1.00: * HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + 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 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 29 29 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 poor 14 70 20 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 54 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-11.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 65 0 - 5.6-42.5 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 65 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 55 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 36 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 73 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 47 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 63 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 47 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 63 0 - 7.6-41.9 HD2 ARG 82 - HG LEU 62 far 0 40 0 - 7.6-38.1 HD2 ARG 84 - HG3 ARG 70 far 0 73 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 50 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 39 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 73 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 56 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 37 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 52 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 50 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 54 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 9.1-22.9 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.4-11.3 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 9.4-13.6 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 9.7-22.8 HB2 PHE 48 - HG LEU 62 far 0 25 0 - 9.7-12.8 HD3 ARG 23 - HG3 ARG 70 far 0 57 0 - 9.7-19.6 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 47 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 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 32 32 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD2 ARG 71 - HG3 ARG 70 poor 14 69 20 - 3.9-8.4 HD3 ARG 84 - HG2 ARG 26 far 3 55 5 - 4.5-43.6 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 4.9-11.1 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 5.0-12.4 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 5.1-11.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.3-10.9 HD2 ARG 26 - HG3 ARG 84 far 0 71 0 - 5.6-42.5 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 5.7-10.5 HD2 ARG 26 - HG2 ARG 84 far 0 71 0 - 5.9-42.0 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 5.9-9.8 HD2 ARG 84 - HG2 ARG 26 far 0 54 0 - 6.0-44.1 HD3 ARG 27 - HG2 ARG 26 far 0 39 0 - 6.2-10.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 6.4-11.7 HD3 ARG 84 - HG3 ARG 70 far 0 73 0 - 6.4-32.3 HD2 ARG 17 - HG2 ARG 26 far 0 49 0 - 7.2-23.7 HD3 ARG 26 - HG3 ARG 84 far 0 68 0 - 7.4-42.6 HD3 ARG 17 - HG2 ARG 26 far 0 49 0 - 7.5-23.8 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 7.5-18.1 HD3 ARG 26 - HG2 ARG 84 far 0 68 0 - 7.6-41.9 HD2 ARG 82 - HG LEU 62 far 0 40 0 - 7.6-38.1 HD2 ARG 84 - HG3 ARG 70 far 0 73 0 - 7.9-32.4 HD2 ARG 27 - HG3 ARG 70 far 0 53 0 - 8.0-16.6 HD2 ARG 26 - HG LEU 86 far 0 43 0 - 8.0-50.6 HD2 ARG 82 - HG3 ARG 70 far 0 73 0 - 8.1-27.8 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 8.1-22.2 HD2 ARG 71 - HG2 ARG 17 far 0 55 0 - 8.4-28.9 HD3 ARG 26 - HG LEU 86 far 0 41 0 - 8.4-50.6 HD2 ARG 71 - HG2 ARG 26 far 0 51 0 - 8.7-21.0 HD3 ARG 27 - HG3 ARG 70 far 0 53 0 - 9.0-17.7 HD2 ARG 71 - HG3 ARG 17 far 0 53 0 - 9.0-30.4 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 9.1-22.3 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 9.1-22.9 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.4-11.3 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 9.4-13.6 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 9.7-22.8 HB2 PHE 48 - HG LEU 62 far 0 23 0 - 9.7-12.8 HD3 ARG 23 - HG3 ARG 70 far 0 60 0 - 9.7-19.6 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 63 assignments used, quality = 1.00: * HB2 ARG 84 + HD2 ARG 84 OK 96 100 100 96 2.3-3.7 3.5=63, 1.8/3410=34...(24) HB2 ARG 84 + HD3 ARG 84 OK 96 100 100 96 2.2-4.2 3.5=63, 1.8/3410=34...(24) HB3 ARG 17 + HD3 ARG 17 OK 76 80 100 96 2.2-4.2 3.6=59, 1.8/1160=20...(35) HB3 ARG 17 + HD2 ARG 17 OK 76 80 100 96 2.4-4.2 3.6=59, 1.8/1161=20...(35) HG3 ARG 71 + HD2 ARG 71 OK 68 68 100 100 2.3-3.0 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 LEU 64 - HD2 ARG 27 poor 16 40 40 - 3.0-6.6 HB3 LEU 64 - HD3 ARG 27 poor 12 40 30 - 3.2-7.4 HG2 ARG 70 - HD2 ARG 71 poor 11 84 30 44 2.7-8.3 307/5.8=11, 2869/3.0=11...(11) HB3 LYS 83 - HD2 ARG 82 far 9 95 10 - 4.2-10.3 HB3 LYS 85 - HD2 ARG 84 far 5 100 5 - 3.2-9.0 HB3 LYS 85 - HD3 ARG 84 far 5 100 5 - 4.4-9.3 HB2 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.9-12.0 HG3 ARG 26 - HD3 ARG 84 far 4 78 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 26 far 3 65 5 - 4.4-42.6 HG3 ARG 26 - HD3 ARG 23 far 3 62 5 - 4.3-10.4 HB2 LEU 29 - HD2 ARG 26 far 3 61 5 - 4.1-9.9 HB2 LEU 29 - HD3 ARG 26 far 0 58 0 - 4.7-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 48 0 - 4.7-12.0 HB3 LYS 83 - HD3 ARG 84 far 0 98 0 - 4.8-8.7 HG3 ARG 26 - HD2 ARG 27 far 0 54 0 - 4.9-9.6 HG3 ARG 26 - HD3 ARG 27 far 0 54 0 - 5.0-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.2-10.3 HB3 LYS 83 - HD2 ARG 84 far 0 98 0 - 5.3-8.2 HG3 ARG 26 - HD2 ARG 84 far 0 78 0 - 5.5-42.8 HB2 LEU 29 - HD3 ARG 17 far 0 90 0 - 5.6-24.7 HG3 ARG 71 - HD3 ARG 27 far 0 48 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 63 0 - 6.0-42.7 HB2 LEU 29 - HD3 ARG 27 far 0 73 0 - 6.3-11.6 HG2 ARG 70 - HD3 ARG 84 far 0 87 0 - 6.4-33.9 HB3 LYS 85 - HD2 ARG 71 far 0 99 0 - 6.4-35.9 HB2 LEU 29 - HD2 ARG 17 far 0 90 0 - 6.6-24.8 HB2 LEU 29 - HD2 ARG 27 far 0 73 0 - 6.9-11.0 HG3 ARG 71 - HD3 ARG 23 far 0 55 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 79 0 - 7.1-39.0 HB3 ARG 17 - HD2 ARG 71 far 0 86 0 - 7.2-28.1 HB3 LYS 83 - HD2 ARG 71 far 0 96 0 - 7.3-32.7 HB3 LEU 64 - HD2 ARG 26 far 0 32 0 - 7.5-14.4 HG3 ARG 71 - HD2 ARG 23 far 0 55 0 - 7.7-15.3 HB3 LEU 64 - HD3 ARG 26 far 0 31 0 - 7.9-14.3 HG2 ARG 70 - HD2 ARG 82 far 0 83 0 - 8.0-28.6 HG2 ARG 70 - HD2 ARG 84 far 0 87 0 - 8.0-34.0 HG2 ARG 70 - HD2 ARG 27 far 0 62 0 - 8.1-15.0 HB3 LEU 64 - HD2 ARG 23 far 0 46 0 - 8.1-15.6 HB3 ARG 17 - HD2 ARG 26 far 0 52 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 69 0 - 8.4-22.0 HB2 LEU 29 - HD3 ARG 84 far 0 97 0 - 8.4-44.9 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 8.4-13.7 HG3 ARG 71 - HD2 ARG 82 far 0 67 0 - 8.4-30.9 HG3 ARG 26 - HD2 ARG 71 far 0 76 0 - 8.6-19.7 HB3 ARG 17 - HD3 ARG 26 far 0 50 0 - 8.6-20.2 HG3 ARG 26 - HD3 ARG 17 far 0 69 0 - 8.7-22.2 HB3 LEU 64 - HD2 ARG 71 far 0 58 0 - 8.9-12.0 HB3 LEU 64 - HD3 ARG 23 far 0 46 0 - 9.0-15.3 HB3 LYS 85 - HD3 ARG 27 far 0 77 0 - 9.0-38.4 HG2 ARG 70 - HD3 ARG 27 far 0 62 0 - 9.1-16.2 HB2 LEU 29 - HD2 ARG 23 far 0 82 0 - 9.1-15.3 HB3 LYS 85 - HD2 ARG 26 far 0 65 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 82 0 - 9.5-15.3 HB3 LYS 85 - HD2 ARG 27 far 0 77 0 - 9.7-37.2 HG3 ARG 71 - HD2 ARG 26 far 0 39 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 71 0 - 9.8-36.4 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 49 assignments used, quality = 1.00: * HB3 ARG 84 + HD2 ARG 84 OK 97 100 100 97 2.3-3.8 3.5=64, 3402/2.9=27...(40) HB3 ARG 84 + HD3 ARG 84 OK 97 100 100 97 2.2-3.8 3.5=64, 3402/2.9=27...(40) HB3 LYS 75 - HD2 ARG 71 far 9 89 10 - 3.1-15.5 HB2 LYS 85 - HD2 ARG 84 far 5 100 5 - 3.1-9.6 HB2 LYS 85 - HD3 ARG 84 far 0 100 0 - 4.8-9.2 HB3 ARG 84 - HD2 ARG 26 far 0 65 0 - 5.0-44.2 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 5.0-9.9 HB2 LYS 83 - HD3 ARG 84 far 0 80 0 - 5.0-9.1 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-11.9 HB2 LYS 83 - HD2 ARG 84 far 0 81 0 - 5.5-8.9 HB3 LYS 32 - HD3 ARG 17 far 0 52 0 - 5.6-30.5 HB2 LYS 13 - HD3 ARG 26 far 0 55 0 - 5.8-28.0 HB3 ARG 84 - HD3 ARG 26 far 0 63 0 - 6.7-44.2 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.7-15.2 HB2 ARG 69 - HD2 ARG 82 far 0 98 0 - 6.8-29.2 HB2 LYS 13 - HD2 ARG 26 far 0 57 0 - 6.8-27.5 HB3 LYS 32 - HD2 ARG 17 far 0 52 0 - 6.9-31.0 HB3 LYS 73 - HD2 ARG 82 far 0 67 0 - 6.9-22.1 HB2 LYS 73 - HD2 ARG 82 far 0 79 0 - 7.0-23.6 HB2 LYS 32 - HD3 ARG 17 far 0 52 0 - 7.2-29.3 HB2 ARG 69 - HD3 ARG 84 far 0 100 0 - 7.3-34.1 HB2 PRO 34 - HD3 ARG 17 far 0 67 0 - 7.5-29.4 HB2 PRO 34 - HD2 ARG 17 far 0 67 0 - 7.8-29.8 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.8-11.5 HB2 LYS 73 - HD2 ARG 71 far 0 80 0 - 8.0-11.7 HB2 LYS 85 - HD2 ARG 71 far 0 99 0 - 8.0-37.1 HB ILE 89 - HD2 ARG 84 far 0 81 0 - 8.3-20.3 HB2 ARG 69 - HD2 ARG 71 far 0 99 0 - 8.4-10.8 HB2 LYS 32 - HD2 ARG 17 far 0 52 0 - 8.4-29.8 HB3 LYS 73 - HD3 ARG 84 far 0 71 0 - 8.5-26.5 HB3 LYS 75 - HD3 ARG 23 far 0 75 0 - 8.7-25.5 HB2 LYS 83 - HD2 ARG 71 far 0 78 0 - 8.7-31.0 HB3 LYS 75 - HD2 ARG 23 far 0 75 0 - 8.7-27.1 HB2 ARG 69 - HD2 ARG 84 far 0 100 0 - 8.8-34.2 HB2 LYS 73 - HD3 ARG 84 far 0 83 0 - 8.9-26.7 HB2 LYS 13 - HD2 ARG 17 far 0 86 0 - 9.4-16.8 HB2 LYS 85 - HD3 ARG 27 far 0 78 0 - 9.4-39.7 HB2 ARG 69 - HD2 ARG 27 far 0 78 0 - 9.5-14.2 HB2 ARG 69 - HD3 ARG 27 far 0 78 0 - 9.6-15.6 HB3 LYS 39 - HD3 ARG 17 far 0 74 0 - 9.6-28.0 HB3 LYS 75 - HD2 ARG 27 far 0 66 0 - 9.7-25.1 HB2 LYS 32 - HD3 ARG 27 far 0 40 0 - 9.7-13.3 HB2 LYS 85 - HD2 ARG 26 far 0 65 0 - 9.7-44.1 HB3 LYS 73 - HD2 ARG 84 far 0 71 0 - 9.7-26.7 HB2 LYS 73 - HD3 ARG 17 far 0 74 0 - 9.8-30.9 HB2 LYS 13 - HD3 ARG 17 far 0 86 0 - 9.8-15.6 HB2 LYS 73 - HD2 ARG 84 far 0 83 0 - 9.9-27.8 HB ILE 89 - HD3 ARG 84 far 0 80 0 - 10.0-19.8 HB2 LYS 13 - HD3 ARG 27 far 0 69 0 - 10.0-28.9 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 76 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.2-3.0 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 2.3-3.0 3.0=87, 3.8/2937=22...(21) HG2 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 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...(36) HG3 ARG 17 + HD3 ARG 17 OK 57 60 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 95 2.2-3.0 3.0=90, 3.7/1364=5...(21) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 3.7/1364=5...(21) HG3 ARG 70 - HD2 ARG 71 far 8 82 10 - 3.9-8.4 HB2 LEU 86 - HD2 ARG 84 far 8 81 10 - 3.9-10.7 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 4.4-26.4 HG2 ARG 26 - HD3 ARG 84 far 0 63 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 5.1-11.1 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 5.2-9.6 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 5.3-10.9 HB3 LEU 62 - HD2 ARG 82 far 0 97 0 - 5.4-37.5 HG3 ARG 84 - HD2 ARG 26 far 0 65 0 - 5.6-42.5 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 5.7-10.5 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.7-26.6 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.8-9.3 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 65 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 63 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 42 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 85 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 85 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 55 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 55 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.6-41.9 HG LEU 62 - HD2 ARG 82 far 0 62 0 - 7.6-38.1 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 7.6-15.9 HG2 ARG 71 - HD2 ARG 82 far 0 64 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 85 0 - 7.7-24.0 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 7.7-28.1 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 7.7-32.0 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 7.7-27.7 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 7.8-28.5 HG3 ARG 70 - HD2 ARG 84 far 0 85 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 60 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 64 0 - 8.0-50.6 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 8.0-11.8 HG3 ARG 70 - HD2 ARG 82 far 0 81 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 8.1-22.2 HG2 ARG 17 - HD2 ARG 71 far 0 68 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 62 0 - 8.4-50.6 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.6-11.0 HB2 LEU 86 - HD2 ARG 26 far 0 46 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 60 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 44 0 - 8.7-48.7 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 8.8-28.0 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 60 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 66 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 9.1-22.9 HB3 LEU 29 - HD3 ARG 84 far 0 94 0 - 9.3-45.3 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 9.7-22.8 HD2 LYS 73 - HD3 ARG 84 far 0 88 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.7-13.6 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 76 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 99 100 100 99 2.2-3.0 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 2.3-3.0 3.0=87, 3.8/2937=22...(21) HG2 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 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...(36) HG3 ARG 17 + HD3 ARG 17 OK 57 60 100 96 2.3-3.0 3.0=88, 2.9/1161=13...(36) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 95 2.2-3.0 3.0=90, 3.7/1364=5...(21) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 3.7/1364=5...(21) HG3 ARG 70 - HD2 ARG 71 far 8 82 10 - 3.9-8.4 HB2 LEU 86 - HD2 ARG 84 far 8 81 10 - 3.9-10.7 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 4.4-26.4 HG2 ARG 26 - HD3 ARG 84 far 0 63 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 5.1-11.1 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 5.2-9.6 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 5.3-10.9 HB3 LEU 62 - HD2 ARG 82 far 0 97 0 - 5.4-37.5 HG3 ARG 84 - HD2 ARG 26 far 0 65 0 - 5.6-42.5 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 5.7-10.5 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.7-26.6 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.8-9.3 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 65 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 63 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 42 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 85 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 85 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 55 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 55 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 63 0 - 7.6-41.9 HG LEU 62 - HD2 ARG 82 far 0 62 0 - 7.6-38.1 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 7.6-15.9 HG2 ARG 71 - HD2 ARG 82 far 0 64 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 85 0 - 7.7-24.0 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 7.7-28.1 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 7.7-32.0 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 7.7-27.7 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 7.8-28.5 HG3 ARG 70 - HD2 ARG 84 far 0 85 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 60 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 64 0 - 8.0-50.6 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 8.0-11.8 HG3 ARG 70 - HD2 ARG 82 far 0 81 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 8.1-22.2 HG2 ARG 17 - HD2 ARG 71 far 0 68 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 62 0 - 8.4-50.6 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.6-11.0 HB2 LEU 86 - HD2 ARG 26 far 0 46 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 60 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 44 0 - 8.7-48.7 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 8.8-28.0 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 60 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 66 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 9.1-22.9 HB3 LEU 29 - HD3 ARG 84 far 0 94 0 - 9.3-45.3 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 9.7-22.8 HD2 LYS 73 - HD3 ARG 84 far 0 88 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 68 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.7-13.6 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 63 assignments used, quality = 1.00: HB2 ARG 84 + HD2 ARG 84 OK 96 100 100 96 2.3-3.7 3.5=63, 1.8/3418=34...(24) * HB2 ARG 84 + HD3 ARG 84 OK 96 100 100 96 2.2-4.2 3.5=63, 1.8/3418=34...(24) HB3 ARG 17 + HD3 ARG 17 OK 79 82 100 96 2.2-4.2 3.6=59, 1.8/1160=21...(35) HB3 ARG 17 + HD2 ARG 17 OK 79 82 100 96 2.4-4.2 3.6=59, 1.8/1161=21...(35) HG3 ARG 71 + HD2 ARG 71 OK 67 67 100 100 2.3-3.0 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 LEU 64 - HD2 ARG 27 poor 17 43 40 - 3.0-6.6 HB3 LEU 64 - HD3 ARG 27 poor 13 43 30 - 3.2-7.4 HG2 ARG 70 - HD2 ARG 71 poor 11 83 30 44 2.7-8.3 307/5.8=11, 2869/3.0=11...(11) HB3 LYS 83 - HD2 ARG 82 far 9 95 10 - 4.2-10.3 HB3 LYS 85 - HD2 ARG 84 far 5 100 5 - 3.2-9.0 HB3 LYS 85 - HD3 ARG 84 far 5 100 5 - 4.4-9.3 HB2 ARG 84 - HD2 ARG 82 far 5 98 5 - 3.9-12.0 HG3 ARG 26 - HD3 ARG 84 far 4 78 5 - 3.8-42.3 HB2 ARG 84 - HD2 ARG 26 far 4 71 5 - 4.4-42.6 HB2 LEU 29 - HD2 ARG 26 far 3 66 5 - 4.1-9.9 HG3 ARG 26 - HD3 ARG 23 far 3 65 5 - 4.3-10.4 HB2 LEU 29 - HD3 ARG 26 far 0 63 0 - 4.7-9.0 HG3 ARG 71 - HD2 ARG 27 far 0 52 0 - 4.7-12.0 HB3 LYS 83 - HD3 ARG 84 far 0 98 0 - 4.8-8.7 HG3 ARG 26 - HD2 ARG 27 far 0 58 0 - 4.9-9.6 HG3 ARG 26 - HD3 ARG 27 far 0 58 0 - 5.0-10.3 HG3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.2-10.3 HB3 LYS 83 - HD2 ARG 84 far 0 98 0 - 5.3-8.2 HG3 ARG 26 - HD2 ARG 84 far 0 78 0 - 5.5-42.8 HB2 LEU 29 - HD3 ARG 17 far 0 92 0 - 5.6-24.7 HG3 ARG 71 - HD3 ARG 27 far 0 52 0 - 5.9-12.9 HB2 ARG 84 - HD3 ARG 26 far 0 68 0 - 6.0-42.7 HB2 LEU 29 - HD3 ARG 27 far 0 77 0 - 6.3-11.6 HG2 ARG 70 - HD3 ARG 84 far 0 87 0 - 6.4-33.9 HB3 LYS 85 - HD2 ARG 71 far 0 98 0 - 6.4-35.9 HB2 LEU 29 - HD2 ARG 17 far 0 92 0 - 6.6-24.8 HB2 LEU 29 - HD2 ARG 27 far 0 77 0 - 6.9-11.0 HG3 ARG 71 - HD3 ARG 23 far 0 58 0 - 7.1-15.0 HB2 LEU 62 - HD2 ARG 82 far 0 79 0 - 7.1-39.0 HB3 ARG 17 - HD2 ARG 71 far 0 84 0 - 7.2-28.1 HB3 LYS 83 - HD2 ARG 71 far 0 95 0 - 7.3-32.7 HB3 LEU 64 - HD2 ARG 26 far 0 35 0 - 7.5-14.4 HG3 ARG 71 - HD2 ARG 23 far 0 58 0 - 7.7-15.3 HB3 LEU 64 - HD3 ARG 26 far 0 34 0 - 7.9-14.3 HG2 ARG 70 - HD2 ARG 82 far 0 83 0 - 8.0-28.6 HG2 ARG 70 - HD2 ARG 84 far 0 87 0 - 8.0-34.0 HG2 ARG 70 - HD2 ARG 27 far 0 66 0 - 8.1-15.0 HB3 LEU 64 - HD2 ARG 23 far 0 49 0 - 8.1-15.6 HB3 ARG 17 - HD2 ARG 26 far 0 57 0 - 8.2-20.0 HG3 ARG 26 - HD2 ARG 17 far 0 72 0 - 8.4-22.0 HB2 LEU 29 - HD3 ARG 84 far 0 97 0 - 8.4-44.9 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 8.4-13.7 HG3 ARG 71 - HD2 ARG 82 far 0 67 0 - 8.4-30.9 HG3 ARG 26 - HD2 ARG 71 far 0 74 0 - 8.6-19.7 HB3 ARG 17 - HD3 ARG 26 far 0 54 0 - 8.6-20.2 HG3 ARG 26 - HD3 ARG 17 far 0 72 0 - 8.7-22.2 HB3 LEU 64 - HD2 ARG 71 far 0 56 0 - 8.9-12.0 HB3 LEU 64 - HD3 ARG 23 far 0 49 0 - 9.0-15.3 HB3 LYS 85 - HD3 ARG 27 far 0 82 0 - 9.0-38.4 HG2 ARG 70 - HD3 ARG 27 far 0 66 0 - 9.1-16.2 HB2 LEU 29 - HD2 ARG 23 far 0 85 0 - 9.1-15.3 HB3 LYS 85 - HD2 ARG 26 far 0 70 0 - 9.5-44.4 HB2 LEU 29 - HD3 ARG 23 far 0 85 0 - 9.5-15.3 HB3 LYS 85 - HD2 ARG 27 far 0 82 0 - 9.7-37.2 HG3 ARG 71 - HD2 ARG 26 far 0 43 0 - 9.7-19.0 HG3 ARG 71 - HD3 ARG 84 far 0 71 0 - 9.8-36.4 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 49 assignments used, quality = 1.00: HB3 ARG 84 + HD2 ARG 84 OK 97 100 100 97 2.3-3.8 3.5=64, 3402/2.9=27...(40) * HB3 ARG 84 + HD3 ARG 84 OK 97 100 100 97 2.2-3.8 3.5=64, 3402/2.9=27...(40) HB3 LYS 75 - HD2 ARG 71 far 9 88 10 - 3.1-15.5 HB2 LYS 85 - HD2 ARG 84 far 5 100 5 - 3.1-9.6 HB2 LYS 85 - HD3 ARG 84 far 0 100 0 - 4.8-9.2 HB3 ARG 84 - HD2 ARG 26 far 0 71 0 - 5.0-44.2 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 5.0-9.9 HB2 LYS 83 - HD3 ARG 84 far 0 81 0 - 5.0-9.1 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-11.9 HB2 LYS 83 - HD2 ARG 84 far 0 80 0 - 5.5-8.9 HB3 LYS 32 - HD3 ARG 17 far 0 54 0 - 5.6-30.5 HB2 LYS 13 - HD3 ARG 26 far 0 60 0 - 5.8-28.0 HB3 ARG 84 - HD3 ARG 26 far 0 68 0 - 6.7-44.2 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.7-15.2 HB2 ARG 69 - HD2 ARG 82 far 0 98 0 - 6.8-29.2 HB2 LYS 13 - HD2 ARG 26 far 0 62 0 - 6.8-27.5 HB3 LYS 32 - HD2 ARG 17 far 0 54 0 - 6.9-31.0 HB3 LYS 73 - HD2 ARG 82 far 0 67 0 - 6.9-22.1 HB2 LYS 73 - HD2 ARG 82 far 0 79 0 - 7.0-23.6 HB2 LYS 32 - HD3 ARG 17 far 0 54 0 - 7.2-29.3 HB2 ARG 69 - HD3 ARG 84 far 0 100 0 - 7.3-34.1 HB2 PRO 34 - HD3 ARG 17 far 0 70 0 - 7.5-29.4 HB2 PRO 34 - HD2 ARG 17 far 0 70 0 - 7.8-29.8 HB3 LYS 73 - HD2 ARG 71 far 0 67 0 - 7.8-11.5 HB2 LYS 73 - HD2 ARG 71 far 0 78 0 - 8.0-11.7 HB2 LYS 85 - HD2 ARG 71 far 0 98 0 - 8.0-37.1 HB ILE 89 - HD2 ARG 84 far 0 80 0 - 8.3-20.3 HB2 ARG 69 - HD2 ARG 71 far 0 98 0 - 8.4-10.8 HB2 LYS 32 - HD2 ARG 17 far 0 54 0 - 8.4-29.8 HB3 LYS 73 - HD3 ARG 84 far 0 71 0 - 8.5-26.5 HB3 LYS 75 - HD3 ARG 23 far 0 78 0 - 8.7-25.5 HB2 LYS 83 - HD2 ARG 71 far 0 76 0 - 8.7-31.0 HB3 LYS 75 - HD2 ARG 23 far 0 78 0 - 8.7-27.1 HB2 ARG 69 - HD2 ARG 84 far 0 100 0 - 8.8-34.2 HB2 LYS 73 - HD3 ARG 84 far 0 83 0 - 8.9-26.7 HB2 LYS 13 - HD2 ARG 17 far 0 89 0 - 9.4-16.8 HB2 LYS 85 - HD3 ARG 27 far 0 83 0 - 9.4-39.7 HB2 ARG 69 - HD2 ARG 27 far 0 83 0 - 9.5-14.2 HB2 ARG 69 - HD3 ARG 27 far 0 83 0 - 9.6-15.6 HB3 LYS 39 - HD3 ARG 17 far 0 76 0 - 9.6-28.0 HB3 LYS 75 - HD2 ARG 27 far 0 71 0 - 9.7-25.1 HB2 LYS 32 - HD3 ARG 27 far 0 43 0 - 9.7-13.3 HB2 LYS 85 - HD2 ARG 26 far 0 71 0 - 9.7-44.1 HB3 LYS 73 - HD2 ARG 84 far 0 71 0 - 9.7-26.7 HB2 LYS 73 - HD3 ARG 17 far 0 76 0 - 9.8-30.9 HB2 LYS 13 - HD3 ARG 17 far 0 89 0 - 9.8-15.6 HB2 LYS 73 - HD2 ARG 84 far 0 83 0 - 9.9-27.8 HB ILE 89 - HD3 ARG 84 far 0 81 0 - 10.0-19.8 HB2 LYS 13 - HD3 ARG 27 far 0 74 0 - 10.0-28.9 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 76 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 2.2-3.0 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 + HD2 ARG 17 OK 62 65 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 60 64 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(21) HG3 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.2-3.0 3.0=90, 3.7/1364=5...(21) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 3.7/1364=5...(21) HG3 ARG 70 - HD2 ARG 71 far 8 81 10 - 3.9-8.4 HB2 LEU 86 - HD2 ARG 84 far 8 80 10 - 3.9-10.7 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 4.4-26.4 HG2 ARG 26 - HD3 ARG 84 far 0 63 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 5.1-11.1 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 5.2-9.6 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 5.3-10.9 HB3 LEU 62 - HD2 ARG 82 far 0 97 0 - 5.4-37.5 HG3 ARG 84 - HD2 ARG 26 far 0 71 0 - 5.6-42.5 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 5.7-10.5 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.7-26.6 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.8-9.3 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 71 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 63 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 45 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 85 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 85 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 57 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 68 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 57 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 68 0 - 7.6-41.9 HG LEU 62 - HD2 ARG 82 far 0 62 0 - 7.6-38.1 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 7.6-15.9 HG2 ARG 71 - HD2 ARG 82 far 0 64 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 85 0 - 7.7-24.0 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 7.7-28.1 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.7-32.0 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 7.7-27.7 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 7.8-28.5 HG3 ARG 70 - HD2 ARG 84 far 0 85 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 64 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 70 0 - 8.0-50.6 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 8.0-11.8 HG3 ARG 70 - HD2 ARG 82 far 0 81 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 8.1-22.2 HG2 ARG 17 - HD2 ARG 71 far 0 67 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 67 0 - 8.4-50.6 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.6-11.0 HB2 LEU 86 - HD2 ARG 26 far 0 50 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 59 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 48 0 - 8.7-48.7 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 8.8-28.0 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 64 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 64 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 9.1-22.9 HB3 LEU 29 - HD3 ARG 84 far 0 95 0 - 9.3-45.3 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 9.7-22.8 HD2 LYS 73 - HD3 ARG 84 far 0 89 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 71 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.7-13.6 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 76 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 2.2-3.0 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 + HD2 ARG 17 OK 62 65 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) 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 71 + HD2 ARG 71 OK 60 64 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(21) HG3 ARG 17 + HD2 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG3 ARG 17 + HD3 ARG 17 OK 60 62 100 96 2.3-3.0 3.0=88, 2.9/1161=14...(36) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.2-3.0 3.0=90, 3.7/1364=5...(21) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 3.7/1364=5...(21) HG3 ARG 70 - HD2 ARG 71 far 8 81 10 - 3.9-8.4 HB2 LEU 86 - HD2 ARG 84 far 8 80 10 - 3.9-10.7 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 4.4-26.4 HG2 ARG 26 - HD3 ARG 84 far 0 63 0 - 4.5-43.6 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.9-11.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.0-12.4 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 5.1-11.1 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 5.2-9.6 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 5.2-10.8 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 5.3-10.9 HB3 LEU 62 - HD2 ARG 82 far 0 97 0 - 5.4-37.5 HG3 ARG 84 - HD2 ARG 26 far 0 71 0 - 5.6-42.5 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 5.7-10.5 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.7-26.6 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.8-9.3 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 5.8-16.1 HG2 ARG 84 - HD2 ARG 26 far 0 71 0 - 5.9-42.0 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 5.9-9.8 HG2 ARG 26 - HD2 ARG 84 far 0 63 0 - 6.0-44.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.2-31.6 HG2 ARG 26 - HD3 ARG 27 far 0 45 0 - 6.2-10.5 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 6.2-12.6 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 6.4-11.7 HG3 ARG 70 - HD3 ARG 84 far 0 85 0 - 6.4-32.3 HD2 LYS 73 - HD2 ARG 82 far 0 85 0 - 6.6-23.7 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 7.1-16.9 HG2 ARG 26 - HD2 ARG 17 far 0 57 0 - 7.2-23.7 HG3 ARG 84 - HD3 ARG 26 far 0 68 0 - 7.4-42.6 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 7.4-13.8 HG2 ARG 26 - HD3 ARG 17 far 0 57 0 - 7.5-23.8 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 7.5-18.1 HG2 ARG 84 - HD3 ARG 26 far 0 68 0 - 7.6-41.9 HG LEU 62 - HD2 ARG 82 far 0 62 0 - 7.6-38.1 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 7.6-15.9 HG2 ARG 71 - HD2 ARG 82 far 0 64 0 - 7.6-29.6 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 7.6-31.7 HD3 LYS 73 - HD2 ARG 82 far 0 85 0 - 7.7-24.0 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 7.7-28.1 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 7.7-32.0 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 7.7-27.7 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 7.8-28.5 HG3 ARG 70 - HD2 ARG 84 far 0 85 0 - 7.9-32.4 HG3 ARG 70 - HD2 ARG 27 far 0 64 0 - 8.0-16.6 HG LEU 86 - HD2 ARG 26 far 0 70 0 - 8.0-50.6 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 8.0-11.8 HG3 ARG 70 - HD2 ARG 82 far 0 81 0 - 8.1-27.8 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 8.1-22.2 HG2 ARG 17 - HD2 ARG 71 far 0 67 0 - 8.4-28.9 HG LEU 86 - HD3 ARG 26 far 0 67 0 - 8.4-50.6 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.6-11.0 HB2 LEU 86 - HD2 ARG 26 far 0 50 0 - 8.6-48.6 HG2 ARG 26 - HD2 ARG 71 far 0 59 0 - 8.7-21.0 HB2 LEU 86 - HD3 ARG 26 far 0 48 0 - 8.7-48.7 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 8.8-28.0 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 8.9-32.1 HG3 ARG 70 - HD3 ARG 27 far 0 64 0 - 9.0-17.7 HG3 ARG 17 - HD2 ARG 71 far 0 64 0 - 9.0-30.4 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 9.1-22.3 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 9.1-22.9 HB3 LEU 29 - HD3 ARG 84 far 0 95 0 - 9.3-45.3 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.6-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 9.7-22.8 HD2 LYS 73 - HD3 ARG 84 far 0 89 0 - 9.7-26.8 HG3 ARG 70 - HD3 ARG 23 far 0 71 0 - 9.7-19.6 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.7-13.6 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 7 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 poor 17 73 40 58 4.4-6.5 377/4.7=47, 3443/3.0=15...(5) H ARG 26 - HA GLU 19 far 0 30 0 - 6.3-13.7 H ARG 26 - HA LYS 85 far 0 68 0 - 6.5-41.5 H THR 88 - HA LYS 85 far 0 68 0 - 7.3-9.6 H LYS 75 - HA GLU 19 far 0 46 0 - 8.7-28.0 H ARG 71 - HA LYS 85 far 0 100 0 - 9.2-34.2 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): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 85 + HA LYS 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 83 + HA LYS 83 OK 52 52 100 100 2.4-3.0 3.0=100 HB3 ARG 84 + HA LYS 85 OK 37 100 65 57 4.1-6.1 379/2.9=16, ~377=13...(8) HB3 ARG 84 - HA LYS 83 poor 18 73 25 - 4.4-6.6 HB2 LYS 85 - HA LYS 83 far 4 73 5 - 4.7-9.4 HB2 LYS 83 - HA LYS 85 far 0 81 0 - 5.8-8.9 HB3 LYS 73 - HA LYS 83 far 0 44 0 - 7.6-22.5 HB2 LYS 73 - HA LYS 83 far 0 54 0 - 7.7-23.2 HB3 LYS 39 - HA GLU 19 far 0 38 0 - 8.5-22.3 HB3 LYS 75 - HA GLU 19 far 0 44 0 - 8.8-30.1 HB2 LYS 13 - HA GLU 19 far 0 47 0 - 9.1-20.3 HB ILE 89 - HA LYS 85 far 0 81 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (1.72, 4.23, 56.47 ppm; 3.63 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LYS 85 + HA LYS 85 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 83 + HA LYS 83 OK 72 72 100 100 2.5-3.0 3.0=100 HB2 ARG 84 + HA LYS 85 OK 46 100 70 67 4.2-5.8 378/2.9=26, ~377=17...(9) HB2 ARG 82 - HA LYS 83 poor 18 39 95 49 4.2-5.2 833/2.9=19, ~361=16...(8) HB2 ARG 84 - HA LYS 83 poor 17 72 50 47 4.3-6.1 842/3.6=21, ~5896=10...(9) HB3 LYS 83 - HA LYS 85 far 5 100 5 - 4.9-8.6 HG3 ARG 26 - HA GLU 19 far 1 30 5 - 4.3-15.4 HB3 ARG 17 - HA GLU 19 far 0 37 0 - 5.2-8.6 HB3 LYS 85 - HA LYS 83 far 0 73 0 - 5.3-8.9 HB2 ARG 82 - HA LYS 85 far 0 63 0 - 5.3-11.1 HB2 LEU 29 - HA GLU 19 far 0 52 0 - 5.6-18.7 HG3 ARG 26 - HA LYS 85 far 0 68 0 - 5.8-42.9 HB2 LEU 29 - HA LYS 85 far 0 99 0 - 6.8-44.3 HG2 ARG 70 - HA LYS 85 far 0 93 0 - 7.1-33.7 HG3 ARG 71 - HA LYS 85 far 0 60 0 - 8.8-36.9 HG2 ARG 70 - HA LYS 83 far 0 63 0 - 8.9-28.7 HG3 ARG 26 - HA LYS 83 far 0 43 0 - 9.2-37.4 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 14 assignments used, quality = 0.98: * HG2 LYS 85 + HA LYS 85 OK 93 100 100 93 2.1-4.2 3.8=78, 4.7/385=35...(9) HG2 LYS 83 + HA LYS 83 OK 62 69 100 89 2.2-3.8 3.7=84, ~832=11, ~833=11...(5) QB ALA 20 + HA GLU 19 OK 40 54 95 78 3.8-5.0 4.5=47, 2.9/27=18...(10) QB ALA 16 - HA GLU 19 far 6 41 15 - 3.9-9.7 QB ALA 78 - HA LYS 83 far 3 68 5 - 4.2-11.1 QB ALA 78 - HA GLU 19 far 2 49 5 - 4.6-29.4 HG2 LYS 85 - HA LYS 83 far 0 73 0 - 5.1-10.1 HG2 LYS 83 - HA LYS 85 far 0 98 0 - 5.9-9.0 HG3 LYS 75 - HA GLU 19 far 0 48 0 - 6.7-30.5 QB ALA 78 - HA LYS 85 far 0 97 0 - 6.8-16.6 HG2 LYS 75 - HA GLU 19 far 0 48 0 - 6.9-29.4 QB ALA 77 - HA GLU 19 far 0 54 0 - 7.5-27.5 QB ALA 77 - HA LYS 83 far 0 73 0 - 7.7-14.3 HG3 LYS 73 - HA LYS 83 far 0 68 0 - 8.5-24.5 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (1.45, 4.23, 56.47 ppm; 4.55 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 85 + HA LYS 85 OK 100 100 100 100 2.2-3.9 3.8=100 HG3 LYS 85 - HA LYS 83 far 4 73 5 - 4.9-10.1 HG2 LYS 73 - HA LYS 83 far 0 44 0 - 7.4-25.3 HG13 ILE 89 - HA LYS 85 far 0 93 0 - 7.6-15.8 QB ALA 30 - HA GLU 19 far 0 51 0 - 8.4-16.1 HG3 LYS 13 - HA GLU 19 far 0 53 0 - 9.3-20.4 HG12 ILE 33 - HA GLU 19 far 0 50 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (8.11, 1.80, 32.58 ppm; 4.08 A): 4 out of 14 assignments used, quality = 1.00: * H LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.6-4.1 4.0=100 H LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.1-4.1 4.0=100 H LYS 75 + HB2 LYS 73 OK 47 68 85 82 3.9-7.9 4.6/324=25, 5849/2.9=24...(13) H LYS 75 + HB3 LYS 73 OK 41 57 85 85 2.2-6.9 803/1.8=26, 5849/2.9=24...(13) H ARG 71 - HB2 LYS 73 poor 19 78 25 - 5.2-7.7 H ARG 71 - HB3 LYS 73 poor 16 66 40 60 4.3-7.5 3.6/5984=20, 942/4.0=17...(9) H LYS 85 - HB2 LYS 83 far 4 81 5 - 3.5-8.3 H ARG 71 - HB3 LYS 75 far 0 92 0 - 5.8-12.6 H THR 88 - HB2 LYS 85 far 0 68 0 - 6.3-10.7 H ARG 26 - HB3 LYS 75 far 0 57 0 - 8.1-25.8 H ARG 26 - HB2 LYS 13 far 0 51 0 - 8.5-27.6 H ARG 26 - HB2 LYS 85 far 0 68 0 - 8.8-41.2 H ARG 71 - HB2 LYS 83 far 0 80 0 - 8.9-27.4 H LYS 75 - HB2 LYS 83 far 0 70 0 - 9.8-22.2 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 32 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 2.4-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 53 53 100 100 2.2-3.0 3.0=100 HA THR 15 - HB2 LYS 13 far 3 69 5 - 3.8-7.4 HA ALA 77 - HB3 LYS 73 far 3 65 5 - 4.6-14.5 HA THR 15 - HB3 LYS 39 far 3 60 5 - 4.4-29.3 HA ALA 78 - HB2 LYS 73 far 3 52 5 - 4.4-16.5 HA ALA 12 - HB2 LYS 13 far 2 44 5 - 4.5-6.0 HA LYS 83 - HB2 LYS 85 far 0 93 0 - 4.7-9.4 HA LYS 75 - HB3 LYS 73 far 0 55 0 - 4.9-8.1 HA ALA 77 - HB2 LYS 73 far 0 77 0 - 5.2-15.6 HA ALA 77 - HB3 LYS 75 far 0 91 0 - 5.8-8.9 HA LYS 85 - HB2 LYS 83 far 0 81 0 - 5.8-8.9 HA LYS 39 - HB2 LYS 13 far 0 61 0 - 5.9-31.7 HA ALA 78 - HB3 LYS 73 far 0 43 0 - 6.2-15.2 HB THR 37 - HB2 LYS 73 far 0 76 0 - 6.2-13.5 HA LYS 75 - HB2 LYS 73 far 0 66 0 - 6.5-8.8 HB THR 37 - HB3 LYS 39 far 0 73 0 - 6.8-9.3 HB THR 37 - HB3 LYS 75 far 0 90 0 - 6.9-19.1 HB THR 37 - HB3 LYS 73 far 0 64 0 - 7.0-12.7 HA ALA 78 - HB2 LYS 83 far 0 54 0 - 7.0-13.2 HA ALA 77 - HB2 LYS 83 far 0 80 0 - 7.2-17.1 HA LYS 83 - HB3 LYS 73 far 0 57 0 - 7.6-22.5 HA LYS 83 - HB2 LYS 73 far 0 68 0 - 7.7-23.2 HA ALA 78 - HB3 LYS 75 far 0 64 0 - 8.2-12.5 HA GLU 19 - HB3 LYS 39 far 0 40 0 - 8.5-22.3 HA GLU 19 - HB3 LYS 75 far 0 52 0 - 8.8-30.1 HB THR 37 - HB2 LYS 85 far 0 99 0 - 8.9-37.3 HA GLU 19 - HB2 LYS 13 far 0 46 0 - 9.1-20.3 HA LYS 39 - HB2 LYS 73 far 0 56 0 - 9.2-14.2 HA ALA 12 - HB3 LYS 39 far 0 38 0 - 9.7-37.1 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 33 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 LEU 43 - HB3 LYS 39 far 0 75 0 - 4.1-6.5 HB2 ARG 84 - HB2 LYS 85 far 0 100 0 - 4.6-7.4 HB2 ARG 84 - HB2 LYS 83 far 0 80 0 - 4.6-7.6 HB2 LEU 29 - HB2 LYS 13 far 0 82 0 - 4.7-28.0 HG3 ARG 71 - HB3 LYS 75 far 0 50 0 - 4.8-14.5 HB2 ARG 82 - HB2 LYS 83 far 0 44 0 - 4.9-6.6 HB3 LYS 83 - HB2 LYS 85 far 0 100 0 - 4.9-10.1 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 5.4-8.0 HB3 LYS 85 - HB2 LYS 83 far 0 81 0 - 5.6-9.3 HG2 ARG 70 - HB2 LYS 73 far 0 68 0 - 6.2-9.3 HB3 LYS 83 - HB3 LYS 73 far 0 65 0 - 6.3-24.4 HG3 ARG 71 - HB3 LYS 73 far 0 33 0 - 6.4-10.3 HG3 ARG 26 - HB2 LYS 13 far 0 51 0 - 6.6-27.8 HG2 ARG 70 - HB3 LYS 75 far 0 82 0 - 7.0-13.6 HB3 LYS 83 - HB2 LYS 73 far 0 77 0 - 7.0-24.7 HB2 LEU 43 - HB2 LYS 13 far 0 84 0 - 7.4-33.0 HB2 LEU 43 - HB2 LYS 73 far 0 78 0 - 7.4-13.5 HG3 ARG 71 - HB2 LYS 73 far 0 40 0 - 7.4-10.3 HB2 ARG 82 - HB2 LYS 73 far 0 42 0 - 7.8-22.2 HB2 ARG 82 - HB2 LYS 85 far 0 63 0 - 7.8-12.7 HB2 LEU 29 - HB2 LYS 85 far 0 99 0 - 7.9-44.0 HG2 ARG 70 - HB2 LYS 83 far 0 70 0 - 8.0-27.2 HG3 ARG 26 - HB2 LYS 85 far 0 68 0 - 8.0-43.0 HB2 ARG 82 - HB3 LYS 73 far 0 34 0 - 8.0-21.7 HB3 ARG 17 - HB2 LYS 13 far 0 61 0 - 8.1-15.2 HB2 LEU 43 - HB3 LYS 73 far 0 66 0 - 8.5-12.5 HB3 ARG 17 - HB3 LYS 39 far 0 53 0 - 8.9-25.2 HG2 ARG 70 - HB2 LYS 85 far 0 93 0 - 9.2-32.3 HG3 ARG 71 - HB2 LYS 85 far 0 60 0 - 9.4-35.9 HG3 ARG 26 - HB3 LYS 75 far 0 57 0 - 9.6-27.3 HG3 ARG 66 - HB3 LYS 73 far 0 36 0 - 9.7-14.2 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 47 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 2.2-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 42 42 100 100 2.4-3.0 2.9=100 HB3 ARG 69 - HB2 LYS 73 poor 16 63 25 - 4.1-9.9 HG3 ARG 69 - HB2 LYS 73 poor 14 78 35 52 2.7-8.5 2818=9, 2818/1.8=8...(15) HG3 ARG 69 - HB3 LYS 73 poor 13 66 20 - 3.4-6.8 HG3 LYS 73 - HB3 LYS 75 poor 8 87 35 27 2.6-9.2 5892/4.0=4, 5258/4346=3...(10) HG2 LYS 83 - HB2 LYS 85 far 5 98 5 - 4.5-10.5 QB ALA 78 - HB2 LYS 83 far 4 75 5 - 4.5-12.0 QB ALA 78 - HB2 LYS 73 far 4 73 5 - 4.0-15.3 HG2 LYS 75 - HB2 LYS 73 far 4 70 5 - 4.3-11.0 QB ALA 16 - HB2 LYS 13 far 3 67 5 - 2.0-9.3 HG3 LYS 75 - HB3 LYS 73 far 3 59 5 - 3.6-9.6 HG2 LYS 75 - HB3 LYS 73 far 3 59 5 - 3.7-9.7 HB3 ARG 69 - HB3 LYS 73 far 3 53 5 - 3.4-8.2 QB ALA 77 - HB2 LYS 73 far 0 78 0 - 4.7-14.3 HG3 LYS 75 - HB2 LYS 73 far 0 70 0 - 4.8-9.5 QB ALA 20 - HB3 LYS 75 far 0 92 0 - 4.9-25.0 QB ALA 77 - HB3 LYS 73 far 0 66 0 - 5.1-13.4 QB ALA 77 - HB3 LYS 75 far 0 92 0 - 5.2-7.7 QB ALA 78 - HB3 LYS 75 far 0 87 0 - 5.3-11.0 HG3 LYS 39 - HB2 LYS 13 far 0 48 0 - 5.3-31.2 QB ALA 78 - HB3 LYS 73 far 0 61 0 - 5.3-14.3 QB ALA 77 - HB2 LYS 83 far 0 80 0 - 5.4-15.4 QB ALA 16 - HB3 LYS 39 far 0 59 0 - 5.8-20.5 HB3 ARG 69 - HB3 LYS 75 far 0 77 0 - 6.2-14.1 HG2 LYS 83 - HB2 LYS 73 far 0 74 0 - 6.5-25.8 HG3 ARG 69 - HB3 LYS 75 far 0 92 0 - 6.6-13.5 HG2 LYS 85 - HB2 LYS 83 far 0 81 0 - 6.7-11.5 HG3 LYS 73 - HB2 LYS 83 far 0 75 0 - 6.7-25.1 HG2 LYS 83 - HB3 LYS 73 far 0 62 0 - 7.2-26.0 QB ALA 78 - HB2 LYS 85 far 0 97 0 - 7.9-16.8 QB ALA 16 - HB2 LYS 73 far 0 61 0 - 8.3-24.9 HB3 ARG 69 - HB3 LYS 39 far 0 60 0 - 8.4-12.5 QB ALA 20 - HB3 LYS 39 far 0 75 0 - 8.6-17.3 HG3 ARG 69 - HB3 LYS 39 far 0 75 0 - 8.6-13.4 QB ALA 20 - HB2 LYS 13 far 0 84 0 - 8.7-20.9 QB ALA 16 - HB3 LYS 73 far 0 51 0 - 8.8-24.2 QB ALA 20 - HB3 LYS 73 far 0 66 0 - 8.8-20.1 HG3 ARG 69 - HB2 LYS 83 far 0 80 0 - 9.1-28.7 QB ALA 20 - HB2 LYS 73 far 0 78 0 - 9.6-18.9 QB ALA 78 - HB3 LYS 39 far 0 70 0 - 9.9-22.3 QB ALA 53 - HB3 LYS 39 far 0 63 0 - 9.9-14.0 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 17 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 84 84 100 100 2.3-3.0 3.0=100 HG2 LYS 73 + HB2 LYS 73 OK 48 48 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 40 40 100 100 2.3-3.0 2.9=100 HG2 LYS 73 - HB3 LYS 75 poor 18 60 30 - 2.0-9.4 QB ALA 30 - HB2 LYS 13 far 12 81 15 - 4.0-21.6 HB3 LEU 43 - HB3 LYS 39 far 0 62 0 - 5.5-7.8 HG2 LYS 73 - HB2 LYS 83 far 0 50 0 - 5.7-26.0 HG3 LYS 85 - HB2 LYS 83 far 0 81 0 - 5.7-11.1 HG3 LYS 13 - HB3 LYS 39 far 0 75 0 - 6.0-33.4 HG13 ILE 89 - HB2 LYS 85 far 0 93 0 - 7.2-14.5 HB3 LEU 43 - HB2 LYS 13 far 0 71 0 - 7.4-34.4 HG12 ILE 33 - HB2 LYS 13 far 0 80 0 - 8.0-25.0 HG12 ILE 33 - HB3 LYS 39 far 0 71 0 - 8.3-12.8 HB3 LEU 43 - HB2 LYS 73 far 0 65 0 - 8.3-14.7 HB3 LEU 52 - HB3 LYS 39 far 0 55 0 - 9.1-14.0 HB3 LEU 43 - HB3 LYS 73 far 0 54 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (8.11, 1.72, 32.58 ppm; 4.46 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.2-3.5 4.0=100 H LYS 85 + HB3 LYS 83 OK 26 100 55 48 2.7-7.5 3.6/6062=26, 4.6/842=21...(4) H THR 88 - HB3 LYS 85 far 0 68 0 - 7.2-9.8 H ARG 26 - HB3 LYS 85 far 0 68 0 - 9.3-40.9 H ARG 71 - HB3 LYS 83 far 0 100 0 - 9.8-29.0 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (4.23, 1.72, 32.58 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 83 + HB3 LYS 83 OK 92 92 100 100 2.5-3.0 3.0=100 HA LYS 85 - HB3 LYS 83 far 5 100 5 - 4.9-8.6 HA LYS 83 - HB3 LYS 85 far 0 93 0 - 5.3-8.9 HA ALA 77 - HB3 LYS 83 far 0 99 0 - 7.3-17.7 HA ALA 78 - HB3 LYS 83 far 0 74 0 - 8.7-13.7 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 9 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 85 far 0 100 0 - 4.8-6.9 HB2 LYS 85 - HB3 LYS 83 far 0 100 0 - 4.9-10.1 HB3 ARG 84 - HB3 LYS 83 far 0 100 0 - 5.3-7.5 HB2 LYS 83 - HB3 LYS 85 far 0 81 0 - 5.6-9.3 HB3 LYS 73 - HB3 LYS 83 far 0 69 0 - 6.3-24.4 HB2 LYS 73 - HB3 LYS 83 far 0 81 0 - 7.0-24.7 HB ILE 89 - HB3 LYS 85 far 0 81 0 - 9.5-16.0 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 9 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 83 + HB3 LYS 83 OK 97 97 100 100 2.3-3.0 2.9=100 HG2 LYS 83 - HB3 LYS 85 far 5 98 5 - 4.4-9.4 QB ALA 78 - HB3 LYS 83 far 0 96 0 - 5.8-12.6 QB ALA 77 - HB3 LYS 83 far 0 100 0 - 6.0-16.1 HG2 LYS 85 - HB3 LYS 83 far 0 100 0 - 6.3-10.6 QB ALA 78 - HB3 LYS 85 far 0 97 0 - 7.2-17.6 HG3 LYS 73 - HB3 LYS 83 far 0 96 0 - 7.9-25.9 QB ALA 77 - HB3 LYS 85 far 0 100 0 - 10.0-19.2 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 2.2-3.0 2.9=100 HG3 LYS 85 - HB3 LYS 83 far 5 100 5 - 5.3-10.3 HG2 LYS 73 - HB3 LYS 83 far 0 69 0 - 7.1-26.7 HG13 ILE 89 - HB3 LYS 85 far 0 93 0 - 7.3-16.2 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 23 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 2.2-3.8 3.7=99, ~832=12, ~833=12...(5) HA LYS 75 + HG2 LYS 75 OK 49 49 100 100 2.0-4.2 3.9=88, 3071/1.8=38...(54) HA LYS 75 + HG3 LYS 75 OK 49 49 100 100 2.2-3.8 3.9=88, 3070/1.8=38...(54) HA LYS 75 - HG3 LYS 73 poor 14 87 25 63 4.9-9.9 ~5849=14, 3.0/5892=8...(24) HA LYS 83 - HG2 LYS 85 far 5 93 5 - 5.1-10.1 HA ALA 77 - HG3 LYS 73 far 0 97 0 - 5.4-14.7 HA ALA 77 - HG3 LYS 75 far 0 59 0 - 5.6-10.0 HA LYS 85 - HG2 LYS 83 far 0 91 0 - 5.9-9.0 HA ALA 78 - HG3 LYS 73 far 0 70 0 - 5.9-16.2 HA ALA 77 - HG2 LYS 75 far 0 59 0 - 6.2-10.1 HB THR 37 - HG2 LYS 75 far 0 58 0 - 6.5-19.3 HA GLU 19 - HG3 LYS 75 far 0 30 0 - 6.7-30.5 HA ALA 78 - HG2 LYS 75 far 0 38 0 - 6.8-13.1 HA GLU 19 - HG2 LYS 75 far 0 30 0 - 6.9-29.4 HA ALA 78 - HG2 LYS 83 far 0 64 0 - 7.5-15.0 HB THR 37 - HG3 LYS 75 far 0 58 0 - 7.7-19.5 HA ALA 78 - HG3 LYS 75 far 0 38 0 - 7.8-13.2 HA ALA 77 - HG2 LYS 83 far 0 91 0 - 8.0-18.5 HB THR 37 - HG3 LYS 73 far 0 96 0 - 8.2-13.2 HA LYS 83 - HG3 LYS 73 far 0 88 0 - 8.5-24.5 HA LYS 39 - HG3 LYS 73 far 0 75 0 - 9.4-12.9 HB THR 37 - HG2 LYS 85 far 0 99 0 - 9.6-39.6 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 22 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 2.2-3.0 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 2.3-3.0 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 poor 9 87 35 30 2.6-9.2 4.0/5892=5, 2982/1.8=3...(13) HB3 ARG 84 - HG2 LYS 85 far 5 100 5 - 4.2-7.9 HB2 LYS 85 - HG2 LYS 83 far 5 91 5 - 4.5-10.5 HB2 LYS 73 - HG2 LYS 75 far 2 43 5 - 4.3-11.0 HB3 LYS 73 - HG3 LYS 75 far 2 35 5 - 3.6-9.6 HB3 LYS 73 - HG2 LYS 75 far 2 35 5 - 3.7-9.7 HB2 LYS 73 - HG3 LYS 75 far 0 43 0 - 4.8-9.5 HB2 ARG 69 - HG3 LYS 73 far 0 97 0 - 5.4-9.7 HB3 ARG 84 - HG2 LYS 83 far 0 91 0 - 5.8-8.2 HB2 LYS 73 - HG2 LYS 83 far 0 70 0 - 6.5-25.8 HB2 LYS 83 - HG2 LYS 85 far 0 81 0 - 6.7-11.5 HB2 LYS 83 - HG3 LYS 73 far 0 75 0 - 6.7-25.1 HB ILE 89 - HG2 LYS 85 far 0 81 0 - 6.8-15.0 HB2 ARG 69 - HG3 LYS 75 far 0 59 0 - 6.8-15.8 HB2 ARG 69 - HG2 LYS 75 far 0 59 0 - 7.0-16.2 HB3 LYS 73 - HG2 LYS 83 far 0 59 0 - 7.2-26.0 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 28 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 83 + HG2 LYS 83 OK 90 90 100 100 2.3-3.0 2.9=100 HB2 ARG 84 - HG2 LYS 85 far 15 100 15 - 3.9-8.5 HB2 ARG 82 - HG2 LYS 83 far 8 52 15 - 3.9-7.7 HB3 LYS 85 - HG2 LYS 83 far 5 91 5 - 4.4-9.4 HB2 ARG 84 - HG2 LYS 83 far 5 91 5 - 5.0-8.1 HG3 ARG 71 - HG3 LYS 75 far 3 29 10 - 4.6-15.5 HG3 ARG 71 - HG2 LYS 75 far 0 29 0 - 6.2-15.5 HB3 LYS 83 - HG2 LYS 85 far 0 100 0 - 6.3-10.6 HG2 ARG 70 - HG3 LYS 73 far 0 88 0 - 6.6-9.8 HG2 ARG 70 - HG2 LYS 83 far 0 81 0 - 7.0-27.7 HB2 ARG 82 - HG3 LYS 73 far 0 58 0 - 7.0-24.4 HG2 ARG 70 - HG3 LYS 75 far 0 51 0 - 7.0-14.2 HG3 ARG 71 - HG3 LYS 73 far 0 55 0 - 7.8-11.4 HB2 LEU 43 - HG3 LYS 73 far 0 97 0 - 7.8-12.3 HB3 LYS 83 - HG3 LYS 73 far 0 96 0 - 7.9-25.9 HB2 ARG 82 - HG2 LYS 85 far 0 63 0 - 8.0-13.7 HG3 ARG 26 - HG2 LYS 85 far 0 68 0 - 8.0-45.6 HG3 ARG 26 - HG3 LYS 75 far 0 33 0 - 8.1-26.3 HG2 ARG 70 - HG2 LYS 75 far 0 51 0 - 8.3-14.5 HG3 ARG 26 - HG2 LYS 75 far 0 33 0 - 8.8-26.2 HG3 ARG 71 - HG2 LYS 83 far 0 49 0 - 9.2-30.2 HG3 ARG 71 - HG2 LYS 85 far 0 60 0 - 9.4-35.4 HB2 LEU 29 - HG2 LYS 85 far 0 99 0 - 9.5-46.5 HB3 ARG 17 - HG3 LYS 75 far 0 41 0 - 9.6-34.4 HB3 LEU 64 - HG2 LYS 85 far 0 71 0 - 9.7-40.7 HB2 LEU 43 - HG2 LYS 75 far 0 59 0 - 9.8-20.9 HB3 ARG 17 - HG2 LYS 75 far 0 41 0 - 9.9-35.5 Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (1.38, 1.38, 24.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 93 93 - 100 HG2 LYS 83 + HG2 LYS 83 OK 87 87 - 100 HG2 LYS 75 + HG2 LYS 75 OK 53 53 - 100 HG3 LYS 75 + HG3 LYS 75 OK 53 53 - 100 Peak 3458 from cnoeabs.peaks (1.45, 1.38, 24.55 ppm; 2.40 A): 2 out of 9 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 HG2 LYS 73 - HG2 LYS 75 far 2 35 5 - 2.5-10.9 HG2 LYS 73 - HG3 LYS 75 far 2 35 5 - 2.5-10.8 HG13 ILE 89 - HG2 LYS 85 far 0 93 0 - 5.1-15.8 HG3 LYS 85 - HG2 LYS 83 far 0 91 0 - 5.7-11.4 HG2 LYS 73 - HG2 LYS 83 far 0 59 0 - 6.0-27.9 HB3 LEU 43 - HG3 LYS 73 far 0 85 0 - 8.6-13.3 HB3 LEU 43 - HG2 LYS 75 far 0 48 0 - 9.8-22.0 Violated in 0 structures by 0.00 A. Peak 3464 from cnoeabs.peaks (4.23, 1.45, 24.55 ppm; 4.12 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.2-3.9 3.8=100 HA ALA 12 + HG3 LYS 13 OK 25 57 85 52 3.4-6.8 3.6/471=48, 3127/2.9=2...(5) HA LYS 75 - HG2 LYS 73 poor 12 59 20 - 3.6-9.8 HA LYS 83 - HG3 LYS 85 far 5 93 5 - 4.9-10.1 HA THR 15 - HG3 LYS 13 lone 0 86 30 1 4.5-8.2 HA ALA 77 - HG2 LYS 73 far 0 70 0 - 6.0-14.0 HA ALA 78 - HG2 LYS 73 far 0 46 0 - 6.5-15.8 HA LYS 83 - HG2 LYS 73 far 0 61 0 - 7.4-25.3 HA LYS 39 - HG3 LYS 13 far 0 77 0 - 8.1-33.0 HA LYS 39 - HG2 LYS 73 far 0 50 0 - 8.4-13.0 HB THR 37 - HG2 LYS 73 far 0 69 0 - 9.1-13.8 HA GLU 19 - HG3 LYS 13 far 0 60 0 - 9.3-20.4 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 13 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 92 92 100 100 2.3-3.0 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 52 52 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 43 43 100 100 2.3-3.0 2.9=100 HB3 LYS 75 - HG2 LYS 73 poor 18 59 30 - 2.0-9.4 HB3 ARG 84 - HG3 LYS 85 far 10 100 10 - 3.9-8.5 HB3 LYS 32 - HG3 LYS 13 far 0 57 0 - 5.6-30.3 HB2 LYS 83 - HG2 LYS 73 far 0 50 0 - 5.7-26.0 HB2 LYS 83 - HG3 LYS 85 far 0 81 0 - 5.7-11.1 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 5.8-8.9 HB3 LYS 39 - HG3 LYS 13 far 0 80 0 - 6.0-33.4 HB2 LYS 32 - HG3 LYS 13 far 0 57 0 - 6.2-28.7 HB ILE 89 - HG3 LYS 85 far 0 81 0 - 7.4-15.1 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 17 assignments used, quality = 1.00: * HB3 LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 84 - HG3 LYS 85 poor 20 100 20 - 5.3-8.2 HB2 LEU 29 - HG3 LYS 13 poor 5 98 25 22 5.2-27.7 ~5329=16, ~5328=3...(4) HB3 LYS 83 - HG3 LYS 85 far 5 100 5 - 5.3-10.3 HG2 ARG 70 - HG2 LYS 73 far 3 61 5 - 5.7-9.8 HB3 ARG 17 - HG3 LYS 13 far 0 77 0 - 6.5-16.8 HB2 LEU 43 - HG2 LYS 73 far 0 70 0 - 6.5-12.5 HB2 ARG 82 - HG3 LYS 85 far 0 63 0 - 6.6-14.0 HG3 ARG 26 - HG3 LYS 13 far 0 65 0 - 7.0-29.1 HB3 LYS 83 - HG2 LYS 73 far 0 69 0 - 7.1-26.7 HG3 ARG 71 - HG3 LYS 85 far 0 60 0 - 8.0-37.0 HG3 ARG 71 - HG2 LYS 73 far 0 35 0 - 8.3-11.0 HB3 LEU 64 - HG3 LYS 85 far 0 71 0 - 8.8-42.3 HB2 ARG 82 - HG2 LYS 73 far 0 37 0 - 8.8-24.0 HG3 ARG 26 - HG3 LYS 85 far 0 68 0 - 9.4-44.9 HG2 ARG 70 - HG3 LYS 85 far 0 93 0 - 9.4-33.4 HB2 LEU 43 - HG3 LYS 13 far 0 99 0 - 9.9-34.6 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 16 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 QB ALA 16 - HG3 LYS 13 far 4 84 5 - 1.9-10.3 HG2 LYS 75 - HG2 LYS 73 far 3 63 5 - 2.5-10.9 HG3 LYS 75 - HG2 LYS 73 far 3 63 5 - 2.5-10.8 HG3 ARG 69 - HG2 LYS 73 far 0 71 0 - 4.2-7.3 HB3 ARG 69 - HG2 LYS 73 far 0 56 0 - 4.7-8.8 QB ALA 78 - HG2 LYS 73 far 0 66 0 - 5.4-14.4 QB ALA 77 - HG2 LYS 73 far 0 70 0 - 5.4-12.7 HG2 LYS 83 - HG3 LYS 85 far 0 98 0 - 5.7-11.4 HG2 LYS 83 - HG2 LYS 73 far 0 66 0 - 6.0-27.9 HG3 LYS 39 - HG3 LYS 13 far 0 63 0 - 7.3-32.6 QB ALA 78 - HG3 LYS 85 far 0 97 0 - 8.1-18.2 QB ALA 20 - HG3 LYS 13 far 0 99 0 - 8.2-20.9 HG3 LYS 39 - HG2 LYS 73 far 0 39 0 - 9.0-15.2 QB ALA 20 - HG2 LYS 73 far 0 71 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (1.45, 1.45, 24.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 98 98 - 100 HG2 LYS 73 + HG2 LYS 73 OK 43 43 - 100 Peak 3513 from cnoeabs.peaks (8.27, 4.30, 55.05 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 86 + HA LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 H VAL 90 - HA LEU 86 far 0 100 0 - 6.9-13.0 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 7 assignments used, quality = 1.00: * HB2 LEU 86 + HA LEU 86 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 86 + HA LEU 86 OK 89 90 100 99 2.5-3.7 2.1/3519=71, 4.3=59...(17) HG2 ARG 26 - HA LEU 86 far 0 99 0 - 5.4-47.7 HG3 ARG 84 - HA LEU 86 far 0 81 0 - 5.4-9.6 HG2 ARG 84 - HA LEU 86 far 0 81 0 - 6.9-10.0 HG3 ARG 70 - HA LEU 86 far 0 100 0 - 9.1-35.1 HB3 LEU 62 - HA LEU 86 far 0 68 0 - 9.9-43.6 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 3 assignments used, quality = 1.00: * HB3 LEU 86 + HA LEU 86 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HA LEU 86 far 4 89 5 - 4.0-48.2 HB3 LEU 62 - HA LEU 86 far 0 71 0 - 9.9-43.6 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 8 assignments used, quality = 1.00: * HG LEU 86 + HA LEU 86 OK 97 100 100 97 2.5-3.7 2.1/3519=62, 4.3=47...(17) HB2 LEU 86 + HA LEU 86 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 LEU 29 - HA LEU 86 far 4 87 5 - 4.0-48.2 HG2 ARG 26 - HA LEU 86 far 0 76 0 - 5.4-47.7 HG3 ARG 84 - HA LEU 86 far 0 100 0 - 5.4-9.6 HG2 ARG 84 - HA LEU 86 far 0 100 0 - 6.9-10.0 HG3 ARG 70 - HA LEU 86 far 0 93 0 - 9.1-35.1 HB3 LEU 62 - HA LEU 86 far 0 97 0 - 9.9-43.6 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 2.0-4.1 4.0=100 QD1 LEU 29 - HA LEU 86 far 5 99 5 - 3.9-39.2 QG1 VAL 90 - HA LEU 86 far 0 96 0 - 6.4-13.5 QG2 VAL 90 - HA LEU 86 far 0 97 0 - 6.9-12.3 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (0.83, 4.30, 55.05 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.98: * QD2 LEU 86 + HA LEU 86 OK 98 100 100 98 2.0-3.6 3549=67, 2.1/3517=35...(19) QD1 ILE 89 - HA LEU 86 poor 16 78 20 - 3.6-10.8 QD2 LEU 29 - HA LEU 86 far 5 96 5 - 4.8-37.4 QG2 ILE 89 - HA LEU 86 far 0 98 0 - 5.9-11.3 Violated in 2 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 2.0-4.0 4.0=100 H VAL 90 - HB2 LEU 86 far 0 100 0 - 6.8-13.8 H ASN 80 - HB2 LEU 86 far 0 87 0 - 9.0-21.1 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 2.3-3.0 3.0=100 HA GLU 87 - HB2 LEU 86 poor 19 93 25 83 4.4-6.1 ~397=31, 3528/1.8=27...(12) HA SER 60 - HB3 LEU 62 far 0 35 0 - 5.4-6.9 HA THR 88 - HB2 LEU 86 far 0 78 0 - 5.8-9.7 HA PRO 34 - HB2 LEU 86 far 0 93 0 - 9.2-44.3 HA LEU 86 - HB3 LEU 62 far 0 58 0 - 9.9-43.6 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 4 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 29 - HB2 LEU 86 far 4 89 5 - 2.6-48.3 HG LEU 64 - HB3 LEU 62 far 0 37 0 - 7.0-9.3 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 6 assignments used, quality = 1.00: * QD1 LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 49 49 100 100 2.3-3.1 3.1=100 QD1 LEU 29 - HB2 LEU 86 far 5 99 5 - 3.8-39.2 QD1 LEU 86 - HB3 LEU 62 far 0 58 0 - 6.2-39.5 QG1 VAL 90 - HB2 LEU 86 far 0 96 0 - 6.2-13.1 QG2 VAL 90 - HB2 LEU 86 far 0 97 0 - 7.7-13.5 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 9 assignments used, quality = 1.00: * QD2 LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 ILE 89 - HB2 LEU 86 poor 20 78 25 - 2.0-10.1 QG2 ILE 89 - HB2 LEU 86 far 5 98 5 - 4.9-11.1 QD2 LEU 29 - HB2 LEU 86 far 5 96 5 - 4.1-37.5 QD2 LEU 64 - HB3 LEU 62 far 0 51 0 - 6.7-8.1 QD2 LEU 86 - HB3 LEU 62 far 0 58 0 - 6.8-38.4 QD2 LEU 64 - HB2 LEU 86 far 0 96 0 - 8.9-37.4 QG2 ILE 68 - HB3 LEU 62 far 0 35 0 - 9.5-11.2 QG2 ILE 68 - HB2 LEU 86 far 0 73 0 - 9.8-32.8 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (8.27, 1.56, 42.08 ppm; 4.44 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.4-3.5 4.0=100 H LYS 13 - HB3 LEU 29 far 7 74 10 - 3.3-28.6 H VAL 90 - HB3 LEU 29 far 4 78 5 - 5.2-57.2 H LEU 86 - HB3 LEU 29 far 0 78 0 - 6.0-46.8 H ALA 12 - HB3 LEU 29 far 0 46 0 - 6.8-27.4 H VAL 90 - HB3 LEU 86 far 0 100 0 - 7.2-12.6 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 12 assignments used, quality = 1.00: * HA LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 87 + HB3 LEU 86 OK 66 93 80 88 4.2-6.1 3.0/397=52, 859/861=20...(13) HA ALA 16 - HB3 LEU 29 poor 15 74 20 - 2.6-24.4 HA THR 88 - HB3 LEU 86 far 12 78 15 - 5.0-8.8 HA LEU 86 - HB3 LEU 29 far 4 78 5 - 4.0-48.2 HA SER 60 - HB3 LEU 62 far 0 37 0 - 5.4-6.9 HA ARG 17 - HB3 LEU 29 far 0 50 0 - 6.2-24.8 HA THR 88 - HB3 LEU 29 far 0 54 0 - 6.6-53.2 HA GLU 87 - HB3 LEU 29 far 0 67 0 - 7.0-51.1 HA PRO 34 - HB3 LEU 29 far 0 67 0 - 8.7-11.4 HA PRO 34 - HB3 LEU 86 far 0 93 0 - 8.7-45.6 HA LEU 86 - HB3 LEU 62 far 0 60 0 - 9.9-43.6 Violated in 0 structures by 0.00 A. Peak 3529 from cnoeabs.peaks (1.61, 1.56, 42.08 ppm; 2.40 A): 2 out of 18 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 2.4-2.7 3537=56, 2.1/3551=22...(17) HB2 LEU 86 - HB3 LEU 29 far 4 78 5 - 2.6-48.3 HG3 ARG 84 - HB3 LEU 86 far 0 81 0 - 4.9-11.4 HG LEU 86 - HB3 LEU 29 far 0 64 0 - 4.9-50.5 HG2 ARG 26 - HB3 LEU 29 far 0 75 0 - 5.3-8.4 HG3 ARG 17 - HB3 LEU 29 far 0 76 0 - 5.5-26.7 HG2 ARG 17 - HB3 LEU 29 far 0 77 0 - 5.8-26.7 HG2 ARG 84 - HB3 LEU 86 far 0 81 0 - 6.1-10.9 HD3 LYS 32 - HB3 LEU 29 far 0 78 0 - 6.4-10.8 HD2 LYS 32 - HB3 LEU 29 far 0 77 0 - 6.6-10.3 HG2 ARG 26 - HB3 LEU 86 far 0 99 0 - 7.2-48.2 HG3 ARG 70 - HB3 LEU 86 far 0 100 0 - 7.9-36.3 HG3 ARG 27 - HB3 LEU 29 far 0 61 0 - 8.1-10.6 HG2 ARG 27 - HB3 LEU 29 far 0 63 0 - 8.3-10.2 HG LEU 86 - HB3 LEU 62 far 0 49 0 - 8.4-45.9 HG2 ARG 71 - HB3 LEU 86 far 0 100 0 - 9.3-40.2 HG3 ARG 70 - HB3 LEU 62 far 0 60 0 - 9.3-15.1 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 17 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 2.4-2.7 3537=62, 2.1/3551=22...(17) HB2 LEU 86 - HB3 LEU 29 far 3 64 5 - 2.6-48.3 HB3 LEU 29 - HB3 LEU 86 far 0 87 0 - 4.2-48.6 HG3 ARG 84 - HB3 LEU 86 far 0 100 0 - 4.9-11.4 HG LEU 86 - HB3 LEU 29 far 0 78 0 - 4.9-50.5 HG2 ARG 26 - HB3 LEU 29 far 0 52 0 - 5.3-8.4 HG3 ARG 17 - HB3 LEU 29 far 0 56 0 - 5.5-26.7 HG2 ARG 17 - HB3 LEU 29 far 0 58 0 - 5.8-26.7 HG2 ARG 84 - HB3 LEU 86 far 0 100 0 - 6.1-10.9 HD3 LYS 32 - HB3 LEU 29 far 0 67 0 - 6.4-10.8 HD2 LYS 32 - HB3 LEU 29 far 0 70 0 - 6.6-10.3 HG2 ARG 26 - HB3 LEU 86 far 0 76 0 - 7.2-48.2 HG3 ARG 70 - HB3 LEU 86 far 0 93 0 - 7.9-36.3 HG LEU 86 - HB3 LEU 62 far 0 60 0 - 8.4-45.9 HG2 ARG 71 - HB3 LEU 86 far 0 81 0 - 9.3-40.2 HG3 ARG 70 - HB3 LEU 62 far 0 51 0 - 9.3-15.1 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 10 assignments used, quality = 1.00: * QD1 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 74 74 100 100 1.9-2.8 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 51 51 100 100 2.3-3.1 3.1=100 QD1 LEU 86 - HB3 LEU 29 far 4 78 5 - 3.0-42.7 QD1 LEU 29 - HB3 LEU 86 far 0 99 0 - 5.1-40.4 QG1 VAL 90 - HB3 LEU 29 far 0 70 0 - 5.5-49.3 QD1 LEU 86 - HB3 LEU 62 far 0 60 0 - 6.2-39.5 QG1 VAL 90 - HB3 LEU 86 far 0 96 0 - 6.5-13.7 QG2 VAL 90 - HB3 LEU 29 far 0 71 0 - 7.8-50.9 QG2 VAL 90 - HB3 LEU 86 far 0 97 0 - 8.3-13.2 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (0.83, 1.56, 42.08 ppm; 3.40 A): 2 out of 15 assignments used, quality = 1.00: * QD2 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.3-3.2 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 70 70 100 100 2.0-3.0 3.1=100 QD1 ILE 89 - HB3 LEU 86 poor 16 78 20 - 2.7-9.2 QD2 LEU 86 - HB3 LEU 29 far 4 78 5 - 2.8-42.0 QG2 ILE 89 - HB3 LEU 29 far 4 73 5 - 4.3-48.0 QD1 ILE 89 - HB3 LEU 29 far 3 54 5 - 2.3-47.4 QG2 ILE 89 - HB3 LEU 86 far 0 98 0 - 5.3-10.3 QD2 LEU 29 - HB3 LEU 86 far 0 96 0 - 5.6-38.4 QD2 LEU 64 - HB3 LEU 62 far 0 54 0 - 6.7-8.1 QD2 LEU 86 - HB3 LEU 62 far 0 60 0 - 6.8-38.4 QD2 LEU 64 - HB3 LEU 29 far 0 70 0 - 7.0-8.2 QG2 ILE 68 - HB3 LEU 29 far 0 50 0 - 8.9-11.7 QG2 ILE 68 - HB3 LEU 86 far 0 73 0 - 9.1-32.9 QD2 LEU 64 - HB3 LEU 86 far 0 96 0 - 9.1-37.6 QG2 ILE 68 - HB3 LEU 62 far 0 37 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (4.30, 1.60, 26.98 ppm; 4.27 A): 6 out of 19 assignments used, quality = 1.00: * HA LEU 86 + HG LEU 86 OK 100 100 100 100 2.5-3.7 4.3=100 HA ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.3-3.7 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 43 93 55 84 4.0-6.8 ~397=30, 3528/3.0=27...(9) HA ALA 16 + HG3 ARG 17 OK 24 73 65 51 3.5-7.0 22/5.0=46, ~1154=4...(4) HA ALA 16 + HG2 ARG 17 OK 21 75 55 51 3.7-7.2 22/5.0=46, ~1154=4...(4) HA LEU 86 - HG3 ARG 84 far 4 71 5 - 5.4-9.6 HA PRO 34 - HG3 ARG 17 far 3 66 5 - 5.7-30.1 HA THR 88 - HG LEU 86 lone 3 78 30 13 4.3-9.3 5904/6150=6, ~5367=2...(6) HA PRO 34 - HG2 ARG 17 far 0 68 0 - 6.8-29.6 HA LEU 86 - HG2 ARG 84 far 0 71 0 - 6.9-10.0 HA ALA 16 - HG3 ARG 70 far 0 85 0 - 7.2-31.4 HA GLU 87 - HG3 ARG 84 far 0 61 0 - 7.4-13.4 HA ASP 38 - HG3 ARG 17 far 0 51 0 - 9.0-24.3 HA GLU 87 - HG2 ARG 84 far 0 61 0 - 9.1-13.0 HA ASP 38 - HG LEU 86 far 0 76 0 - 9.1-38.6 HA LEU 86 - HG3 ARG 70 far 0 89 0 - 9.1-35.1 HA SER 60 - HG LEU 86 far 0 73 0 - 9.8-51.7 HA THR 88 - HG3 ARG 84 far 0 48 0 - 10.0-16.4 Violated in 0 structures by 0.00 A. Peak 3536 from cnoeabs.peaks (1.61, 1.60, 26.98 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG LEU 86 + HG LEU 86 OK 90 90 - 100 HG3 ARG 70 + HG3 ARG 70 OK 89 89 - 100 HG2 ARG 17 + HG2 ARG 17 OK 78 78 - 100 HG3 ARG 17 + HG3 ARG 17 OK 75 75 - 100 HG3 ARG 84 + HG3 ARG 84 OK 50 50 - 100 HG2 ARG 84 + HG2 ARG 84 OK 50 50 - 100 Reference assignment not found: HB2 LEU 86 - HG LEU 86 Peak 3537 from cnoeabs.peaks (1.56, 1.60, 26.98 ppm; 2.40 A): 2 out of 21 assignments used, quality = 0.94: * HB3 LEU 86 + HG LEU 86 OK 86 100 100 86 2.4-2.7 3.0=53, 3551/2.1=22...(18) HB3 ARG 54 + HG3 ARG 54 OK 53 59 100 91 2.7-3.0 3.0=54, 1.8/2312=25...(19) HB3 LEU 86 - HG3 ARG 84 far 0 71 0 - 4.9-11.4 HB3 LEU 29 - HG LEU 86 far 0 89 0 - 4.9-50.5 HB3 LEU 29 - HG3 ARG 17 far 0 62 0 - 5.5-26.7 HB3 LEU 29 - HG2 ARG 17 far 0 64 0 - 5.8-26.7 HB3 LEU 86 - HG2 ARG 84 far 0 71 0 - 6.1-10.9 HD3 LYS 39 - HG3 ARG 17 far 0 58 0 - 7.1-27.7 HD2 LYS 39 - HG3 ARG 17 far 0 56 0 - 7.4-27.0 HD2 LYS 39 - HG2 ARG 17 far 0 58 0 - 7.7-27.3 HB3 LEU 86 - HG3 ARG 70 far 0 89 0 - 7.9-36.3 HG LEU 64 - HG3 ARG 70 far 0 61 0 - 8.0-13.1 HD3 LYS 39 - HG2 ARG 17 far 0 60 0 - 8.0-27.0 HG2 LYS 39 - HG3 ARG 54 far 0 59 0 - 8.1-13.8 HG LEU 62 - HG3 ARG 54 far 0 69 0 - 8.4-12.5 HB3 LEU 62 - HG LEU 86 far 0 71 0 - 8.4-45.9 HD2 LYS 39 - HG3 ARG 54 far 0 51 0 - 8.8-12.5 HD3 LYS 39 - HG3 ARG 54 far 0 53 0 - 9.0-12.9 HB3 LEU 62 - HG3 ARG 70 far 0 57 0 - 9.3-15.1 HG2 LYS 39 - HG3 ARG 17 far 0 65 0 - 9.6-27.6 HG LEU 62 - HG3 ARG 70 far 0 88 0 - 9.9-16.6 Violated in 5 structures by 0.01 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 15 assignments used, quality = 1.00: * QD1 LEU 86 + HG LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HG3 ARG 84 far 11 71 15 - 4.6-10.7 HG LEU 51 - HG3 ARG 54 far 7 69 10 - 3.8-7.0 QD1 LEU 29 - HG LEU 86 far 5 99 5 - 4.7-41.1 QG1 VAL 90 - HG LEU 86 far 5 96 5 - 4.8-14.5 QD1 LEU 29 - HG2 ARG 17 far 4 75 5 - 5.2-21.3 QD1 LEU 29 - HG3 ARG 17 far 4 73 5 - 5.4-21.1 QD1 LEU 86 - HG2 ARG 84 far 4 71 5 - 5.5-10.5 QG2 VAL 90 - HG LEU 86 far 0 97 0 - 6.7-13.9 QD1 LEU 86 - HG3 ARG 70 far 0 89 0 - 6.9-32.5 QD1 LEU 62 - HG3 ARG 54 far 0 60 0 - 7.0-11.1 QD1 LEU 29 - HG2 ARG 84 far 0 67 0 - 7.3-34.8 QD1 LEU 29 - HG3 ARG 84 far 0 67 0 - 7.9-35.2 QD1 LEU 62 - HG3 ARG 70 far 0 78 0 - 8.7-14.6 QD1 LEU 62 - HG LEU 86 far 0 93 0 - 8.8-37.8 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 21 assignments used, quality = 1.00: * QD2 LEU 86 + HG LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 89 - HG LEU 86 poor 16 78 40 51 2.1-10.8 6150/3.0=21, 6150=15...(7) QG2 ILE 89 - HG LEU 86 poor 10 98 25 41 4.1-12.1 3617/6150=16, ~6150=14...(6) QD2 LEU 29 - HG2 ARG 17 far 4 71 5 - 5.4-23.3 QD2 LEU 86 - HG3 ARG 84 far 4 71 5 - 5.5-10.7 QD1 ILE 89 - HG3 ARG 84 far 2 48 5 - 5.1-17.6 QG2 ILE 68 - HG3 ARG 70 far 0 59 0 - 5.9-8.6 QD1 LEU 43 - HG3 ARG 54 far 0 69 0 - 6.0-9.2 QD2 LEU 29 - HG LEU 86 far 0 96 0 - 6.2-39.3 QD2 LEU 29 - HG3 ARG 17 far 0 69 0 - 6.3-23.1 QD2 LEU 86 - HG2 ARG 84 far 0 71 0 - 6.3-10.6 QD1 ILE 89 - HG2 ARG 84 far 0 48 0 - 6.5-16.5 QD2 LEU 86 - HG3 ARG 70 far 0 89 0 - 7.8-31.8 QG2 ILE 89 - HG3 ARG 84 far 0 67 0 - 7.8-17.4 QG2 ILE 68 - HG LEU 86 far 0 73 0 - 7.9-34.3 QD2 LEU 64 - HG3 ARG 70 far 0 81 0 - 8.6-12.5 QD2 LEU 64 - HG LEU 86 far 0 96 0 - 8.8-38.9 QG2 ILE 89 - HG2 ARG 84 far 0 67 0 - 9.3-16.8 QD2 LEU 29 - HG2 ARG 84 far 0 63 0 - 9.4-33.3 QD2 LEU 64 - HG3 ARG 17 far 0 69 0 - 9.5-18.4 QD2 LEU 64 - HG2 ARG 17 far 0 71 0 - 9.7-18.5 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 14 assignments used, quality = 1.00: * HA LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.0-4.1 4.0=100 HA GLU 87 + QD1 LEU 86 OK 49 93 65 81 3.5-6.3 ~397=30, 3528/3.1=27...(9) HA ARG 17 - QD1 LEU 29 far 10 68 15 - 3.9-19.8 HA LEU 86 - QD1 LEU 29 far 5 98 5 - 3.9-39.2 HA THR 88 - QD1 LEU 86 lone 3 78 40 8 3.1-8.5 3.0/5367=3, 3549/2.1=1, ~4840=1 HA ALA 16 - QD1 LEU 29 lone 0 95 30 1 2.4-19.9 HA SER 60 - QD1 LEU 62 far 0 60 0 - 6.1-7.0 HA THR 88 - QD1 LEU 29 far 0 73 0 - 7.1-44.4 HA GLU 87 - QD1 LEU 29 far 0 89 0 - 7.3-42.5 HA PRO 34 - QD1 LEU 86 far 0 93 0 - 7.3-39.5 HA SER 60 - QD1 LEU 86 far 0 73 0 - 7.9-44.2 HA ASP 38 - QD1 LEU 86 far 0 76 0 - 8.1-32.6 HA PRO 34 - QD1 LEU 29 far 0 89 0 - 8.7-11.4 HA ASP 38 - QD1 LEU 29 far 0 71 0 - 9.9-13.3 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 27 assignments used, quality = 1.00: * HB2 LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.2-3.2 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 2.3-3.1 3.1=100 HG2 ARG 26 + QD1 LEU 29 OK 40 96 75 56 2.2-6.1 3.7/4187=16, 1.8/2601=11...(13) HG3 ARG 84 - QD1 LEU 86 far 8 81 10 - 4.6-10.7 HB2 LEU 86 - QD1 LEU 29 far 5 98 5 - 3.8-39.2 HG LEU 86 - QD1 LEU 29 far 0 85 0 - 4.7-41.1 HG2 ARG 26 - QD1 LEU 86 far 0 99 0 - 5.0-42.4 HG2 ARG 17 - QD1 LEU 29 far 0 97 0 - 5.2-21.3 HG3 ARG 17 - QD1 LEU 29 far 0 97 0 - 5.4-21.1 HG2 ARG 84 - QD1 LEU 86 far 0 81 0 - 5.5-10.5 HG2 ARG 27 - QD1 LEU 29 far 0 84 0 - 6.2-9.2 HB3 LEU 62 - QD1 LEU 86 far 0 68 0 - 6.2-39.5 HD3 LYS 32 - QD1 LEU 29 far 0 97 0 - 6.3-11.2 HG3 ARG 27 - QD1 LEU 29 far 0 82 0 - 6.3-8.6 HG2 ARG 27 - QD1 LEU 86 far 0 89 0 - 6.8-39.8 HD2 LYS 32 - QD1 LEU 29 far 0 97 0 - 6.8-10.7 HG3 ARG 70 - QD1 LEU 86 far 0 100 0 - 6.9-32.5 HG3 ARG 27 - QD1 LEU 86 far 0 87 0 - 7.2-39.5 HG2 ARG 84 - QD1 LEU 29 far 0 76 0 - 7.3-34.8 HB3 LEU 51 - QD1 LEU 62 far 0 78 0 - 7.5-10.5 HG3 ARG 84 - QD1 LEU 29 far 0 76 0 - 7.9-35.2 HG2 ARG 71 - QD1 LEU 86 far 0 100 0 - 7.9-35.7 HG3 ARG 70 - QD1 LEU 62 far 0 90 0 - 8.7-14.6 HG LEU 86 - QD1 LEU 62 far 0 76 0 - 8.8-37.8 HD2 LYS 32 - QD1 LEU 86 far 0 100 0 - 8.9-45.1 HD3 LYS 32 - QD1 LEU 86 far 0 100 0 - 9.6-46.1 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 16 assignments used, quality = 1.00: * HB3 LEU 86 + QD1 LEU 86 OK 97 100 100 97 2.0-3.2 3.1=71, 3537/2.1=41...(20) 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 1.9-2.8 3.1=70, 1.8/1506=55...(20) HB3 LEU 62 + QD1 LEU 62 OK 56 58 100 97 2.3-3.1 3.1=70, 3.0/2570=27...(22) HB3 LEU 29 - QD1 LEU 86 far 4 89 5 - 3.0-42.7 HB3 LEU 86 - QD1 LEU 29 far 0 98 0 - 5.1-40.4 HB3 LEU 62 - QD1 LEU 86 far 0 71 0 - 6.2-39.5 HG3 ARG 54 - QD1 LEU 62 far 0 81 0 - 7.0-11.1 HG LEU 64 - QD1 LEU 62 far 0 62 0 - 7.2-9.9 HG LEU 64 - QD1 LEU 86 far 0 76 0 - 7.7-39.2 HG3 ARG 23 - QD1 LEU 29 far 0 73 0 - 7.8-10.2 HG LEU 62 - QD1 LEU 86 far 0 100 0 - 8.4-39.2 HB3 ARG 54 - QD1 LEU 62 far 0 78 0 - 8.4-11.8 HG2 LYS 39 - QD1 LEU 86 far 0 92 0 - 8.4-32.5 HG LEU 64 - QD1 LEU 29 far 0 71 0 - 9.3-10.5 HG3 ARG 23 - QD1 LEU 86 far 0 78 0 - 9.8-42.2 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (1.60, 0.89, 24.55 ppm; 2.87 A): 5 out of 26 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 2.2-3.2 3.1=80, ~3537=22...(18) HB3 LEU 62 + QD1 LEU 62 OK 84 85 100 99 2.3-3.1 3.1=79, 3.0/2570=29...(23) HB3 LEU 29 + QD1 LEU 29 OK 82 82 100 100 1.9-2.8 3.1=79, 1.8/1506=59...(20) HG2 ARG 26 + QD1 LEU 29 OK 22 71 70 43 2.2-6.1 3.7/4187=13, 1.8/2601=9...(10) HB3 LEU 29 - QD1 LEU 86 far 4 87 5 - 3.0-42.7 HB2 LEU 86 - QD1 LEU 29 far 4 85 5 - 3.8-39.2 HG3 ARG 84 - QD1 LEU 86 far 0 100 0 - 4.6-10.7 HG LEU 86 - QD1 LEU 29 far 0 98 0 - 4.7-41.1 HG2 ARG 26 - QD1 LEU 86 far 0 76 0 - 5.0-42.4 HG2 ARG 17 - QD1 LEU 29 far 0 78 0 - 5.2-21.3 HG3 ARG 17 - QD1 LEU 29 far 0 76 0 - 5.4-21.1 HG2 ARG 84 - QD1 LEU 86 far 0 100 0 - 5.5-10.5 HB3 LEU 62 - QD1 LEU 86 far 0 97 0 - 6.2-39.5 HD3 LYS 32 - QD1 LEU 29 far 0 89 0 - 6.3-11.2 HD2 LYS 32 - QD1 LEU 29 far 0 91 0 - 6.8-10.7 HG3 ARG 70 - QD1 LEU 86 far 0 93 0 - 6.9-32.5 HG3 ARG 54 - QD1 LEU 62 far 0 65 0 - 7.0-11.1 HG2 ARG 84 - QD1 LEU 29 far 0 97 0 - 7.3-34.8 HB3 LEU 51 - QD1 LEU 62 far 0 90 0 - 7.5-10.5 HG3 ARG 84 - QD1 LEU 29 far 0 97 0 - 7.9-35.2 HG2 ARG 71 - QD1 LEU 86 far 0 81 0 - 7.9-35.7 HG3 ARG 70 - QD1 LEU 62 far 0 80 0 - 8.7-14.6 HG LEU 86 - QD1 LEU 62 far 0 90 0 - 8.8-37.8 HD2 LYS 32 - QD1 LEU 86 far 0 96 0 - 8.9-45.1 HD3 LYS 32 - QD1 LEU 86 far 0 93 0 - 9.6-46.1 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (0.89, 0.89, 24.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 86 + QD1 LEU 86 OK 100 100 - 100 QD1 LEU 29 + QD1 LEU 29 OK 95 95 - 100 QD1 LEU 62 + QD1 LEU 62 OK 80 80 - 100 Peak 3547 from cnoeabs.peaks (0.83, 0.89, 24.55 ppm; 2.40 A): 2 out of 16 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 10 98 10 - 3.0-11.1 QD2 LEU 86 - QD1 LEU 29 far 5 98 5 - 2.0-34.2 QD1 ILE 89 - QD1 LEU 86 lone 1 78 30 4 2.3-10.3 3540/2.1=2, ~3621=2 QD1 ILE 89 - QD1 LEU 29 far 0 73 0 - 4.0-38.8 QD2 LEU 29 - QD1 LEU 86 far 0 96 0 - 4.2-33.2 QG2 ILE 89 - QD1 LEU 29 far 0 94 0 - 5.8-39.4 QD2 LEU 64 - QD1 LEU 86 far 0 96 0 - 5.8-33.2 QG2 ILE 68 - QD1 LEU 86 far 0 73 0 - 6.2-29.3 QD2 LEU 64 - QD1 LEU 29 far 0 91 0 - 6.4-7.9 QD2 LEU 64 - QD1 LEU 62 far 0 82 0 - 6.4-8.3 QD2 LEU 86 - QD1 LEU 62 far 0 90 0 - 6.8-31.6 QG2 ILE 68 - QD1 LEU 29 far 0 68 0 - 7.6-10.0 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 8.9-11.5 QG2 ILE 68 - QD1 LEU 62 far 0 60 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3549 from cnoeabs.peaks (4.30, 0.83, 23.40 ppm; 3.50 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.0-3.6 3519=100, 3517/2.1=37...(19) HA GLU 87 + QD2 LEU 86 OK 38 93 65 62 3.0-5.9 3528/3.1=18, ~397=18...(8) HA LEU 86 - QD2 LEU 29 far 4 87 5 - 4.8-37.4 HA ARG 17 - QD2 LEU 29 far 3 58 5 - 4.5-21.8 HA THR 88 - QD2 LEU 86 lone 2 78 40 7 2.6-7.9 3.5/5268=1, ~5367=1, 3588/3621=1 HA ALA 16 - QD2 LEU 29 lone 0 84 25 1 3.6-21.5 HA THR 88 - QD2 LEU 29 far 0 62 0 - 5.8-42.5 HA PRO 34 - QD2 LEU 29 far 0 77 0 - 6.5-10.5 HA GLU 87 - QD2 LEU 29 far 0 77 0 - 7.2-40.7 HA ASP 38 - QD2 LEU 29 far 0 60 0 - 8.5-13.5 HA SER 60 - QD2 LEU 86 far 0 73 0 - 8.9-43.2 HA ASP 38 - QD2 LEU 86 far 0 76 0 - 9.2-32.9 HA PRO 34 - QD2 LEU 86 far 0 93 0 - 9.7-38.4 Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (1.61, 0.83, 23.40 ppm; 3.40 A): 3 out of 20 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 24 85 45 63 3.2-6.8 3.7/5349=14, 3.0/5375=12...(15) HG2 ARG 26 - QD2 LEU 86 far 5 99 5 - 3.1-42.0 HB2 LEU 86 - QD2 LEU 29 far 4 87 5 - 4.1-37.5 HG2 ARG 17 - QD2 LEU 29 far 0 86 0 - 5.4-23.3 HG3 ARG 84 - QD2 LEU 86 far 0 81 0 - 5.5-10.7 HG3 ARG 27 - QD2 LEU 29 far 0 70 0 - 5.6-8.7 HG2 ARG 27 - QD2 LEU 29 far 0 72 0 - 6.0-8.3 HG LEU 86 - QD2 LEU 29 far 0 74 0 - 6.2-39.3 HG3 ARG 17 - QD2 LEU 29 far 0 86 0 - 6.3-23.1 HG2 ARG 84 - QD2 LEU 86 far 0 81 0 - 6.3-10.6 HD3 LYS 32 - QD2 LEU 29 far 0 87 0 - 6.5-10.5 HD2 LYS 32 - QD2 LEU 29 far 0 86 0 - 6.7-10.5 HB3 LEU 62 - QD2 LEU 86 far 0 68 0 - 6.8-38.4 HG2 ARG 27 - QD2 LEU 86 far 0 89 0 - 7.0-39.3 HG3 ARG 27 - QD2 LEU 86 far 0 87 0 - 7.5-39.0 HG3 ARG 70 - QD2 LEU 86 far 0 100 0 - 7.8-31.8 HG2 ARG 84 - QD2 LEU 29 far 0 64 0 - 9.4-33.3 HG2 ARG 71 - QD2 LEU 86 far 0 100 0 - 9.7-35.3 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 13 assignments used, quality = 1.00: * HB3 LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.3-3.2 3.1=93, 3537/2.1=47...(22) HB3 LEU 29 + QD2 LEU 29 OK 72 72 100 100 2.0-3.0 3.1=92, 1494/2.1=60...(23) HB3 LEU 29 - QD2 LEU 86 far 4 89 5 - 2.8-42.0 HB3 LEU 86 - QD2 LEU 29 far 0 87 0 - 5.6-38.4 HB3 LEU 62 - QD2 LEU 86 far 0 71 0 - 6.8-38.4 HG LEU 64 - QD2 LEU 29 far 0 60 0 - 7.6-10.6 HG3 ARG 23 - QD2 LEU 29 far 0 62 0 - 7.9-10.8 HG2 LYS 39 - QD2 LEU 29 far 0 75 0 - 8.5-13.6 HD2 LYS 39 - QD2 LEU 29 far 0 66 0 - 8.5-15.1 HD3 LYS 39 - QD2 LEU 29 far 0 68 0 - 8.5-14.8 HG LEU 62 - QD2 LEU 86 far 0 100 0 - 8.8-38.0 HG3 ARG 23 - QD2 LEU 86 far 0 78 0 - 9.0-42.0 HG LEU 64 - QD2 LEU 86 far 0 76 0 - 9.8-38.4 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 20 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 2.0-3.0 3.1=98, 1494/2.1=61...(22) HG2 ARG 26 - QD2 LEU 29 poor 18 60 30 - 3.2-6.8 HB3 LEU 29 - QD2 LEU 86 far 4 87 5 - 2.8-42.0 HG2 ARG 26 - QD2 LEU 86 far 4 76 5 - 3.1-42.0 HB2 LEU 86 - QD2 LEU 29 far 4 74 5 - 4.1-37.5 HG2 ARG 17 - QD2 LEU 29 far 0 66 0 - 5.4-23.3 HG3 ARG 84 - QD2 LEU 86 far 0 100 0 - 5.5-10.7 HG LEU 86 - QD2 LEU 29 far 0 87 0 - 6.2-39.3 HG3 ARG 17 - QD2 LEU 29 far 0 64 0 - 6.3-23.1 HG2 ARG 84 - QD2 LEU 86 far 0 100 0 - 6.3-10.6 HD3 LYS 32 - QD2 LEU 29 far 0 77 0 - 6.5-10.5 HD2 LYS 32 - QD2 LEU 29 far 0 80 0 - 6.7-10.5 HB3 LEU 62 - QD2 LEU 86 far 0 97 0 - 6.8-38.4 HG3 ARG 70 - QD2 LEU 86 far 0 93 0 - 7.8-31.8 HD2 LYS 39 - QD2 LEU 29 far 0 75 0 - 8.5-15.1 HD3 LYS 39 - QD2 LEU 29 far 0 74 0 - 8.5-14.8 HG2 ARG 84 - QD2 LEU 29 far 0 86 0 - 9.4-33.3 HG2 ARG 71 - QD2 LEU 86 far 0 81 0 - 9.7-35.3 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 9 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 QD1 LEU 29 - QD2 LEU 86 far 5 99 5 - 2.0-34.2 QG1 VAL 90 - QD2 LEU 86 far 5 96 5 - 3.3-12.5 QG1 VAL 90 - QD2 LEU 29 far 4 80 5 - 3.6-39.4 QD1 LEU 86 - QD2 LEU 29 far 0 87 0 - 4.2-33.2 QG2 VAL 90 - QD2 LEU 86 far 0 97 0 - 4.4-11.2 QG2 VAL 90 - QD2 LEU 29 far 0 81 0 - 5.4-40.7 QD1 LEU 62 - QD2 LEU 86 far 0 93 0 - 6.8-31.6 Violated in 0 structures by 0.00 A. Peak 3554 from cnoeabs.peaks (0.83, 0.83, 23.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 86 + QD2 LEU 86 OK 100 100 - 100 QD2 LEU 29 + QD2 LEU 29 OK 80 80 - 100 Peak 3555 from cnoeabs.peaks (8.42, 4.32, 56.44 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA GLU 87 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (4.32, 4.32, 56.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HA GLU 87 OK 100 100 - 100 Peak 3557 from cnoeabs.peaks (2.03, 4.32, 56.44 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 90 - HA GLU 87 far 0 95 0 - 8.3-11.3 HB3 GLU 25 - HA GLU 87 far 0 76 0 - 9.9-46.8 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 1 assignment used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-4.2 4.0=100 HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 3560 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-4.2 4.0=100 HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-4.2 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): 3 out of 3 assignments used, quality = 1.00: * H GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.2-4.0 4.0=100 H ALA 20 + HB3 GLU 19 OK 48 48 100 100 2.0-4.4 4.6=100 H GLY 18 + HB3 GLU 19 OK 22 68 60 53 4.6-6.9 4822/3.0=18, 3567/1.8=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 4 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 33 93 55 64 4.2-6.1 3568/1.8=26, 395/4.0=26...(9) HA ALA 16 - HB3 GLU 19 far 0 87 0 - 6.4-12.6 HA PRO 34 - HB3 GLU 19 far 0 89 0 - 9.9-26.4 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (2.03, 2.03, 30.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 87 + HB2 GLU 87 OK 100 100 - 100 HB3 GLU 19 + HB3 GLU 19 OK 87 87 - 100 HB3 GLN 91 + HB3 GLN 91 OK 86 86 - 100 Peak 3564 from cnoeabs.peaks (1.91, 2.03, 30.25 ppm; 2.40 A): 3 out of 9 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 HB VAL 41 - HB3 GLU 19 far 0 64 0 - 6.8-23.5 HB3 PRO 14 - HB3 GLU 19 far 0 66 0 - 7.4-19.5 HB3 ARG 26 - HB3 GLU 19 far 0 53 0 - 7.7-16.6 HB2 ARG 26 - HB3 GLU 19 far 0 50 0 - 8.0-14.9 HG12 ILE 40 - HB3 GLU 19 far 0 89 0 - 9.0-23.4 HG13 ILE 68 - HB3 GLU 19 far 0 76 0 - 9.4-21.7 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 4 assignments used, quality = 1.00: HG3 GLU 87 + HB2 GLU 87 OK 81 100 100 81 2.2-3.0 3.0=73, 1.8/3575=11...(10) * HG2 GLU 87 + HB2 GLU 87 OK 81 100 100 81 2.5-3.0 3.0=73, 1.8/3575=11...(10) HG3 GLU 19 + HB3 GLU 19 OK 64 76 100 84 2.3-3.0 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) 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 4 assignments used, quality = 0.99: * HG3 GLU 87 + HB2 GLU 87 OK 79 100 100 79 2.2-3.0 3.0=71, 1.8/3575=11...(10) HG2 GLU 87 + HB2 GLU 87 OK 79 100 100 79 2.5-3.0 3.0=71, 1.8/3575=11...(10) HG3 GLU 19 + HB3 GLU 19 OK 64 77 100 83 2.3-3.0 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) 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 10 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.5-3.7 4.0=100 H ALA 20 + HB2 GLU 19 OK 50 50 100 100 2.2-4.6 4.6=97, 4.6/493=53...(16) H GLY 18 + HB2 GLU 19 OK 36 70 70 73 3.6-7.2 4.6/493=53, 4822/3.0=17...(8) H ALA 20 - HB3 ARG 26 far 2 23 10 - 5.5-14.3 H ALA 20 - HB2 ARG 26 far 2 22 10 - 5.5-12.6 H GLY 18 - HB3 ARG 26 far 0 34 0 - 7.1-19.0 H GLY 18 - HB2 ARG 26 far 0 33 0 - 8.3-17.4 H GLU 87 - HB3 ARG 26 far 0 48 0 - 8.7-49.2 H GLU 87 - HB2 ARG 26 far 0 46 0 - 9.6-50.0 H GLU 87 - HB2 GLN 91 far 0 89 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (4.32, 1.91, 30.25 ppm; 3.72 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 86 + HB3 GLU 87 OK 49 93 75 71 4.5-5.7 3.6/868=50, 3562/1.8=17...(8) HA ALA 16 - HB2 GLU 19 far 4 90 5 - 5.0-12.5 HA ALA 16 - HB3 ARG 26 far 0 47 0 - 5.8-21.8 HA ALA 16 - HB2 ARG 26 far 0 45 0 - 6.8-20.5 HA LEU 86 - HB3 ARG 26 far 0 41 0 - 7.0-48.0 HA LEU 86 - HB2 ARG 26 far 0 39 0 - 7.7-48.9 HA PRO 34 - HB2 GLU 19 far 0 92 0 - 9.0-25.4 HA PRO 34 - HB2 GLN 91 far 0 89 0 - 9.5-60.1 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 15 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 - HB3 ARG 26 far 0 32 0 - 4.2-7.5 HB3 GLU 25 - HB2 GLU 19 far 0 64 0 - 4.3-15.2 HB2 GLU 25 - HB2 ARG 26 far 0 30 0 - 4.4-6.4 HB3 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.5-6.5 HB3 GLU 25 - HB2 ARG 26 far 0 29 0 - 4.6-6.2 HB VAL 90 - HB2 GLN 91 far 0 80 0 - 4.8-7.5 HB2 GLU 25 - HB2 GLU 19 far 0 66 0 - 5.0-13.7 HB VAL 90 - HB3 GLU 87 far 0 95 0 - 7.3-12.1 HB3 GLU 19 - HB3 ARG 26 far 0 46 0 - 7.7-16.6 HB3 GLU 19 - HB2 ARG 26 far 0 44 0 - 8.0-14.9 HB VAL 76 - HB2 GLU 19 far 0 83 0 - 8.1-33.1 HB3 MET 11 - HB3 ARG 26 far 0 28 0 - 9.8-34.2 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 10 assignments used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HG2 GLU 19 - HB3 ARG 26 far 0 39 0 - 7.5-18.3 HG3 GLU 19 - HB3 ARG 26 far 0 39 0 - 7.7-18.6 HG2 GLU 19 - HB2 ARG 26 far 0 37 0 - 7.7-16.9 HG3 GLU 19 - HB2 ARG 26 far 0 37 0 - 7.9-17.0 HG3 GLU 87 - HB2 GLN 91 far 0 88 0 - 9.0-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 89 0 - 9.9-17.0 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 10 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 2.3-2.9 3.0=100 HG3 GLU 19 + HB2 GLU 19 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 80 80 100 100 2.4-3.0 3.0=100 HG2 GLU 19 - HB3 ARG 26 far 0 40 0 - 7.5-18.3 HG3 GLU 19 - HB3 ARG 26 far 0 40 0 - 7.7-18.6 HG2 GLU 19 - HB2 ARG 26 far 0 38 0 - 7.7-16.9 HG3 GLU 19 - HB2 ARG 26 far 0 38 0 - 7.9-17.0 HG3 GLU 87 - HB2 GLN 91 far 0 89 0 - 9.0-16.5 HG2 GLU 87 - HB2 GLN 91 far 0 88 0 - 9.9-17.0 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 16 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 81 96 100 84 2.4-3.0 3.0=66, 1.8/2196=26...(7) HB3 GLU 50 + HG3 GLU 50 OK 81 96 100 84 2.4-3.0 3.0=66, 1.8/2196=26...(7) HB2 GLU 87 + HG3 GLU 87 OK 77 100 100 77 2.2-3.0 3.0=66, 3566/1.8=17...(8) * HB2 GLU 87 + HG2 GLU 87 OK 77 100 100 77 2.5-3.0 3.0=66, 3566/1.8=17...(8) HB3 GLU 19 + HG3 GLU 19 OK 72 88 100 82 2.3-3.0 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=17...(11) HB3 GLU 25 - HG3 GLU 19 far 3 63 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 81 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 95 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 81 0 - 6.0-34.7 HB VAL 90 - HG3 GLU 87 far 0 94 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 87 0 - 6.9-8.1 HD3 ARG 69 - HG3 GLU 50 far 0 99 0 - 9.8-14.3 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 16 assignments used, quality = 1.00: * HB3 GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.3-2.9 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 2.4-3.0 3.0=100 HB3 PRO 14 - HG3 GLU 19 far 0 67 0 - 6.2-19.9 HB VAL 41 - HG2 GLU 19 far 0 65 0 - 6.7-25.0 HB3 PRO 14 - HG2 GLU 19 far 0 67 0 - 7.2-18.8 HB VAL 41 - HG3 GLU 19 far 0 65 0 - 7.2-25.2 HB3 ARG 26 - HG2 GLU 19 far 0 53 0 - 7.5-18.3 HB3 ARG 26 - HG3 GLU 19 far 0 53 0 - 7.7-18.6 HB2 ARG 26 - HG2 GLU 19 far 0 51 0 - 7.7-16.9 HB2 ARG 26 - HG3 GLU 19 far 0 51 0 - 7.9-17.0 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 9.0-16.5 HG12 ILE 40 - HG3 GLU 19 far 0 90 0 - 9.2-24.4 HG12 ILE 40 - HG2 GLU 19 far 0 90 0 - 9.2-24.3 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.9-17.0 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): 6 out of 6 assignments used, quality = 1.00: H GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.0-4.6 4.8=100 * H GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.6-4.7 4.8=100 H ALA 20 + HG3 GLU 19 OK 48 50 100 97 2.8-6.0 29/3.0=41, 3.6/1210=39...(14) H ALA 20 + HG2 GLU 19 OK 48 50 100 97 2.1-5.2 29/3.0=41, 3.6/1210=39...(14) H GLY 18 + HG2 GLU 19 OK 36 71 80 64 2.7-7.7 4.6/496=29, 4822/3.9=18...(8) H GLY 18 + HG3 GLU 19 OK 34 71 75 63 2.8-7.5 4.6/496=29, 4822/3.9=18...(8) 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 16 assignments used, quality = 1.00: HB2 GLU 50 + HG3 GLU 50 OK 80 95 100 84 2.4-3.0 3.0=66, 1.8/2196=26...(7) HB3 GLU 50 + HG3 GLU 50 OK 80 95 100 84 2.4-3.0 3.0=66, 1.8/2196=26...(7) * HB2 GLU 87 + HG3 GLU 87 OK 77 100 100 77 2.2-3.0 3.0=66, 3566/1.8=17...(8) HB2 GLU 87 + HG2 GLU 87 OK 77 100 100 77 2.5-3.0 3.0=66, 3566/1.8=17...(8) HB3 GLU 19 + HG3 GLU 19 OK 73 89 100 82 2.3-3.0 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=17...(11) HB3 GLU 25 - HG3 GLU 19 far 3 64 5 - 3.8-17.5 HB2 GLU 25 - HG2 GLU 19 far 0 66 0 - 4.4-15.3 HB3 GLU 25 - HG2 GLU 19 far 0 64 0 - 4.8-16.7 HB2 GLU 25 - HG3 GLU 19 far 0 66 0 - 5.3-16.0 HB VAL 76 - HG3 GLU 19 far 0 83 0 - 5.7-35.1 HB VAL 90 - HG2 GLU 87 far 0 94 0 - 5.7-12.8 HB VAL 76 - HG2 GLU 19 far 0 83 0 - 6.0-34.7 HB VAL 90 - HG3 GLU 87 far 0 95 0 - 6.9-13.3 HG2 PRO 44 - HG3 GLU 50 far 0 86 0 - 6.9-8.1 HD3 ARG 69 - HG3 GLU 50 far 0 98 0 - 9.8-14.3 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 16 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 2.3-2.9 3.0=100 HB2 GLU 19 + HG3 GLU 19 OK 92 92 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 PRO 14 - HG3 GLU 19 far 0 69 0 - 6.2-19.9 HB VAL 41 - HG2 GLU 19 far 0 66 0 - 6.7-25.0 HB3 PRO 14 - HG2 GLU 19 far 0 69 0 - 7.2-18.8 HB VAL 41 - HG3 GLU 19 far 0 66 0 - 7.2-25.2 HB3 ARG 26 - HG2 GLU 19 far 0 55 0 - 7.5-18.3 HB3 ARG 26 - HG3 GLU 19 far 0 55 0 - 7.7-18.6 HB2 ARG 26 - HG2 GLU 19 far 0 52 0 - 7.7-16.9 HB2 ARG 26 - HG3 GLU 19 far 0 52 0 - 7.9-17.0 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 9.0-16.5 HG12 ILE 40 - HG3 GLU 19 far 0 91 0 - 9.2-24.4 HG12 ILE 40 - HG2 GLU 19 far 0 91 0 - 9.2-24.3 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.9-17.0 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 3 assignments used, quality = 1.00: * HB THR 88 + HA THR 88 OK 100 100 100 100 2.4-2.9 3.0=100 HA GLN 91 - HA THR 88 far 0 93 0 - 6.7-10.8 HA ALA 30 - HA THR 88 far 0 90 0 - 9.9-54.8 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 62 100 80 77 3.3-6.5 4.5/408=51, 2.1/5904=24...(7) 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 - 8.2-13.6 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 2.4-2.9 3.0=93, 408/409=29 HA LEU 86 - HB THR 88 far 0 78 0 - 5.5-10.2 Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (4.12, 4.12, 69.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 88 + HB THR 88 OK 100 100 - 100 Peak 3592 from cnoeabs.peaks (1.15, 4.12, 69.75 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 88 + HB THR 88 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 89 - HB THR 88 far 15 100 15 - 4.6-7.3 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 4 assignments used, quality = 1.00: * HA THR 88 + QG2 THR 88 OK 100 100 100 100 2.0-3.2 3.2=100 HA LEU 86 - QG2 THR 88 far 4 78 5 - 3.3-7.8 HA SER 60 - QG2 THR 88 far 0 100 0 - 8.7-44.5 HA LEU 64 - QG2 THR 88 far 0 83 0 - 9.3-40.9 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 3 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 9 93 10 - 3.7-9.8 HA ALA 30 - QG2 THR 88 far 0 90 0 - 8.5-46.2 Violated in 0 structures by 0.00 A. Peak 3596 from cnoeabs.peaks (1.15, 1.15, 21.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 88 + QG2 THR 88 OK 100 100 - 100 Peak 3597 from cnoeabs.peaks (8.17, 4.17, 60.86 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + HA ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3598 from cnoeabs.peaks (4.17, 4.17, 60.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 89 + HA ILE 89 OK 100 100 - 100 Peak 3599 from cnoeabs.peaks (1.82, 4.17, 60.86 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 89 + HA ILE 89 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 85 - HA ILE 89 far 0 81 0 - 9.7-13.4 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 4 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 29 - HA ILE 89 far 5 100 5 - 3.3-44.0 QD2 LEU 86 - HA ILE 89 lone 3 98 25 10 3.5-10.8 4840/4.0=5, ~3540=2, 5268/3.0=2 QD2 LEU 64 - HA ILE 89 far 0 100 0 - 9.4-42.0 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 2.6-4.2 4.0=100 QG2 THR 88 + HA ILE 89 OK 88 100 100 88 4.0-5.6 ~409=45, 879/3.0=39...(6) 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 4 assignments used, quality = 1.00: * HG13 ILE 89 + HA ILE 89 OK 100 100 100 100 2.6-4.2 4.0=100 QB ALA 30 - HA ILE 89 far 0 99 0 - 6.8-47.9 HG12 ILE 33 - HA ILE 89 far 0 100 0 - 7.8-51.1 HG3 LYS 85 - HA ILE 89 far 0 93 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 3603 from cnoeabs.peaks (0.81, 4.17, 60.86 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 89 + HA ILE 89 OK 100 100 100 100 2.0-4.1 4.2=100 QD2 LEU 86 - HA ILE 89 poor 20 78 25 - 3.5-10.8 Violated in 0 structures by 0.00 A. Peak 3604 from cnoeabs.peaks (8.17, 1.82, 38.45 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + HB ILE 89 OK 100 100 100 100 2.5-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 3605 from cnoeabs.peaks (4.17, 1.82, 38.45 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HB ILE 89 far 0 98 0 - 5.5-55.1 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 4 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 - 5.0-11.6 QD2 LEU 29 - HB ILE 89 far 0 100 0 - 5.9-44.7 QD2 LEU 64 - HB ILE 89 far 0 100 0 - 9.9-43.8 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 4 assignments used, quality = 1.00: * HG13 ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 85 - HB ILE 89 far 0 93 0 - 7.4-15.1 HG12 ILE 33 - HB ILE 89 far 0 100 0 - 8.2-53.2 QB ALA 30 - HB ILE 89 far 0 99 0 - 8.8-49.7 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 4 78 5 - 5.0-11.6 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (4.17, 0.84, 17.06 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.2-2.5 3.2=100 HA LEU 29 - QG2 ILE 89 far 5 98 5 - 3.2-46.6 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 4 assignments used, quality = 1.00: * HB ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 84 - QG2 ILE 89 far 0 81 0 - 8.2-15.8 HB2 LYS 85 - QG2 ILE 89 far 0 81 0 - 8.9-13.1 HB2 ARG 27 - QG2 ILE 89 far 0 60 0 - 9.5-46.2 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 3 assignments used, quality = 1.00: * HG12 ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 THR 88 - QG2 ILE 89 poor 15 100 25 62 4.0-6.5 879/4.0=19, 3601/3.2=17...(7) QG2 THR 37 - QG2 ILE 89 far 0 60 0 - 8.0-33.7 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 5 assignments used, quality = 1.00: * HG13 ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.1-3.2 3.2=100 HG12 ILE 33 - QG2 ILE 89 far 5 100 5 - 4.9-44.9 QB ALA 30 - QG2 ILE 89 far 0 99 0 - 6.0-41.8 HG3 LYS 85 - QG2 ILE 89 far 0 93 0 - 7.7-12.8 HB3 LEU 57 - QG2 ILE 89 far 0 60 0 - 9.7-42.9 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 3 assignments used, quality = 1.00: * QD1 ILE 89 + QG2 ILE 89 OK 100 100 100 100 1.9-2.4 3635=100, ~3635=8, 5268/4.0=4 QD2 LEU 86 - QG2 ILE 89 far 8 78 10 - 2.8-10.0 QG2 ILE 68 - QG2 ILE 89 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (8.17, 1.14, 27.16 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.0-4.0 4.5=100 Violated in 0 structures by 0.00 A. Peak 3619 from cnoeabs.peaks (4.17, 1.14, 27.16 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.6-4.2 4.0=100 HA LEU 29 - HG12 ILE 89 far 5 98 5 - 4.3-53.2 HA ARG 84 - HG12 ILE 89 far 0 92 0 - 10.0-19.1 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 HB3 ARG 84 - HG12 ILE 89 far 0 81 0 - 7.8-20.2 HB2 LYS 85 - HG12 ILE 89 far 0 81 0 - 8.6-13.9 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 4 assignments used, quality = 1.00: * QG2 ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.2-3.2 3.2=100 QD2 LEU 86 - HG12 ILE 89 poor 13 98 45 28 3.8-11.0 ~6150=14, 4840=7...(6) QD2 LEU 29 - HG12 ILE 89 far 0 100 0 - 5.7-43.0 QD2 LEU 64 - HG12 ILE 89 far 0 100 0 - 8.8-42.3 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 4 assignments used, quality = 1.00: * HG13 ILE 89 + HG12 ILE 89 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 33 - HG12 ILE 89 far 0 100 0 - 6.9-51.4 HG3 LYS 85 - HG12 ILE 89 far 0 93 0 - 7.3-14.5 QB ALA 30 - HG12 ILE 89 far 0 99 0 - 8.4-48.1 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 poor 19 78 60 41 3.8-11.0 ~6150=24, 3631/1.8=8...(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 4 assignments used, quality = 1.00: * H ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.0-3.9 4.5=100 H ARG 27 - HG12 ILE 33 far 0 97 0 - 7.1-9.9 H LEU 57 - HG12 ILE 33 far 0 74 0 - 8.4-12.0 H GLU 25 - HG12 ILE 33 far 0 58 0 - 8.9-11.3 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 5 assignments used, quality = 1.00: * HA ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.6-4.2 4.0=100 HA LEU 29 + HG12 ILE 33 OK 78 94 95 86 4.5-7.1 5188/574=63, 3.0/5534=28...(7) HA LEU 29 - HG13 ILE 89 far 5 98 5 - 4.8-53.7 HB THR 15 - HG12 ILE 33 far 5 98 5 - 6.4-21.8 HA ILE 89 - HG12 ILE 33 far 0 98 0 - 7.8-51.1 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (1.82, 1.44, 27.16 ppm; 3.80 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 27 - HG12 ILE 33 far 0 56 0 - 6.2-9.1 HB2 LYS 85 - HG13 ILE 89 far 0 81 0 - 7.2-14.5 HB3 ARG 84 - HG13 ILE 89 far 0 81 0 - 8.1-20.5 HB ILE 89 - HG12 ILE 33 far 0 98 0 - 8.2-53.2 HB2 ARG 17 - HG12 ILE 33 far 0 86 0 - 8.3-22.3 HB2 ARG 69 - HG12 ILE 33 far 0 76 0 - 9.3-13.7 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 9 assignments used, quality = 1.00: * QG2 ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 64 + HG12 ILE 33 OK 97 97 100 99 1.9-3.8 6122/2.1=72, 5029=37...(24) QD2 LEU 86 - HG13 ILE 89 poor 20 98 20 - 3.2-10.9 QD2 LEU 29 - HG12 ILE 33 poor 13 97 25 54 4.9-7.3 5560/3.0=14, 5559/574=13...(8) QG2 ILE 89 - HG12 ILE 33 far 5 98 5 - 4.9-44.9 QD2 LEU 29 - HG13 ILE 89 far 0 100 0 - 5.2-43.4 QD2 LEU 86 - HG12 ILE 33 far 0 94 0 - 7.0-39.5 QD1 LEU 43 - HG12 ILE 33 far 0 91 0 - 9.4-12.3 QD2 LEU 64 - HG13 ILE 89 far 0 100 0 - 10.0-42.6 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 5 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 5 100 5 - 3.9-7.1 QG2 THR 37 - HG12 ILE 33 far 0 56 0 - 5.3-8.9 HG12 ILE 89 - HG12 ILE 33 far 0 98 0 - 6.9-51.4 QG2 THR 37 - HG13 ILE 89 far 0 60 0 - 8.7-38.5 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 6 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 poor 9 78 40 29 3.2-10.9 ~6150=16, 3624/1.8=9...(4) QD1 ILE 89 - HG12 ILE 33 far 5 98 5 - 5.2-44.6 QG2 ILE 68 - HG12 ILE 33 far 5 98 5 - 5.2-8.0 QD2 LEU 86 - HG12 ILE 33 far 0 74 0 - 7.0-39.5 QD1 LEU 43 - HG12 ILE 33 far 0 80 0 - 9.4-12.3 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 4 assignments used, quality = 1.00: * HA ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.0-4.1 4.2=100 HA LEU 29 - QD1 ILE 89 far 5 98 5 - 2.0-46.0 HA ARG 84 - QD1 ILE 89 far 0 92 0 - 7.1-15.1 HA ARG 82 - QD1 ILE 89 far 0 99 0 - 9.9-19.6 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.82, 0.81, 12.46 ppm; 4.30 A): 1 out of 4 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 4 81 5 - 5.3-15.7 HB2 LYS 85 - QD1 ILE 89 far 0 81 0 - 6.4-12.0 HB2 ARG 27 - QD1 ILE 89 far 0 60 0 - 8.1-45.8 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 4 assignments used, quality = 1.00: * QG2 ILE 89 + QD1 ILE 89 OK 100 100 100 100 1.9-2.4 3617=100, ~3617=8, 4.0/5268=4 QD2 LEU 86 - QD1 ILE 89 poor 20 98 20 - 2.7-9.2 QD2 LEU 29 - QD1 ILE 89 far 5 100 5 - 3.0-37.2 QD2 LEU 64 - QD1 ILE 89 far 0 100 0 - 6.9-36.7 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 3 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 32 100 50 64 2.5-6.2 3.2/5904=22, 879/4.9=18...(6) QG2 THR 37 - QD1 ILE 89 far 0 60 0 - 6.3-33.1 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 4 assignments used, quality = 1.00: * HG13 ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 33 - QD1 ILE 89 far 5 100 5 - 5.2-44.6 HG3 LYS 85 - QD1 ILE 89 far 5 93 5 - 5.1-12.6 QB ALA 30 - QD1 ILE 89 far 0 99 0 - 5.6-41.5 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 1 assignment used, quality = 1.00: * H VAL 90 + HA VAL 90 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (4.08, 4.08, 62.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 90 + HA VAL 90 OK 100 100 - 100 Peak 3641 from cnoeabs.peaks (2.02, 4.08, 62.21 ppm; 5.33 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 90 + HA VAL 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 91 + HA VAL 90 OK 75 78 100 95 4.4-5.8 3.6/419=94, ~3662=13...(5) HB2 GLU 87 - HA VAL 90 far 0 95 0 - 7.9-11.5 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 4 assignments used, quality = 1.00: * QG1 VAL 90 + HA VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 90 + HA VAL 90 OK 100 100 100 100 2.1-2.4 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 96 0 - 6.0-13.1 QD1 LEU 29 - HA VAL 90 far 0 83 0 - 8.3-49.4 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 4 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 2.2-3.2 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 97 0 - 6.0-13.1 QD1 LEU 29 - HA VAL 90 far 0 85 0 - 8.3-49.4 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 2.5-3.6 3.9=100 H ALA 12 + HB3 MET 11 OK 35 35 100 100 2.0-4.4 4.1=100 H ASN 80 - HB VAL 76 poor 14 54 25 - 4.1-10.6 H LYS 13 - HB3 MET 11 poor 13 63 20 - 2.7-7.9 H LEU 86 - HB VAL 90 far 0 100 0 - 8.9-15.3 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (4.08, 2.02, 32.55 ppm; 5.64 A): 1 out of 4 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 10 68 15 - 6.0-13.7 HA GLU 25 - HB VAL 76 far 0 60 0 - 8.6-22.2 HA ARG 26 - HB3 MET 11 far 0 63 0 - 9.9-32.4 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 8 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 5 96 5 - 4.7-14.0 QD1 LEU 29 - HB3 MET 11 far 0 47 0 - 6.0-24.8 QD1 LEU 29 - HB VAL 90 far 0 83 0 - 7.2-48.8 HG12 ILE 68 - HB VAL 76 far 0 48 0 - 8.7-19.6 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 8 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 5 97 5 - 4.7-14.0 QD1 LEU 29 - HB3 MET 11 far 0 49 0 - 6.0-24.8 QD1 LEU 29 - HB VAL 90 far 0 85 0 - 7.2-48.8 HG12 ILE 68 - HB VAL 76 far 0 46 0 - 8.7-19.6 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 2.1-4.0 4.0=100 H ASN 80 - QG1 VAL 76 poor 16 63 45 58 3.9-9.0 5.3/6022=30, 4.2/5373=10...(7) H ASN 80 - QG2 VAL 76 poor 15 60 25 - 2.5-9.5 H LEU 86 - QG1 VAL 90 far 0 100 0 - 8.2-13.9 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.7-13.9 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 10 assignments used, quality = 1.00: * HA VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 HA VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.4 3.2=100 HA ARG 71 - QG1 VAL 76 far 8 78 10 - 3.8-10.6 HA GLU 25 - QG2 VAL 76 far 0 66 0 - 5.4-19.0 HA ARG 71 - QG2 VAL 76 far 0 74 0 - 6.3-11.2 HA GLU 25 - QG1 VAL 76 far 0 69 0 - 6.5-17.3 HA ARG 26 - QG1 VAL 90 far 0 99 0 - 8.4-47.5 HA ARG 26 - QG2 VAL 76 far 0 72 0 - 9.0-22.2 HA ALA 63 - QG1 VAL 76 far 0 68 0 - 9.4-19.0 HA ALA 63 - QG2 VAL 76 far 0 64 0 - 9.8-18.9 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 24 assignments used, quality = 1.00: * HB VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG1 VAL 76 OK 46 46 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG2 VAL 76 OK 43 43 100 100 2.1-2.1 2.1=100 HB3 GLN 79 - QG2 VAL 76 poor 14 47 30 - 2.6-9.7 HD3 ARG 69 - QG2 VAL 76 poor 13 67 20 - 2.5-11.4 HB3 GLN 79 - QG1 VAL 76 poor 13 50 25 - 2.9-10.2 HD3 ARG 69 - QG1 VAL 76 far 11 71 15 - 2.0-12.4 HD2 ARG 69 - QG1 VAL 76 far 11 71 15 - 2.7-12.3 HD2 ARG 69 - QG2 VAL 76 far 10 67 15 - 2.4-11.6 HB3 GLN 91 - QG1 VAL 90 lone 8 78 55 18 3.8-5.6 3641/3.2=11, ~3662=7 HB3 GLN 91 - QG2 VAL 90 lone 7 78 50 18 3.3-7.1 3641/3.2=11, ~3662=7 HB2 GLU 87 - QG2 VAL 90 far 0 94 0 - 5.7-11.7 HB3 GLU 19 - QG2 VAL 76 far 0 55 0 - 6.1-27.2 QE MET 31 - QG1 VAL 90 far 0 60 0 - 7.3-38.8 HB2 GLU 87 - QG1 VAL 90 far 0 95 0 - 7.4-10.6 HB3 GLU 19 - QG1 VAL 76 far 0 58 0 - 7.4-26.5 HG2 PRO 44 - QG1 VAL 76 far 0 40 0 - 7.9-18.0 HG2 ARG 66 - QG1 VAL 76 far 0 75 0 - 8.0-17.0 HG2 ARG 66 - QG2 VAL 76 far 0 71 0 - 8.1-15.8 HG2 PRO 44 - QG2 VAL 76 far 0 38 0 - 8.4-19.5 HG LEU 43 - QG1 VAL 76 far 0 38 0 - 8.8-17.9 QE MET 31 - QG2 VAL 90 far 0 60 0 - 9.1-37.7 HG LEU 43 - QG2 VAL 76 far 0 36 0 - 9.1-19.9 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 + QG2 VAL 90 OK 100 100 100 100 2.1-4.0 4.0=100 H VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.0-4.0 4.0=100 H ASN 80 - QG1 VAL 76 poor 16 61 45 57 3.9-9.0 5.3/6022=29, 4.2/5373=10...(7) H ASN 80 - QG2 VAL 76 poor 14 58 25 - 2.5-9.5 H LEU 86 - QG1 VAL 90 far 0 100 0 - 8.2-13.9 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.7-13.9 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 10 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 2.2-3.2 3.2=100 HA ARG 71 - QG1 VAL 76 far 8 76 10 - 3.8-10.6 HA GLU 25 - QG2 VAL 76 far 0 63 0 - 5.4-19.0 HA ARG 71 - QG2 VAL 76 far 0 72 0 - 6.3-11.2 HA GLU 25 - QG1 VAL 76 far 0 67 0 - 6.5-17.3 HA ARG 26 - QG1 VAL 90 far 0 99 0 - 8.4-47.5 HA ARG 26 - QG2 VAL 76 far 0 70 0 - 9.0-22.2 HA ALA 63 - QG1 VAL 76 far 0 66 0 - 9.4-19.0 HA ALA 63 - QG2 VAL 76 far 0 62 0 - 9.8-18.9 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 24 assignments used, quality = 1.00: * HB VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG1 VAL 76 OK 44 44 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG2 VAL 76 OK 42 42 100 100 2.1-2.1 2.1=100 HB3 GLN 79 - QG2 VAL 76 poor 14 45 30 - 2.6-9.7 HD3 ARG 69 - QG2 VAL 76 poor 13 65 20 - 2.5-11.4 HB3 GLN 79 - QG1 VAL 76 poor 12 48 25 - 2.9-10.2 HD3 ARG 69 - QG1 VAL 76 far 10 68 15 - 2.0-12.4 HD2 ARG 69 - QG1 VAL 76 far 10 68 15 - 2.7-12.3 HD2 ARG 69 - QG2 VAL 76 far 10 65 15 - 2.4-11.6 HB3 GLN 91 - QG1 VAL 90 lone 8 78 55 18 3.8-5.6 3641/3.2=11, ~3662=7 HB3 GLN 91 - QG2 VAL 90 lone 7 78 50 18 3.3-7.1 3641/3.2=11, ~3662=7 HB2 GLU 87 - QG2 VAL 90 far 0 95 0 - 5.7-11.7 HB3 GLU 19 - QG2 VAL 76 far 0 53 0 - 6.1-27.2 QE MET 31 - QG1 VAL 90 far 0 60 0 - 7.3-38.8 HB2 GLU 87 - QG1 VAL 90 far 0 94 0 - 7.4-10.6 HB3 GLU 19 - QG1 VAL 76 far 0 56 0 - 7.4-26.5 HG2 PRO 44 - QG1 VAL 76 far 0 38 0 - 7.9-18.0 HG2 ARG 66 - QG1 VAL 76 far 0 73 0 - 8.0-17.0 HG2 ARG 66 - QG2 VAL 76 far 0 69 0 - 8.1-15.8 HG2 PRO 44 - QG2 VAL 76 far 0 36 0 - 8.4-19.5 HG LEU 43 - QG1 VAL 76 far 0 37 0 - 8.8-17.9 QE MET 31 - QG2 VAL 90 far 0 60 0 - 9.1-37.7 HG LEU 43 - QG2 VAL 76 far 0 34 0 - 9.1-19.9 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 54 54 - 100 QG2 VAL 76 + QG2 VAL 76 OK 51 51 - 100 Reference assignment not found: QG1 VAL 90 - QG2 VAL 90 Peak 3658 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 52 52 - 100 QG2 VAL 76 + QG2 VAL 76 OK 49 49 - 100 Peak 3659 from cnoeabs.peaks (8.03, 4.13, 57.16 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 91 + HA GLN 91 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3660 from cnoeabs.peaks (4.13, 4.13, 57.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 91 + HA GLN 91 OK 100 100 - 100 Peak 3661 from cnoeabs.peaks (1.90, 4.13, 57.16 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 91 + HA GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 34 - HA GLN 91 far 0 76 0 - 8.5-56.7 HB3 GLU 87 - HA GLN 91 far 0 97 0 - 8.7-15.0 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 40 78 75 68 4.7-6.1 ~419=39, ~4044=38...(5) HG2 PRO 56 - HA GLN 91 far 0 100 0 - 9.0-56.1 HB2 GLU 87 - HA GLN 91 far 0 98 0 - 9.5-14.4 HB3 PRO 56 - HA GLN 91 far 0 98 0 - 10.0-56.4 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 2.2-3.8 3.6=100 H GLN 91 - HB3 GLU 87 far 0 89 0 - 9.8-13.7 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 11 assignments used, quality = 1.00: * HA GLN 91 + HB2 GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB THR 88 - HB3 GLU 87 far 12 78 15 - 5.0-7.5 HA LEU 29 - HB2 GLU 19 far 1 29 5 - 4.6-20.4 HB THR 88 - HB2 GLN 91 far 0 93 0 - 5.7-12.1 HA ALA 30 - HB2 GLU 19 far 0 54 0 - 7.1-20.7 HA ARG 23 - HB2 GLU 19 far 0 52 0 - 7.7-14.4 HA GLN 91 - HB3 PRO 34 far 0 71 0 - 8.5-56.7 HA LEU 29 - HB3 PRO 34 far 0 39 0 - 8.6-11.4 HA GLN 91 - HB3 GLU 87 far 0 89 0 - 8.7-15.0 HA LEU 29 - HB3 GLU 87 far 0 52 0 - 9.2-49.8 HA ARG 27 - HB2 GLU 19 far 0 41 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 3669 from cnoeabs.peaks (1.90, 1.90, 30.42 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 91 + HB2 GLN 91 OK 100 100 - 100 HB3 GLU 87 + HB3 GLU 87 OK 82 82 - 100 HB2 GLU 19 + HB2 GLU 19 OK 47 47 - 100 HB3 PRO 34 + HB3 PRO 34 OK 46 46 - 100 Peak 3670 from cnoeabs.peaks (2.04, 1.90, 30.42 ppm; 2.40 A): 3 out of 11 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 HG2 PRO 56 - HB3 PRO 34 far 4 70 5 - 3.2-7.8 HB3 GLU 25 - HB2 GLU 19 far 0 46 0 - 4.3-15.2 HB VAL 90 - HB2 GLN 91 far 0 78 0 - 4.8-7.5 HB2 GLU 25 - HB2 GLU 19 far 0 47 0 - 5.0-13.7 HB3 PRO 56 - HB3 PRO 34 far 0 67 0 - 6.1-8.8 HB VAL 90 - HB3 GLU 87 far 0 63 0 - 7.3-12.1 HB VAL 76 - HB2 GLU 19 far 0 54 0 - 8.1-33.1 HB3 MET 31 - HB3 PRO 34 far 0 34 0 - 8.6-11.0 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 lone 6 80 50 15 4.8-6.9 ~1213=5, 3.0/1219=3...(5) HA LEU 29 - HB3 GLU 19 far 2 34 5 - 6.0-21.1 HB THR 88 - HB3 GLN 91 far 0 93 0 - 6.8-12.2 HA ALA 30 - HB3 GLU 19 far 0 62 0 - 7.9-21.4 HA ARG 23 - HB3 GLU 19 far 0 60 0 - 8.8-14.3 HA LEU 29 - HB2 GLU 87 far 0 54 0 - 9.3-49.1 HA GLN 91 - HB2 GLU 87 far 0 91 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3677 from cnoeabs.peaks (1.90, 2.04, 30.42 ppm; 2.40 A): 3 out of 8 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 PRO 14 - HB3 GLU 19 far 0 57 0 - 7.4-19.5 HB3 ARG 26 - HB3 GLU 19 far 0 51 0 - 7.7-16.6 HB2 ARG 26 - HB3 GLU 19 far 0 49 0 - 8.0-14.9 HG12 ILE 40 - HB3 GLU 19 far 0 59 0 - 9.0-23.4 HG13 ILE 68 - HB3 GLU 19 far 0 34 0 - 9.4-21.7 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (2.04, 2.04, 30.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 91 + HB3 GLN 91 OK 100 100 - 100 HB2 GLU 87 + HB2 GLU 87 OK 86 86 - 100 HB3 GLU 19 + HB3 GLU 19 OK 62 62 - 100 Peak 3699 from cnoeabs.peaks (8.24, 4.38, 55.13 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3704 from cnoeabs.peaks (8.27, 4.26, 52.27 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + HA ALA 12 OK 100 100 100 100 2.1-2.8 8=100, 471/3464=4 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 2 assignments used, quality = 1.00: * H LYS 13 + QB ALA 12 OK 100 100 100 100 2.0-3.7 3.6=100 H LYS 13 - QB ALA 16 far 3 65 5 - 4.7-10.1 Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (8.20, 4.45, 63.04 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H THR 15 + HA PRO 14 OK 100 100 100 100 2.1-3.4 3.6=100 H ARG 27 - HA PRO 14 far 0 68 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (8.36, 4.25, 61.70 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 16 + HA THR 15 OK 100 100 100 100 2.1-3.5 3.6=100 H ARG 17 - HA THR 15 poor 19 76 25 - 3.5-7.0 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 2.1-4.3 4.2=100 H ARG 17 - QG2 THR 15 lone 4 76 100 5 3.5-7.3 5332/2.1=2 Violated in 0 structures by 0.00 A. Peak 3716 from cnoeabs.peaks (8.38, 4.31, 52.27 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 17 + HA ALA 16 OK 100 100 100 100 2.1-3.4 3.6=100 H ALA 16 + HA ALA 16 OK 76 76 100 100 2.8-2.9 2.9=100 H GLY 18 - HA ALA 16 poor 10 73 30 44 3.8-6.7 4.7/22=38, 3726/2.1=4...(4) H GLY 21 - HA ALA 16 far 0 98 0 - 7.8-16.7 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 15 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 2.1-2.8 2.9=100 H GLY 21 + QB ALA 20 OK 51 51 100 100 2.0-3.7 3.6=100 H GLY 18 - QB ALA 16 poor 15 73 65 31 2.4-6.1 3.6/5486=26, 3716/2.1=4 H GLY 21 - QB ALA 16 far 10 98 10 - 4.7-14.2 H ARG 17 - QB ALA 20 far 5 55 10 - 4.9-11.3 H GLY 18 - QB ALA 20 far 3 33 10 - 4.4-8.8 H ALA 16 - QB ALA 20 far 2 35 5 - 4.7-14.1 H ALA 16 - QB ALA 12 far 0 42 0 - 5.9-10.9 H GLY 18 - QB ALA 12 far 0 41 0 - 7.0-16.8 H GLY 21 - QB ALA 12 far 0 61 0 - 7.4-25.5 H ARG 17 - QB ALA 12 far 0 65 0 - 7.7-14.1 H GLY 21 - QB ALA 77 far 0 59 0 - 8.9-25.0 H GLY 18 - QB ALA 77 far 0 39 0 - 8.9-27.7 H VAL 65 - QB ALA 20 far 0 53 0 - 9.7-18.8 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 8 assignments used, quality = 1.00: * H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.2-3.6 3.6=100 H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.1-3.5 3.6=100 H ASP 24 - HA3 GLY 21 far 6 58 10 - 3.3-8.8 H ASP 24 - HA2 GLY 21 far 6 56 10 - 4.5-8.9 H GLU 19 - HA3 GLY 21 far 3 67 5 - 5.6-9.0 H GLU 19 - HA2 GLY 21 far 0 65 0 - 6.3-9.1 H ASP 24 - HA3 GLY 18 far 0 93 0 - 8.5-16.8 H ASP 24 - HA2 GLY 18 far 0 93 0 - 9.6-17.4 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 8 assignments used, quality = 1.00: * H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.1-3.5 3.6=100 H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.2-3.6 3.6=100 H ASP 24 - HA3 GLY 21 far 6 60 10 - 3.3-8.8 H ASP 24 - HA2 GLY 21 far 6 58 10 - 4.5-8.9 H GLU 19 - HA3 GLY 21 far 3 70 5 - 5.6-9.0 H GLU 19 - HA2 GLY 21 far 0 67 0 - 6.3-9.1 H ASP 24 - HA3 GLY 18 far 0 93 0 - 8.5-16.8 H ASP 24 - HA2 GLY 18 far 0 93 0 - 9.6-17.4 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 2.2-3.6 3.6=100 H GLU 87 - HA LYS 85 poor 5 26 20 - 4.8-6.6 H ALA 20 - HA ARG 17 far 0 80 0 - 6.0-10.1 H GLU 87 - HA LYS 83 far 0 50 0 - 9.6-12.9 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 5 assignments used, quality = 1.00: * H ALA 20 + HB2 GLU 19 OK 100 100 100 100 2.2-4.6 4.6=100 H GLU 87 + HB3 GLU 87 OK 50 50 100 100 2.5-3.7 4.0=100 H ALA 20 - HB3 ARG 26 far 6 59 10 - 5.5-14.3 H GLU 87 - HB3 ARG 26 far 0 29 0 - 8.7-49.2 H GLU 87 - HB2 GLN 91 far 0 26 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (8.45, 2.04, 30.05 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 20 + HB3 GLU 19 OK 100 100 100 100 2.0-4.4 4.6=100 H GLU 87 + HB2 GLU 87 OK 48 48 100 100 2.2-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 3724 from cnoeabs.peaks (8.45, 2.23, 36.01 ppm; 5.62 A): 4 out of 6 assignments used, quality = 1.00: H ALA 20 + HG2 GLU 19 OK 99 100 100 99 2.1-5.2 29/3.0=75, 30=48...(14) * H ALA 20 + HG3 GLU 19 OK 99 100 100 99 2.8-6.0 29/3.0=75, 30=48...(14) H GLU 87 + HG3 GLU 87 OK 50 50 100 100 2.6-4.7 4.8=100 H GLU 87 + HG2 GLU 87 OK 49 49 100 100 2.0-4.6 4.8=100 H ALA 20 - HG2 GLU 25 poor 11 62 50 35 3.3-11.4 ~5512=9, ~4167=7...(6) H ILE 68 - HG2 GLU 25 far 0 52 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (8.39, 4.26, 52.94 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 21 + HA ALA 20 OK 100 100 100 100 2.2-3.6 3.6=100 H GLY 18 - HA ALA 20 far 0 92 0 - 5.7-9.1 H ARG 17 - HA ALA 20 far 0 98 0 - 7.1-12.1 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 12 assignments used, quality = 1.00: * H GLY 21 + QB ALA 20 OK 100 100 100 100 2.0-3.7 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 13 45 90 31 2.4-6.1 3.6/5486=25, 3716/2.1=4 H ARG 17 - QB ALA 20 far 10 98 10 - 4.9-11.3 H GLY 21 - QB ALA 16 far 8 55 15 - 4.7-14.2 H GLY 21 - QB ALA 78 far 5 96 5 - 4.6-25.2 H GLY 18 - QB ALA 20 lone 3 92 25 15 4.4-8.8 4822/4.5=12, 3.0/4149=1 H GLY 18 - QB ALA 78 far 0 85 0 - 7.8-28.6 H GLY 21 - QB ALA 77 far 0 100 0 - 8.9-25.0 H GLY 18 - QB ALA 77 far 0 91 0 - 8.9-27.7 H VAL 65 - QB ALA 20 far 0 100 0 - 9.7-18.8 H ARG 17 - QB ALA 78 far 0 92 0 - 10.0-30.5 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 23 assignments used, quality = 1.00: * H SER 22 + HA2 GLY 21 OK 100 100 100 100 2.2-3.6 3.5=100 H SER 22 + HA3 GLY 21 OK 100 100 100 100 2.1-3.6 3.5=100 H GLU 25 - HA2 GLY 21 far 15 97 15 - 5.3-7.5 H GLU 25 - HA3 GLY 21 poor 6 97 25 25 4.5-7.6 523/5284=9, 4.0/4151=8...(4) H GLN 79 - HA2 GLY 21 far 5 100 5 - 3.7-31.5 H GLN 79 - HA3 GLY 21 far 5 100 5 - 3.6-32.3 H SER 22 - HA3 GLY 18 far 3 67 5 - 5.3-12.8 H THR 15 - HA3 GLY 18 far 0 65 0 - 5.6-13.1 H ALA 77 - HA3 GLY 21 far 0 92 0 - 6.0-26.8 H ALA 28 - HA3 GLY 21 far 0 100 0 - 6.4-12.0 H GLU 25 - HA3 GLY 18 far 0 62 0 - 6.5-15.9 H ALA 77 - HA2 GLY 21 far 0 92 0 - 6.7-27.4 H SER 22 - HA2 GLY 18 far 0 65 0 - 6.9-13.6 H THR 15 - HA2 GLY 18 far 0 62 0 - 7.2-13.3 H ALA 28 - HA3 GLY 18 far 0 67 0 - 7.5-17.1 H ALA 28 - HA2 GLY 21 far 0 100 0 - 7.7-11.8 H ALA 77 - HA2 GLY 18 far 0 54 0 - 7.7-31.2 H GLU 25 - HA2 GLY 18 far 0 60 0 - 7.8-15.9 H ALA 28 - HA2 GLY 18 far 0 65 0 - 8.8-17.5 H GLN 79 - HA2 GLY 18 far 0 64 0 - 9.0-34.9 H ARG 84 - HA2 GLY 21 far 0 96 0 - 9.0-39.3 H ALA 77 - HA3 GLY 18 far 0 56 0 - 9.3-30.9 H ARG 84 - HA3 GLY 21 far 0 96 0 - 9.4-38.7 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 23 assignments used, quality = 1.00: * H SER 22 + HA3 GLY 21 OK 100 100 100 100 2.1-3.6 3.5=100 H SER 22 + HA2 GLY 21 OK 100 100 100 100 2.2-3.6 3.5=100 H GLU 25 - HA2 GLY 21 far 15 97 15 - 5.3-7.5 H GLU 25 - HA3 GLY 21 poor 6 97 25 25 4.5-7.6 523/5284=9, 4.0/4151=8...(4) H GLN 79 - HA3 GLY 21 far 5 100 5 - 3.6-32.3 H GLN 79 - HA2 GLY 21 far 5 100 5 - 3.7-31.5 H SER 22 - HA3 GLY 18 far 3 70 5 - 5.3-12.8 H THR 15 - HA3 GLY 18 far 0 67 0 - 5.6-13.1 H ALA 77 - HA3 GLY 21 far 0 92 0 - 6.0-26.8 H ALA 28 - HA3 GLY 21 far 0 100 0 - 6.4-12.0 H GLU 25 - HA3 GLY 18 far 0 65 0 - 6.5-15.9 H ALA 77 - HA2 GLY 21 far 0 92 0 - 6.7-27.4 H SER 22 - HA2 GLY 18 far 0 67 0 - 6.9-13.6 H THR 15 - HA2 GLY 18 far 0 65 0 - 7.2-13.3 H ALA 28 - HA3 GLY 18 far 0 69 0 - 7.5-17.1 H ALA 28 - HA2 GLY 21 far 0 100 0 - 7.7-11.8 H ALA 77 - HA2 GLY 18 far 0 56 0 - 7.7-31.2 H GLU 25 - HA2 GLY 18 far 0 62 0 - 7.8-15.9 H ALA 28 - HA2 GLY 18 far 0 67 0 - 8.8-17.5 H GLN 79 - HA2 GLY 18 far 0 66 0 - 9.0-34.9 H ARG 84 - HA2 GLY 21 far 0 96 0 - 9.0-39.3 H ALA 77 - HA3 GLY 18 far 0 58 0 - 9.3-30.9 H ARG 84 - HA3 GLY 21 far 0 96 0 - 9.4-38.7 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (8.49, 4.45, 58.33 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + HA SER 22 OK 100 100 100 100 2.3-3.5 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 2.5-3.9 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 2.0-4.0 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 6 assignments used, quality = 1.00: * H ASP 24 + HA ARG 23 OK 100 100 100 100 3.4-3.6 3.6=100 H ASP 24 - HA ARG 27 far 0 74 0 - 7.1-8.3 H ALA 16 - HA ARG 27 far 0 61 0 - 9.2-21.9 H GLU 19 - HA ARG 23 far 0 93 0 - 9.4-14.4 H GLU 19 - HA ARG 27 far 0 64 0 - 9.8-16.4 H ALA 16 - HA ARG 23 far 0 90 0 - 9.9-23.8 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 11 assignments used, quality = 1.00: * H ASP 24 + HB2 ARG 23 OK 100 100 100 100 2.3-4.1 4.2=100 H ASP 24 + HB3 ARG 23 OK 100 100 100 100 2.3-3.9 4.2=100 H ASP 24 + HB2 ARG 27 OK 50 83 80 76 4.7-7.6 3.0/4157=25, ~4157=16...(13) H ASP 24 - HB3 ARG 71 far 12 78 15 - 4.2-12.3 H ASP 24 - HB3 ARG 27 far 8 82 10 - 5.6-8.3 H ASP 24 - HB2 ARG 71 far 8 79 10 - 5.6-11.5 H GLU 19 - HB3 ARG 71 far 0 68 0 - 6.4-23.5 H GLU 19 - HB2 ARG 71 far 0 68 0 - 8.1-22.2 H GLU 19 - HB3 ARG 23 far 0 93 0 - 9.1-16.5 H ALA 16 - HB3 ARG 71 far 0 64 0 - 9.6-31.8 H GLU 19 - HB2 ARG 27 far 0 72 0 - 9.6-17.6 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 11 assignments used, quality = 1.00: * H ASP 24 + HB3 ARG 23 OK 100 100 100 100 2.3-3.9 4.2=100 H ASP 24 + HB2 ARG 23 OK 100 100 100 100 2.3-4.1 4.2=100 H ASP 24 + HB2 ARG 27 OK 51 83 80 76 4.7-7.6 3.0/4157=25, ~4157=16...(13) H ASP 24 - HB3 ARG 71 far 12 79 15 - 4.2-12.3 H ASP 24 - HB3 ARG 27 far 8 83 10 - 5.6-8.3 H ASP 24 - HB2 ARG 71 far 8 79 10 - 5.6-11.5 H GLU 19 - HB3 ARG 71 far 0 68 0 - 6.4-23.5 H GLU 19 - HB2 ARG 71 far 0 69 0 - 8.1-22.2 H GLU 19 - HB3 ARG 23 far 0 93 0 - 9.1-16.5 H ALA 16 - HB3 ARG 71 far 0 65 0 - 9.6-31.8 H GLU 19 - HB2 ARG 27 far 0 73 0 - 9.6-17.6 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 ALA 28 + HA ASP 24 OK 71 96 90 83 4.2-6.0 6057=40, 4.6/5383=33...(11) H ARG 27 + HA ASP 24 OK 69 76 100 91 3.3-4.1 5383=53, 5380/4169=30...(12) H SER 22 - HA ASP 24 far 0 97 0 - 6.6-7.4 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 6 assignments used, quality = 1.00: * H GLU 25 + HB2 ASP 24 OK 100 100 100 100 2.9-3.9 4.5=100 H ALA 28 + HB2 ASP 24 OK 76 96 90 88 4.8-6.6 6057/3.0=60, 2.9/5533=30...(9) H ARG 27 + HB2 ASP 24 OK 62 76 100 82 4.7-6.0 5383/3.0=56, 903/517=17...(10) H SER 22 - HB2 ASP 24 far 15 97 15 - 5.3-7.9 H GLN 79 - HB2 ASP 24 far 0 92 0 - 9.0-22.8 H ALA 77 - HB2 ASP 24 far 0 71 0 - 9.7-20.4 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (8.20, 2.59, 40.55 ppm; 4.87 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 25 + HB3 ASP 24 OK 100 100 100 100 2.9-3.9 4.5=100 H ARG 27 + HB3 ASP 24 OK 60 76 100 79 5.6-6.2 5383/3.0=58, 903/518=18...(10) H ALA 28 + HB3 ASP 24 OK 24 96 30 85 5.7-7.3 6057/3.0=63, ~5533=24...(10) H SER 22 - HB3 ASP 24 poor 17 97 65 27 5.1-7.5 903/518=21, 5107/4835=4 H GLN 79 - HB3 ASP 24 far 0 92 0 - 7.7-23.9 H ALA 77 - HB3 ASP 24 far 0 71 0 - 9.3-20.9 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (8.13, 4.09, 58.48 ppm; 3.36 A): 4 out of 10 assignments used, quality = 1.00: * H ARG 26 + HA GLU 25 OK 98 100 100 98 3.5-3.6 3.6=84, 904/2.9=45...(15) H ARG 26 + HA ARG 26 OK 79 79 100 100 2.7-2.8 3.0=100 H ARG 71 + HA ARG 71 OK 61 61 100 100 2.8-2.9 2.9=100 H ASN 74 + HA ARG 71 OK 33 70 75 62 3.3-7.2 4.0/16010=23...(6) H ARG 26 - HA ARG 27 far 0 56 0 - 5.2-5.4 H ALA 78 - HA ARG 71 far 0 78 0 - 6.6-17.8 H LYS 85 - HA ARG 26 far 0 47 0 - 7.1-43.4 H THR 88 - HA ARG 26 far 0 79 0 - 8.1-50.2 H LYS 85 - HA GLU 25 far 0 68 0 - 8.4-38.6 H ARG 71 - HA GLU 25 far 0 71 0 - 9.9-14.0 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 6 assignments used, quality = 1.00: * H ARG 26 + HB2 GLU 25 OK 99 100 100 99 2.2-4.1 4.7=58, 58/3.0=47...(18) H ARG 26 + HB3 GLU 25 OK 99 100 100 99 2.2-3.6 4.7=58, 58/3.0=47...(18) H LEU 57 + HB3 PRO 56 OK 40 40 100 99 3.8-4.6 4.0=94, 218/2.3=72...(7) H LYS 85 - HB3 GLU 25 far 0 68 0 - 5.9-39.6 H LYS 85 - HB2 GLU 25 far 0 68 0 - 6.8-39.7 H THR 88 - HB3 GLU 25 far 0 100 0 - 9.9-48.6 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 6 assignments used, quality = 1.00: H ARG 26 + HB2 GLU 25 OK 99 100 100 99 2.2-4.1 4.7=58, 58/3.0=47...(18) * H ARG 26 + HB3 GLU 25 OK 99 100 100 99 2.2-3.6 4.7=58, 58/3.0=47...(18) H LEU 57 + HB3 PRO 56 OK 39 39 100 99 3.8-4.6 4.0=94, 218/2.3=72...(7) H LYS 85 - HB3 GLU 25 far 0 68 0 - 5.9-39.6 H LYS 85 - HB2 GLU 25 far 0 68 0 - 6.8-39.7 H THR 88 - HB3 GLU 25 far 0 100 0 - 9.9-48.6 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 4 assignments used, quality = 1.00: * H ARG 26 + HG3 GLU 25 OK 100 100 100 100 4.0-5.4 58/1.8=96, 3.6/1333=85...(14) H LYS 85 - HG3 GLU 25 far 0 68 0 - 7.1-38.0 H ALA 78 - HG3 GLU 25 far 0 89 0 - 8.3-26.6 H LEU 57 - HG3 GLU 59 far 0 57 0 - 8.9-11.5 Violated in 1 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (8.18, 4.07, 58.59 ppm; 4.06 A): 5 out of 12 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 3.7-4.6 5380/3.6=67, 61=41...(11) H GLU 25 + HA ARG 26 OK 60 76 100 79 4.9-5.5 904/3.0=48, 4833/3.0=17...(9) H GLU 25 + HA GLU 25 OK 53 53 100 100 2.8-2.9 2.9=100 H ASN 74 + HA ARG 71 OK 34 56 80 77 3.3-7.2 4.0/16010=38...(6) H THR 15 - HA ARG 26 far 0 68 0 - 8.0-22.4 H GLU 25 - HA ARG 71 far 0 63 0 - 8.2-14.7 H THR 15 - HA ARG 71 far 0 56 0 - 8.4-34.6 H ARG 84 - HA GLU 25 far 0 57 0 - 8.5-35.3 H ARG 84 - HA ARG 26 far 0 81 0 - 9.0-40.0 H ARG 84 - HA ARG 71 far 0 67 0 - 9.2-30.3 H ARG 27 - HA ARG 71 far 0 90 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (8.18, 1.88, 29.99 ppm; 3.59 A): 5 out of 23 assignments used, quality = 1.00: * H ARG 27 + HB2 ARG 26 OK 95 100 100 95 2.5-3.8 5380/3.9=48, 4.6=47...(17) H ARG 27 + HB3 ARG 26 OK 95 100 100 95 3.1-4.1 5380/3.9=48, 4.6=47...(16) H ARG 27 + HB3 ARG 27 OK 55 56 100 97 2.6-3.6 4.1=69, 535/1.8=27...(20) H ARG 27 + HB2 ARG 27 OK 52 54 100 97 2.1-3.6 4.1=69, 535/1.8=27...(21) H GLU 25 + HB2 ARG 26 OK 35 76 80 58 4.2-6.4 904/3.9=30, 4833=16...(8) H GLU 25 - HB2 ARG 27 poor 19 34 55 - 4.4-7.0 H ASN 74 - HB3 ARG 71 poor 6 30 20 - 4.6-9.0 H GLU 25 - HB3 ARG 26 far 4 76 5 - 5.0-6.5 H ILE 89 - HB3 GLU 87 far 2 45 5 - 4.2-7.8 H GLU 25 - HB3 ARG 27 far 2 36 5 - 5.1-7.1 H ASN 74 - HB2 ARG 71 far 1 28 5 - 5.0-8.9 H GLU 25 - HB3 ARG 71 far 0 34 0 - 5.8-13.5 H GLU 25 - HB2 ARG 71 far 0 32 0 - 6.9-12.7 H ARG 27 - HB3 ARG 71 far 0 54 0 - 7.4-13.3 H ARG 84 - HB3 GLU 87 far 0 31 0 - 7.8-13.7 H ARG 27 - HB2 ARG 71 far 0 51 0 - 8.2-12.3 H THR 15 - HB3 ARG 71 far 0 30 0 - 8.2-33.9 H THR 15 - HB3 ARG 26 far 0 68 0 - 8.8-24.4 H ASN 74 - HB2 ARG 66 far 0 67 0 - 9.0-13.4 H THR 15 - HB2 ARG 71 far 0 28 0 - 9.1-32.8 H ARG 84 - HB2 ARG 26 far 0 81 0 - 9.5-41.6 H THR 15 - HB2 ARG 26 far 0 68 0 - 9.5-25.4 H ARG 84 - HB2 ARG 66 far 0 79 0 - 9.9-33.5 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 13 assignments used, quality = 1.00: * H ALA 28 + HA ARG 27 OK 98 100 100 98 3.4-3.6 3.6=91, 71/3.0=27...(12) H GLU 25 + HA GLU 25 OK 50 50 100 100 2.8-2.9 2.9=100 H ALA 28 + HA GLU 25 OK 46 56 100 82 3.2-3.9 69=32, 2.9/4181=25...(14) H GLU 25 + HA ARG 23 OK 35 67 100 53 3.7-4.7 50/3.6=33, 904/5345=12...(8) H SER 22 - HA ARG 23 lone 5 74 40 18 4.8-5.8 903/3.6=10, 2.9/5503=6 H SER 22 - HA GLU 25 far 3 56 5 - 4.9-7.2 H ALA 28 - HA ARG 23 far 0 74 0 - 6.2-8.1 H GLU 25 - HA ARG 27 far 0 96 0 - 6.4-7.1 H ARG 84 - HA GLU 25 far 0 47 0 - 8.5-35.3 H SER 22 - HA ARG 27 far 0 100 0 - 8.6-11.1 H GLN 79 - HA GLU 25 far 0 55 0 - 9.4-25.5 H THR 15 - HA ARG 27 far 0 98 0 - 9.6-24.1 H GLN 79 - HA ARG 23 far 0 74 0 - 9.9-27.4 Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 5 out of 39 assignments used, quality = 1.00: H ALA 28 + HB3 ARG 27 OK 96 100 100 96 2.3-4.2 4.3=59, 70/1.8=39...(16) * H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.6-3.8 4.3=59, 71/1.8=39...(17) H GLU 25 + HB2 ARG 26 OK 25 48 85 62 4.2-6.4 904/3.9=39, 4833=15...(7) H GLU 25 + HB2 ARG 27 OK 24 96 60 41 4.4-7.0 3.6/4157=16, 4833=7...(10) H GLU 25 + HB2 ARG 23 OK 21 75 50 55 4.5-5.8 50/4.2=32, 3754/3.0=9...(7) H ALA 28 - HB2 ARG 26 poor 16 54 30 - 4.8-5.7 H GLU 25 - HB3 ARG 23 poor 15 76 35 58 4.5-5.7 50/4.2=32, 3.6/4157=11...(7) H SER 22 - HB2 ARG 23 far 8 83 10 - 4.6-7.4 H ALA 28 - HB3 ARG 26 far 8 52 15 - 5.0-6.0 H SER 22 - HB2 ARG 26 far 5 54 10 - 4.6-9.4 H GLU 25 - HB3 ARG 27 far 5 96 5 - 5.1-7.1 H SER 22 - HB3 ARG 23 far 4 83 5 - 5.0-7.6 H SER 22 - HB3 ARG 26 far 3 52 5 - 4.6-9.4 H GLU 25 - HB3 ARG 26 far 2 46 5 - 5.0-6.5 H GLU 25 - HB3 ARG 71 far 0 95 0 - 5.8-13.5 H GLU 25 - HB2 ARG 71 far 0 95 0 - 6.9-12.7 H ALA 77 - HB3 ARG 71 far 0 94 0 - 7.0-15.0 H ALA 77 - HB2 ARG 71 far 0 94 0 - 7.0-15.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.2-9.4 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.9-10.3 H ALA 28 - HB2 ARG 23 far 0 83 0 - 7.9-9.9 H GLN 79 - HB2 ARG 66 far 0 58 0 - 7.9-23.4 H ALA 28 - HB3 ARG 71 far 0 100 0 - 7.9-13.3 H THR 15 - HB3 ARG 71 far 0 98 0 - 8.2-33.9 H ALA 28 - HB2 ARG 71 far 0 100 0 - 8.4-12.1 H SER 22 - HB3 ARG 71 far 0 100 0 - 8.4-16.6 H ALA 77 - HB2 ARG 66 far 0 51 0 - 8.5-19.8 H SER 22 - HB3 ARG 27 far 0 100 0 - 8.6-10.7 H ALA 12 - HB3 ARG 26 far 0 29 0 - 8.6-33.5 H GLN 79 - HB3 ARG 23 far 0 83 0 - 8.8-25.7 H THR 15 - HB3 ARG 26 far 0 48 0 - 8.8-24.4 H THR 15 - HB2 ARG 71 far 0 98 0 - 9.1-32.8 H SER 22 - HB2 ARG 71 far 0 100 0 - 9.2-15.9 H GLN 79 - HB3 ARG 71 far 0 100 0 - 9.2-19.5 H GLN 79 - HB2 ARG 23 far 0 82 0 - 9.3-26.4 H ARG 84 - HB2 ARG 26 far 0 46 0 - 9.5-41.6 H THR 15 - HB2 ARG 26 far 0 51 0 - 9.5-25.4 H ARG 84 - HB2 ARG 66 far 0 50 0 - 9.9-33.5 H ALA 12 - HB2 ARG 26 far 0 30 0 - 10.0-34.7 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 5 out of 39 assignments used, quality = 1.00: * H ALA 28 + HB3 ARG 27 OK 96 100 100 96 2.3-4.2 4.3=59, 70/1.8=39...(16) H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.6-3.8 4.3=59, 71/1.8=39...(17) H GLU 25 + HB2 ARG 26 OK 27 50 85 62 4.2-6.4 904/3.9=39, 4833=15...(7) H GLU 25 + HB2 ARG 27 OK 24 96 60 42 4.4-7.0 3.6/4157=16, 4833=7...(10) H GLU 25 + HB2 ARG 23 OK 21 74 50 55 4.5-5.8 50/4.2=32, 3754/3.0=9...(7) H ALA 28 - HB2 ARG 26 poor 17 56 30 - 4.8-5.7 H GLU 25 - HB3 ARG 23 poor 15 75 35 58 4.5-5.7 50/4.2=32, 3.6/4157=11...(7) H SER 22 - HB2 ARG 23 far 8 82 10 - 4.6-7.4 H ALA 28 - HB3 ARG 26 far 8 54 15 - 5.0-6.0 H SER 22 - HB2 ARG 26 far 6 56 10 - 4.6-9.4 H GLU 25 - HB3 ARG 27 far 5 96 5 - 5.1-7.1 H SER 22 - HB3 ARG 23 far 4 83 5 - 5.0-7.6 H SER 22 - HB3 ARG 26 far 3 54 5 - 4.6-9.4 H GLU 25 - HB3 ARG 26 far 2 48 5 - 5.0-6.5 H GLU 25 - HB3 ARG 71 far 0 95 0 - 5.8-13.5 H GLU 25 - HB2 ARG 71 far 0 95 0 - 6.9-12.7 H ALA 77 - HB3 ARG 71 far 0 94 0 - 7.0-15.0 H ALA 77 - HB2 ARG 71 far 0 94 0 - 7.0-15.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.2-9.4 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.9-10.3 H ALA 28 - HB2 ARG 23 far 0 82 0 - 7.9-9.9 H GLN 79 - HB2 ARG 66 far 0 60 0 - 7.9-23.4 H ALA 28 - HB3 ARG 71 far 0 100 0 - 7.9-13.3 H THR 15 - HB3 ARG 71 far 0 98 0 - 8.2-33.9 H ALA 28 - HB2 ARG 71 far 0 100 0 - 8.4-12.1 H SER 22 - HB3 ARG 71 far 0 100 0 - 8.4-16.6 H ALA 77 - HB2 ARG 66 far 0 53 0 - 8.5-19.8 H SER 22 - HB3 ARG 27 far 0 100 0 - 8.6-10.7 H ALA 12 - HB3 ARG 26 far 0 30 0 - 8.6-33.5 H GLN 79 - HB3 ARG 23 far 0 82 0 - 8.8-25.7 H THR 15 - HB3 ARG 26 far 0 51 0 - 8.8-24.4 H THR 15 - HB2 ARG 71 far 0 98 0 - 9.1-32.8 H SER 22 - HB2 ARG 71 far 0 100 0 - 9.2-15.9 H GLN 79 - HB3 ARG 71 far 0 100 0 - 9.2-19.5 H GLN 79 - HB2 ARG 23 far 0 82 0 - 9.3-26.4 H ARG 84 - HB2 ARG 26 far 0 48 0 - 9.5-41.6 H THR 15 - HB2 ARG 26 far 0 53 0 - 9.5-25.4 H ARG 84 - HB2 ARG 66 far 0 52 0 - 9.9-33.5 H ALA 12 - HB2 ARG 26 far 0 32 0 - 10.0-34.7 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 21 assignments used, quality = 1.00: * H ALA 28 + HG2 ARG 27 OK 97 100 100 97 2.8-5.2 72=46, 69/3.8=43...(15) H ALA 28 + HG3 ARG 27 OK 97 100 100 97 2.2-5.4 73=46, 69/3.8=43...(15) H GLU 25 + HG2 ARG 26 OK 57 82 85 82 3.9-6.6 904/4.9=44, 4833/3.0=25...(7) H GLU 25 - HG2 ARG 27 poor 19 96 20 - 3.8-8.1 H ALA 28 - HG2 ARG 26 poor 18 89 20 - 4.5-7.3 H SER 22 - HG2 ARG 26 poor 16 89 60 29 3.5-9.2 4152/5925=11...(5) H ALA 77 - HG3 ARG 70 poor 13 64 20 - 4.5-14.7 H GLU 25 - HG3 ARG 27 poor 12 96 35 35 4.3-8.1 3.6/5346=17, 4833/2.9=12...(4) H THR 15 - HG3 ARG 17 far 4 79 5 - 5.8-11.8 H THR 15 - HG2 ARG 17 far 0 78 0 - 6.0-11.1 H GLN 79 - HG3 ARG 70 far 0 73 0 - 6.3-18.5 H ARG 84 - HG3 ARG 70 far 0 63 0 - 6.5-29.1 H SER 22 - HG2 ARG 27 far 0 100 0 - 7.2-11.4 H ALA 12 - HG2 ARG 26 far 0 55 0 - 7.4-32.7 H SER 22 - HG3 ARG 17 far 0 83 0 - 7.5-16.5 H SER 22 - HG3 ARG 27 far 0 100 0 - 7.7-11.9 H SER 22 - HG2 ARG 17 far 0 82 0 - 8.0-16.5 H ARG 84 - HG2 ARG 26 far 0 79 0 - 8.4-40.3 H THR 15 - HG3 ARG 70 far 0 69 0 - 8.7-35.4 H GLU 25 - HG3 ARG 17 far 0 76 0 - 9.5-18.3 H THR 15 - HG2 ARG 26 far 0 85 0 - 9.7-23.6 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 3.4-3.6 3.6=100 H LYS 32 + HA ALA 28 OK 91 97 100 94 3.9-5.4 89/4182=39, 4.7/5529=30...(17) H ASP 67 - HA ALA 28 far 0 81 0 - 8.6-10.0 H ALA 63 - HA ALA 28 far 0 68 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (7.95, 1.34, 17.80 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 29 + QB ALA 28 OK 100 100 100 100 2.1-3.0 78=100, 76/2.9=55...(13) H LYS 32 + QB ALA 28 OK 28 97 35 82 4.5-5.6 4.6/5303=30, 3761/2.1=25...(11) H ASP 67 - QB ALA 28 far 0 81 0 - 7.4-8.6 H ALA 63 - QB ALA 28 far 0 68 0 - 8.7-10.5 H ARG 70 - QB ALA 28 far 0 100 0 - 9.2-10.5 H VAL 76 - QB ALA 28 far 0 99 0 - 9.9-18.3 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...(15) H LYS 73 + HA LYS 73 OK 81 81 100 100 2.8-2.9 3.0=100 H VAL 76 - HA LYS 73 poor 15 64 40 57 3.2-9.6 5431=25, 4.0/15432=22...(10) H GLY 72 - HA LYS 73 far 4 88 5 - 4.8-5.5 H ARG 69 - HA LYS 73 far 0 91 0 - 6.4-9.1 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 2.5-4.0 81=96, 908/546=76...(18) Violated in 4 structures by 0.07 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 3.2-4.1 82=85, 3764/1.8=70...(17) H ALA 63 + HB3 LEU 62 OK 97 98 100 99 2.5-3.6 3907/1.8=74, 257=60...(14) H ALA 30 - HB3 LEU 86 far 0 78 0 - 7.4-49.2 H ARG 69 - HB3 LEU 62 far 0 99 0 - 9.1-11.4 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 1.9-4.3 83=95, 908/548=90...(17) Violated in 8 structures by 0.02 A. Peak 3767 from cnoeabs.peaks (7.98, 0.88, 24.48 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 30 + QD1 LEU 29 OK 100 100 100 100 2.3-4.8 84=89, 83/2.1=82...(17) H ALA 63 + QD1 LEU 62 OK 98 98 100 100 4.6-4.7 260=93, 3907/3.1=80...(15) H ALA 30 - QD1 LEU 86 far 5 98 5 - 4.2-43.1 H ALA 63 - QD1 LEU 86 far 0 97 0 - 7.1-41.0 H ARG 69 - QD1 LEU 86 far 0 98 0 - 8.6-34.6 H ARG 69 - QD1 LEU 62 far 0 99 0 - 9.2-11.6 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 4 assignments used, quality = 1.00: * H ALA 30 + QD2 LEU 29 OK 100 100 100 100 3.4-4.4 83/2.1=86, 3764/3.1=83...(24) H ALA 30 - QD2 LEU 86 far 4 87 5 - 4.9-42.5 H ALA 63 - QD2 LEU 86 far 0 86 0 - 8.0-40.0 H ARG 69 - QD2 LEU 86 far 0 87 0 - 9.5-33.9 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 3.3-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (7.71, 1.45, 18.15 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + QB ALA 30 OK 100 100 100 100 2.5-3.3 3.6=100 H GLN 61 - QB ALA 30 far 0 71 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (7.94, 4.42, 55.00 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 32 + HA MET 31 OK 100 100 100 100 3.2-3.5 3.6=100 H LEU 29 - HA MET 31 far 0 97 0 - 6.4-6.9 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 3.0-4.1 4.7=100 H LEU 29 + HB2 MET 31 OK 85 97 95 93 4.6-6.9 5525/556=58, 3.6/4176=37...(8) H ASP 67 - HB2 MET 31 far 0 97 0 - 8.6-10.9 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 6 assignments used, quality = 1.00: * H LYS 32 + HB3 MET 31 OK 99 100 100 99 3.4-4.4 4.7=77, 90/3.0=75...(12) H VAL 76 + HB VAL 76 OK 48 48 100 100 2.7-3.9 4.0=100 H LEU 29 - HB3 MET 31 far 5 97 5 - 5.2-7.2 H ARG 70 - HB VAL 76 far 3 58 5 - 4.0-14.5 H ASP 67 - HB VAL 76 far 0 60 0 - 8.1-19.7 H ASP 67 - HB3 MET 31 far 0 97 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (7.94, 2.63, 32.57 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 32 + HG2 MET 31 OK 100 100 100 100 4.3-5.5 4.9=98, 90/1543=78...(13) H LEU 29 + HG2 MET 31 OK 69 97 75 96 5.5-7.2 5525/1542=51...(9) H ASP 67 - HG2 MET 31 far 0 97 0 - 7.3-10.6 Violated in 11 structures by 0.07 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 4.1-5.7 4.9=100 H LEU 29 + HG3 MET 31 OK 78 97 85 95 4.7-7.9 5525/559=53, 3774/1.8=33...(8) H ASP 67 - HG3 MET 31 far 0 97 0 - 8.2-11.3 Violated in 9 structures by 0.07 A. Peak 3776 from cnoeabs.peaks (7.91, 3.98, 56.13 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.89: * H ILE 33 + HA LYS 32 OK 89 100 100 89 2.2-3.1 3.6=66, 99/1558=28...(10) 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 4 assignments used, quality = 1.00: * H ILE 33 + HB2 LYS 32 OK 100 100 100 100 3.8-4.6 4.3=100 H ILE 33 + HB3 LYS 32 OK 100 100 100 100 3.9-4.7 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.6-7.6 H ASP 67 - HB3 ARG 82 far 0 50 0 - 8.5-32.6 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 4 assignments used, quality = 1.00: H ILE 33 + HB2 LYS 32 OK 100 100 100 100 3.8-4.6 4.3=100 * H ILE 33 + HB3 LYS 32 OK 100 100 100 100 3.9-4.7 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.6-7.6 H ASP 67 - HB3 ARG 82 far 0 50 0 - 8.5-32.6 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 4.2-4.8 99=100, 3776/1558=75...(7) Violated in 16 structures by 0.16 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 2.9-3.6 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 1.9-5.4 110/2.3=99, 5564/1.8=92...(15) 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 2.3-2.7 112=100, 119/4290=28...(7) 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 2.0-2.9 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 3.2-3.6 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 99 100 100 99 3.9-5.1 112/3.8=88, 115=50...(7) H THR 37 + HG3 PRO 36 OK 99 100 100 99 4.5-5.3 112/3.8=88, 115=50...(7) 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 + HG3 PRO 36 OK 99 100 100 99 4.5-5.3 112/3.8=88, 115=50...(7) H THR 37 + HG2 PRO 36 OK 99 100 100 99 3.9-5.1 112/3.8=88, 115=50...(7) 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 3.8-4.2 121=100, 119/3.8=58...(8) Violated in 2 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (8.70, 1.17, 22.48 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + QG2 THR 37 OK 100 100 100 100 1.9-3.6 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 2.2-4.0 4.7=100 H LYS 39 + HB3 ASP 38 OK 100 100 100 100 2.5-4.2 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 + HB2 ASP 38 OK 100 100 100 100 2.2-4.0 4.7=100 * H LYS 39 + HB3 ASP 38 OK 100 100 100 100 2.5-4.2 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 3.3-3.5 3.6=100 H ASP 47 - HA LYS 39 far 0 71 0 - 8.2-11.2 HE ARG 54 - HA LYS 39 far 0 78 0 - 9.8-16.6 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 5 assignments used, quality = 1.00: * H ILE 40 + HB2 LYS 39 OK 100 100 100 100 2.9-4.1 4.4=100 HE ARG 54 - HB2 LYS 39 far 0 78 0 - 8.5-15.6 H ASP 47 - HB2 LYS 39 far 0 71 0 - 8.6-12.4 H ILE 40 - HB2 LYS 75 far 0 87 0 - 9.3-19.5 H ALA 53 - HB2 LYS 39 far 0 76 0 - 9.3-14.1 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 7 assignments used, quality = 1.00: * H ILE 40 + HB3 LYS 39 OK 100 100 100 100 3.1-4.2 4.4=100 H ILE 40 - HB3 LYS 73 far 0 100 0 - 7.7-12.3 H ILE 40 - HB2 LYS 13 far 0 99 0 - 8.1-29.0 HE ARG 54 - HB3 LYS 39 far 0 78 0 - 8.1-15.5 H ALA 53 - HB3 LYS 39 far 0 76 0 - 9.3-14.2 H ASP 47 - HB3 LYS 39 far 0 71 0 - 9.6-12.4 H ILE 40 - HB3 LYS 75 far 0 93 0 - 9.8-18.6 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 - 6.1-8.3 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 2.1-3.0 139=100, 3816/2.1=62...(18) HD21 ASN 42 - HB ILE 40 far 0 100 0 - 5.7-7.9 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 2.9-3.9 4.4=98, 139/2.1=88...(19) HD21 ASN 42 - QG2 ILE 40 far 0 100 0 - 5.9-8.2 HD21 ASN 74 - QG2 ILE 40 far 0 92 0 - 9.0-12.3 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 3.9-4.4 139/2.9=95, 915/605=94...(13) HD21 ASN 42 - HG12 ILE 40 far 0 100 0 - 7.1-8.9 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 2.2-3.2 146=100, 147/2.1=67...(12) 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 3.4-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (7.72, 0.94, 22.13 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + QG2 VAL 41 OK 100 100 100 100 3.5-4.0 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 2 assignments used, quality = 0.92: * H LEU 43 + HA ASN 42 OK 92 100 100 92 3.2-3.6 3.6=73, 149/3.0=49...(5) HD21 ASN 80 - HA ASN 42 far 0 71 0 - 9.8-23.9 Violated in 19 structures by 0.25 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 2.7-4.2 4.4=100 H LEU 43 + HB3 ASN 42 OK 100 100 100 100 2.1-3.7 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 2.1-3.7 4.4=100 H LEU 43 + HB2 ASN 42 OK 100 100 100 100 2.7-4.2 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 2.3-2.6 155=100, 156/2.3=47...(11) H ASN 49 - HA PRO 44 far 0 68 0 - 6.4-6.9 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 - 7.5-7.9 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 2.2-2.8 4.2=100 H ASN 49 - HB3 PRO 44 far 0 68 0 - 6.1-6.6 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 99 100 100 99 3.4-4.3 4451=59, 641/4407=50...(16) 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 3.5-3.7 166/2.1=86, 4.4=65...(11) H PHE 48 - HB VAL 45 far 0 100 0 - 5.7-6.3 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 4.3-4.3 165=100, 166/2.1=94...(10) H PHE 48 + QG2 VAL 45 OK 98 100 100 98 4.8-5.7 644/4421=47, 641/4409=45...(12) 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 2.3-2.5 166=100, 3835/2.1=50...(14) H PHE 48 - QG1 VAL 45 far 10 100 10 - 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 - 8.7-13.8 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (7.27, 2.70, 39.53 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 46 OK 100 100 100 100 2.6-3.4 169=100, 170/1.8=99...(7) HE ARG 54 - HB2 ASP 46 far 0 100 0 - 9.1-14.8 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 2.1-3.1 170=100, 169/1.8=95...(7) HE ARG 54 - HB3 ASP 46 far 0 100 0 - 9.1-14.9 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 3.4-3.6 3.6=100 H ASP 46 + HA ASP 47 OK 97 100 100 97 5.1-5.3 919/3.0=85, 3842/3.0=30...(8) 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 2.4-3.9 4.3=100 H ASP 46 + HB2 ASP 47 OK 98 100 100 98 4.4-5.9 919/637=82, 3843/1.8=36...(10) 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 2.2-3.9 4.3=100 H ASP 46 + HB3 ASP 47 OK 99 100 100 99 4.3-5.6 919/638=89, 3842/1.8=42...(9) 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 - 6.8-7.3 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 2.0-3.7 177=100, 180/2.5=68...(14) H VAL 45 + HB2 PHE 48 OK 67 68 100 98 4.5-5.6 3.0/4407=60, 4.0/4409=38...(13) Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (8.65, 2.88, 38.68 ppm; 4.28 A): 2 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 OK 63 68 95 98 4.4-5.9 ~4407=47, 3.0/4866=45...(12) 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 2.5-3.7 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 2.9-4.2 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 3 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 93 100 100 93 4.2-5.1 209/4962=70, 207/4549=67...(5) HD21 ASN 80 - HA GLU 50 far 0 93 0 - 8.8-31.2 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 2.5-4.1 4.7=60, 923/3.9=55...(15) H LEU 51 + HB3 GLU 50 OK 99 100 100 99 3.4-3.9 4.7=60, 923/3.9=55...(13) H ARG 54 + HB3 GLU 50 OK 38 100 55 69 4.7-6.5 209/5699=27, 3851/3.0=25...(7) H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.5-6.7 H LEU 43 - HB2 GLU 50 far 0 97 0 - 9.6-12.5 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 2.5-4.1 4.7=60, 923/3.9=55...(15) * H LEU 51 + HB3 GLU 50 OK 99 100 100 99 3.4-3.9 4.7=60, 923/3.9=55...(13) H ARG 54 + HB3 GLU 50 OK 38 100 55 69 4.7-6.5 209/5699=27, 3851/3.0=25...(7) H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.5-6.7 H LEU 43 - HB2 GLU 50 far 0 97 0 - 9.6-12.5 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 2.2-4.7 192=100, 923/656=80...(8) H ARG 54 - HG3 GLU 50 far 5 100 5 - 5.8-7.7 HD21 ASN 80 - HG3 GLU 50 far 0 93 0 - 8.8-30.7 H LEU 43 - HG3 GLU 50 far 0 97 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3856 from cnoeabs.peaks (7.43, 3.89, 57.93 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + HA LEU 51 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3857 from cnoeabs.peaks (7.43, 1.32, 41.26 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 52 + HB2 LEU 51 OK 100 100 100 100 2.2-4.2 196/1.8=86, 924/2216=62...(11) H LEU 52 + HB2 LEU 52 OK 61 61 100 100 3.6-3.6 3.9=99, 667/1.8=89...(14) HE21 GLN 61 - HB2 LEU 52 far 0 30 0 - 7.1-10.9 H LEU 64 - HB2 LEU 52 far 0 56 0 - 7.6-10.6 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 2.3-3.9 196=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 3.3-4.6 4.6=100 HE21 GLN 61 - QD2 LEU 51 far 0 60 0 - 8.0-9.5 H LEU 64 - QD2 LEU 51 far 0 97 0 - 9.5-11.4 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 4.2-5.0 4.6=100 HE21 GLN 61 - QD1 LEU 51 far 0 60 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (7.22, 3.81, 57.23 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + HA LEU 52 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 40 - HA LEU 52 far 0 76 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (7.22, 1.33, 40.92 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 53 + HB2 LEU 52 OK 100 100 100 100 3.5-4.1 203/1.8=92, 4.6=80...(12) H ALA 53 + HB2 LEU 51 OK 29 61 50 96 4.6-6.2 200/4.6=54, 5674/3.0=47...(12) H ILE 40 - HB2 LEU 51 far 0 39 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 3864 from cnoeabs.peaks (7.22, 1.47, 40.92 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + HB3 LEU 52 OK 100 100 100 100 2.4-3.0 203=100, 200/667=75...(12) 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 3.7-4.5 204=100, 200/668=95...(14) H ILE 40 - HG LEU 52 far 0 76 0 - 8.1-10.0 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 4.0-4.7 205=92, 203/3.1=77...(13) H ILE 40 - QD1 LEU 52 far 0 76 0 - 7.3-9.4 Violated in 19 structures by 0.11 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 4.3-4.9 206=96, 3.6/2287=81...(15) H ILE 40 - QD2 LEU 52 poor 15 76 20 - 5.8-7.8 Violated in 4 structures by 0.02 A. Peak 3868 from cnoeabs.peaks (7.53, 4.16, 52.94 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 54 + HA ALA 53 OK 100 100 100 100 3.3-3.5 3.6=100 H LEU 51 - HA ALA 53 far 0 100 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (7.53, 1.39, 18.28 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 54 + QB ALA 53 OK 100 100 100 100 2.8-3.3 3.6=100 H LEU 51 + QB ALA 53 OK 63 100 70 89 4.6-5.4 3.6/4962=52, 4943/2.9=37...(8) HD21 ASN 80 - QB ALA 78 far 2 49 5 - 5.0-8.5 H LEU 43 - QB ALA 78 far 0 55 0 - 7.3-22.1 HD21 ASN 80 - QB ALA 53 far 0 92 0 - 8.2-28.2 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 2.8-4.1 4.6=88, 210/676=85...(12) H TYR 55 - HB2 PRO 34 poor 15 51 30 - 5.2-8.1 H MET 31 - HB3 ARG 17 far 0 38 0 - 9.2-23.2 H GLN 61 - HB2 PRO 34 far 0 49 0 - 9.5-12.0 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 3.4-4.3 4.6=89, 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 1 assignment used, quality = 1.00: * H LEU 57 + HA PRO 56 OK 100 100 100 100 2.2-3.3 218=100, 220/2.3=31...(8) Violated in 5 structures by 0.08 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): 5 out of 6 assignments used, quality = 1.00: * H LEU 57 + HB3 PRO 56 OK 100 100 100 100 3.8-4.6 4.0=100 H ARG 26 + HB2 GLU 25 OK 40 40 100 99 2.2-4.1 4.7=80, 58/3.0=48...(17) H ARG 26 + HB3 GLU 25 OK 39 39 100 99 2.2-3.6 4.7=80, 58/3.0=48...(16) H ARG 27 + HB3 GLU 25 OK 22 29 100 76 4.6-5.6 5380/4.7=36, 61/3.0=20...(9) H ARG 27 + HB2 GLU 25 OK 21 30 95 75 4.6-5.9 5380/4.7=36, 61/3.0=20...(9) H THR 88 - HB3 GLU 25 far 0 39 0 - 9.9-48.6 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 2.7-4.3 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 2.0-3.3 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 3.0-4.0 230=79, 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...(7) Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (9.11, 1.31, 21.61 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + QG2 THR 58 OK 100 100 100 100 3.3-4.0 235=100, 234/2.1=88...(10) Violated in 7 structures by 0.03 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 2.7-4.0 4.6=100 * H SER 60 + HB2 GLU 59 OK 100 100 100 100 2.8-4.2 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 2.7-4.0 4.6=100 H SER 60 + HB2 GLU 59 OK 100 100 100 100 2.8-4.2 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 3.4-3.6 3.6=100 H MET 31 - HA SER 60 far 0 71 0 - 9.1-11.5 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 2.2-3.7 4.4=100 H GLN 61 + HB3 SER 60 OK 100 100 100 100 3.3-4.4 4.4=100 H MET 31 - HB2 SER 60 far 0 71 0 - 7.1-10.3 H MET 31 - HB3 SER 60 far 0 71 0 - 7.6-11.3 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 2.2-3.7 4.4=100 * H GLN 61 + HB3 SER 60 OK 100 100 100 100 3.3-4.4 4.4=100 H MET 31 - HB2 SER 60 far 0 71 0 - 7.1-10.3 H MET 31 - HB3 SER 60 far 0 71 0 - 7.6-11.3 Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (8.82, 3.96, 59.26 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HA GLN 61 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3902 from cnoeabs.peaks (8.82, 2.53, 30.35 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.4-3.5 248=100, 249/1.8=92...(12) 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 2.5-3.9 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 3.9-4.9 250=100, 248/3.0=99...(10) 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 - 8.0-9.9 H ARG 70 - HA LEU 62 far 0 71 0 - 9.2-11.4 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 2.7-3.4 256=92, 933/2571=45...(15) 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 10 assignments used, quality = 1.00: * H ALA 63 + HB3 LEU 62 OK 99 100 100 99 2.5-3.6 3907/1.8=67, 257=50...(14) H ALA 30 + HB3 LEU 29 OK 97 98 100 100 3.2-4.1 82=69, 3764/1.8=61...(17) H LEU 29 + HB3 LEU 29 OK 64 65 100 99 2.9-3.6 547=67, 546/1.8=55...(13) H LEU 29 - HB2 LEU 86 far 2 32 5 - 4.6-46.5 H LEU 29 - HB3 LEU 86 far 0 34 0 - 5.6-46.7 H ALA 30 - HB2 LEU 86 far 0 57 0 - 6.2-48.9 H ALA 30 - HB3 LEU 86 far 0 59 0 - 7.4-49.2 H ARG 70 - HB2 LEU 86 far 0 34 0 - 8.9-37.5 H ARG 69 - HB3 LEU 62 far 0 100 0 - 9.1-11.4 H ARG 70 - HB3 LEU 62 far 0 71 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (7.98, 1.57, 26.98 ppm; 4.73 A): 2 out of 17 assignments used, quality = 1.00: * H ALA 63 + HG LEU 62 OK 100 100 100 100 4.5-5.2 3907/3.0=87, 260/2.1=77...(16) H ALA 63 + HG LEU 64 OK 22 66 35 96 5.0-7.2 934/4.8=60, ~4681=42...(9) H ARG 69 - HG LEU 64 poor 18 64 35 79 6.0-7.9 294/4759=39...(5) H LEU 29 - HG LEU 64 far 0 37 0 - 7.3-8.6 H GLY 72 - HG LEU 64 far 0 57 0 - 7.3-11.1 H ARG 70 - HG2 ARG 84 far 0 23 0 - 7.5-31.7 H ARG 70 - HG3 ARG 84 far 0 23 0 - 7.6-32.9 H ALA 30 - HG3 ARG 23 far 0 43 0 - 7.6-12.3 H LEU 29 - HG3 ARG 23 far 0 24 0 - 7.7-11.6 H ARG 70 - HG LEU 64 far 0 39 0 - 7.7-9.8 H ALA 30 - HG LEU 64 far 0 64 0 - 8.0-9.3 H GLY 72 - HG3 ARG 23 far 0 38 0 - 9.0-14.6 H ARG 69 - HG LEU 62 far 0 100 0 - 9.2-12.1 H LYS 73 - HG LEU 64 far 0 49 0 - 9.3-13.2 H LYS 73 - HG2 ARG 84 far 0 29 0 - 9.7-27.8 H ARG 69 - HG3 ARG 84 far 0 39 0 - 10.0-34.3 H ARG 69 - HG2 ARG 84 far 0 39 0 - 10.0-33.2 Violated in 13 structures by 0.08 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 3.8-4.9 259=99, 3907/3.1=88...(16) H ARG 69 - QD2 LEU 62 far 0 100 0 - 6.7-10.1 H ARG 70 - QD2 LEU 62 far 0 71 0 - 7.4-10.7 Violated in 3 structures by 0.01 A. Peak 3911 from cnoeabs.peaks (7.98, 0.87, 24.45 ppm; 3.96 A): 3 out of 10 assignments used, quality = 1.00: * H ALA 63 + QD1 LEU 62 OK 100 100 100 100 4.6-4.7 3907/3.1=67, 260=63...(15) H ALA 30 + QD1 LEU 29 OK 98 98 100 100 2.3-4.8 83/2.1=68, 908/549=65...(17) H LEU 29 + QD1 LEU 29 OK 66 66 100 100 3.5-4.0 3.0/1481=69, 549=68...(13) H ALA 30 - QD1 LEU 86 far 4 89 5 - 4.2-43.1 H LEU 29 - QD1 LEU 86 far 3 55 5 - 2.2-41.1 H ALA 63 - QD1 LEU 86 far 0 90 0 - 7.1-41.0 H ARG 70 - QD1 LEU 86 far 0 58 0 - 7.8-33.5 H ARG 69 - QD1 LEU 86 far 0 89 0 - 8.6-34.6 H ARG 69 - QD1 LEU 62 far 0 100 0 - 9.2-11.6 H ARG 70 - QD1 LEU 62 far 0 71 0 - 9.6-12.3 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 3.4-3.6 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 2.0-2.9 263=100, 934/726=63...(14) 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 3.5-3.6 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 2.4-3.5 4.4=79, 3916/1.8=69...(15) 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 3.8-4.3 4.4=95, 3915/1.8=83...(17) 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 2.2-3.7 269/2.1=90, 3919/2.1=81...(14) H VAL 65 + HG LEU 62 OK 52 66 90 88 5.2-6.8 4674/4.3=58, 270/2.1=26...(8) H GLY 21 - HG3 ARG 23 far 4 87 5 - 5.8-11.0 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (8.38, 0.84, 25.67 ppm; 5.67 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 65 + QD2 LEU 64 OK 100 100 100 100 2.7-4.0 269=100, 3919/2.1=95...(16) H ALA 16 - QD2 LEU 64 far 0 60 0 - 8.9-18.5 H ARG 17 - QD2 LEU 64 far 0 99 0 - 9.8-16.2 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 3 assignments used, quality = 1.00: * H VAL 65 + QD1 LEU 64 OK 100 100 100 100 3.5-4.7 269/2.1=85, 3.6/2648=82...(15) H GLY 21 - QD1 LEU 64 far 0 100 0 - 8.1-13.5 H ALA 16 - QD1 LEU 64 far 0 60 0 - 9.7-19.0 Violated in 3 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 2.0-3.6 273=100, 271/736=69...(13) 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 2.2-3.5 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 3.5-4.2 4.1=100 Violated in 0 structures by 0.00 A. Peak 3924 from cnoeabs.peaks (7.93, 3.98, 60.19 ppm; 4.41 A): 2 out of 3 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 73 78 100 94 3.7-5.3 4.3/5047=50, 4.3/4766=46...(16) H VAL 76 - HA ARG 66 far 0 60 0 - 9.2-17.5 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (7.93, 1.88, 29.95 ppm; 4.42 A): 7 out of 28 assignments used, quality = 1.00: * H ASP 67 + HB2 ARG 66 OK 100 100 100 100 3.3-4.2 4.6=87, 937/4.0=65...(13) H LEU 29 + HB3 ARG 26 OK 45 79 90 63 4.6-6.0 908/4194=25, 4184/3.0=24...(8) H ARG 70 + HB2 ARG 66 OK 31 78 90 45 4.6-6.9 3924/3.0=27...(5) H LEU 29 + HB2 ARG 26 OK 31 79 75 52 4.8-6.2 4184/3.0=24, 908/4194=22...(6) H LEU 29 + HB2 ARG 27 OK 27 40 95 70 4.7-6.1 76/4.3=47, 4184/3.0=19...(9) H ARG 70 + HB2 ARG 71 OK 25 36 90 78 4.1-6.2 303/4.0=50, 771/2.8=22...(12) H LEU 29 + HB3 ARG 27 OK 25 42 85 70 4.6-6.1 76/4.3=47, 4184/3.0=19...(9) H ARG 70 - HB3 ARG 71 far 6 38 15 - 4.9-6.5 H ASP 67 - HB2 ARG 71 far 3 55 5 - 5.8-8.4 H VAL 76 - HB3 ARG 71 far 1 27 5 - 5.7-13.5 H ASP 67 - HB3 ARG 71 far 0 57 0 - 6.7-9.0 H LYS 32 - HB3 ARG 27 far 0 56 0 - 6.8-9.2 H VAL 76 - HB2 ARG 71 far 0 26 0 - 7.1-13.9 H ASP 67 - HB3 ARG 27 far 0 61 0 - 7.4-10.0 H ILE 33 - HB3 ARG 27 far 0 36 0 - 7.4-9.3 H LYS 32 - HB2 ARG 27 far 0 54 0 - 7.5-9.4 H ILE 33 - HB2 ARG 27 far 0 34 0 - 7.7-9.4 H ASP 67 - HB2 ARG 27 far 0 58 0 - 7.9-10.5 H LYS 32 - HB3 ARG 26 far 0 96 0 - 8.1-9.9 H LEU 29 - HB3 ARG 23 far 0 44 0 - 8.4-11.0 H VAL 76 - HB2 ARG 23 far 0 29 0 - 8.5-23.1 H LYS 32 - HB2 ARG 26 far 0 96 0 - 8.6-10.0 H VAL 76 - HB2 ARG 66 far 0 60 0 - 9.0-18.0 H LEU 29 - HB2 ARG 23 far 0 42 0 - 9.3-11.0 H ILE 33 - HB3 ARG 26 far 0 69 0 - 9.6-10.9 H ARG 70 - HB3 ARG 27 far 0 40 0 - 9.7-12.5 H ARG 70 - HB2 ARG 27 far 0 39 0 - 9.7-13.3 H ILE 33 - HB2 ARG 26 far 0 69 0 - 9.8-10.8 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 9 assignments used, quality = 1.00: * H ASP 67 + HB3 ARG 66 OK 98 100 100 98 2.3-4.0 937/742=51, 279=48...(16) H ARG 70 + HB3 ARG 70 OK 62 64 100 98 2.2-3.6 4.1=64, 770/2.9=37...(20) H ARG 70 + HB2 ARG 70 OK 62 64 100 98 2.6-3.6 4.1=64, 770/2.9=37...(20) H ASP 67 - HB3 ARG 70 far 9 89 10 - 4.1-8.0 H VAL 76 - HB2 ARG 70 far 7 48 15 - 3.4-13.0 H ASP 67 - HB2 ARG 70 far 4 89 5 - 4.9-8.2 H VAL 76 - HB3 ARG 70 far 2 48 5 - 4.0-11.6 H ARG 70 - HB3 ARG 66 far 0 78 0 - 5.3-6.6 H VAL 76 - HB3 ARG 66 far 0 60 0 - 9.4-19.3 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (7.93, 2.01, 28.91 ppm; 5.34 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 67 + HG2 ARG 66 OK 100 100 100 100 2.2-4.8 280=100, 937/743=92...(16) H ARG 70 + HG2 ARG 66 OK 20 78 50 52 5.2-7.8 3924/4.1=30, 3925/2.8=9...(7) H VAL 76 - HB3 GLN 79 poor 19 48 40 - 5.2-11.3 H ARG 70 - HB3 GLN 79 far 3 64 5 - 5.9-18.2 H ASP 67 - HB3 GLN 79 far 0 89 0 - 7.9-22.5 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 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3932 from cnoeabs.peaks (8.44, 2.90, 41.70 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HB2 ASP 67 OK 100 100 100 100 3.2-3.8 286=100, 287/1.8=86...(7) Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (8.44, 2.84, 41.70 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HB3 ASP 67 OK 100 100 100 100 2.4-3.4 287=100, 286/1.8=90...(10) Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (7.98, 3.51, 65.41 ppm; 4.29 A): 3 out of 4 assignments used, quality = 1.00: * H ARG 69 + HA ILE 68 OK 100 100 100 100 3.4-3.6 3.6=100 H GLY 72 + HA ILE 68 OK 98 99 100 99 2.1-4.2 5845=67, 5397/5389=53...(20) H LYS 73 + HA ILE 68 OK 37 93 60 67 3.9-6.6 4.5/5845=38, 5264/3.2=24...(9) H VAL 76 - HA ILE 68 far 0 76 0 - 7.4-15.8 Violated in 0 structures by 0.00 A. Peak 3935 from cnoeabs.peaks (7.98, 1.90, 38.07 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 69 + HB ILE 68 OK 99 100 100 99 2.3-3.1 4.4=69, 288/2749=55...(18) H GLY 72 + HB ILE 68 OK 46 99 50 94 4.9-6.1 5845/3.0=42, 5056/2.1=37...(18) H LYS 73 - HB ILE 68 far 0 93 0 - 5.5-8.3 H VAL 76 - HB ILE 68 far 0 76 0 - 8.8-17.4 H ALA 63 - HB ILE 68 far 0 100 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (7.98, 0.81, 17.06 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 69 + QG2 ILE 68 OK 100 100 100 100 2.7-3.9 4.1=97, 290/2.1=55...(23) H GLY 72 + QG2 ILE 68 OK 97 99 100 99 3.0-4.4 5056=55, 5845/3.2=45...(28) H LYS 73 + QG2 ILE 68 OK 64 93 80 85 3.8-5.9 5264=34, 3.6/4795=27...(15) H VAL 76 - QG2 ILE 68 far 4 76 5 - 5.6-13.6 H ALA 30 - QG2 ILE 68 far 0 100 0 - 8.6-10.8 H ALA 63 - QG2 ILE 68 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (7.98, 0.78, 13.95 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 69 + QD1 ILE 68 OK 100 100 100 100 4.3-4.9 288/2777=71, 294=61...(21) H GLY 72 + QD1 ILE 68 OK 52 99 55 97 4.3-6.8 5845/4.1=51, 5056/2.9=43...(18) H LYS 73 - QD1 ILE 68 far 5 93 5 - 5.7-8.6 H ALA 30 - QD1 ILE 68 far 0 100 0 - 6.5-8.0 H ALA 63 - QD1 ILE 68 far 0 100 0 - 7.2-8.1 H VAL 76 - QD1 ILE 68 far 0 76 0 - 8.6-16.5 Violated in 1 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (7.95, 3.63, 59.20 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HA ARG 69 OK 100 100 100 100 3.4-3.6 3.6=100 H VAL 76 - HA ARG 69 far 0 99 0 - 6.2-13.8 H ASP 67 - HA ARG 69 far 0 78 0 - 6.6-7.5 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 2.4-3.9 4.3=94, 940/760=57...(17) H ASP 67 + HB2 ARG 69 OK 48 78 80 76 4.6-6.6 3.6/5047=52, 940/760=22...(8) H VAL 76 - HB2 ARG 69 far 0 99 0 - 6.2-15.1 H ALA 63 - HB2 ARG 69 far 0 71 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (7.95, 1.39, 29.46 ppm; 4.57 A): 2 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 OK 32 78 50 82 5.3-8.0 3.6/4766=56, 3941/1.8=28...(9) H VAL 76 - HB3 ARG 69 far 10 99 10 - 5.8-15.1 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (7.95, 1.24, 27.02 ppm; 4.18 A): 3 out of 7 assignments used, quality = 1.00: * H ARG 70 + HG2 ARG 69 OK 100 100 100 100 2.6-4.9 5829=83, 3944/1.8=59...(17) H LYS 32 + HG13 ILE 33 OK 36 56 85 75 3.5-6.1 4.6/575=37, 5541/1.8=31...(8) H LEU 29 + HG13 ILE 33 OK 36 63 95 60 4.7-7.1 5534/1.8=30, 3.6/4172=21...(7) H VAL 76 - HG2 ARG 69 far 0 99 0 - 6.0-13.1 H ASP 67 - HG2 ARG 69 far 0 78 0 - 6.5-8.7 H ASP 67 - HG13 ILE 33 far 0 42 0 - 7.8-10.8 H ALA 63 - HG13 ILE 33 far 0 37 0 - 7.9-10.1 Violated in 0 structures by 0.00 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 2.5-5.0 5829/1.8=88, 297/3.0=69...(20) H VAL 76 - HG3 ARG 69 far 5 99 5 - 6.2-13.8 H ASP 67 - HG3 ARG 69 far 4 78 5 - 5.5-8.6 Violated in 4 structures by 0.02 A. Peak 3948 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 3.82 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.1-4.2 4.4=64, 307/2.9=54...(20) H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.3-4.0 4.4=64, 307/2.9=54...(20) H LYS 75 - HB2 ARG 70 far 14 92 15 - 4.2-10.4 H LYS 75 - HB3 ARG 70 far 9 92 10 - 5.2-10.0 H ARG 71 - HB3 ARG 66 far 0 89 0 - 6.4-8.6 H LYS 85 - HB2 ARG 70 far 0 100 0 - 7.7-33.3 H LYS 85 - HB3 ARG 70 far 0 100 0 - 8.2-32.0 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 7 assignments used, quality = 1.00: H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.1-4.2 4.4=64, 307/2.9=54...(20) * H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.3-4.0 4.4=64, 307/2.9=54...(20) H LYS 75 - HB2 ARG 70 far 14 92 15 - 4.2-10.4 H LYS 75 - HB3 ARG 70 far 9 92 10 - 5.2-10.0 H ARG 71 - HB3 ARG 66 far 0 89 0 - 6.4-8.6 H LYS 85 - HB2 ARG 70 far 0 100 0 - 7.7-33.3 H LYS 85 - HB3 ARG 70 far 0 100 0 - 8.2-32.0 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (7.99, 4.08, 58.40 ppm; 3.71 A): 3 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 82 87 100 95 3.4-5.0 81/5348=44, 5387=37...(12) H LYS 73 + HA ARG 71 OK 55 99 100 55 3.8-5.2 5987/4.7=33, 942/2.9=19...(6) H ALA 30 - HA GLU 25 far 0 90 0 - 6.3-7.6 H ARG 69 - HA ARG 71 far 0 99 0 - 6.5-7.2 H GLY 72 - HA GLU 25 far 0 93 0 - 7.9-11.5 H ARG 69 - HA GLU 25 far 0 90 0 - 9.4-11.6 H LYS 73 - HA GLU 25 far 0 91 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 10 out of 26 assignments used, quality = 1.00: * H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.2-4.1 4.4=99, 5397/4.0=64...(14) H GLY 72 + HB3 ARG 71 OK 100 100 100 100 2.6-4.1 4.4=99, 5397/4.0=64...(11) H ALA 30 + HB3 ARG 27 OK 64 98 70 93 5.2-6.1 5538/4.3=43, 5387/3.0=39...(10) H ALA 30 + HB2 ARG 27 OK 64 99 70 93 5.6-6.2 5538/4.3=43, 5387/3.0=39...(10) H ARG 69 + HB2 ARG 71 OK 56 99 80 71 4.6-7.3 5825/4.0=51, 3.6/5392=26...(6) H LYS 73 + HB2 ARG 71 OK 55 99 90 61 4.6-6.1 4.5/313=26, 942/4.0=19...(9) H LYS 73 + HB3 ARG 71 OK 41 99 70 59 4.6-6.1 4.5/313=26, 942/4.0=19...(7) H ALA 30 + HB3 ARG 26 OK 31 46 90 75 4.4-6.0 5387/3.0=33, 4194/1.8=30...(10) H ALA 30 + HB2 ARG 26 OK 31 49 85 74 4.7-6.4 4194/1.8=35, 5387/3.0=33...(8) H ARG 69 + HB2 ARG 66 OK 30 52 100 57 4.9-5.6 5379/3.0=33, 940/4.6=17...(6) H ARG 69 - HB3 ARG 71 far 5 99 5 - 5.7-8.0 H ALA 63 - HB2 ARG 66 far 0 48 0 - 6.3-8.2 H GLY 72 - HB2 ARG 27 far 0 100 0 - 7.7-11.7 H GLY 72 - HB2 ARG 66 far 0 55 0 - 7.8-10.4 H GLY 72 - HB2 ARG 23 far 0 79 0 - 7.8-14.2 H GLY 72 - HB3 ARG 27 far 0 100 0 - 8.0-11.9 H ALA 63 - HB3 ARG 27 far 0 94 0 - 8.3-12.3 H ARG 69 - HB3 ARG 27 far 0 98 0 - 8.6-10.8 H LYS 73 - HB2 ARG 66 far 0 53 0 - 8.8-10.8 H ARG 69 - HB2 ARG 27 far 0 99 0 - 8.8-11.4 H GLY 72 - HB3 ARG 23 far 0 79 0 - 8.9-14.9 H ALA 30 - HB3 ARG 23 far 0 76 0 - 9.1-11.7 H ALA 30 - HB2 ARG 23 far 0 75 0 - 9.2-12.2 H LYS 73 - HB2 ARG 23 far 0 77 0 - 9.3-16.2 H LYS 73 - HB2 ARG 27 far 0 99 0 - 9.5-13.9 H ALA 63 - HB2 ARG 27 far 0 94 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 10 out of 26 assignments used, quality = 1.00: H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.2-4.1 4.4=99, 5397/4.0=64...(14) * H GLY 72 + HB3 ARG 71 OK 100 100 100 100 2.6-4.1 4.4=99, 5397/4.0=64...(11) H ALA 30 + HB3 ARG 27 OK 64 99 70 93 5.2-6.1 5538/4.3=43, 5387/3.0=39...(11) H ALA 30 + HB2 ARG 27 OK 64 98 70 93 5.6-6.2 5538/4.3=43, 5387/3.0=39...(11) H ARG 69 + HB2 ARG 71 OK 56 99 80 72 4.6-7.3 5825/4.0=51, 3.6/5392=26...(7) H LYS 73 + HB2 ARG 71 OK 55 99 90 61 4.6-6.1 4.5/314=26, 942/4.0=19...(9) H LYS 73 + HB3 ARG 71 OK 41 99 70 59 4.6-6.1 4.5/314=26, 942/4.0=19...(7) H ALA 30 + HB3 ARG 26 OK 33 49 90 75 4.4-6.0 5387/3.0=33, 4194/1.8=30...(10) H ALA 30 + HB2 ARG 26 OK 32 51 85 75 4.7-6.4 4194/1.8=35, 5387/3.0=33...(8) H ARG 69 + HB2 ARG 66 OK 31 54 100 57 4.9-5.6 5379/3.0=33, 940/4.6=17...(6) H ARG 69 - HB3 ARG 71 far 5 99 5 - 5.7-8.0 H ALA 63 - HB2 ARG 66 far 0 50 0 - 6.3-8.2 H GLY 72 - HB2 ARG 27 far 0 100 0 - 7.7-11.7 H GLY 72 - HB2 ARG 66 far 0 57 0 - 7.8-10.4 H GLY 72 - HB2 ARG 23 far 0 78 0 - 7.8-14.2 H GLY 72 - HB3 ARG 27 far 0 100 0 - 8.0-11.9 H ALA 63 - HB3 ARG 27 far 0 94 0 - 8.3-12.3 H ARG 69 - HB3 ARG 27 far 0 99 0 - 8.6-10.8 H LYS 73 - HB2 ARG 66 far 0 55 0 - 8.8-10.8 H ARG 69 - HB2 ARG 27 far 0 98 0 - 8.8-11.4 H GLY 72 - HB3 ARG 23 far 0 79 0 - 8.9-14.9 H ALA 30 - HB3 ARG 23 far 0 75 0 - 9.1-11.7 H ALA 30 - HB2 ARG 23 far 0 74 0 - 9.2-12.2 H LYS 73 - HB2 ARG 23 far 0 76 0 - 9.3-16.2 H LYS 73 - HB2 ARG 27 far 0 99 0 - 9.5-13.9 H ALA 63 - HB2 ARG 27 far 0 94 0 - 9.9-12.5 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 99 100 100 99 2.0-5.3 5.0=74, 5397/5.0=51...(14) H LYS 73 + HD3 LYS 73 OK 96 96 100 100 2.7-5.7 788/3.5=77, 787/3.5=77...(21) H LYS 73 + HD2 LYS 73 OK 96 96 100 100 3.6-5.9 788/3.5=77, 787/3.5=77...(21) H ARG 69 + HG2 ARG 71 OK 26 99 35 76 4.1-8.2 5825/5.0=42, 3.6/5045=24...(8) H LYS 73 - HG2 ARG 71 poor 16 99 25 65 4.7-7.5 4.5/5840=27, 942/5.0=15...(9) H GLY 72 - HD3 LYS 73 far 5 98 5 - 4.7-8.5 H GLY 72 - HD2 LYS 73 far 5 98 5 - 5.9-8.4 H ARG 69 - HD3 LYS 73 far 0 95 0 - 6.1-11.3 H ARG 69 - HD2 LYS 73 far 0 95 0 - 6.7-11.9 H ALA 30 - HD3 LYS 32 far 0 97 0 - 6.9-9.4 H ALA 30 - HD2 LYS 32 far 0 95 0 - 7.5-9.2 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 GLY 72 + HA2 GLY 72 OK 99 99 100 100 2.3-2.8 3.0=100 * H LYS 73 + HA2 GLY 72 OK 99 100 100 99 2.7-3.5 3.6=97, 3962/1.8=36...(11) H ARG 69 - HA2 GLY 72 far 14 93 15 - 4.5-7.6 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...(7) H ARG 69 - HA3 GLY 72 far 5 93 5 - 4.7-7.8 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 9 assignments used, quality = 0.99: * H ASN 74 + HA LYS 73 OK 99 99 100 100 2.2-3.6 3.6=100 H ALA 78 - HA LYS 73 far 10 99 10 - 4.2-15.5 H ILE 89 - HA LEU 29 far 0 50 0 - 6.4-52.6 H ARG 27 - HA LEU 29 far 0 41 0 - 6.6-7.3 H THR 88 - HA LEU 29 far 0 50 0 - 6.8-51.1 H ARG 26 - HA LEU 29 far 0 50 0 - 6.9-7.9 H THR 88 - HA ARG 84 far 0 75 0 - 7.2-13.0 H ARG 26 - HA ARG 84 far 0 75 0 - 8.2-40.6 H ALA 78 - HA ARG 82 far 0 53 0 - 8.4-13.4 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 9 assignments used, quality = 1.00: * H ASN 74 + HB2 LYS 73 OK 100 100 100 100 2.8-4.6 4.3=100 H ASN 74 + HB2 LYS 75 OK 56 77 90 81 4.3-7.3 4.6/803=37, 3965/1.8=33...(6) H ALA 78 - HB2 LYS 73 far 15 100 15 - 4.7-17.0 H THR 88 - HB2 LYS 85 far 6 56 10 - 6.3-10.7 H ALA 78 - HB2 LYS 75 lone 3 76 35 11 5.5-10.5 5861/5261=5, 5861/5261=5 H ARG 26 - HB2 LYS 75 far 0 55 0 - 7.3-24.2 H ILE 89 - HB2 LYS 85 far 0 56 0 - 7.6-13.0 H ARG 27 - HB2 LYS 75 far 0 45 0 - 8.3-23.1 H ARG 26 - HB2 LYS 85 far 0 56 0 - 8.8-41.2 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 13 assignments used, quality = 1.00: * H ASN 74 + HB3 LYS 73 OK 100 100 100 100 2.1-4.3 4.3=100 H ASN 74 + HB3 LYS 75 OK 78 93 100 84 3.5-6.2 4.6/804=32, 3964/1.8=30...(9) H ALA 78 - HB3 LYS 73 poor 20 100 20 - 4.3-15.8 H ALA 78 - HB3 LYS 75 poor 18 92 20 - 6.0-10.8 H THR 88 - HB2 LYS 85 far 5 46 10 - 6.3-10.7 H ASN 74 - HB2 LYS 83 far 0 96 0 - 7.4-23.9 H ALA 78 - HB2 LYS 83 far 0 96 0 - 7.5-15.7 H ILE 89 - HB2 LYS 85 far 0 46 0 - 7.6-13.0 H ARG 26 - HB3 LYS 75 far 0 69 0 - 8.1-25.8 H ARG 26 - HB2 LYS 13 far 0 72 0 - 8.5-27.6 H ARG 27 - HB3 LYS 75 far 0 58 0 - 8.5-24.6 H ARG 27 - HB2 LYS 13 far 0 60 0 - 8.6-27.7 H ARG 26 - HB2 LYS 85 far 0 46 0 - 8.8-41.2 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 5 assignments used, quality = 1.00: * H LYS 75 + HA ASN 74 OK 100 100 100 100 2.4-3.5 3.6=100 H ARG 71 - HA ASN 74 poor 18 92 25 78 5.0-8.4 ~16010=25, ~16009=25...(14) H LYS 85 - HA ASN 80 far 0 91 0 - 7.2-14.9 H LYS 75 - HA ASN 80 far 0 99 0 - 8.8-15.9 H ARG 71 - HA ASN 80 far 0 89 0 - 8.9-23.7 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.09, 2.81, 38.52 ppm; 4.99 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 75 + HB2 ASN 74 OK 100 100 100 100 2.9-4.6 4.6=100 H LYS 75 + HB3 ASN 74 OK 57 57 100 100 2.0-4.7 4.6=100 H ARG 71 + HB2 ASN 74 OK 30 92 35 95 5.7-7.9 2.9/16010=70, ~16009=50...(6) H ARG 71 - HB3 ASN 74 poor 19 48 45 90 5.2-9.2 ~16010=51, 2.9/5836=38...(6) Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (8.09, 2.78, 38.52 ppm; 5.14 A): 4 out of 7 assignments used, quality = 1.00: * H LYS 75 + HB3 ASN 74 OK 100 100 100 100 2.0-4.7 4.6=100 H LYS 75 + HB2 ASN 74 OK 57 57 100 100 2.9-4.6 4.6=100 H ARG 71 + HB3 ASN 74 OK 44 92 50 96 5.2-9.2 2.9/16009=71, ~16010=54...(6) H ARG 71 + HB2 ASN 74 OK 22 48 50 90 5.7-7.9 ~16009=53, 2.9/5836=37...(6) H LYS 85 - HB3 ASN 80 far 3 59 5 - 6.3-16.1 H LYS 75 - HB3 ASN 80 far 0 69 0 - 6.8-18.1 H ARG 71 - HB3 ASN 80 far 0 58 0 - 7.7-24.5 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 = 0.99: * H VAL 76 + HA LYS 75 OK 99 100 100 99 2.1-3.5 3.6=88, 340/3.0=49...(12) H ARG 70 - HA LYS 75 far 0 99 0 - 7.7-12.1 H ARG 69 - HA LYS 75 far 0 76 0 - 9.4-14.0 Violated in 3 structures by 0.01 A. Peak 3976 from cnoeabs.peaks (7.96, 1.84, 32.59 ppm; 4.15 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 76 + HB2 LYS 75 OK 100 100 100 100 2.5-3.9 340=100, 3975/3.0=74...(12) H ARG 70 - HB2 LYS 73 poor 19 74 40 64 5.1-8.0 2.9/5061=30, 297/1.8=18...(13) H VAL 76 - HB2 LYS 73 poor 17 77 30 72 4.8-11.0 5431/3.0=50, 341/1.8=20...(8) H ARG 69 - HB2 LYS 73 far 8 51 15 - 5.3-9.7 H ARG 70 - HB2 LYS 75 far 0 99 0 - 6.6-13.0 H ARG 69 - HB2 LYS 75 far 0 76 0 - 8.2-14.9 H ASP 67 - HB2 LYS 73 far 0 39 0 - 9.3-12.8 H ARG 69 - HB2 LYS 39 far 0 60 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (7.96, 1.79, 32.59 ppm; 3.97 A): 3 out of 14 assignments used, quality = 1.00: * H VAL 76 + HB3 LYS 75 OK 100 100 100 100 3.5-4.4 340/1.8=82, 341=77...(14) H ARG 70 + HB3 LYS 73 OK 42 90 55 84 4.4-7.4 ~15061=33, ~5061=33...(13) H VAL 76 + HB3 LYS 73 OK 29 93 45 70 3.4-9.9 5431/3.0=45, 341=23...(8) H ARG 69 - HB3 LYS 73 far 10 65 15 - 4.7-8.9 H LYS 32 - HB2 LYS 13 far 7 72 10 - 4.1-27.5 H ALA 30 - HB2 LYS 13 far 3 63 5 - 4.0-26.1 H LEU 29 - HB2 LYS 13 far 0 88 0 - 5.9-26.0 H ARG 70 - HB3 LYS 75 far 0 99 0 - 7.7-12.5 H ARG 69 - HB3 LYS 75 far 0 76 0 - 7.7-14.3 H ASP 67 - HB3 LYS 73 far 0 50 0 - 8.8-12.3 H ARG 69 - HB3 LYS 39 far 0 66 0 - 9.3-12.1 H LEU 29 - HB2 LYS 85 far 0 89 0 - 9.3-41.9 H VAL 76 - HB2 LYS 83 far 0 99 0 - 9.6-20.0 H ARG 70 - HB2 LYS 83 far 0 98 0 - 9.7-27.5 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (8.23, 3.97, 62.83 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 77 + HA VAL 76 OK 100 100 100 100 2.1-3.5 349=100, 350/3.0=49...(15) H GLN 79 + HA VAL 76 OK 29 97 45 66 3.1-8.3 4.0/16011=27...(11) H GLU 25 - HA VAL 76 far 0 71 0 - 8.1-22.0 H SER 22 - HA VAL 76 far 0 92 0 - 8.3-24.3 Violated in 2 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (8.23, 2.04, 32.56 ppm; 4.61 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 77 + HB VAL 76 OK 100 100 100 100 3.0-4.4 4.4=100 H GLN 79 + HB VAL 76 OK 24 97 45 55 3.0-8.5 3984/3.0=19, 3986/2.1=13...(7) H ALA 28 - HB3 MET 31 far 3 57 5 - 5.5-7.5 H GLU 25 - HB VAL 76 far 0 71 0 - 8.2-22.1 H ALA 12 - HB3 MET 31 far 0 57 0 - 9.3-31.5 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (8.23, 0.92, 20.62 ppm; 4.81 A): 4 out of 13 assignments used, quality = 1.00: * H ALA 77 + QG1 VAL 76 OK 100 100 100 100 2.1-4.4 4.3=100 H ALA 77 + QG2 VAL 76 OK 100 100 100 100 2.3-4.4 4.3=100 H GLN 79 + QG1 VAL 76 OK 57 97 80 73 2.8-7.4 4.6/5861=23, 3984/3.2=19...(11) H GLN 79 + QG2 VAL 76 OK 53 97 75 73 2.4-7.7 4.6/5861=24, 3984/3.2=19...(11) H GLU 25 - QG1 VAL 76 far 4 71 5 - 6.2-17.7 H GLU 25 - QG2 VAL 76 far 3 70 5 - 4.8-19.1 H SER 22 - QG2 VAL 76 far 0 91 0 - 7.0-21.1 H SER 22 - QG1 VAL 76 far 0 92 0 - 7.5-20.1 H ALA 28 - QG2 VAL 76 far 0 94 0 - 7.8-19.3 H ARG 84 - QG1 VAL 76 far 0 65 0 - 8.1-16.7 H ARG 84 - QG2 VAL 76 far 0 65 0 - 8.5-17.7 H ALA 28 - QG1 VAL 90 far 0 69 0 - 8.6-44.9 H ALA 28 - QG1 VAL 76 far 0 95 0 - 9.3-18.4 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (8.23, 0.92, 20.67 ppm; 4.81 A): 4 out of 13 assignments used, quality = 1.00: * H ALA 77 + QG2 VAL 76 OK 100 100 100 100 2.3-4.4 4.3=100 H ALA 77 + QG1 VAL 76 OK 100 100 100 100 2.1-4.4 4.3=100 H GLN 79 + QG1 VAL 76 OK 56 97 80 73 2.8-7.4 4.6/5861=23, 3984/3.2=19...(11) H GLN 79 + QG2 VAL 76 OK 54 97 75 73 2.4-7.7 4.6/5861=24, 3984/3.2=19...(11) H GLU 25 - QG2 VAL 76 far 4 71 5 - 4.8-19.1 H GLU 25 - QG1 VAL 76 far 3 70 5 - 6.2-17.7 H SER 22 - QG2 VAL 76 far 0 92 0 - 7.0-21.1 H SER 22 - QG1 VAL 76 far 0 91 0 - 7.5-20.1 H ALA 28 - QG2 VAL 76 far 0 95 0 - 7.8-19.3 H ARG 84 - QG1 VAL 76 far 0 65 0 - 8.1-16.7 H ARG 84 - QG2 VAL 76 far 0 65 0 - 8.5-17.7 H ALA 28 - QG1 VAL 90 far 0 66 0 - 8.6-44.9 H ALA 28 - QG1 VAL 76 far 0 94 0 - 9.3-18.4 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 7 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 5 100 5 - 4.8-12.1 H ARG 26 - HA ALA 20 far 0 40 0 - 5.4-10.5 H ASN 74 - HA ALA 78 far 0 54 0 - 6.7-13.5 H ALA 78 - HA ALA 20 far 0 51 0 - 8.2-30.1 H ASN 74 - HA ALA 20 far 0 51 0 - 9.3-22.1 Violated in 0 structures by 0.00 A. Peak 3989 from cnoeabs.peaks (8.15, 1.38, 18.78 ppm; 3.62 A): 3 out of 10 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 ASN 74 + QB ALA 77 OK 25 100 30 85 3.9-11.3 3.0/16040=59, ~16039=19...(9) H ARG 26 - QB ALA 20 far 13 88 15 - 3.1-8.6 H ARG 26 - QB ALA 16 far 3 50 5 - 4.8-17.7 H ASN 74 - QB ALA 78 far 0 91 0 - 5.5-12.5 H ASN 74 - QB ALA 20 far 0 100 0 - 7.0-20.0 H ALA 78 - QB ALA 20 far 0 100 0 - 7.2-26.8 H ASN 74 - QB ALA 16 far 0 63 0 - 8.3-25.9 H ARG 26 - QB ALA 78 far 0 77 0 - 9.7-24.3 Violated in 0 structures by 0.00 A. Peak 3990 from cnoeabs.peaks (8.22, 4.21, 52.88 ppm; 3.79 A): 4 out of 8 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 OK 41 98 50 83 4.6-6.4 5857/2.9=28, ~3988=16...(18) H GLN 79 + HA ALA 77 OK 31 57 90 61 3.3-6.3 358/2.1=23, 5857/3.6=21...(8) H SER 22 - HA ALA 78 far 0 99 0 - 6.8-27.9 H ARG 84 - HA ALA 78 far 0 87 0 - 8.5-14.2 H ARG 84 - HA ALA 77 far 0 43 0 - 9.5-17.1 H SER 22 - HA ALA 77 far 0 55 0 - 9.7-26.1 Violated in 0 structures by 0.00 A. Peak 3992 from cnoeabs.peaks (8.04, 4.18, 56.27 ppm; 4.20 A): 3 out of 8 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 ARG 82 OK 39 100 55 70 5.1-6.4 ~5474=32, 4.5/4675=18...(6) H TYR 81 + HA GLN 79 OK 30 76 95 42 3.3-6.5 5882=15, 4.5/5868=11...(6) H ARG 82 - HA GLN 79 poor 15 76 20 - 3.8-10.3 H ARG 82 - HA ARG 84 far 0 81 0 - 6.9-9.2 H TYR 81 - HA LYS 73 far 0 57 0 - 7.0-17.0 H ARG 82 - HA LYS 73 far 0 57 0 - 8.6-20.3 H TYR 81 - HA ARG 84 far 0 81 0 - 8.8-12.0 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 17 assignments used, quality = 1.00: * H ARG 84 + HA LYS 83 OK 100 100 100 100 2.1-3.5 3.6=100 H ARG 84 + HA LYS 85 OK 59 73 100 81 4.5-5.6 ~377=38, 367=35...(9) H SER 22 - HA GLU 19 far 4 84 5 - 6.1-9.6 H GLU 25 - HA LYS 85 far 0 73 0 - 7.4-39.3 H GLN 79 - HA LYS 83 far 0 89 0 - 7.9-13.3 H THR 15 - HA GLU 19 far 0 91 0 - 8.1-16.0 H SER 22 - HA LYS 83 far 0 96 0 - 8.2-35.4 H GLU 25 - HA GLU 19 far 0 92 0 - 8.3-13.0 H ALA 28 - HA LYS 85 far 0 63 0 - 8.4-41.1 H GLN 79 - HA GLU 19 far 0 77 0 - 8.4-34.4 H ARG 27 - HA LYS 85 far 0 52 0 - 8.4-42.4 H ALA 77 - HA GLU 19 far 0 55 0 - 8.5-30.4 H ARG 27 - HA GLU 19 far 0 69 0 - 8.5-14.0 H ILE 89 - HA LYS 85 far 0 43 0 - 8.7-12.8 H ALA 28 - HA GLU 19 far 0 82 0 - 9.3-15.5 H SER 22 - HA LYS 85 far 0 66 0 - 9.3-40.6 H GLN 79 - HA LYS 85 far 0 59 0 - 9.5-19.2 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 8 assignments used, quality = 1.00: * H LYS 85 + HA ARG 84 OK 100 100 100 100 2.1-3.5 3.6=100 H LYS 75 + HA LYS 73 OK 59 86 85 81 3.3-7.1 4.6/5431=34, 377=23...(12) H LYS 85 - HA ARG 82 far 0 80 0 - 6.2-9.6 H ARG 71 - HA LYS 73 far 0 96 0 - 6.3-7.4 H THR 88 - HA LEU 29 far 0 37 0 - 6.8-51.1 H ARG 26 - HA LEU 29 far 0 37 0 - 6.9-7.9 H THR 88 - HA ARG 84 far 0 68 0 - 7.2-13.0 H ARG 26 - HA ARG 84 far 0 68 0 - 8.2-40.6 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 6 assignments used, quality = 1.00: * H LEU 86 + HA LYS 85 OK 100 100 100 100 2.3-2.9 3.6=100 H ASN 80 - HA LYS 83 far 0 57 0 - 6.7-11.6 H ASN 80 - HA LYS 85 far 0 87 0 - 7.1-17.4 H LEU 86 - HA LYS 83 far 0 73 0 - 7.4-9.8 H ALA 12 - HA GLU 19 far 0 30 0 - 8.4-26.1 H LYS 13 - HA GLU 19 far 0 51 0 - 9.4-21.9 Violated in 0 structures by 0.00 A. Peak 4024 from cnoeabs.peaks (8.42, 4.30, 55.05 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA LEU 86 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (8.13, 4.32, 56.44 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H THR 88 + HA GLU 87 OK 100 100 100 100 2.1-3.5 3.6=100 H LYS 85 - HA GLU 87 far 0 68 0 - 5.6-8.7 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 2.0-4.4 4.6=100 H LYS 85 - HB2 GLU 87 poor 17 68 25 - 5.2-9.8 H ARG 26 - HB3 GLU 19 far 0 89 0 - 7.4-14.4 H ASN 74 - HB3 GLU 19 far 0 66 0 - 9.6-26.0 H THR 88 - HB3 GLN 91 far 0 91 0 - 9.7-13.3 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 10 assignments used, quality = 1.00: * H THR 88 + HB3 GLU 87 OK 100 100 100 100 2.2-4.4 4.6=94, 402/3.0=78...(11) H ARG 26 + HB3 ARG 26 OK 48 48 100 100 2.6-3.6 3.9=100 H ARG 26 + HB2 ARG 26 OK 46 46 100 100 2.2-3.6 3.9=100 H LYS 85 - HB3 GLU 87 far 10 68 15 - 4.4-10.0 H ARG 26 - HB2 GLU 19 far 0 92 0 - 7.0-14.0 H THR 88 - HB2 GLN 91 far 0 89 0 - 8.3-13.4 H LYS 85 - HB2 ARG 26 far 0 25 0 - 8.5-45.0 H LYS 85 - HB3 ARG 26 far 0 27 0 - 8.6-44.0 H ASN 74 - HB2 GLU 19 far 0 68 0 - 9.1-26.5 H THR 88 - HB3 ARG 26 far 0 48 0 - 9.3-50.3 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 2.1-4.4 3.9=100 H ARG 84 - QG2 THR 88 far 0 68 0 - 8.4-14.4 Violated in 0 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (8.27, 4.17, 60.86 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 90 + HA ILE 89 OK 100 100 100 100 2.1-3.3 412=100, 3.9/5432=10, 4.0/5430=2 H LEU 86 - HA ILE 89 far 0 100 0 - 7.8-11.9 Violated in 4 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 2.2-4.2 4.4=100 H LEU 86 - QG2 ILE 89 far 0 100 0 - 7.6-11.0 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=4 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (8.03, 2.02, 32.55 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 91 + HB VAL 90 OK 100 100 100 100 3.9-4.5 4.4=100 H TYR 81 - HB VAL 76 far 5 54 10 - 4.7-12.3 H ARG 82 - HB VAL 76 far 3 57 5 - 6.5-15.7 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 2.0-3.9 4.1=100 H GLN 91 + QG2 VAL 90 OK 100 100 100 100 2.0-4.4 4.1=100 H TYR 81 - QG1 VAL 76 poor 16 63 25 - 4.0-11.7 H TYR 81 - QG2 VAL 76 poor 12 60 20 - 2.4-10.7 H ARG 82 - QG1 VAL 76 far 3 66 5 - 4.7-13.6 H ARG 82 - QG2 VAL 76 far 3 63 5 - 4.2-13.0 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 2.0-4.4 4.1=100 H GLN 91 + QG1 VAL 90 OK 100 100 100 100 2.0-3.9 4.1=100 H TYR 81 - QG1 VAL 76 poor 15 61 25 - 4.0-11.7 H TYR 81 - QG2 VAL 76 poor 12 58 20 - 2.4-10.7 H ARG 82 - QG1 VAL 76 far 3 64 5 - 4.7-13.6 H ARG 82 - QG2 VAL 76 far 3 61 5 - 4.2-13.0 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 28 assignments used, quality = 1.00: QB ALA 20 + HA2 GLY 21 OK 93 93 100 100 3.7-4.6 4.8=100 QB ALA 20 + HA3 GLY 21 OK 93 93 100 100 3.6-4.9 4.8=100 QB ALA 16 - HA3 GLY 21 far 15 100 15 - 3.6-14.7 QB ALA 16 - HA2 GLY 21 far 10 100 10 - 4.4-15.3 HG3 LYS 75 - HA3 GLY 21 far 7 68 10 - 3.6-25.2 QB ALA 16 - HA3 GLY 18 lone 6 66 75 13 3.8-7.4 3726/3.0=5, 3.6/1245=4, ~3716=3 QB ALA 20 - HA3 GLY 18 lone 5 58 50 18 3.9-7.7 4.5/4800=12, 3726/3.0=1...(5) QB ALA 20 - HA2 GLY 18 lone 4 56 45 17 4.3-7.7 4.5/4800=12, 3726/3.0=1...(5) QB ALA 16 - HA2 GLY 18 lone 4 64 60 10 3.9-7.9 3726/3.0=5, ~3716=3, 3.6/4829=1 QB ALA 78 - HA2 GLY 21 far 4 73 5 - 2.9-25.7 QB ALA 78 - HA3 GLY 21 far 4 73 5 - 3.5-24.9 QB ALA 28 - HA3 GLY 21 far 4 71 5 - 5.3-10.6 HG2 LYS 75 - HA3 GLY 21 far 3 68 5 - 2.1-24.7 HG2 LYS 75 - HA2 GLY 21 far 3 68 5 - 3.6-26.1 HG3 LYS 75 - HA2 GLY 21 far 3 68 5 - 5.2-26.3 QB ALA 28 - HA3 GLY 18 far 2 40 5 - 5.2-15.8 QB ALA 78 - HA2 GLY 18 far 2 40 5 - 5.9-30.6 QB ALA 28 - HA2 GLY 18 far 2 39 5 - 6.0-16.2 HG3 LYS 75 - HA3 GLY 18 far 2 38 5 - 5.9-31.9 HG3 LYS 75 - HA2 GLY 18 far 2 37 5 - 5.5-32.4 HG2 LYS 75 - HA2 GLY 18 far 2 37 5 - 6.1-32.4 QB ALA 28 - HA2 GLY 21 far 0 71 0 - 6.6-10.9 HG2 LYS 75 - HA3 GLY 18 far 0 38 0 - 6.9-31.9 QB ALA 77 - HA2 GLY 18 far 0 58 0 - 7.1-26.9 QB ALA 78 - HA3 GLY 18 far 0 42 0 - 7.1-30.5 QB ALA 77 - HA3 GLY 21 far 0 96 0 - 7.2-24.9 QB ALA 77 - HA2 GLY 21 far 0 96 0 - 7.4-25.1 QB ALA 77 - HA3 GLY 18 far 0 60 0 - 8.6-26.7 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 27 assignments used, quality = 0.64: HB3 ARG 17 + HA3 GLY 18 OK 41 52 100 79 4.0-5.7 1.8/5496=42, ~5496=31...(8) HB3 ARG 17 + HA2 GLY 18 OK 39 50 100 78 4.0-6.1 1.8/5496=39, ~5496=32...(8) HG3 ARG 26 - HA2 GLY 21 poor 18 95 65 30 3.9-9.3 1.8/5495=6, ~5495=5...(7) HG3 ARG 26 - HA3 GLY 21 poor 18 94 65 29 4.3-10.5 1.8/5495=6, ~5495=5...(7) HB3 ARG 17 - HA2 GLY 21 far 4 87 5 - 5.0-14.4 HB3 ARG 17 - HA3 GLY 21 far 4 87 5 - 4.9-14.8 HB3 LYS 75 - HA3 GLY 21 far 3 68 5 - 4.8-24.9 HB3 LYS 75 - HA2 GLY 21 far 3 68 5 - 6.5-26.2 HG3 ARG 71 - HA3 GLY 18 far 3 62 5 - 5.4-26.4 HG3 ARG 71 - HA2 GLY 18 far 3 60 5 - 6.4-26.3 HB3 LYS 75 - HA2 GLY 18 far 2 37 5 - 6.5-30.3 HB3 ARG 82 - HA2 GLY 21 far 0 100 0 - 6.8-37.2 HB3 LYS 75 - HA3 GLY 18 far 0 38 0 - 7.1-29.5 HG3 ARG 71 - HA3 GLY 21 far 0 97 0 - 7.2-21.3 HG3 ARG 26 - HA3 GLY 18 far 0 59 0 - 7.6-16.4 HB3 ARG 82 - HA3 GLY 21 far 0 100 0 - 8.1-38.5 HB3 LYS 32 - HA3 GLY 18 far 0 60 0 - 8.2-23.8 HG3 ARG 26 - HA2 GLY 18 far 0 57 0 - 8.3-16.3 HB ILE 33 - HA3 GLY 18 far 0 65 0 - 8.6-20.3 HG3 ARG 71 - HA2 GLY 21 far 0 97 0 - 8.6-20.4 HB ILE 33 - HA2 GLY 18 far 0 62 0 - 8.9-20.9 HB3 LYS 73 - HA2 GLY 18 far 0 53 0 - 9.0-28.2 HB3 LYS 39 - HA2 GLY 18 far 0 45 0 - 9.1-24.9 HB3 LYS 32 - HA2 GLY 18 far 0 58 0 - 9.4-24.5 HB2 LYS 32 - HA3 GLY 18 far 0 60 0 - 9.5-22.6 HB3 LYS 73 - HA3 GLY 18 far 0 55 0 - 9.5-27.4 HB3 LYS 39 - HA3 GLY 18 far 0 47 0 - 9.6-24.7 Violated in 1 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (2.05, 3.95, 45.26 ppm; 4.68 A): 6 out of 14 assignments used, quality = 0.95: HB2 GLU 25 + HA3 GLY 21 OK 45 100 75 60 2.4-6.7 4152/3.5=30, 3.0/5284=15...(11) HB2 GLU 25 + HA2 GLY 21 OK 44 100 75 58 3.7-6.5 4152/3.5=30, 3.0/5284=15...(9) HB3 GLU 25 + HA3 GLY 21 OK 41 100 70 59 2.1-7.7 4152/3.5=27, 3.0/5284=15...(11) HB3 GLU 25 + HA2 GLY 21 OK 41 100 70 58 3.4-7.8 4152/3.5=27, 3.0/5284=15...(10) HB3 GLU 19 + HA2 GLY 18 OK 33 54 90 67 4.3-6.6 3.9/25=27, 3.0/4800=15...(11) HB3 GLU 19 + HA3 GLY 18 OK 30 56 80 67 4.7-6.5 3.9/25=27, 3.0/4800=15...(11) HB3 GLU 19 - HA3 GLY 21 poor 18 92 20 - 3.8-9.0 HB2 GLU 25 - HA3 GLY 18 far 10 67 15 - 4.7-14.4 HB3 GLU 25 - HA3 GLY 18 far 10 67 15 - 4.3-14.6 HB3 GLU 25 - HA2 GLY 18 far 6 65 10 - 5.6-14.7 HB3 GLU 19 - HA2 GLY 21 lone 6 92 40 17 4.8-9.0 1219/5494=9, ~33=4...(4) HB2 GLU 25 - HA2 GLY 18 far 0 65 0 - 6.3-14.4 HB VAL 76 - HA3 GLY 21 far 0 98 0 - 8.5-26.8 HB VAL 76 - HA2 GLY 21 far 0 98 0 - 9.5-26.2 Violated in 1 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (2.05, 4.45, 58.33 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.95: HB2 GLU 25 + HA SER 22 OK 88 100 90 98 2.3-6.3 3.0/5500=46, 4155/3.0=37...(15) HB3 GLU 25 + HA SER 22 OK 58 99 60 98 3.8-7.4 3.0/5500=46, ~5498=29...(15) HB3 GLU 19 - HA SER 22 far 5 97 5 - 5.6-12.3 HB VAL 76 - HA TYR 81 far 5 95 5 - 4.3-14.4 HB VAL 45 - HA TYR 81 far 0 81 0 - 7.1-27.7 HD2 ARG 69 - HA TYR 81 far 0 79 0 - 10.0-22.7 Violated in 7 structures by 0.16 A. Peak 4154 from cnoeabs.peaks (2.05, 4.01, 63.89 ppm; 5.24 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 25 + HB2 SER 22 OK 99 100 100 99 2.0-5.6 4155/1.8=56, 4.0/5085=56...(9) HB3 GLU 25 + HB2 SER 22 OK 88 99 90 99 2.7-7.4 4.0/5085=56, ~5498=50...(9) HB3 GLU 19 - HB2 SER 22 far 10 97 10 - 3.7-13.3 HB VAL 76 - HB2 SER 22 far 0 100 0 - 7.6-21.7 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 4 assignments used, quality = 0.92: HB2 GLU 25 + HB3 SER 22 OK 83 100 85 97 3.0-6.8 3.0/5498=53, 4.0/5084=43...(10) HB3 GLU 25 + HB3 SER 22 OK 53 100 55 97 2.4-8.1 3.0/5498=53, 4.0/5084=43...(10) HB3 GLU 19 - HB3 SER 22 far 5 90 5 - 4.9-13.8 HB VAL 76 - HB3 SER 22 far 0 97 0 - 7.6-22.1 Violated in 10 structures by 0.25 A. Peak 4157 from cnoeabs.peaks (1.86, 4.49, 56.18 ppm; 3.52 A): 4 out of 9 assignments used, quality = 0.99: HB2 ARG 27 + HA ASP 24 OK 81 100 100 81 2.2-5.0 4.1/5383=33, 4.3/6057=24...(14) HB3 ARG 27 + HA ASP 24 OK 74 100 90 82 3.4-5.8 4.1/5383=33, 4.3/6057=24...(16) HB3 ARG 23 + HA ASP 24 OK 56 97 90 64 3.9-5.6 45/3.0=22, ~44=13...(12) HB2 ARG 23 + HA ASP 24 OK 40 97 65 64 4.0-5.7 45/3.0=21, ~44=13...(12) HB2 ARG 26 - HA ASP 24 poor 16 78 20 - 4.6-7.2 HB3 ARG 71 - HA ASP 24 far 5 100 5 - 4.0-10.2 HB2 ARG 71 - HA ASP 24 far 5 100 5 - 4.9-9.4 HB2 LYS 75 - HA ASP 24 far 0 92 0 - 5.6-21.0 HB3 ARG 26 - HA ASP 24 far 0 76 0 - 5.7-7.6 Violated in 2 structures by 0.00 A. Peak 4160 from cnoeabs.peaks (0.80, 2.59, 40.55 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.86: QG2 ILE 68 + HB3 ASP 24 OK 71 99 80 89 3.0-7.1 ~4760=38, 4752=29...(9) QD1 ILE 68 + HB3 ASP 24 OK 35 83 45 94 3.5-7.6 4760/1.8=60, ~5976=28...(14) QD1 LEU 43 + HB3 ASP 47 OK 29 29 100 100 2.3-4.3 2.1/4389=75, ~4907=54...(16) QG1 VAL 41 - HB3 ASP 24 far 0 100 0 - 6.7-9.8 QG1 VAL 41 - HB3 ASP 47 far 0 59 0 - 9.1-10.5 Violated in 1 structures by 0.00 A. Peak 4161 from cnoeabs.peaks (1.33, 4.09, 58.48 ppm; 3.49 A): 2 out of 14 assignments used, quality = 0.98: QB ALA 28 + HA GLU 25 OK 96 100 100 96 2.5-3.7 4181=72, 6128/4162=44...(13) QB ALA 28 + HA ARG 26 OK 39 78 65 77 4.6-5.2 5520/3.6=29, 4181=28...(11) QB ALA 28 - HA ARG 27 poor 14 55 25 - 5.0-5.0 QB ALA 16 - HA ARG 26 far 8 51 15 - 3.7-19.6 QB ALA 12 - HA ARG 26 far 4 78 5 - 4.7-26.5 QB ALA 16 - HA GLU 25 far 4 73 5 - 3.7-16.3 QB ALA 16 - HA ARG 71 far 0 63 0 - 6.9-25.8 QB ALA 12 - HA GLU 25 far 0 100 0 - 7.4-27.6 QB ALA 16 - HA ARG 27 far 0 34 0 - 7.5-18.1 QB ALA 12 - HA ARG 27 far 0 55 0 - 8.4-28.0 HG3 LYS 32 - HA ARG 26 far 0 76 0 - 9.0-11.8 HG3 LYS 32 - HA ARG 27 far 0 54 0 - 9.1-10.2 QB ALA 28 - HA ARG 71 far 0 92 0 - 9.4-12.5 QG2 THR 58 - HA ARG 27 far 0 36 0 - 10.0-14.0 Violated in 1 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (1.17, 4.09, 58.48 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: QG2 THR 37 + HA GLU 25 OK 100 100 100 100 2.6-4.1 5105=99, 6128/4181=42...(12) QG2 THR 15 - HA ARG 26 far 0 53 0 - 6.0-19.2 QG2 THR 37 - HA ARG 26 far 0 78 0 - 6.1-8.2 QG2 THR 37 - HA ARG 27 far 0 55 0 - 7.0-9.3 QG2 THR 15 - HA ARG 27 far 0 36 0 - 7.4-21.1 QG2 THR 15 - HA GLU 25 far 0 76 0 - 7.5-19.8 QG2 THR 37 - HA ARG 71 far 0 92 0 - 8.1-11.0 HG12 ILE 89 - HA ARG 26 far 0 47 0 - 8.5-54.2 QG2 THR 15 - HA ARG 71 far 0 65 0 - 9.1-29.6 QG2 THR 88 - HA ARG 26 far 0 55 0 - 9.6-43.7 Violated in 3 structures by 0.02 A. Peak 4163 from cnoeabs.peaks (0.85, 4.09, 58.48 ppm; 4.11 A): 3 out of 15 assignments used, quality = 0.99: QD2 LEU 29 + HA GLU 25 OK 87 100 95 92 3.3-8.2 4840/4162=38...(13) QD2 LEU 29 + HA ARG 26 OK 77 78 100 99 1.9-4.6 3.1/5348=58, 3.1/5394=38...(21) QD2 LEU 64 + HA ARG 27 OK 54 55 100 98 3.9-5.4 5015/3.6=40, 5162/5.0=39...(21) QD2 LEU 29 - HA ARG 27 poor 17 55 40 79 5.3-6.2 4839/5.0=34...(8) QD2 LEU 64 - HA GLU 25 far 5 100 5 - 5.3-7.5 QD2 LEU 86 - HA GLU 25 far 5 90 5 - 3.9-37.4 QD2 LEU 86 - HA ARG 26 far 3 66 5 - 1.9-41.4 QD2 LEU 86 - HA ARG 27 far 0 45 0 - 5.7-42.1 QD2 LEU 64 - HA ARG 26 far 0 78 0 - 6.8-8.1 QG2 ILE 89 - HA ARG 26 far 0 76 0 - 7.5-47.4 QG2 ILE 89 - HA ARG 27 far 0 54 0 - 8.2-47.7 QG2 ILE 89 - HA GLU 25 far 0 99 0 - 9.3-43.4 QG2 ILE 89 - HA ARG 71 far 0 90 0 - 9.4-38.9 QD2 LEU 64 - HA ARG 71 far 0 92 0 - 9.4-12.4 QD2 LEU 86 - HA ARG 71 far 0 80 0 - 9.9-33.8 Violated in 1 structures by 0.01 A. Peak 4164 from cnoeabs.peaks (1.16, 2.26, 36.07 ppm; 5.02 A): 1 out of 6 assignments used, quality = 0.98: QG2 THR 37 + HG2 GLU 25 OK 98 99 100 99 2.2-5.5 4162/1332=77...(9) QG2 THR 37 - HG2 GLU 19 poor 18 59 30 - 4.9-15.3 QG2 THR 37 - HG3 GLU 19 poor 18 59 30 - 5.3-15.5 QG2 THR 15 - HG3 GLU 19 far 3 32 10 - 4.4-14.0 QG2 THR 15 - HG2 GLU 19 far 3 32 10 - 4.6-14.1 QG2 THR 15 - HG2 GLU 25 far 0 63 0 - 9.3-20.0 Violated in 1 structures by 0.02 A. Peak 4165 from cnoeabs.peaks (0.86, 2.26, 36.07 ppm; 4.63 A): 2 out of 10 assignments used, quality = 0.75: QD2 LEU 29 + HG2 GLU 25 OK 68 85 90 89 1.9-9.8 4804/1.8=40...(11) QD1 LEU 29 + HG2 GLU 25 OK 21 89 30 78 4.3-7.6 ~4804=28, 5367/58=28...(7) QD2 LEU 29 - HG2 GLU 19 poor 14 46 30 - 2.4-19.4 QD2 LEU 29 - HG3 GLU 19 poor 14 46 30 - 3.0-19.8 QD1 LEU 29 - HG2 GLU 19 far 5 49 10 - 2.7-17.4 QD1 LEU 29 - HG3 GLU 19 far 5 49 10 - 3.0-17.7 QD1 LEU 86 - HG2 GLU 25 far 4 71 5 - 5.7-36.8 QD2 LEU 64 - HG2 GLU 25 far 0 85 0 - 7.1-10.4 QD2 LEU 64 - HG2 GLU 19 far 0 46 0 - 9.0-18.1 QD2 LEU 64 - HG3 GLU 19 far 0 46 0 - 9.6-18.5 Violated in 18 structures by 0.56 A. Peak 4167 from cnoeabs.peaks (1.36, 2.05, 29.32 ppm; 4.64 A): 4 out of 20 assignments used, quality = 0.97: QB ALA 28 + HB2 GLU 25 OK 77 78 100 98 3.4-5.9 4181/3.0=47, 5512/3.0=41...(17) QB ALA 28 + HB3 GLU 25 OK 76 78 100 98 4.2-5.3 4181/3.0=47, 5512/3.0=41...(17) QB ALA 20 + HB3 GLU 25 OK 29 89 80 41 2.1-8.3 5514/3.0=9, 5512/3.0=8...(10) QB ALA 20 + HB2 GLU 25 OK 26 89 70 42 2.4-7.6 5514/3.0=9, 4.8/4151=8...(10) HG2 LYS 85 - HB3 GLU 25 far 4 89 5 - 6.0-43.6 QB ALA 12 - HB3 GLU 25 far 3 63 5 - 5.7-27.2 HG3 LYS 75 - HB2 GLU 25 far 3 60 5 - 5.2-24.0 HG2 LYS 75 - HB2 GLU 25 far 3 60 5 - 5.3-23.8 QB ALA 16 - HB3 GLU 25 lone 1 100 35 2 3.4-17.9 QB ALA 16 - HB2 GLU 25 lone 0 100 25 2 4.8-17.2 HG2 LYS 75 - HB3 GLU 25 far 0 60 0 - 6.3-24.2 HG3 LYS 75 - HB3 GLU 25 far 0 60 0 - 6.4-24.4 QB ALA 12 - HB2 GLU 25 far 0 63 0 - 6.5-26.3 HG2 LYS 85 - HB2 GLU 25 far 0 89 0 - 7.2-42.9 HB2 LEU 52 - HB2 GLU 50 far 0 46 0 - 8.1-8.9 HB2 LEU 52 - HB3 GLU 50 far 0 46 0 - 8.2-8.9 QB ALA 78 - HB2 GLU 25 far 0 65 0 - 8.3-23.2 HB2 LEU 52 - HB3 PRO 56 far 0 33 0 - 8.5-10.7 QB ALA 78 - HB3 GLU 25 far 0 65 0 - 9.4-23.3 HG2 LYS 83 - HB3 GLU 25 far 0 99 0 - 9.6-37.4 Violated in 1 structures by 0.00 A. Peak 4168 from cnoeabs.peaks (0.85, 2.05, 29.32 ppm; 5.13 A): 5 out of 16 assignments used, quality = 1.00: QD2 LEU 29 + HB3 GLU 25 OK 91 98 95 97 2.4-7.7 4165/3.0=55, 4804/3.0=39...(16) QD2 LEU 29 + HB2 GLU 25 OK 91 98 95 97 2.4-8.3 4165/3.0=55, 4804/3.0=39...(16) QD1 LEU 29 + HB2 GLU 25 OK 62 65 100 95 4.5-6.4 ~4165=40, 5367/4.7=28...(14) QD1 LEU 29 + HB3 GLU 25 OK 62 65 100 95 3.3-5.6 ~4165=40, 5367/4.7=28...(14) QD1 LEU 43 + HB2 GLU 50 OK 27 48 85 67 4.9-7.2 2030/4.7=22...(7) QD1 LEU 43 - HB3 GLU 50 poor 8 48 50 34 5.7-7.8 2030/4.7=22, 4914/4441=6...(4) QD2 LEU 86 - HB3 GLU 25 far 4 81 5 - 2.9-38.2 QD2 LEU 86 - HB2 GLU 25 far 4 81 5 - 3.9-38.5 QD1 LEU 62 - HB3 PRO 56 far 2 39 5 - 6.3-9.9 QD2 LEU 64 - HB3 GLU 25 far 0 98 0 - 7.1-9.5 QD2 LEU 64 - HB2 GLU 25 far 0 98 0 - 7.6-9.5 QD1 LEU 62 - HB3 GLU 50 far 0 54 0 - 8.8-11.9 QD1 LEU 62 - HB2 GLU 50 far 0 54 0 - 9.1-11.8 QG2 ILE 89 - HB3 PRO 56 far 0 50 0 - 9.2-45.6 QG2 ILE 89 - HB3 GLU 25 far 0 96 0 - 9.6-44.4 QD2 LEU 64 - HB3 PRO 56 far 0 53 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (1.21, 3.96, 54.22 ppm; 4.33 A): 2 out of 5 assignments used, quality = 0.99: HG13 ILE 33 + HA ALA 28 OK 99 99 100 100 2.0-4.1 4228=76, 2.1/4174=67...(20) QG2 VAL 65 + HA ALA 28 OK 51 100 65 78 4.8-6.5 4725/4174=26...(13) QG2 THR 15 - HA ALA 28 far 4 83 5 - 5.6-18.6 QG1 VAL 65 - HA ALA 28 far 0 81 0 - 6.6-8.3 HG13 ILE 40 - HA ALA 28 far 0 83 0 - 8.0-9.8 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 6 assignments used, quality = 0.99: QD2 LEU 64 + HA ALA 28 OK 98 98 100 100 1.9-3.5 5162/2.1=63, 4384=50...(27) QD2 LEU 29 + HA ALA 28 OK 62 98 75 85 4.2-6.5 4839/2.1=45, 550/3.6=25...(14) QG2 ILE 68 - HA ALA 28 far 0 65 0 - 5.2-7.7 QD1 ILE 89 - HA ALA 28 far 0 71 0 - 5.5-44.5 QD2 LEU 86 - HA ALA 28 far 0 100 0 - 5.8-39.4 QG2 ILE 89 - HA ALA 28 far 0 99 0 - 6.0-44.9 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 1.9-3.7 5196/2.1=91, 2.1/4228=67...(22) QD2 LEU 57 - HA ALA 28 far 0 100 0 - 6.4-8.5 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.46, 3.96, 54.22 ppm; 4.26 A): 2 out of 6 assignments used, quality = 0.98: HG12 ILE 33 + HA ALA 28 OK 87 87 100 100 2.0-4.6 2.1/4174=65, 1.8/4228=65...(23) QB ALA 30 + HA ALA 28 OK 85 89 100 95 4.9-5.6 3.6/4182=44, ~5535=35...(15) QB ALA 63 - HA ALA 28 far 0 73 0 - 7.9-9.8 HG3 LYS 13 - HA ALA 28 far 0 99 0 - 8.6-26.5 HG13 ILE 89 - HA ALA 28 far 0 76 0 - 8.8-51.8 HB3 LEU 57 - HA ALA 28 far 0 99 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 4176 from cnoeabs.peaks (1.92, 3.96, 54.22 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.97: HB2 MET 31 + HA ALA 28 OK 93 93 100 100 2.3-5.0 1.8/5529=58, 556/4182=49...(18) HG13 ILE 68 + HA ALA 28 OK 60 100 60 99 4.7-7.6 2.1/5928=80, ~5302=59...(14) HB ILE 68 - HA ALA 28 far 0 71 0 - 6.4-8.1 HG12 ILE 40 - HA ALA 28 far 0 89 0 - 7.7-9.5 HB2 GLU 19 - HA ALA 28 far 0 96 0 - 8.8-19.1 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 7 assignments used, quality = 1.00: QD2 LEU 64 + QB ALA 28 OK 97 97 100 99 2.4-4.7 5162=77, 6122/5196=47...(20) QD2 LEU 29 + QB ALA 28 OK 90 97 95 97 2.3-5.7 4839=44, 1482/4183=37...(20) QG2 ILE 68 + QB ALA 28 OK 56 68 90 91 3.6-5.5 2.9/5302=52, 2.1/4837=40...(12) QD2 LEU 86 - QB ALA 28 far 5 100 5 - 3.8-31.5 QG2 ILE 89 - QB ALA 28 far 5 99 5 - 5.0-36.2 QD1 ILE 89 - QB ALA 28 far 4 73 5 - 4.0-35.8 QD1 LEU 43 - QB ALA 28 far 0 100 0 - 8.1-9.9 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 2.1-3.9 5196=99, 3.2/4180=72...(18) QD2 LEU 57 - QB ALA 28 far 10 100 10 - 5.5-7.9 Violated in 0 structures by 0.00 A. Peak 4179 from cnoeabs.peaks (0.28, 1.34, 17.80 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.71: QG2 ILE 33 + QB ALA 28 OK 71 71 100 100 2.6-4.1 2.1/4180=85, 3.2/5196=66...(18) Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (1.75, 1.34, 17.80 ppm; 3.50 A): 1 out of 13 assignments used, quality = 0.92: HB ILE 33 + QB ALA 28 OK 92 92 100 100 2.1-3.3 4219=70, 2.1/4179=51...(19) HB3 ARG 17 - QB ALA 28 far 5 97 5 - 5.0-16.7 HG3 ARG 26 - QB ALA 28 far 0 100 0 - 6.0-7.2 HB3 LYS 39 - QB ALA 28 far 0 60 0 - 6.7-10.1 HB3 LYS 32 - QB ALA 28 far 0 83 0 - 6.7-8.2 HB2 LYS 32 - QB ALA 28 far 0 83 0 - 6.8-7.7 HG2 PRO 34 - QB ALA 28 far 0 99 0 - 6.9-8.8 HG3 ARG 71 - QB ALA 28 far 0 100 0 - 7.3-11.6 HB2 PRO 34 - QB ALA 28 far 0 68 0 - 7.8-9.1 HB2 ARG 84 - QB ALA 28 far 0 65 0 - 8.7-32.1 HB2 LEU 57 - QB ALA 28 far 0 95 0 - 9.5-11.1 HB2 LEU 62 - QB ALA 28 far 0 99 0 - 9.9-11.8 HB2 LEU 43 - QB ALA 28 far 0 60 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (4.09, 1.34, 17.80 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.98: HA GLU 25 + QB ALA 28 OK 96 100 100 96 2.5-3.7 4161=70, 4162/6128=43...(14) HA ARG 26 + QB ALA 28 OK 38 83 60 77 4.6-5.2 3.6/5520=29, 4161=28...(11) HA ARG 27 - QB ALA 28 far 7 65 10 - 5.0-5.0 HA ARG 71 - QB ALA 28 far 0 95 0 - 9.4-12.5 HA ALA 63 - QB ALA 28 far 0 65 0 - 9.4-11.1 Violated in 1 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 3.4-4.0 5525/3.6=59, 4193=55...(17) H GLN 61 - HA ALA 28 far 0 78 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (1.34, 4.16, 56.71 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 28 + HA LEU 29 OK 100 100 100 100 3.6-3.9 78/3.0=83, 4.9=71...(14) HG3 LYS 32 - HA LEU 29 poor 20 99 20 - 4.6-7.6 QB ALA 12 - HA LEU 29 far 5 100 5 - 5.1-22.6 QB ALA 16 - HA LEU 29 lone 0 76 30 1 3.4-21.6 QB ALA 28 - HA LYS 73 far 0 91 0 - 9.5-12.6 QG2 THR 58 - HA LEU 29 far 0 73 0 - 9.5-13.9 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 9 assignments used, quality = 1.00: HA ARG 26 + HB3 LEU 29 OK 99 99 100 100 3.8-4.6 5394=96, 5348/1.8=74...(13) HA ALA 63 + HB3 LEU 62 OK 90 91 100 98 3.8-4.4 ~3907=41, ~256=41...(18) HA ARG 26 - HB3 LEU 86 far 0 76 0 - 5.7-47.7 HA GLU 25 - HB3 LEU 29 far 0 93 0 - 6.4-7.8 HA GLU 25 - HB3 LEU 86 far 0 67 0 - 6.9-42.9 HA VAL 90 - HB3 LEU 29 far 0 100 0 - 7.9-59.2 HA ALA 63 - HB3 LEU 86 far 0 69 0 - 8.7-45.4 HA VAL 90 - HB3 LEU 86 far 0 78 0 - 9.3-14.4 HA ARG 71 - HB3 LEU 86 far 0 78 0 - 9.9-38.2 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 10 assignments used, quality = 0.99: HA GLU 59 + QD1 LEU 62 OK 96 98 100 99 2.6-3.4 4639=73, 5364/2.1=50...(11) HA ARG 26 + QD1 LEU 29 OK 80 89 100 90 1.9-3.1 5394/3.1=37, 5929/2.1=29...(16) HA ARG 26 - QD1 LEU 86 far 4 84 5 - 2.9-41.9 HA ALA 63 - QD1 LEU 62 far 0 96 0 - 5.3-6.2 HA ALA 63 - QD1 LEU 86 far 0 93 0 - 5.4-40.0 HA VAL 90 - QD1 LEU 86 far 0 68 0 - 6.0-13.1 HA GLU 59 - QD1 LEU 86 far 0 96 0 - 7.1-42.2 HA VAL 90 - QD1 LEU 29 far 0 73 0 - 8.3-49.4 HA ARG 71 - QD1 LEU 86 far 0 68 0 - 8.5-34.1 HA PHE 48 - QD1 LEU 62 far 0 74 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (0.85, 4.13, 53.99 ppm; 5.33 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 29 + HA ALA 30 OK 100 100 100 100 2.7-5.9 3768/3.0=79, 2.1/4842=74...(21) QD2 LEU 64 + HA ALA 30 OK 53 100 60 88 6.2-7.2 5029/2.1=45, 85/3.0=39...(7) QG2 ILE 89 - HA ALA 30 far 5 100 5 - 5.3-50.0 QD2 LEU 86 - HA ALA 30 far 5 93 5 - 6.7-44.3 Violated in 14 structures by 0.08 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 3.7-4.1 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 5 assignments used, quality = 1.00: HG12 ILE 33 + HB2 MET 31 OK 99 99 100 100 2.0-4.8 2.1/6120=55, 574/5181=49...(20) QB ALA 30 + HB2 MET 31 OK 99 99 100 100 4.1-5.1 3.6/556=76, 5305/3.0=63...(12) HG3 LYS 13 - HB2 MET 31 far 0 87 0 - 7.7-26.5 HG2 LYS 13 - HB2 MET 31 far 0 92 0 - 8.4-27.6 HG13 ILE 89 - HB2 MET 31 far 0 100 0 - 9.5-53.3 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 6 assignments used, quality = 1.00: QB ALA 30 + HB3 MET 31 OK 100 100 100 100 4.4-5.5 3.6/557=75, 5305/3.0=70...(11) HG12 ILE 33 + HB3 MET 31 OK 100 100 100 100 2.6-5.7 2.1/4846=53, ~6120=45...(18) HB3 LEU 43 + HB3 PRO 44 OK 43 43 100 100 5.4-6.0 4403/3.0=64...(25) HB3 LEU 57 - HB3 MET 31 far 4 78 5 - 6.2-8.5 HG3 LYS 13 - HB3 MET 31 far 0 97 0 - 8.5-26.8 HG2 LYS 13 - HB3 MET 31 far 0 76 0 - 8.9-27.9 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 4 assignments used, quality = 1.00: QB ALA 30 + HG2 MET 31 OK 97 97 100 100 3.1-4.9 6116=83, 5305/1.8=70...(13) HG12 ILE 33 + HG2 MET 31 OK 93 98 95 100 3.9-6.4 2.1/4847=61, ~4848=45...(17) HG3 LYS 13 - HG2 MET 31 far 0 81 0 - 7.3-28.5 HG2 LYS 13 - HG2 MET 31 far 0 96 0 - 8.8-29.7 Violated in 1 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (0.84, 2.63, 32.57 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.99: QD2 LEU 64 + HG2 MET 31 OK 99 99 100 100 1.8-3.4 5021=70, 4200/1.8=67...(26) QD2 LEU 29 - HG2 MET 31 far 0 99 0 - 6.7-8.5 QG2 ILE 68 - HG2 MET 31 far 0 63 0 - 7.4-10.2 QG2 ILE 89 - HG2 MET 31 far 0 100 0 - 7.7-47.8 QD1 ILE 89 - HG2 MET 31 far 0 68 0 - 7.7-47.6 QD2 LEU 86 - HG2 MET 31 far 0 100 0 - 8.1-42.6 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 5 assignments used, quality = 1.00: QB ALA 30 + HG3 MET 31 OK 100 100 100 100 2.6-4.8 5305=91, 6116/1.8=75...(12) HG12 ILE 33 + HG3 MET 31 OK 95 100 95 100 4.0-6.5 2.1/4848=62, ~4847=48...(17) HB3 LEU 57 - HG3 MET 31 far 0 78 0 - 6.9-11.1 HG3 LYS 13 - HG3 MET 31 far 0 97 0 - 7.5-27.4 HG2 LYS 13 - HG3 MET 31 far 0 76 0 - 9.0-28.6 Violated in 1 structures by 0.01 A. Peak 4200 from cnoeabs.peaks (0.84, 2.52, 32.57 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 64 + HG3 MET 31 OK 100 100 100 100 1.8-3.4 4198/1.8=81, 6121/3.0=67...(24) QD2 LEU 29 - HG3 MET 31 far 0 100 0 - 6.2-9.1 QG2 ILE 89 - HG3 MET 31 far 0 100 0 - 7.2-46.5 QD2 LEU 86 - HG3 MET 31 far 0 98 0 - 7.7-41.2 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 = 1.00: HA ALA 28 + HG2 MET 31 OK 100 100 100 100 2.9-5.7 5529/3.0=51, 5530=50...(17) HA GLN 61 + HG2 MET 31 OK 91 97 95 98 2.3-6.3 5079/3.3=49, 4202/1.8=37...(16) HA LYS 32 - HG2 MET 31 far 0 78 0 - 6.5-7.5 HA THR 37 - HG2 MET 31 far 0 85 0 - 8.8-12.2 HA ARG 66 - HG2 MET 31 far 0 78 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (3.96, 2.52, 32.57 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 28 + HG3 MET 31 OK 100 100 100 100 2.8-5.8 5530/1.8=57, 5529/3.0=55...(16) HA GLN 61 + HG3 MET 31 OK 98 99 100 99 2.9-6.1 5079/3.3=53, 4201/1.8=39...(16) HA LYS 32 - HG3 MET 31 far 0 87 0 - 6.3-7.6 HA THR 37 - HG3 MET 31 far 0 76 0 - 9.1-12.2 Violated in 1 structures by 0.01 A. Peak 4203 from cnoeabs.peaks (3.95, 1.94, 32.66 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 28 + HB2 MET 31 OK 100 100 100 100 2.3-5.0 5529/1.8=54, 4176=52...(19) HA GLN 61 + HB2 MET 31 OK 91 97 100 93 3.0-5.8 5079/4.3=38...(13) HA LYS 32 + HB2 MET 31 OK 71 78 100 90 4.8-5.7 3.6/5181=43, ~90=35...(11) HA THR 37 - HB2 MET 31 far 0 85 0 - 8.5-10.8 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 2.1-3.7 5763=93, 1.7/5762=86...(16) QE TYR 55 - HA ILE 33 far 0 100 0 - 6.7-8.9 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (6.93, 0.31, 17.04 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QG2 ILE 33 OK 94 95 100 100 2.4-3.8 4583=76, 2.2/4208=57...(29) HZ PHE 35 + QG2 ILE 33 OK 92 93 100 99 2.8-4.7 2.2/4583=60, 4596=48...(22) HZ PHE 48 - QG2 ILE 33 far 0 90 0 - 6.4-8.6 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 2.3-3.6 2.2/4583=71, 4.5/4248=62...(26) Violated in 0 structures by 0.00 A. Peak 4209 from cnoeabs.peaks (6.30, 0.31, 17.04 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.95: H PHE 35 + QG2 ILE 33 OK 95 96 100 100 1.8-2.2 4248=95, 110/4215=32...(18) 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 = 0.97: HE21 GLN 61 + QD1 ILE 33 OK 93 93 100 100 1.8-4.3 1.7/4213=66, 3.5/4224=59...(20) H LEU 64 + QD1 ILE 33 OK 64 71 95 94 4.3-5.6 4.4/6122=52, 4.0/5026=37...(11) H LEU 52 - QD1 ILE 33 far 0 92 0 - 8.5-10.0 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 3 assignments used, quality = 0.98: H VAL 65 + QD1 ILE 33 OK 98 99 100 100 3.1-4.7 269/6122=73, 5795=63...(11) H ALA 16 - QD1 ILE 33 far 0 81 0 - 8.6-18.1 H ARG 17 - QD1 ILE 33 far 0 100 0 - 9.6-17.8 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 3.5-5.1 4583/3.2=80, 2.2/5551=52...(24) HZ PHE 35 + QD1 ILE 33 OK 100 100 100 100 3.2-5.7 4596/3.2=63, 4593=50...(20) HZ PHE 48 - QD1 ILE 33 far 0 100 0 - 6.3-8.7 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 2.4-4.2 3.5/4224=69...(21) QE TYR 55 - QD1 ILE 33 far 0 100 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 4214 from cnoeabs.peaks (3.54, 0.31, 17.04 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QG2 ILE 33 OK 100 100 100 100 2.3-4.0 4.1=92, 1.8/4215=84...(32) HA ILE 68 - QG2 ILE 33 far 0 63 0 - 7.2-9.5 Violated in 1 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 1.8-3.6 4.1=70, 1.8/4214=64...(33) 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 1.9-2.3 4236=89, 1.8/4217=76...(19) 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 2.0-2.5 3.8=74, 1.8/4216=67...(19) HD3 PRO 36 - HA ILE 33 far 0 68 0 - 8.2-8.7 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 5 assignments used, quality = 0.98: QB ALA 28 + HB ILE 33 OK 98 98 100 100 2.1-3.3 4180=90, 4179/2.1=60...(20) HG3 LYS 32 - HB ILE 33 far 0 100 0 - 7.4-8.2 QG2 THR 58 - HB ILE 33 far 0 89 0 - 8.6-11.4 QB ALA 12 - HB ILE 33 far 0 100 0 - 9.2-23.6 HB2 LEU 52 - HB ILE 33 far 0 99 0 - 10.0-12.9 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 97 99 100 99 2.3-3.7 4300=86, 4313/5597=25...(15) HG3 PRO 34 + QG2 ILE 33 OK 81 81 100 100 3.0-4.0 2.3/4215=65, 2.3/4214=58...(32) QD1 LEU 57 + QG2 ILE 33 OK 61 65 100 93 3.6-5.0 2.1/4612=51...(15) 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 = 0.94: QD1 LEU 57 + QD1 ILE 33 OK 88 98 95 95 3.6-5.5 4861=44, 4614/3.2=31...(18) QD1 ILE 40 + QD1 ILE 33 OK 48 68 100 71 3.5-4.6 4300/3.2=35...(11) Violated in 12 structures by 0.10 A. Peak 4222 from cnoeabs.peaks (1.69, 0.71, 10.77 ppm; 3.55 A): 2 out of 9 assignments used, quality = 0.96: HB3 LEU 64 + QD1 ILE 33 OK 87 96 95 96 4.2-5.2 3.1/6122=56, 5026=31...(19) HB3 GLN 61 + QD1 ILE 33 OK 66 68 100 97 2.0-4.7 3.0/4224=51, 1.8/4225=31...(20) HG LEU 29 - QD1 ILE 33 far 0 97 0 - 5.9-7.9 HD3 LYS 13 - QD1 ILE 33 far 0 83 0 - 6.7-22.4 HG3 ARG 66 - QD1 ILE 33 far 0 97 0 - 6.7-8.9 HD2 LYS 13 - QD1 ILE 33 far 0 83 0 - 7.9-21.4 HB3 LYS 13 - QD1 ILE 33 far 0 100 0 - 8.1-22.2 HG2 ARG 23 - QD1 ILE 33 far 0 92 0 - 9.2-14.3 HG2 ARG 70 - QD1 ILE 33 far 0 76 0 - 9.5-12.7 Violated in 3 structures by 0.05 A. Peak 4223 from cnoeabs.peaks (1.95, 0.71, 10.77 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.99: HB2 MET 31 + QD1 ILE 33 OK 96 97 100 98 1.9-3.1 6121/6122=50...(18) HB2 LEU 64 + QD1 ILE 33 OK 66 68 100 97 2.9-4.6 3.1/6122=60, 1.8/4222=44...(21) HG13 ILE 68 - QD1 ILE 33 poor 11 78 35 39 4.4-7.6 ~5376=22, 6103/6122=7...(7) HG LEU 57 - QD1 ILE 33 far 10 98 10 - 5.0-7.4 HB3 ARG 66 - QD1 ILE 33 far 0 100 0 - 7.1-9.1 HB3 ARG 70 - QD1 ILE 33 far 0 98 0 - 9.6-13.2 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 = 0.88: HG3 GLN 61 + QD1 ILE 33 OK 88 90 100 97 2.1-4.9 3.5/4213=40, 1.8/5322=35...(19) HB ILE 40 - QD1 ILE 33 far 0 78 0 - 6.9-8.1 HB2 PRO 36 - QD1 ILE 33 far 0 81 0 - 8.2-8.8 Violated in 7 structures by 0.14 A. Peak 4225 from cnoeabs.peaks (2.54, 0.71, 10.77 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 61 + QD1 ILE 33 OK 95 96 100 99 2.3-5.4 3.0/4224=63, 4662=43...(22) HG3 MET 31 + QD1 ILE 33 OK 93 93 100 99 3.4-4.6 1.8/4847=49...(18) HB2 ASP 24 - QD1 ILE 33 far 0 90 0 - 7.1-9.8 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (3.55, 0.71, 10.77 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QD1 ILE 33 OK 100 100 100 100 2.7-4.8 1.8/4851=88...(20) HD3 PRO 36 - QD1 ILE 33 far 0 81 0 - 7.8-8.3 Violated in 1 structures by 0.00 A. Peak 4227 from cnoeabs.peaks (3.96, 0.71, 10.77 ppm; 3.45 A): 2 out of 9 assignments used, quality = 1.00: HA ALA 28 + QD1 ILE 33 OK 100 100 100 100 1.9-3.7 2.1/5196=60, 4174=42...(22) HA GLN 61 + QD1 ILE 33 OK 97 99 100 98 2.5-4.1 4503=38, 4.0/4224=36...(28) HA LYS 32 - QD1 ILE 33 poor 17 83 20 - 3.9-5.6 HA THR 37 - QD1 ILE 33 far 0 81 0 - 6.0-6.5 HA ARG 66 - QD1 ILE 33 far 0 83 0 - 7.0-8.2 HA2 GLY 72 - QD1 ILE 33 far 0 99 0 - 9.4-11.7 HA3 GLY 18 - QD1 ILE 33 far 0 63 0 - 9.6-19.1 HA3 GLY 21 - QD1 ILE 33 far 0 99 0 - 9.9-15.3 HA2 GLY 18 - QD1 ILE 33 far 0 60 0 - 10.0-19.7 Violated in 0 structures by 0.00 A. Peak 4228 from cnoeabs.peaks (3.94, 1.22, 27.27 ppm; 3.97 A): 2 out of 11 assignments used, quality = 0.96: HA ALA 28 + HG13 ILE 33 OK 95 96 100 100 2.0-4.1 4174/2.1=54, 4172=48...(20) HA GLN 61 + HG13 ILE 33 OK 23 85 30 89 4.6-7.2 4227/2.1=37, ~4663=18...(16) HA THR 37 - HG13 ILE 33 far 5 97 5 - 5.4-8.1 HA2 GLY 72 - HG2 ARG 69 far 0 50 0 - 5.5-8.6 HA THR 37 - HG2 ARG 69 far 0 58 0 - 6.6-9.6 HA LEU 62 - HG13 ILE 33 far 0 78 0 - 7.0-8.9 HA VAL 76 - HG2 ARG 69 far 0 42 0 - 8.0-14.4 HA3 GLY 18 - HG13 ILE 33 far 0 89 0 - 9.1-20.8 HA LEU 62 - HG2 ARG 69 far 0 42 0 - 9.2-12.4 HA2 GLY 18 - HG13 ILE 33 far 0 87 0 - 9.6-21.4 HA3 GLY 21 - HG13 ILE 33 far 0 100 0 - 9.9-16.2 Violated in 1 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (3.94, 1.77, 36.30 ppm; 4.47 A): 1 out of 6 assignments used, quality = 0.78: HA ALA 28 + HB ILE 33 OK 78 78 100 100 3.5-4.5 2.1/4219=87, 4836=62...(17) HA THR 37 - HB ILE 33 far 15 100 15 - 5.9-6.9 HA GLN 61 - HB ILE 33 far 0 60 0 - 6.8-8.5 HA3 GLY 18 - HB ILE 33 far 0 99 0 - 8.6-20.3 HA LEU 62 - HB ILE 33 far 0 96 0 - 8.7-10.4 HA2 GLY 18 - HB ILE 33 far 0 99 0 - 8.9-20.9 Violated in 1 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (3.95, 1.44, 27.27 ppm; 4.03 A): 3 out of 10 assignments used, quality = 0.99: HA ALA 28 + HG12 ILE 33 OK 99 99 100 100 2.0-4.6 4228/1.8=62, 4174/2.1=57...(23) HA GLN 61 + HG12 ILE 33 OK 34 92 40 92 4.6-6.9 4227/2.1=40, ~4663=18...(18) HA LYS 32 + HG12 ILE 33 OK 30 65 55 84 3.9-6.6 3.6/574=60, 3.0/5541=24...(11) HA THR 37 - HG12 ILE 33 far 0 93 0 - 5.6-8.1 HA LYS 32 - HG13 ILE 89 far 0 61 0 - 6.4-55.2 HA LEU 62 - HG12 ILE 33 far 0 68 0 - 6.6-9.7 HA ALA 28 - HG13 ILE 89 far 0 95 0 - 8.8-51.8 HA ARG 66 - HG12 ILE 33 far 0 65 0 - 9.0-11.6 HA3 GLY 18 - HG12 ILE 33 far 0 81 0 - 9.6-20.6 HA3 GLY 21 - HG12 ILE 33 far 0 100 0 - 9.7-16.0 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 2.4-4.4 4851=83, 1682/4215=64...(19) QD2 LEU 57 + HD2 PRO 34 OK 99 99 100 100 1.9-3.3 4603=92, 4605/1.8=65...(17) 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 1.8-3.6 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 2.7-4.8 4851/1.8=68...(20) QD2 LEU 57 + HD3 PRO 34 OK 93 93 100 100 2.0-3.1 4605=72, 4603/1.8=69...(18) QD2 LEU 57 - HD3 PRO 36 far 0 38 0 - 7.6-9.0 QD1 ILE 33 - HD3 PRO 36 far 0 42 0 - 7.8-8.3 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 2.3-4.0 4.1=100 QG2 ILE 33 + HD3 PRO 36 OK 28 39 100 73 5.0-5.5 4248/4.8=54...(6) 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 1.9-2.3 4216=100, 4217/1.8=81...(19) HD2 PRO 36 - HD2 PRO 34 far 0 90 0 - 7.4-8.9 HA LEU 51 - HD2 PRO 34 far 0 100 0 - 9.0-10.9 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 2.0-2.5 4217=67, 4216/1.8=51...(19) HD2 PRO 36 + HD3 PRO 36 OK 36 36 100 100 1.8-1.8 1.8=100 HD2 PRO 36 - HD3 PRO 34 far 0 90 0 - 7.8-9.1 HA ILE 33 - HD3 PRO 36 far 0 45 0 - 8.2-8.7 HA LEU 51 - HD3 PRO 36 far 0 44 0 - 8.6-11.3 HA LEU 51 - HD3 PRO 34 far 0 100 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (6.64, 1.76, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + HG2 PRO 34 OK 99 99 100 100 2.4-4.5 4243/1.8=85, 4649/2.3=80...(29) 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 1.8-3.7 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 3 assignments used, quality = 1.00: HZ PHE 35 + HG3 PRO 34 OK 94 95 100 99 3.5-4.8 3.8/4243=64, ~4687=52...(19) QE PHE 35 + HG3 PRO 34 OK 93 93 100 100 2.1-3.3 2.2/4243=84, 4687/2.3=72...(27) HZ PHE 48 - HG3 PRO 34 far 0 97 0 - 7.9-11.7 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 3 assignments used, quality = 1.00: QE PHE 35 + HG2 PRO 34 OK 100 100 100 100 2.7-3.8 2.2/4242=90, 4687/2.3=90...(37) HZ PHE 35 + HG2 PRO 34 OK 100 100 100 100 4.1-5.7 4534/4242=73, ~4687=64...(27) HZ PHE 48 - HG2 PRO 34 far 0 100 0 - 8.3-12.9 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 2.2-4.3 4666/2.3=77, 5565/1.8=73...(30) 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 2.0-3.5 4666/1.8=78, 4246/2.3=67...(30) QD TYR 55 + HB2 ARG 54 OK 50 50 100 100 2.2-4.4 4634/1.8=92, ~4644=62...(25) QD TYR 55 - HB2 LYS 32 far 0 63 0 - 8.2-10.5 QD TYR 55 - HB3 LYS 32 far 0 63 0 - 8.3-11.1 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 2.3-2.5 4264=89, 1.8/4252=74...(19) HD3 PRO 34 - HA PHE 35 far 0 90 0 - 6.1-6.9 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 2.3-2.5 4263=95, 1.8/4251=64...(18) HA ILE 33 - HA PHE 35 far 0 78 0 - 6.4-6.8 HA LEU 51 - HA PHE 35 far 0 68 0 - 8.6-10.5 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 2.7-4.1 4874/1.8=80, 1.8/5577=73...(24) HD3 PRO 34 - HB3 PHE 35 far 0 81 0 - 5.5-7.0 Violated in 4 structures by 0.04 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 2.8-4.1 5577=98, 4260/1.8=85...(24) HA LEU 51 - HB3 PHE 35 far 0 90 0 - 6.4-8.2 HA ILE 33 - HB3 PHE 35 far 0 96 0 - 6.5-7.7 Violated in 0 structures by 0.00 A. Peak 4259 from cnoeabs.peaks (1.04, 6.65, 132.92 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QD PHE 35 OK 98 98 100 100 2.0-3.9 4318=99, 2.1/4320=79...(30) HG3 PRO 34 + QD PHE 35 OK 97 97 100 100 1.8-3.7 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 2 assignments used, quality = 1.00: HB2 PHE 35 + HD2 PRO 36 OK 100 100 100 100 1.9-3.5 5569=76, 4874/1.8=71...(21) HB3 PHE 48 - HD2 PRO 36 far 0 73 0 - 9.5-13.7 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 6 assignments used, quality = 1.00: HG2 LYS 39 + HD2 PRO 36 OK 87 92 95 100 3.0-6.3 5208/1.8=61, 2.9/5104=54...(28) HD3 LYS 39 + HD2 PRO 36 OK 85 85 100 100 1.9-5.9 3.5/5104=50, ~5208=42...(27) HD2 LYS 39 + HD2 PRO 36 OK 74 83 90 100 2.3-6.7 3.5/5104=50, ~5208=42...(27) HB3 LEU 86 - HD2 PRO 36 far 0 100 0 - 6.2-42.7 HB3 LEU 29 - HD2 PRO 36 far 0 89 0 - 9.2-13.9 HB3 ARG 54 - HD2 PRO 36 far 0 92 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 4262 from cnoeabs.peaks (1.57, 3.57, 50.78 ppm; 4.47 A): 3 out of 15 assignments used, quality = 1.00: HD3 LYS 39 + HD3 PRO 36 OK 98 98 100 100 1.9-4.3 3.0/5208=51, 3.0/5207=36...(28) HD2 LYS 39 + HD3 PRO 36 OK 97 97 100 100 2.0-5.2 3.0/5208=51, 3.0/5207=36...(28) HG2 LYS 39 + HD3 PRO 36 OK 67 71 95 100 2.0-6.1 5208=45, 1.8/5207=39...(29) HG LEU 62 - HD3 PRO 34 far 0 43 0 - 7.6-9.4 HB3 LEU 86 - HD3 PRO 36 far 0 97 0 - 7.6-44.3 HB3 LEU 51 - HD3 PRO 36 far 0 68 0 - 7.8-10.5 HG LEU 86 - HD3 PRO 36 far 0 71 0 - 8.3-43.3 HB3 LEU 51 - HD3 PRO 34 far 0 25 0 - 8.6-10.8 HG2 LYS 39 - HD3 PRO 34 far 0 26 0 - 8.8-11.2 HD3 LYS 39 - HD3 PRO 34 far 0 42 0 - 8.9-10.8 HD2 LYS 39 - HD3 PRO 34 far 0 42 0 - 9.4-12.1 HB3 ARG 54 - HD3 PRO 34 far 0 26 0 - 9.5-11.9 HB3 ARG 54 - HD3 PRO 36 far 0 71 0 - 9.6-14.1 HB3 LEU 62 - HD3 PRO 34 far 0 37 0 - 9.8-11.3 HB3 LEU 29 - HD3 PRO 34 far 0 43 0 - 9.9-11.5 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 2.3-2.5 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 2.3-2.5 4251=96, 4252/1.8=75...(19) HA PHE 35 - HD3 PRO 34 far 0 43 0 - 6.1-6.9 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 3 assignments used, quality = 1.00: HA PHE 35 + HG3 PRO 36 OK 95 95 100 100 4.5-4.6 4264/2.3=82, 4252/2.3=81...(23) HA PHE 35 + HG2 PRO 36 OK 94 94 100 100 4.5-4.6 4264/2.3=82, 4252/2.3=81...(23) HA PHE 35 - HG3 PRO 56 far 0 65 0 - 9.3-12.7 Violated in 15 structures by 0.02 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 2.7-3.8 4308=100, 607/4313=59...(16) 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 3.9-4.7 4318/4313=68...(9) Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (6.93, 3.94, 64.91 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.93: QE PHE 35 + HA THR 37 OK 93 93 100 100 4.3-5.9 2.2/4267=85...(11) HZ PHE 35 - HA THR 37 far 5 92 5 - 6.7-8.4 HD22 ASN 42 - HA THR 37 far 0 99 0 - 7.0-8.7 HZ PHE 48 - HA THR 37 far 0 89 0 - 7.4-9.1 Violated in 5 structures by 0.06 A. Peak 4269 from cnoeabs.peaks (4.59, 1.17, 22.48 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.90: HA PRO 36 + QG2 THR 37 OK 90 90 100 100 3.5-4.7 3.6/586=94, 4290/4.1=76...(7) HA ASN 74 - QG2 THR 37 far 0 71 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 4270 from cnoeabs.peaks (6.65, 1.17, 22.48 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.85: QD PHE 35 + QG2 THR 37 OK 85 100 90 94 5.4-6.4 4267/3.2=61...(7) Violated in 20 structures by 1.22 A. Peak 4271 from cnoeabs.peaks (2.12, 3.94, 64.91 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: HB ILE 40 + HA THR 37 OK 99 99 100 100 2.3-4.0 4309=71, 3.2/4279=56...(25) HB2 PRO 36 + HA THR 37 OK 94 99 100 94 4.4-4.7 6126/3.6=34, ~112=30...(16) HG2 PRO 36 - HA THR 37 far 0 73 0 - 5.3-6.8 HG3 PRO 36 - HA THR 37 far 0 78 0 - 5.5-6.8 Violated in 1 structures by 0.01 A. Peak 4272 from cnoeabs.peaks (1.90, 3.94, 64.91 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 40 + HA THR 37 OK 100 100 100 100 2.0-3.4 2.1/4279=86, 4311=62...(28) HB ILE 68 + HA THR 37 OK 99 100 100 99 4.0-5.1 5246/4279=48, ~4754=36...(24) HG13 ILE 68 - HA THR 37 poor 19 76 25 - 4.5-7.0 HB VAL 41 - HA THR 37 far 0 60 0 - 5.8-7.1 HB2 GLU 19 - HA THR 37 far 0 98 0 - 8.4-20.4 HB3 PRO 34 - HA THR 37 far 0 65 0 - 9.8-11.5 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: HG12 ILE 40 + HB THR 37 OK 100 100 100 100 4.3-6.0 2.1/4282=86, 4311/3.0=68...(19) HB ILE 68 + HB THR 37 OK 99 99 100 100 4.2-6.0 2.1/4763=91, ~4754=67...(19) HG13 ILE 68 + HB THR 37 OK 74 83 90 100 3.6-7.1 3.2/4763=77, ~4754=52...(16) HB VAL 41 - HB THR 37 far 10 68 15 - 5.4-8.0 HB2 GLU 19 - HB THR 37 far 0 99 0 - 6.9-18.3 HB2 ARG 26 - HB THR 37 far 0 73 0 - 8.4-11.2 HB3 ARG 26 - HB THR 37 far 0 76 0 - 9.3-12.1 Violated in 1 structures by 0.01 A. Peak 4274 from cnoeabs.peaks (2.09, 1.17, 22.48 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.98: HG2 PRO 36 + QG2 THR 37 OK 87 100 100 87 5.0-5.6 3.8/4269=42, 115/586=33...(7) HG3 PRO 36 + QG2 THR 37 OK 87 100 100 87 5.0-6.0 3.8/4269=42, 115/586=33...(7) HB3 MET 31 - QG2 THR 37 far 0 81 0 - 8.2-10.9 Violated in 18 structures by 0.21 A. Peak 4275 from cnoeabs.peaks (2.28, 1.17, 22.48 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.96: HG2 GLU 25 + QG2 THR 37 OK 80 81 100 100 2.2-5.5 4164=80, 1.8/5513=76...(9) HG3 GLU 25 + QG2 THR 37 OK 78 78 100 100 2.0-5.1 1.8/4164=81, 4.1/4162=72...(10) HB2 PRO 14 - QG2 THR 37 far 0 100 0 - 7.4-20.2 Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (2.57, 1.17, 22.48 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.94: HB3 ASP 24 + QG2 THR 37 OK 77 93 100 82 3.8-6.2 4835=57, 4160/4754=33...(9) HB2 ASP 24 + QG2 THR 37 OK 74 85 100 88 2.8-5.2 1.8/4835=58...(9) Violated in 2 structures by 0.00 A. Peak 4277 from cnoeabs.peaks (1.90, 1.17, 22.48 ppm; 4.60 A): 4 out of 8 assignments used, quality = 1.00: HG12 ILE 40 + QG2 THR 37 OK 100 100 100 100 4.5-5.6 4311/3.2=59, ~4282=53...(22) HB ILE 68 + QG2 THR 37 OK 95 100 95 100 4.2-6.2 2.1/4754=90, ~4763=56...(18) HG13 ILE 68 + QG2 THR 37 OK 42 76 55 100 4.7-7.0 3.2/4754=76, 2.1/4757=51...(17) HB VAL 41 + QG2 THR 37 OK 26 60 75 59 3.5-6.9 2.1/4885=24, ~4336=18...(5) HB2 GLU 19 - QG2 THR 37 lone 0 98 25 1 4.0-14.2 HB2 ARG 26 - QG2 THR 37 far 0 81 0 - 7.0-9.4 HB3 ARG 26 - QG2 THR 37 far 0 83 0 - 7.7-9.6 HB3 PRO 14 - QG2 THR 37 far 0 93 0 - 8.7-21.7 Violated in 5 structures by 0.02 A. Peak 4278 from cnoeabs.peaks (1.76, 1.17, 22.48 ppm; 5.07 A): 1 out of 10 assignments used, quality = 0.75: HB ILE 33 + QG2 THR 37 OK 75 100 75 100 5.7-7.7 2.1/4285=94...(6) HB3 ARG 17 - QG2 THR 37 poor 16 78 20 - 5.5-16.5 HB3 LYS 39 - QG2 THR 37 poor 12 89 50 28 5.5-7.4 5112/4274=8, 5112/4274=7...(5) HB3 LYS 75 - QG2 THR 37 far 12 78 15 - 5.4-16.5 HG3 ARG 26 - QG2 THR 37 far 0 89 0 - 6.8-9.3 HG3 ARG 71 - QG2 THR 37 far 0 93 0 - 6.9-11.4 HB3 LYS 73 - QG2 THR 37 far 0 96 0 - 7.7-10.8 HG2 PRO 34 - QG2 THR 37 far 0 99 0 - 8.7-12.1 HB2 LYS 13 - QG2 THR 37 far 0 73 0 - 9.7-23.0 HB2 PRO 34 - QG2 THR 37 far 0 93 0 - 9.7-11.5 Violated in 20 structures by 1.25 A. Peak 4279 from cnoeabs.peaks (1.01, 3.94, 64.91 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.85: QD1 ILE 40 + HA THR 37 OK 85 85 100 100 1.9-2.4 4313=68, 3.0/4310=40...(27) QD1 LEU 57 - HA THR 37 far 0 90 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (0.93, 3.94, 64.91 ppm; 3.98 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 40 + HA THR 37 OK 100 100 100 100 3.7-5.0 4310=89, 3.0/4279=69...(24) QG2 VAL 41 + HA THR 37 OK 93 98 100 94 3.9-5.1 4330/4308=37...(13) HG12 ILE 68 + HA THR 37 OK 48 100 50 96 4.1-6.9 2.1/4281=32, 2.9/4272=29...(15) QD1 LEU 64 - HA THR 37 far 9 60 15 - 4.8-8.0 QG2 VAL 76 - HA THR 37 far 5 100 5 - 5.3-16.8 QG1 VAL 76 - HA THR 37 far 0 100 0 - 6.1-14.3 QD2 LEU 43 - HA THR 37 far 0 85 0 - 8.4-9.6 QD2 LEU 62 - HA THR 37 far 0 100 0 - 9.4-12.2 Violated in 1 structures by 0.00 A. Peak 4281 from cnoeabs.peaks (0.79, 3.94, 64.91 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 68 + HA THR 37 OK 97 97 100 100 2.5-5.6 5247/4313=64...(23) QG2 ILE 68 + HA THR 37 OK 87 87 100 100 2.1-4.1 4754/3.2=61...(24) QG1 VAL 41 - HA THR 37 far 0 100 0 - 6.4-7.6 QD1 ILE 89 - HA THR 37 far 0 83 0 - 8.0-38.9 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 3 assignments used, quality = 0.98: QD1 ILE 40 + HB THR 37 OK 98 98 100 100 2.7-4.2 4314=85, 4279/3.0=75...(22) QD1 LEU 57 - HB THR 37 far 0 68 0 - 8.5-11.1 HG3 PRO 34 - HB THR 37 far 0 78 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (0.80, 4.22, 68.34 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 68 + HB THR 37 OK 94 95 100 99 1.9-3.7 4763=70, 4754/2.1=63...(22) QD1 ILE 68 + HB THR 37 OK 90 92 100 98 2.3-4.3 2.9/4763=50, 4757/2.1=39...(20) QG1 VAL 41 - HB THR 37 far 0 100 0 - 5.6-8.2 QD1 ILE 89 - HB THR 37 far 0 92 0 - 7.6-40.4 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 4 assignments used, quality = 0.97: QG2 ILE 68 + QG2 THR 37 OK 84 87 100 97 2.3-3.7 4754=61, 4763/2.1=41...(23) QD1 ILE 68 + QG2 THR 37 OK 81 97 85 98 2.1-5.0 2.9/4754=46, 4757=44...(24) QG1 VAL 41 - QG2 THR 37 far 5 100 5 - 4.4-6.7 QD1 ILE 89 - QG2 THR 37 far 0 83 0 - 6.3-33.1 Violated in 6 structures by 0.01 A. Peak 4285 from cnoeabs.peaks (0.30, 1.17, 22.48 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.61: QG2 ILE 33 + QG2 THR 37 OK 61 97 70 90 4.7-6.4 5195/6128=51...(5) Violated in 20 structures by 1.36 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: HD22 ASN 42 - QG2 THR 37 far 10 100 10 - 4.4-8.3 QE PHE 35 - QG2 THR 37 far 5 100 5 - 6.0-7.6 HZ PHE 35 - QG2 THR 37 far 0 100 0 - 8.1-9.8 HZ PHE 48 - QG2 THR 37 far 0 99 0 - 8.7-10.1 Violated in 19 structures by 1.22 A. Peak 4287 from cnoeabs.peaks (7.62, 4.28, 56.69 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: HD21 ASN 42 + HA ASP 38 OK 99 100 100 99 2.4-4.2 4356=48, 1.7/4357=44...(15) H VAL 41 + HA ASP 38 OK 98 100 100 98 3.1-4.2 3.9/5355=52, 4.0/4890=46...(13) 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 3.5-6.1 4358=48, 4358/1.8=46...(11) HD21 ASN 42 + HB2 ASP 38 OK 99 100 100 99 3.2-6.1 4358=51, 4356/3.0=45...(11) H VAL 41 + HB2 ASP 38 OK 75 99 100 76 5.1-6.2 5632/4.7=45, 4287/3.0=38...(4) H VAL 41 + HB3 ASP 38 OK 60 99 80 75 4.9-6.4 5632/4.7=45, 4287/3.0=38...(4) Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (6.94, 2.62, 40.03 ppm; 5.20 A): 2 out of 4 assignments used, quality = 1.00: HD22 ASN 42 + HB2 ASP 38 OK 99 100 100 99 2.6-5.9 4887/3.0=57, 1.7/4358=50...(9) HD22 ASN 42 + HB3 ASP 38 OK 99 100 100 99 3.2-6.2 4887/3.0=57, 4359/1.8=48...(9) QE PHE 35 - HB3 ASP 38 far 0 100 0 - 7.7-10.7 QE PHE 35 - HB2 ASP 38 far 0 100 0 - 8.0-10.5 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: HG3 PRO 36 + HB2 ASP 38 OK 86 99 100 86 3.8-6.5 2.3/5936=31, 4879/4.0=28...(8) HG2 PRO 36 + HB3 ASP 38 OK 85 99 100 86 2.8-5.9 2.3/5936=30, 4879/4.0=28...(8) HG2 PRO 36 + HB2 ASP 38 OK 85 99 100 86 2.8-5.9 2.3/5936=31, 4879/4.0=28...(8) HG3 PRO 36 + HB3 ASP 38 OK 82 99 95 86 3.8-6.5 2.3/5936=30, 4879/4.0=28...(8) HB2 PRO 36 + HB3 ASP 38 OK 68 76 100 89 3.1-5.2 6126/4.0=46, 4867/4.7=38...(7) HB2 PRO 36 + HB2 ASP 38 OK 68 76 100 89 2.9-5.2 6126/4.0=46, 4867/4.7=38...(7) HB ILE 40 - HB2 ASP 38 far 12 78 15 - 6.3-7.4 HB ILE 40 - HB3 ASP 38 far 0 78 0 - 6.6-7.7 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 2.1-4.8 2.1/5125=64, 4703=50...(15) QG2 ILE 68 + HA ILE 40 OK 69 99 70 99 4.3-6.2 4753/3.0=62, 5249/4.1=57...(23) QG1 VAL 41 - HA ILE 40 far 0 83 0 - 6.0-6.1 QD2 LEU 64 - HA ILE 40 far 0 60 0 - 8.0-10.1 QD2 LEU 29 - HA ILE 40 far 0 60 0 - 10.0-15.2 Violated in 5 structures by 0.02 A. Peak 4297 from cnoeabs.peaks (0.80, 2.12, 38.15 ppm; 3.93 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HB ILE 40 OK 100 100 100 100 2.0-3.6 4753=72, 5249/3.2=63...(35) QG1 VAL 41 + HB ILE 40 OK 96 99 100 98 5.0-5.4 4.0/139=50, 2.1/1932=41...(16) QD1 ILE 68 + HB ILE 40 OK 64 76 85 99 3.8-5.7 2.9/4753=48, 5247/3.2=47...(27) QD1 LEU 43 - HB ILE 40 poor 17 68 25 - 4.7-7.0 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (0.80, 0.93, 18.83 ppm; 3.15 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 68 + QG2 ILE 40 OK 99 100 100 99 1.9-3.4 5249/1942=45...(42) QD1 ILE 68 + QG2 ILE 40 OK 64 73 90 97 3.0-4.9 5247/3.0=32, 2781=28...(31) QG1 VAL 41 + QG2 ILE 40 OK 59 98 65 93 4.3-5.0 3.2/5210=36, 4.0/3816=25...(25) QD1 LEU 43 - QG2 ILE 40 poor 18 71 30 83 3.7-5.9 4624/5128=20...(18) QD2 LEU 86 - QG2 ILE 40 far 0 63 0 - 9.7-26.4 Violated in 6 structures by 0.02 A. Peak 4299 from cnoeabs.peaks (0.80, 1.03, 14.28 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 68 + QD1 ILE 40 OK 99 99 100 100 1.9-3.6 5249=92, 2.9/5247=49...(38) QD1 ILE 68 + QD1 ILE 40 OK 80 81 100 99 1.8-3.8 5247=68, 2.9/5249=51...(28) QD1 LEU 43 - QD1 ILE 40 far 6 63 10 - 4.6-6.6 QG1 VAL 41 - QD1 ILE 40 far 0 99 0 - 6.0-6.3 QD1 ILE 89 - QD1 ILE 40 far 0 98 0 - 8.0-32.6 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 = 0.96: QG2 ILE 33 + QD1 ILE 40 OK 96 100 100 96 2.3-3.7 4220=40, 5376/5247=33...(15) Violated in 0 structures by 0.00 A. Peak 4301 from cnoeabs.peaks (0.17, 0.93, 18.83 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 51 + QG2 ILE 40 OK 82 83 100 99 3.2-4.8 5173/1942=53...(22) Violated in 9 structures by 0.08 A. Peak 4302 from cnoeabs.peaks (1.41, 0.93, 18.83 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.91: HB3 ARG 69 + QG2 ILE 40 OK 86 89 100 97 1.9-4.1 1.8/4303=56, 3.0/4769=27...(25) HG3 LYS 39 + QG2 ILE 40 OK 39 99 55 72 4.4-7.6 6077/1936=18...(18) HB3 LEU 43 - QG2 ILE 40 poor 17 68 25 - 4.8-6.8 HG3 LYS 73 - QG2 ILE 40 far 4 73 5 - 4.9-9.4 QB ALA 78 - QG2 ILE 40 far 0 73 0 - 7.7-15.7 HG2 LYS 75 - QG2 ILE 40 far 0 78 0 - 7.8-14.6 QB ALA 53 - QG2 ILE 40 far 0 85 0 - 8.2-9.8 HG3 LYS 75 - QG2 ILE 40 far 0 78 0 - 8.2-14.3 HG2 LYS 13 - QG2 ILE 40 far 0 96 0 - 10.0-28.3 Violated in 6 structures by 0.06 A. Peak 4303 from cnoeabs.peaks (1.81, 0.93, 18.83 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.98: HB2 ARG 69 + QG2 ILE 40 OK 98 99 100 99 1.9-3.6 1.8/4302=59, 4773=42...(25) HB2 LYS 73 - QG2 ILE 40 poor 12 95 30 41 4.6-9.9 787/5263=10, 5844/4796=7...(12) HB3 LYS 39 - QG2 ILE 40 far 7 65 10 - 5.4-6.9 HB3 LYS 75 - QG2 ILE 40 far 0 78 0 - 7.8-13.1 HB2 LYS 13 - QG2 ILE 40 far 0 83 0 - 9.5-25.9 Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (2.38, 1.03, 14.28 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.97: HB VAL 65 + QD1 ILE 40 OK 97 97 100 100 3.8-5.2 3.0/5033=93, 2.1/5035=58...(21) Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (2.86, 1.03, 14.28 ppm; 5.35 A): 3 out of 3 assignments used, quality = 1.00: HB2 PHE 35 + QD1 ILE 40 OK 99 99 100 100 3.9-5.8 2.6/4318=90, ~4322=57...(15) HB3 PHE 48 + QD1 ILE 40 OK 57 76 75 100 6.0-7.8 2.5/5619=78, 4.4/4611=64...(13) HB3 ASP 67 + QD1 ILE 40 OK 38 85 65 69 5.9-7.6 4.6/5622=49, 3.9/4901=15...(6) Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (1.79, 1.03, 14.28 ppm; 4.89 A): 3 out of 12 assignments used, quality = 1.00: HB2 ARG 69 + QD1 ILE 40 OK 98 99 100 99 4.1-5.6 4303/1942=60, ~4302=42...(21) HB3 LYS 39 + QD1 ILE 40 OK 77 96 85 95 4.6-6.8 130/607=65, 5205/5173=36...(16) HB ILE 33 + QD1 ILE 40 OK 67 68 100 98 4.2-6.1 2.1/4300=94, 3.0/4852=30...(11) HB3 LYS 73 - QD1 ILE 40 far 0 89 0 - 6.5-11.0 HB2 PRO 34 - QD1 ILE 40 far 0 92 0 - 6.6-8.7 HB2 LYS 73 - QD1 ILE 40 far 0 63 0 - 6.7-10.8 HB2 LEU 57 - QD1 ILE 40 far 0 63 0 - 7.6-8.9 HB3 LYS 75 - QD1 ILE 40 far 0 99 0 - 7.7-15.0 HB2 ARG 54 - QD1 ILE 40 far 0 60 0 - 8.9-11.9 HB2 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.0-10.5 HB3 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.1-11.2 HB2 LYS 13 - QD1 ILE 40 far 0 100 0 - 9.3-23.2 Violated in 0 structures by 0.00 A. Peak 4309 from cnoeabs.peaks (3.93, 2.12, 38.15 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + HB ILE 40 OK 100 100 100 100 2.3-4.0 4310/2.1=69, 4279/3.2=68...(26) HA ALA 28 - HB ILE 40 far 0 71 0 - 8.4-10.0 HA2 GLY 18 - HB ILE 40 far 0 100 0 - 8.8-23.8 HA LEU 62 - HB ILE 40 far 0 98 0 - 9.4-11.0 HA3 GLY 18 - HB ILE 40 far 0 100 0 - 9.5-23.7 Violated in 0 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 3.7-5.0 4309/2.1=73, 4279/3.0=73...(24) HA LEU 62 - QG2 ILE 40 far 0 100 0 - 6.4-7.7 HA ALA 28 - QG2 ILE 40 far 0 60 0 - 7.2-9.2 HA2 GLY 18 - QG2 ILE 40 far 0 100 0 - 9.4-21.1 HA3 GLY 18 - QG2 ILE 40 far 0 100 0 - 9.8-21.1 Violated in 9 structures by 0.12 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 2.0-3.4 4279/2.1=98, 4309/2.9=79...(28) HA2 GLY 72 - HG12 ILE 40 far 0 71 0 - 7.3-10.5 HA ALA 28 - HG12 ILE 40 far 0 83 0 - 7.7-9.5 HA LEU 62 - HG12 ILE 40 far 0 93 0 - 8.3-10.7 HA2 GLY 18 - HG12 ILE 40 far 0 97 0 - 8.8-24.5 HA3 GLY 18 - HG12 ILE 40 far 0 98 0 - 9.5-24.3 HA GLN 61 - HG12 ILE 40 far 0 65 0 - 9.8-11.8 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 9 assignments used, quality = 0.98: HA THR 37 + QD1 ILE 40 OK 98 98 100 100 1.9-2.4 4279=83, 3.0/4282=42...(27) HA ALA 28 - QD1 ILE 40 far 5 95 5 - 4.9-6.3 HA2 GLY 72 - QD1 ILE 40 far 0 87 0 - 5.8-7.5 HA LEU 62 - QD1 ILE 40 far 0 81 0 - 6.0-7.5 HA GLN 61 - QD1 ILE 40 far 0 83 0 - 6.7-8.0 HA2 GLY 18 - QD1 ILE 40 far 0 89 0 - 7.2-19.3 HA3 GLY 18 - QD1 ILE 40 far 0 90 0 - 7.5-19.1 HA VAL 76 - QD1 ILE 40 far 0 76 0 - 9.4-15.8 HA3 GLY 21 - QD1 ILE 40 far 0 99 0 - 9.5-14.4 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 2.7-4.2 4282=98, 3.0/4313=81...(22) HA LYS 39 - QD1 ILE 40 far 7 65 10 - 6.1-6.5 HA THR 15 - QD1 ILE 40 far 0 76 0 - 8.3-20.2 Violated in 0 structures by 0.00 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 3.8-5.7 3.0/4309=90, 4282/3.2=83...(21) HA LYS 39 + HB ILE 40 OK 69 71 100 97 5.7-6.0 3.6/1929=87, 5212/2.1=30...(11) HA THR 15 - HB ILE 40 far 0 81 0 - 9.4-26.1 Violated in 0 structures by 0.00 A. Peak 4316 from cnoeabs.peaks (7.15, 1.03, 14.28 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + QD1 ILE 40 OK 100 100 100 100 3.0-4.1 4611=100, 4323/1942=73...(28) Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (6.95, 1.03, 14.28 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 ILE 40 OK 100 100 100 100 1.9-3.1 2.2/4318=56, 4577=45...(39) HZ PHE 35 + QD1 ILE 40 OK 99 100 100 99 3.7-5.1 4534/4318=42...(28) HZ PHE 48 + QD1 ILE 40 OK 94 100 95 99 3.8-5.5 2.2/4611=50...(23) HD22 ASN 42 - QD1 ILE 40 far 0 97 0 - 7.2-8.9 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 2.0-3.9 4320/2.1=56, 4322/2.1=55...(28) Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (6.95, 1.23, 28.19 ppm; 4.38 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG13 ILE 40 OK 100 100 100 100 2.0-3.2 2.2/4320=59, ~4318=49...(30) HZ PHE 35 + HG13 ILE 40 OK 99 100 100 99 3.9-5.0 4588/1.8=54...(21) HZ PHE 48 + HG13 ILE 40 OK 95 100 95 100 3.7-6.8 2.2/5620=55, ~4611=45...(16) HD22 ASN 42 - HG13 ILE 40 far 0 98 0 - 8.2-10.3 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 2.3-4.0 4318/2.1=89, 4657/606=67...(22) 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 2.3-3.9 2.2/4322=66, 2.2/4588=54...(30) HZ PHE 35 + HG12 ILE 40 OK 95 100 95 100 4.7-6.2 4588=73, 4534/4322=51...(20) HZ PHE 48 - HG12 ILE 40 far 15 100 15 - 5.4-7.8 HD22 ASN 42 - HG12 ILE 40 far 0 97 0 - 7.2-9.1 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 2.2-3.8 4318/2.1=81, 4657/605=70...(22) Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (7.14, 0.93, 18.83 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 48 + QG2 ILE 40 OK 96 96 100 100 1.9-3.1 2.2/5128=50, 4612=49...(36) Violated in 0 structures by 0.00 A. Peak 4324 from cnoeabs.peaks (6.96, 0.93, 18.83 ppm; 3.88 A): 3 out of 4 assignments used, quality = 1.00: HZ PHE 48 + QG2 ILE 40 OK 95 96 100 100 2.3-3.7 2.2/4323=70, 4617=47...(30) QE PHE 35 + QG2 ILE 40 OK 92 92 100 100 3.0-4.6 4578=43, 4584/4301=36...(37) HZ PHE 35 + QG2 ILE 40 OK 77 93 85 97 4.4-6.0 2.2/4578=33, 4588/3.2=31...(23) HD22 ASN 42 - QG2 ILE 40 far 0 78 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (7.07, 3.63, 64.52 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 48 + HA ILE 40 OK 99 99 100 100 2.0-3.6 2.2/5120=73, 4621=53...(23) QD TYR 81 - HA ILE 40 far 0 100 0 - 9.1-21.7 Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (7.98, 0.93, 18.83 ppm; 3.93 A): 3 out of 7 assignments used, quality = 1.00: H ARG 69 + QG2 ILE 40 OK 99 99 100 99 2.5-4.0 292=47, 760/4303=46...(25) H ARG 70 + QG2 ILE 40 OK 68 73 100 92 4.4-5.4 4.3/4303=37, 4.3/4302=32...(18) H GLY 72 + QG2 ILE 40 OK 26 93 35 79 5.0-6.4 15492/4769=20, 5055=19...(16) H LYS 73 - QG2 ILE 40 poor 12 83 25 59 5.0-7.4 5263=12, 3.6/4796=11...(13) H VAL 76 - QG2 ILE 40 far 0 89 0 - 7.6-13.4 H ALA 63 - QG2 ILE 40 far 0 100 0 - 8.2-9.9 H LEU 29 - QG2 ILE 40 far 0 71 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (7.99, 0.80, 21.38 ppm; 4.26 A): 3 out of 4 assignments used, quality = 1.00: H LYS 73 + QG1 VAL 41 OK 97 97 100 100 2.4-4.8 3.6/4338=60, 3.0/5403=59...(23) H GLY 72 + QG1 VAL 41 OK 80 100 80 100 3.5-6.9 3.0/4338=68, 3.0/4339=65...(22) H ARG 69 + QG1 VAL 41 OK 33 100 35 96 4.9-6.7 4.7/4903=41, 292/2.1=35...(14) H VAL 76 - QG1 VAL 41 poor 11 68 40 40 3.8-11.1 5431/5626=27, 4.6/4346=8...(6) Violated in 2 structures by 0.02 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 GLY 72 + QG2 VAL 41 OK 98 98 100 100 2.8-5.7 3.0/4335=66, 5055=61...(25) H ARG 69 + QG2 VAL 41 OK 98 100 100 98 3.5-5.0 292=37, 2.9/5130=35...(19) H LYS 73 + QG2 VAL 41 OK 91 92 100 99 2.5-4.1 3.6/4335=58, 3.0/5625=46...(23) H ARG 70 + QG2 VAL 41 OK 42 60 80 87 4.7-6.0 3.6/5130=31, 4.3/4774=21...(16) H VAL 76 - QG2 VAL 41 poor 16 78 20 - 4.4-11.0 Violated in 0 structures by 0.00 A. Peak 4329 from cnoeabs.peaks (6.95, 0.94, 22.13 ppm; 5.09 A): 2 out of 4 assignments used, quality = 0.99: HD22 ASN 42 + QG2 VAL 41 OK 98 98 100 100 3.8-4.9 4367/2.1=90, 1.7/4363=88...(13) HZ PHE 48 + QG2 VAL 41 OK 23 100 30 76 6.5-8.3 4652/4778=16...(13) QE PHE 35 - QG2 VAL 41 far 5 100 5 - 6.6-7.7 HZ PHE 35 - QG2 VAL 41 far 0 100 0 - 8.5-9.6 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 2 assignments used, quality = 0.98: H ILE 40 + QG2 VAL 41 OK 98 98 100 100 3.7-4.6 915/4.0=70, 3.9/4349=53...(17) H ASP 47 - QG2 VAL 41 far 0 90 0 - 9.9-11.3 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 3.3-4.5 4367=85, 1.7/4364=84...(14) HD22 ASN 74 - QG1 VAL 41 far 4 76 5 - 6.1-9.7 HZ PHE 48 - QG1 VAL 41 far 0 78 0 - 7.6-9.6 QE PHE 35 - QG1 VAL 41 far 0 85 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (4.27, 1.93, 32.20 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.97: HA ASP 38 + HB VAL 41 OK 97 97 100 100 3.0-4.3 5355=97, 4337/2.1=79...(12) HA LYS 39 + HB VAL 41 OK 25 87 35 83 5.4-6.7 3.6/5627=41, 5790/146=41...(7) HA ALA 20 - HB VAL 41 far 0 99 0 - 7.1-19.2 HA LYS 75 - HB VAL 41 far 0 73 0 - 8.1-13.2 HA GLU 19 - HB VAL 41 far 0 97 0 - 9.5-22.7 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 8 assignments used, quality = 0.88: HA ASP 38 + QG1 VAL 41 OK 88 89 100 100 4.5-5.6 4337/2.1=89, 5355/2.1=81...(11) HA LYS 75 - QG1 VAL 41 far 9 87 10 - 6.0-9.1 HA ALA 77 - QG1 VAL 41 far 6 60 10 - 4.5-15.0 HA LYS 39 - QG1 VAL 41 far 0 96 0 - 6.3-7.2 HA ALA 20 - QG1 VAL 41 far 0 100 0 - 6.5-17.3 HA GLU 19 - QG1 VAL 41 far 0 100 0 - 9.1-20.3 HA LEU 64 - QG1 VAL 41 far 0 100 0 - 9.8-12.0 HA LYS 83 - QG1 VAL 41 far 0 85 0 - 10.0-21.9 Violated in 15 structures by 0.35 A. Peak 4335 from cnoeabs.peaks (3.75, 0.94, 22.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.94: HA3 GLY 72 + QG2 VAL 41 OK 94 99 95 99 2.0-6.1 4794=70, 4338/2.1=56...(17) Violated in 4 structures by 0.28 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 1.8-4.8 1.8/4335=75, 4339/2.1=67...(23) HA THR 37 + QG2 VAL 41 OK 67 76 100 89 3.9-5.1 4308/4330=30, 4280=28...(13) HA VAL 76 - QG2 VAL 41 far 5 98 5 - 5.2-12.6 HA ARG 66 - QG2 VAL 41 far 0 87 0 - 5.8-7.4 HA3 GLY 21 - QG2 VAL 41 far 0 99 0 - 7.8-14.1 HA2 GLY 21 - QG2 VAL 41 far 0 99 0 - 8.3-14.1 HA ALA 28 - QG2 VAL 41 far 0 100 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (4.26, 0.94, 22.13 ppm; 3.95 A): 1 out of 7 assignments used, quality = 0.90: HA ASP 38 + QG2 VAL 41 OK 90 90 100 99 2.8-4.0 4890=80, 5355/2.1=67...(11) HA ALA 20 - QG2 VAL 41 far 5 100 5 - 5.1-15.9 HA LYS 39 - QG2 VAL 41 far 5 95 5 - 5.4-6.4 HA LYS 75 - QG2 VAL 41 far 0 85 0 - 6.6-10.8 HA LEU 64 - QG2 VAL 41 far 0 100 0 - 7.8-9.9 HA GLU 19 - QG2 VAL 41 far 0 99 0 - 8.0-18.5 HA THR 15 - QG2 VAL 41 far 0 89 0 - 9.5-23.3 Violated in 1 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (3.73, 0.80, 21.38 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.78: HA3 GLY 72 + QG1 VAL 41 OK 78 98 80 99 3.4-6.9 1.8/4339=72, 4335/2.1=57...(14) Violated in 12 structures by 0.61 A. Peak 4339 from cnoeabs.peaks (3.95, 0.80, 21.38 ppm; 4.07 A): 1 out of 8 assignments used, quality = 0.83: HA2 GLY 72 + QG1 VAL 41 OK 83 98 85 100 2.6-5.9 1.8/4338=79, ~4335=51...(20) HA VAL 76 - QG1 VAL 41 far 9 93 10 - 4.6-12.4 HA THR 37 - QG1 VAL 41 far 0 87 0 - 6.4-7.6 HA ARG 66 - QG1 VAL 41 far 0 76 0 - 7.0-8.7 HA3 GLY 21 - QG1 VAL 41 far 0 100 0 - 9.0-16.2 HA2 GLY 18 - QG1 VAL 41 far 0 68 0 - 9.0-20.7 HA2 GLY 21 - QG1 VAL 41 far 0 100 0 - 9.7-15.9 HA3 GLY 18 - QG1 VAL 41 far 0 71 0 - 9.8-20.9 Violated in 7 structures by 0.44 A. Peak 4340 from cnoeabs.peaks (4.68, 0.80, 21.38 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 42 + QG1 VAL 41 OK 99 100 100 100 3.7-4.0 3.0/147=75, ~146=49...(11) Violated in 0 structures by 0.00 A. Peak 4341 from cnoeabs.peaks (1.38, 3.58, 65.23 ppm; 3.93 A): 3 out of 10 assignments used, quality = 0.97: HG3 ARG 69 + HA VAL 41 OK 79 100 80 99 2.2-5.8 5253=66, 1.8/4342=55...(24) HB3 ARG 69 + HA VAL 41 OK 74 93 80 99 2.0-6.3 3.0/5253=49, 3.0/4342=46...(27) HG3 LYS 73 + HA VAL 41 OK 50 99 55 91 3.1-7.3 5258/3.2=41, ~4904=33...(18) QB ALA 78 - HA VAL 41 far 0 99 0 - 6.3-17.8 HG2 LYS 75 - HA VAL 41 far 0 98 0 - 6.7-15.4 HG3 LYS 39 - HA VAL 41 far 0 73 0 - 6.9-9.5 QB ALA 20 - HA VAL 41 far 0 100 0 - 7.1-18.1 HG3 LYS 75 - HA VAL 41 far 0 98 0 - 7.4-13.7 QB ALA 77 - HA VAL 41 far 0 100 0 - 8.4-17.1 QB ALA 16 - HA VAL 41 far 0 81 0 - 9.5-22.7 Violated in 3 structures by 0.07 A. Peak 4342 from cnoeabs.peaks (1.22, 3.58, 65.23 ppm; 4.69 A): 1 out of 5 assignments used, quality = 0.76: HG2 ARG 69 + HA VAL 41 OK 76 76 100 100 2.5-4.7 1.8/5253=83, 5254=72...(22) QG1 VAL 65 - HA VAL 41 far 0 92 0 - 6.3-8.3 HG13 ILE 40 - HA VAL 41 far 0 93 0 - 6.3-6.6 QG2 VAL 65 - HA VAL 41 far 0 100 0 - 7.4-9.6 HG LEU 52 - HA VAL 41 far 0 78 0 - 9.2-11.4 Violated in 1 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (2.03, 3.58, 65.23 ppm; 4.88 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 69 + HA VAL 41 OK 100 100 100 100 2.1-5.8 3.0/5253=72, 3.0/4342=69...(17) HD2 ARG 69 + HA VAL 41 OK 100 100 100 100 2.6-5.6 3.0/5253=72, 3.0/4342=69...(17) HB VAL 76 - HA VAL 41 far 5 93 5 - 5.4-14.4 HG2 ARG 66 - HA VAL 41 far 0 83 0 - 8.6-12.1 HG2 PRO 44 - HA VAL 41 far 0 89 0 - 8.9-9.7 HB3 GLU 19 - HA VAL 41 far 0 99 0 - 9.5-25.9 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (1.39, 0.80, 21.38 ppm; 3.94 A): 3 out of 10 assignments used, quality = 1.00: HG3 LYS 73 + QG1 VAL 41 OK 99 100 100 99 1.9-4.1 1.8/4904=67, 5258=53...(20) HG3 ARG 69 + QG1 VAL 41 OK 64 92 70 99 3.1-6.0 1.8/4903=63, 5253/3.2=44...(25) HB3 ARG 69 + QG1 VAL 41 OK 49 100 50 99 2.3-6.5 3.0/4903=51, 4774/2.1=30...(23) QB ALA 78 - QG1 VAL 41 far 10 100 10 - 3.7-14.5 HG3 LYS 75 - QG1 VAL 41 far 5 100 5 - 4.8-9.5 HG2 LYS 75 - QG1 VAL 41 far 5 100 5 - 5.4-10.9 QB ALA 77 - QG1 VAL 41 far 5 90 5 - 5.2-13.6 QB ALA 20 - QG1 VAL 41 far 0 93 0 - 5.5-14.5 HG3 LYS 39 - QG1 VAL 41 far 0 95 0 - 7.6-9.0 HG2 LYS 83 - QG1 VAL 41 far 0 76 0 - 7.9-24.1 Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (1.63, 0.80, 21.38 ppm; 4.38 A): 2 out of 5 assignments used, quality = 0.98: HD2 LYS 73 + QG1 VAL 41 OK 86 87 100 99 1.9-5.3 2.9/4904=66, 2.9/5258=55...(18) HD3 LYS 73 + QG1 VAL 41 OK 86 87 100 99 1.9-5.6 2.9/4904=66, 2.9/5258=55...(18) HG2 ARG 71 - QG1 VAL 41 far 0 98 0 - 6.1-10.0 HG3 ARG 70 - QG1 VAL 41 far 0 90 0 - 6.1-9.0 HB3 LEU 51 - QG1 VAL 41 far 0 60 0 - 9.7-10.8 Violated in 2 structures by 0.03 A. Peak 4346 from cnoeabs.peaks (1.78, 0.80, 21.38 ppm; 4.37 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 73 + QG1 VAL 41 OK 99 99 100 100 2.8-4.4 2.9/4904=66, 3.0/5626=61...(23) HB2 ARG 69 + QG1 VAL 41 OK 53 89 60 100 3.4-6.4 3.0/4903=62, 3.0/4767=35...(19) HB3 LYS 75 + QG1 VAL 41 OK 33 100 55 60 4.1-10.2 16032/4339=39, 5260=9...(12) HB3 LYS 39 - QG1 VAL 41 far 0 100 0 - 8.0-8.4 HB3 ARG 82 - QG1 VAL 41 far 0 83 0 - 8.4-19.5 HB2 LYS 83 - QG1 VAL 41 far 0 100 0 - 8.5-22.6 Violated in 0 structures by 0.00 A. Peak 4347 from cnoeabs.peaks (1.38, 0.94, 22.13 ppm; 4.26 A): 3 out of 10 assignments used, quality = 1.00: HG3 ARG 69 + QG2 VAL 41 OK 90 100 90 100 3.4-5.9 5253/3.2=56, ~4903=49...(28) HB3 ARG 69 + QG2 VAL 41 OK 88 89 100 100 2.7-5.5 4774=41, ~4903=37...(29) HG3 LYS 73 + QG2 VAL 41 OK 77 97 80 99 2.3-6.2 5258/2.1=58, ~4904=52...(20) HG3 LYS 39 - QG2 VAL 41 far 7 65 10 - 5.6-8.1 QB ALA 20 - QG2 VAL 41 far 5 100 5 - 3.7-13.3 QB ALA 78 - QG2 VAL 41 far 0 97 0 - 5.8-13.8 HG3 LYS 75 - QG2 VAL 41 far 0 96 0 - 6.0-11.1 HG2 LYS 75 - QG2 VAL 41 far 0 96 0 - 6.7-11.8 QB ALA 77 - QG2 VAL 41 far 0 100 0 - 6.8-13.5 QB ALA 16 - QG2 VAL 41 far 0 87 0 - 6.8-17.7 Violated in 3 structures by 0.01 A. Peak 4348 from cnoeabs.peaks (1.79, 0.94, 22.13 ppm; 5.15 A): 4 out of 6 assignments used, quality = 1.00: HB2 ARG 69 + QG2 VAL 41 OK 99 99 100 100 2.5-5.5 ~4903=55, 4773=46...(24) HB3 LYS 73 + QG2 VAL 41 OK 87 87 100 100 2.8-6.3 3.0/5625=69, ~4904=57...(28) HB2 LYS 73 + QG2 VAL 41 OK 65 65 100 100 2.0-6.0 3.0/5625=69, ~4904=57...(29) HB3 LYS 75 + QG2 VAL 41 OK 27 99 45 61 4.5-11.2 16032/4336=34...(8) HB3 LYS 39 - QG2 VAL 41 poor 19 95 20 - 6.4-7.4 HB ILE 33 - QG2 VAL 41 far 0 65 0 - 9.0-10.2 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 2.7-3.0 4350/2.1=75, 3.9/4330=59...(21) HB2 PRO 36 - QG2 VAL 41 far 0 60 0 - 6.5-7.3 HG2 PRO 36 - QG2 VAL 41 far 0 100 0 - 6.8-8.5 HG3 PRO 36 - QG2 VAL 41 far 0 100 0 - 7.2-9.0 HB3 PRO 44 - QG2 VAL 41 far 0 100 0 - 9.6-10.6 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 = 0.63: HB ILE 40 + QG1 VAL 41 OK 63 63 100 100 5.0-5.4 4349/2.1=78, ~5210=53...(16) HB2 PRO 36 - QG1 VAL 41 far 0 60 0 - 8.4-9.2 HB3 PRO 44 - QG1 VAL 41 far 0 100 0 - 8.5-9.6 HG2 PRO 36 - QG1 VAL 41 far 0 100 0 - 8.7-10.1 HG3 PRO 36 - QG1 VAL 41 far 0 100 0 - 8.9-10.9 Violated in 20 structures by 0.23 A. Peak 4351 from cnoeabs.peaks (2.77, 0.80, 21.38 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 42 + QG1 VAL 41 OK 96 96 100 100 5.2-5.6 3.0/4340=75, 4.1/147=70...(12) HB2 ASN 42 + QG1 VAL 41 OK 93 93 100 100 5.6-6.0 3.0/4340=75, 4.1/147=70...(11) HB3 ASN 80 - QG1 VAL 41 far 5 92 5 - 6.3-17.6 HB3 ASN 74 - QG1 VAL 41 lone 3 97 40 9 5.5-8.2 5990/2.1=3, 3974/5835=3 Violated in 13 structures by 0.04 A. Peak 4355 from cnoeabs.peaks (4.26, 2.76, 39.67 ppm; 4.52 A): 4 out of 8 assignments used, quality = 1.00: HA LYS 39 + HB3 ASN 42 OK 95 99 100 95 2.0-3.8 5790/4.1=50, 4371/4.4=48...(9) HA LYS 39 + HB2 ASN 42 OK 94 99 100 95 3.5-4.9 5790/4.1=50, 4371/4.4=48...(8) HA ASP 38 + HB3 ASN 42 OK 62 76 100 82 2.6-5.3 4357/3.5=36, 4356/3.5=32...(7) HA ASP 38 + HB2 ASN 42 OK 27 76 45 78 4.2-6.8 4357/3.5=36, 4356/3.5=32...(6) HA THR 15 - HB3 ASN 42 far 0 97 0 - 7.2-30.3 HA THR 15 - HB2 ASN 42 far 0 97 0 - 8.1-32.0 HA ALA 77 - HB2 ASN 42 far 0 76 0 - 9.7-25.1 HA ALA 77 - HB3 ASN 42 far 0 76 0 - 9.7-24.2 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 4.4-4.8 4906/3.5=69, 146/4.1=63...(11) HB VAL 41 + HB2 ASN 42 OK 73 73 100 100 5.5-5.8 4906/3.5=69, 146/4.1=63...(11) HB2 GLN 79 - HB2 ASN 42 far 5 94 5 - 6.6-30.3 HB2 GLN 79 - HB3 ASN 42 far 0 95 0 - 7.1-29.3 Violated in 0 structures by 0.00 A. Peak 4361 from cnoeabs.peaks (0.93, 2.76, 39.67 ppm; 4.98 A): 4 out of 10 assignments used, quality = 1.00: QG2 VAL 41 + HB3 ASN 42 OK 99 99 100 100 5.3-5.7 4366/3.5=62, 4363/3.5=60...(12) QD2 LEU 43 + HB3 ASN 42 OK 50 89 100 56 3.6-5.7 2037/4.4=56 QD2 LEU 43 + HB2 ASN 42 OK 50 88 100 56 3.1-5.7 2037/4.4=56 QG2 ILE 40 + HB3 ASN 42 OK 37 100 60 62 6.2-7.0 148/4.1=29, 3816/5623=25...(5) QG2 VAL 41 - HB2 ASN 42 poor 20 99 20 - 6.4-6.7 QG2 VAL 76 - HB3 ASN 42 far 10 99 10 - 6.0-18.6 QG1 VAL 76 - HB3 ASN 42 far 5 99 5 - 5.4-16.4 QG1 VAL 76 - HB2 ASN 42 far 5 99 5 - 6.1-17.2 QG2 VAL 76 - HB2 ASN 42 far 5 99 5 - 6.2-19.3 QG2 ILE 40 - HB2 ASN 42 far 0 100 0 - 7.3-8.2 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 5.2-5.6 4340/3.0=77, 147/4.1=72...(12) QG1 VAL 41 + HB2 ASN 42 OK 100 100 100 100 5.6-6.0 4340/3.0=77, 147/4.1=72...(11) QG2 ILE 68 - HB3 ASN 42 far 0 89 0 - 7.0-8.5 QG2 ILE 68 - HB2 ASN 42 far 0 88 0 - 8.2-9.9 QD1 ILE 68 - HB3 ASN 42 far 0 97 0 - 9.0-10.8 Violated in 2 structures by 0.01 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 3.3-5.2 4458=100, 4459/1.8=90...(19) H ASP 46 - HB2 LEU 43 far 0 99 0 - 6.9-7.8 Violated in 2 structures by 0.03 A. Peak 4369 from cnoeabs.peaks (8.77, 1.44, 42.41 ppm; 4.92 A): 2 out of 2 assignments used, quality = 1.00: H PHE 48 + HB3 LEU 43 OK 100 100 100 100 2.4-3.7 4459=99, 4458/1.8=86...(21) H ASP 46 + HB3 LEU 43 OK 93 100 100 93 5.9-6.3 919/4456=66...(8) 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 2.7-4.5 4624=92, 3.7/4468=58...(20) QD TYR 81 - QD1 LEU 43 far 0 97 0 - 6.4-21.2 Violated in 7 structures by 0.06 A. Peak 4373 from cnoeabs.peaks (4.04, 4.53, 53.96 ppm; 3.28 A): 1 out of 4 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 - 5.3-6.7 HA ARG 26 - HA LYS 13 far 0 58 0 - 8.0-27.3 HD2 PRO 44 - HA LYS 13 far 0 91 0 - 9.0-38.6 Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (3.65, 4.53, 53.96 ppm; 3.12 A): 1 out of 4 assignments used, quality = 0.87: HD3 PRO 44 + HA LEU 43 OK 87 89 100 98 2.0-2.3 1.8/4373=64, 3.8=57...(12) HA ILE 40 - HA LEU 43 far 0 85 0 - 5.3-7.0 HD3 PRO 44 - HA LYS 13 far 0 77 0 - 8.4-37.9 HA ARG 69 - HA LEU 43 far 0 76 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (3.66, 1.72, 42.41 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.99: HD3 PRO 44 + HB2 LEU 43 OK 96 96 100 100 3.9-4.9 4.8=100 HA ILE 40 + HB2 LEU 43 OK 73 73 100 99 2.5-4.1 4372/621=60, 5123=60...(12) HA ARG 69 - HB2 LEU 43 far 0 63 0 - 6.8-9.3 HA VAL 65 - HB2 LEU 43 far 0 68 0 - 9.2-10.7 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 3.8-5.1 4.8=85, 4373/3.0=83...(24) HA PHE 48 + HB2 LEU 43 OK 78 78 100 100 2.9-4.5 3.0/4458=63, 3.0/4475=62...(25) 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 2.3-4.3 4.8=86, 4373/3.0=86...(24) HA PHE 48 + HB3 LEU 43 OK 97 97 100 100 2.8-4.1 4468/3.1=75, 3.0/4459=69...(27) Violated in 0 structures by 0.00 A. Peak 4378 from cnoeabs.peaks (3.67, 1.44, 42.41 ppm; 4.60 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HB3 LEU 43 OK 99 99 100 100 2.4-3.9 4403=93, 4374/3.0=82...(28) HA VAL 45 + HB3 LEU 43 OK 35 60 70 82 5.7-6.3 3.5/4369=26...(9) 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 2.0-4.7 4382/1.8=88, 1.8/4472=83...(26) HB2 ASN 49 - HB3 LEU 43 far 0 60 0 - 6.9-8.2 HB2 PHE 35 - HB3 LEU 43 far 0 90 0 - 8.1-9.1 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 2.0-4.0 4389/3.1=79, 1.8/4442=78...(20) HB3 ASP 38 - HB3 LEU 43 far 0 73 0 - 7.3-11.6 HB2 ASP 38 - HB3 LEU 43 far 0 76 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 4381 from cnoeabs.peaks (2.59, 1.72, 42.41 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 47 + HB2 LEU 43 OK 100 100 100 100 3.6-5.7 4380/1.8=85, 4389/3.1=81...(17) HB2 ASP 38 - HB2 LEU 43 far 3 57 5 - 6.4-9.4 Violated in 3 structures by 0.06 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 2.2-4.8 4475=85, 1.8/4471=72...(23) HB2 PHE 35 - HB2 LEU 43 far 0 97 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (3.96, 0.84, 25.67 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 28 + QD2 LEU 64 OK 100 100 100 100 1.9-3.5 2.1/5162=59, 4173=52...(27) HA GLN 61 + QD2 LEU 64 OK 95 98 100 97 1.9-4.2 4687/732=32...(20) HA THR 37 - QD2 LEU 64 far 0 83 0 - 5.0-8.3 HA LYS 32 - QD2 LEU 64 far 0 81 0 - 5.4-7.1 HA ARG 66 - QD2 LEU 64 far 0 81 0 - 6.8-8.0 HA2 GLY 72 - QD2 LEU 64 far 0 99 0 - 7.7-11.7 HA3 GLY 18 - QD2 LEU 64 far 0 65 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 4387 from cnoeabs.peaks (4.03, 0.94, 22.80 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: 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 OK 70 100 70 100 2.9-5.3 4468/2.1=62, 3.0/4460=40...(29) HA ARG 54 - QD2 LEU 43 far 0 78 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (3.66, 0.94, 22.80 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.98: HD3 PRO 44 + QD2 LEU 43 OK 98 98 100 100 1.9-3.3 1.8/4401=59...(21) HA ILE 40 - QD2 LEU 43 poor 16 65 25 - 4.7-6.5 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 1.9-3.7 1.8/4907=75, 4448=63...(20) HB3 ASP 38 - QD2 LEU 43 far 0 81 0 - 5.5-10.3 HB2 ASP 38 - QD2 LEU 43 far 0 83 0 - 6.2-9.2 Violated in 1 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (4.24, 1.99, 26.77 ppm; 4.44 A): 2 out of 13 assignments used, quality = 0.92: HA LYS 39 + HG LEU 43 OK 90 92 100 98 2.0-4.5 5357/2.1=76, 4371/623=65...(8) HA THR 15 + HG2 PRO 14 OK 21 57 95 38 4.5-6.2 3.0/5906=24, ~5906=18 HA LYS 39 - HG2 PRO 14 far 3 52 5 - 3.0-28.3 HA LYS 39 - HG3 PRO 14 far 3 52 5 - 4.0-29.4 HA THR 15 - HG3 PRO 14 far 0 57 0 - 6.0-7.5 HA ALA 12 - HG3 PRO 14 far 0 40 0 - 6.9-9.0 HA ALA 12 - HG2 PRO 14 far 0 40 0 - 7.5-8.8 HA THR 15 - HG LEU 43 far 0 97 0 - 7.9-31.8 HB THR 37 - HG2 PRO 14 far 0 56 0 - 9.0-27.1 HB THR 37 - HG LEU 43 far 0 96 0 - 9.3-11.3 HA GLU 19 - HG2 PRO 14 far 0 42 0 - 9.3-18.3 HA GLU 19 - HG3 PRO 14 far 0 42 0 - 9.3-19.5 HB THR 37 - HG3 PRO 14 far 0 56 0 - 9.5-28.5 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 4.4-4.7 4431/1.8=96, 6064/2.3=82...(11) H ILE 40 - HB3 PRO 36 poor 9 46 20 - 6.0-7.1 Violated in 2 structures by 0.01 A. Peak 4393 from cnoeabs.peaks (7.26, 2.09, 32.30 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.99: H ASP 47 + HB3 PRO 44 OK 99 99 100 100 3.0-3.6 4431=99, 6064/2.3=77...(16) 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 1.9-2.3 4431/2.3=90, 6064/1.8=90...(19) HE ARG 54 - HG2 PRO 44 far 0 95 0 - 9.3-14.1 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 1 assignment used, quality = 1.00: H ASP 47 + HG3 PRO 44 OK 100 100 100 100 3.5-4.1 6064=100, 4431/2.3=97...(9) 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 3 assignments used, quality = 0.97: HB3 ASP 47 + HD2 PRO 44 OK 97 97 100 100 2.0-4.0 4397/1.8=87, 1.8/5645=76...(15) HB3 ASP 38 - HD2 PRO 44 far 0 81 0 - 8.2-12.9 HB2 ASP 38 - HD2 PRO 44 far 0 83 0 - 9.4-12.4 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 3 assignments used, quality = 1.00: HB3 ASP 47 + HD3 PRO 44 OK 100 100 100 100 1.9-4.3 1.8/4435=74...(17) HB3 ASP 38 - HD3 PRO 44 far 0 63 0 - 8.3-13.0 HB2 ASP 38 - HD3 PRO 44 far 0 65 0 - 9.3-12.4 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 - 9.0-38.6 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 2.0-2.3 3.8=89, 4373/1.8=82...(11) HA LYS 13 - HD3 PRO 44 far 0 99 0 - 8.4-37.9 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 1 assignment used, quality = 1.00: HB3 LEU 43 + HD2 PRO 44 OK 100 100 100 100 2.3-4.3 4.8=100 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (0.93, 4.04, 50.94 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.97: QD2 LEU 43 + HD2 PRO 44 OK 97 97 100 100 1.9-3.5 4388/1.8=81...(19) QG2 ILE 40 - HD2 PRO 44 far 0 100 0 - 7.1-9.3 QG1 VAL 76 - HD2 PRO 44 far 0 95 0 - 7.4-17.9 QG2 VAL 76 - HD2 PRO 44 far 0 95 0 - 7.8-19.6 QG2 VAL 41 - HD2 PRO 44 far 0 100 0 - 8.5-9.3 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 2 assignments used, quality = 0.99: QD1 LEU 43 + HD2 PRO 44 OK 99 99 100 100 3.7-5.5 2.1/4401=98, ~4388=84...(20) QG1 VAL 41 - HD2 PRO 44 far 0 65 0 - 7.3-8.6 Violated in 10 structures by 0.05 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 2.4-3.9 4.8=94, 3.0/4399=83...(28) HG2 LYS 13 - HD3 PRO 44 far 0 96 0 - 9.8-39.1 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 1.9-3.3 4388=87, 4401/1.8=85...(21) QG2 ILE 40 - HD3 PRO 44 far 0 100 0 - 7.2-9.1 QG1 VAL 76 - HD3 PRO 44 far 0 99 0 - 8.3-17.9 QG2 VAL 41 - HD3 PRO 44 far 0 99 0 - 8.7-9.3 QG2 VAL 76 - HD3 PRO 44 far 0 99 0 - 8.7-19.6 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 2 assignments used, quality = 1.00: QD1 LEU 43 + HD3 PRO 44 OK 100 100 100 100 3.8-5.1 2.1/4388=97, 4.1/4399=73...(23) QG2 ILE 68 - HD3 PRO 44 far 0 71 0 - 9.7-12.1 Violated in 5 structures by 0.02 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 2.4-4.4 1.8/4407=82, 4866=64...(21) HB2 ASN 49 + HA VAL 45 OK 91 93 100 98 3.8-4.7 4.0/4487=39, ~4425=21...(17) Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (3.11, 3.69, 66.64 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.91: HB2 PHE 48 + HA VAL 45 OK 91 92 100 100 2.3-4.0 4455=51, 2.5/4418=51...(22) Violated in 1 structures by 0.01 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 3.2-4.7 3.5/4422=79, 3.5/4420=78...(16) HB3 PHE 48 + QG2 VAL 45 OK 95 95 100 100 3.9-5.6 2.5/4421=87, 1.8/4409=83...(17) 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 3.6-5.1 2.5/4421=85, 4407/3.2=66...(19) HD2 ARG 82 - QG2 VAL 45 far 4 76 5 - 6.0-27.1 HD3 ARG 84 - QG2 VAL 45 far 0 73 0 - 7.9-28.4 HD2 ARG 84 - QG2 VAL 45 far 0 78 0 - 8.3-28.4 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 3.4-4.4 3.0/4433=85, 4.0/166=81...(9) Violated in 0 structures by 0.00 A. Peak 4411 from cnoeabs.peaks (2.68, 0.99, 19.47 ppm; 4.99 A): 3 out of 4 assignments used, quality = 1.00: HB3 ASN 49 + QG1 VAL 45 OK 100 100 100 100 4.8-5.2 3.5/4425=78, 3.5/4423=78...(11) HB2 ASP 46 + QG1 VAL 45 OK 90 90 100 100 3.0-4.5 3.0/4433=86, 4.0/166=82...(11) HB2 ASP 47 + QG1 VAL 45 OK 26 89 35 84 6.2-7.2 637/4424=58, 3842/166=31...(5) HB2 ASN 80 - QG1 VAL 45 far 4 83 5 - 6.4-23.4 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 3.5-4.1 3.5/4425=87, 3.5/4423=87...(13) HB3 PHE 48 + QG1 VAL 45 OK 99 99 100 100 4.6-6.5 2.5/5656=77, ~4421=69...(18) 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...(12) HA LEU 43 - HA VAL 45 far 0 63 0 - 7.1-7.2 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...(10) 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 4.7-4.8 4433/2.1=92, 3.0/165=77...(18) HA ASP 67 - QG2 VAL 45 far 0 85 0 - 8.9-11.4 Violated in 20 structures by 0.07 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...(19) HA TYR 81 - QG1 VAL 45 far 0 60 0 - 5.6-25.1 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 2.5-3.8 2.5/4407=82, 4421/3.2=64...(19) QD TYR 81 - HA VAL 45 far 5 90 5 - 5.7-24.3 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 3.0-4.3 4499=99, 1.7/4422=77...(13) Violated in 9 structures by 0.11 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 2.9-4.1 4418/3.2=55, 2.5/4409=54...(17) QD TYR 81 - QG2 VAL 45 far 5 97 5 - 2.6-20.6 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 = 0.57: HD21 ASN 49 + QG2 VAL 45 OK 57 96 60 100 1.9-5.7 1.7/4499=74, 4497=73...(11) HE22 GLN 79 - QG2 VAL 45 far 5 98 5 - 3.9-22.2 Violated in 9 structures by 0.74 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 2.7-4.2 4500=94, 1.7/4425=76...(14) Violated in 4 structures by 0.03 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 4.4-4.7 919/166=89, 3.6/4433=76...(15) HE ARG 54 - QG1 VAL 45 far 0 100 0 - 10.0-14.2 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 2.8-4.5 4498=88, 1.7/4423=75...(12) HE22 GLN 79 - QG1 VAL 45 far 5 100 5 - 5.3-24.6 Violated in 11 structures by 0.17 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...(8) HB3 PRO 44 + HB3 ASP 46 OK 93 95 100 99 2.9-4.2 4431/170=94, 5131/634=43...(7) HG2 PRO 44 + HB3 ASP 46 OK 45 57 100 79 2.9-3.9 4394/170=40, 164/634=28...(7) 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...(19) QD1 LEU 64 - HA ASP 67 far 0 48 0 - 5.4-6.8 QD1 LEU 57 - HA ASP 67 far 0 82 0 - 9.6-10.6 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 2.0-4.8 5645=97, 1.8/4435=92...(17) HA PHE 48 + HB2 ASP 47 OK 96 96 100 100 3.8-5.6 3.0/173=87, 4468/4914=69...(10) Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (3.67, 2.67, 40.94 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HB2 ASP 47 OK 100 100 100 100 2.1-4.7 5644=97, 4397/1.8=81...(19) HA VAL 45 - HB2 ASP 47 far 3 65 5 - 5.7-7.1 Violated in 2 structures by 0.01 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 2.0-4.0 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...(10) HA ARG 26 - HB3 ASP 24 far 0 38 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 4437 from cnoeabs.peaks (3.67, 2.59, 40.94 ppm; 4.82 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HB3 ASP 47 OK 100 100 100 100 1.9-4.3 4397=100, 5644/1.8=85...(17) HA VAL 45 + HB3 ASP 47 OK 42 78 65 83 5.8-6.7 4930/638=39, 4451/174=31...(7) 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: HG2 PRO 44 + HA ASP 47 OK 98 99 100 98 4.0-4.5 ~6064=27, 5134/3.0=27...(23) HB2 GLU 50 + HA ASP 47 OK 95 100 100 95 2.5-4.7 4510=40, 3.9/4506=35...(13) HB3 GLU 50 + HA ASP 47 OK 93 100 100 93 3.2-4.8 4510=39, 3.9/4506=35...(12) HB VAL 45 - HA ASP 47 far 0 73 0 - 8.2-8.6 HD2 ARG 69 - HA ASP 47 far 0 97 0 - 8.5-13.3 HD3 ARG 69 - HA ASP 47 far 0 97 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (2.07, 2.70, 39.53 ppm; 5.74 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 45 + HB2 ASP 46 OK 100 100 100 100 5.2-6.9 3835/633=92, ~4410=74...(9) HB3 PRO 44 + HB2 ASP 46 OK 79 83 100 95 3.3-4.7 4431/169=83, 5131/633=36...(6) HG2 PRO 44 + HB2 ASP 46 OK 63 76 100 83 3.7-4.4 4394/169=50, 164/633=29...(7) HB2 GLU 50 - HB2 ASP 46 poor 15 57 90 29 5.0-7.4 6063/169=21, 4457/2117=8 HB3 GLU 50 - HB2 ASP 46 lone 4 57 65 10 5.1-8.8 5673/4.6=8 Violated in 0 structures by 0.00 A. Peak 4441 from cnoeabs.peaks (2.05, 2.67, 40.94 ppm; 5.07 A): 3 out of 6 assignments used, quality = 1.00: HG2 PRO 44 + HB2 ASP 47 OK 99 99 100 100 2.0-3.9 2.3/4435=84, 5134/1.8=77...(14) HB2 GLU 50 + HB2 ASP 47 OK 88 95 95 98 4.7-7.1 4510/3.0=42, ~4511=40...(11) HB3 GLU 50 + HB2 ASP 47 OK 32 95 35 96 5.8-7.4 4510/3.0=42, ~4511=40...(9) HD2 ARG 69 - HB2 ASP 47 far 0 76 0 - 6.9-12.6 HB VAL 45 - HB2 ASP 47 far 0 96 0 - 7.4-8.6 HD3 ARG 69 - HB2 ASP 47 far 0 76 0 - 8.0-11.3 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 2.0-5.0 4912=97, 4380/1.8=79...(20) HG3 LYS 39 - HB2 ASP 47 far 9 60 15 - 5.5-9.0 HG2 LYS 13 - HB2 ASP 47 far 0 97 0 - 8.7-41.2 HG3 LYS 13 - HB2 ASP 47 far 0 76 0 - 9.9-40.5 Violated in 3 structures by 0.03 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 2.0-4.0 4380=91, 3.1/4389=86...(20) HG3 LYS 39 - HB3 ASP 47 far 0 87 0 - 6.7-10.4 HG12 ILE 33 - HB3 ASP 24 far 0 40 0 - 8.5-12.2 QB ALA 30 - HB3 ASP 24 far 0 38 0 - 9.1-10.5 HG2 LYS 13 - HB3 ASP 47 far 0 100 0 - 9.7-39.5 HB3 ARG 69 - HB3 ASP 24 far 0 31 0 - 9.8-13.7 HB3 ARG 69 - HB3 ASP 47 far 0 63 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4444 from cnoeabs.peaks (2.06, 2.59, 40.94 ppm; 4.84 A): 4 out of 10 assignments used, quality = 1.00: HG2 PRO 44 + HB3 ASP 47 OK 97 97 100 100 2.0-3.5 2.3/4397=82, 5134=78...(15) HB2 GLU 50 + HB3 ASP 47 OK 81 89 95 96 5.0-7.6 4510/3.0=38, ~4511=37...(11) HB2 GLU 25 + HB3 ASP 24 OK 40 59 90 75 4.9-7.0 4.0/53=69, 3.0/5524=13...(4) HB3 GLU 25 + HB3 ASP 24 OK 22 59 50 75 5.0-7.3 4.0/53=69, 3.0/5524=13...(4) HB3 GLU 50 - HB3 ASP 47 far 4 89 5 - 6.1-7.3 HD2 ARG 69 - HB3 ASP 47 far 0 65 0 - 6.7-12.3 HB VAL 76 - HB3 ASP 24 far 0 52 0 - 7.0-19.0 HB VAL 45 - HB3 ASP 47 far 0 99 0 - 7.2-8.3 HD3 ARG 69 - HB3 ASP 47 far 0 65 0 - 7.4-11.4 HB3 GLU 19 - HB3 ASP 24 far 0 44 0 - 8.1-15.9 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 3.4-4.4 166/634=97, 4417/3.0=91...(9) 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 4 assignments used, quality = 1.00: QD2 LEU 43 + HB2 ASP 47 OK 100 100 100 100 2.0-3.5 4907=97, 4389/1.8=84...(21) QG2 ILE 40 - HB2 ASP 47 far 0 97 0 - 7.0-9.4 QG2 VAL 41 - HB2 ASP 47 far 0 99 0 - 9.0-11.3 QG1 VAL 76 - HB2 ASP 47 far 0 83 0 - 9.2-18.9 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 2.1-5.6 4914=99, 2.1/4907=89...(18) QG1 VAL 41 - HB2 ASP 47 far 0 57 0 - 8.8-11.0 Violated in 5 structures by 0.22 A. Peak 4448 from cnoeabs.peaks (0.94, 2.59, 40.94 ppm; 3.95 A): 1 out of 11 assignments used, quality = 0.99: QD2 LEU 43 + HB3 ASP 47 OK 99 99 100 100 1.9-3.7 4389=95, 4907/1.8=83...(20) HG12 ILE 68 - HB3 ASP 24 poor 19 48 45 88 3.0-9.3 ~4760=46, ~5976=29...(10) QD1 LEU 64 - HB3 ASP 24 far 7 46 15 - 5.0-8.0 QG2 VAL 41 - HB3 ASP 24 far 3 60 5 - 5.3-8.1 QG2 VAL 76 - HB3 ASP 24 far 2 48 5 - 4.0-16.9 QG1 VAL 76 - HB3 ASP 24 far 0 48 0 - 6.3-15.8 QG2 ILE 40 - HB3 ASP 47 far 0 99 0 - 6.9-9.1 QG2 ILE 40 - HB3 ASP 24 far 0 57 0 - 7.0-10.7 QG1 VAL 76 - HB3 ASP 47 far 0 90 0 - 8.5-17.9 QG2 VAL 41 - HB3 ASP 47 far 0 100 0 - 9.4-10.9 QG2 VAL 76 - HB3 ASP 47 far 0 90 0 - 9.4-19.7 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 2.3-4.3 2.1/4389=81, 4914/1.8=71...(17) QG2 ILE 68 + HB3 ASP 24 OK 36 47 85 90 3.0-7.1 ~4760=42, 4752=29...(9) QG1 VAL 41 - HB3 ASP 24 far 0 27 0 - 6.7-9.8 QD2 LEU 29 - HB3 ASP 24 far 0 44 0 - 6.9-11.0 QD2 LEU 64 - HB3 ASP 24 far 0 44 0 - 7.2-10.1 QD2 LEU 86 - HB3 ASP 24 far 0 57 0 - 7.6-36.3 QG1 VAL 41 - HB3 ASP 47 far 0 57 0 - 9.1-10.5 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 3.9-5.3 4907/3.0=84, 4389/3.0=83...(20) QG2 ILE 40 - HA ASP 47 far 0 100 0 - 8.1-9.7 QG1 VAL 76 - HA ASP 47 far 0 97 0 - 9.5-19.0 Violated in 3 structures by 0.04 A. Peak 4453 from cnoeabs.peaks (7.53, 4.03, 60.97 ppm; 4.35 A): 2 out of 4 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 OK 43 99 45 97 5.4-6.7 624/4468=63, 621/4463=48...(9) H ARG 54 - HA PHE 48 far 0 100 0 - 7.3-8.1 HD21 ASN 80 - HA PHE 48 far 0 85 0 - 9.6-25.2 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 3.4-3.9 4506=85, 6130/3.0=49...(11) H TYR 55 - HA ASP 47 far 0 87 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4455 from cnoeabs.peaks (3.69, 3.13, 38.68 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 45 + HB2 PHE 48 OK 100 100 100 100 2.3-4.0 4407=90, 4418/2.5=61...(21) HD3 PRO 44 + HB2 PHE 48 OK 36 73 55 89 4.9-7.1 4.8/4472=31, 4.8/4471=31...(11) 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 2.9-4.5 3.1/4468=85, 4475/3.0=71...(25) HG3 ARG 66 - HA PHE 48 far 0 81 0 - 9.2-12.3 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 2.2-3.0 4523=97, 1.8/4466=68...(17) HD2 LYS 39 - HA PHE 48 far 10 100 10 - 5.0-9.2 HD3 LYS 39 - HA PHE 48 far 10 99 10 - 5.4-8.8 HG3 ARG 54 - HA PHE 48 far 0 96 0 - 7.0-9.3 HD2 LYS 73 - HA PHE 48 far 0 78 0 - 7.6-15.9 HD3 LYS 73 - HA PHE 48 far 0 78 0 - 8.4-15.7 HG LEU 62 - HA PHE 48 far 0 78 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 4465 from cnoeabs.peaks (1.43, 4.03, 60.97 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 43 + HA PHE 48 OK 100 100 100 100 2.8-4.1 3.1/4468=84, 1.8/4463=78...(27) HG3 LYS 39 - HA PHE 48 poor 20 60 65 51 5.3-7.9 5206/4468=36...(5) HG2 LYS 13 - HA PHE 48 far 0 97 0 - 9.2-36.1 Violated in 0 structures by 0.00 A. Peak 4466 from cnoeabs.peaks (1.32, 4.03, 60.97 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 51 + HA PHE 48 OK 100 100 100 100 2.6-3.5 1.8/4523=90, 4524=82...(12) HG2 ARG 54 - HA PHE 48 far 0 97 0 - 6.8-9.5 HB2 LEU 52 - HA PHE 48 far 0 85 0 - 6.9-7.7 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 6 assignments used, quality = 1.00: QD2 LEU 43 + HA PHE 48 OK 100 100 100 100 2.9-5.3 2.1/4468=87, 4460/3.0=63...(29) QG2 ILE 40 + HA PHE 48 OK 89 94 100 94 4.1-5.8 5128/3.7=48...(15) QD2 LEU 62 - HA PHE 48 far 0 94 0 - 7.2-9.5 QG2 VAL 41 - HA PHE 48 far 0 99 0 - 7.4-8.6 QG1 VAL 76 - HA PHE 48 far 0 78 0 - 7.9-15.9 QG2 VAL 76 - HA PHE 48 far 0 78 0 - 8.8-17.8 Violated in 8 structures by 0.06 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 2.4-3.6 5295=75, 4370/3.7=41...(30) QG2 ILE 68 - HA PHE 48 far 0 76 0 - 7.8-9.9 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 3.7-4.9 2.1/4470=90, 3.1/4523=88...(13) 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 2.7-3.6 4521=92, 3.1/4523=74...(17) 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 2.9-5.4 4475/1.8=91, 1.8/4472=81...(23) HG3 ARG 66 - HB2 PHE 48 far 0 81 0 - 8.3-11.3 HG2 ARG 70 - HB2 PHE 48 far 0 99 0 - 8.9-13.4 Violated in 1 structures by 0.01 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 3.1-4.7 1.8/4471=81, 4379/1.8=79...(26) HG3 LYS 39 - HB2 PHE 48 far 3 60 5 - 6.2-10.2 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 = 0.95: QG2 VAL 45 + HB2 PHE 48 OK 83 83 100 100 3.6-5.1 3.2/4407=90, 4409=83...(19) QD1 ILE 40 + HB2 PHE 48 OK 70 73 95 100 6.1-8.3 ~5128=73, ~5618=72...(10) 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 8 assignments used, quality = 1.00: HB2 LEU 43 + HB3 PHE 48 OK 100 100 100 100 2.2-4.8 4382=72, 4471/1.8=65...(23) HB3 ARG 17 - HB2 PHE 35 far 0 37 0 - 6.5-24.7 HB2 LEU 43 - HB2 PHE 35 far 0 55 0 - 7.0-8.1 HB3 ARG 17 - HB3 PHE 35 far 0 41 0 - 7.0-25.9 HB2 LEU 43 - HB3 PHE 35 far 0 60 0 - 7.7-9.2 HG3 ARG 66 - HB3 PHE 48 far 0 68 0 - 8.8-11.6 HG2 ARG 70 - HB3 PHE 48 far 0 94 0 - 9.2-13.3 HB2 LEU 29 - HB2 PHE 35 far 0 54 0 - 9.8-14.4 Violated in 1 structures by 0.01 A. Peak 4476 from cnoeabs.peaks (1.42, 2.88, 38.68 ppm; 4.79 A): 3 out of 14 assignments used, quality = 0.98: HB3 LEU 43 + HB3 PHE 48 OK 93 93 100 100 2.0-4.7 1.8/4475=83, 4472/1.8=66...(25) HG3 LYS 39 + HB3 PHE 35 OK 42 45 100 93 4.4-6.1 ~5939=48, ~5940=33...(16) HG3 LYS 39 + HB2 PHE 35 OK 38 41 100 93 3.2-5.0 ~5939=48, ~5940=33...(15) HG3 LYS 39 - HB3 PHE 48 poor 10 85 35 32 5.2-9.5 5206/4478=24, 4465/3.0=10 HB3 ARG 69 - HB3 PHE 48 poor 6 60 45 23 4.9-7.8 ~4621=10, ~5218=8, ~4622=5 HG2 LYS 13 - HB3 PHE 35 far 0 61 0 - 6.4-31.6 HG2 LYS 13 - HB2 PHE 35 far 0 55 0 - 6.8-31.2 HG12 ILE 33 - HB2 PHE 35 far 0 38 0 - 7.3-9.1 HG12 ILE 33 - HB3 PHE 35 far 0 42 0 - 7.7-9.4 HB3 LEU 43 - HB2 PHE 35 far 0 47 0 - 8.1-9.1 HB3 LEU 43 - HB3 PHE 35 far 0 52 0 - 8.6-10.0 HB3 ARG 69 - HB2 PHE 35 far 0 27 0 - 9.6-12.8 HG13 ILE 89 - HB3 PHE 35 far 0 49 0 - 9.6-49.9 HG13 ILE 89 - HB2 PHE 35 far 0 45 0 - 9.6-48.7 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 9 assignments used, quality = 1.00: QD1 ILE 40 + HB3 PHE 48 OK 99 99 100 100 6.0-7.8 5619/2.5=94, 4316/4.4=80...(12) QD1 ILE 40 + HB3 PHE 35 OK 58 58 100 100 5.1-6.8 4318/2.6=98, ~4322=75...(14) QD1 ILE 40 + HB2 PHE 35 OK 53 53 100 100 3.9-5.8 4318/2.6=98, ~4322=75...(14) HG3 PRO 34 + HB3 PHE 35 OK 42 42 100 100 4.0-5.6 ~4242=82, ~4649=80...(13) HG3 PRO 34 + HB2 PHE 35 OK 38 38 100 100 4.8-6.6 ~4242=82, ~4649=80...(14) QD1 LEU 57 + HB3 PHE 35 OK 31 33 100 95 5.6-7.6 ~5742=73, 4577/4.5=46...(5) QD1 LEU 57 + HB2 PHE 35 OK 28 29 100 95 6.0-7.7 ~5742=73, 4577/4.5=46...(5) QD1 LEU 57 - HB3 PHE 48 far 10 65 15 - 7.7-8.9 HG3 PRO 34 - HB3 PHE 48 far 0 81 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (0.84, 2.88, 38.68 ppm; 4.92 A): 3 out of 10 assignments used, quality = 0.98: QD1 LEU 43 + HB3 PHE 48 OK 96 96 100 100 3.3-5.2 4370/2.5=82, 4468/3.0=81...(24) QD1 LEU 43 + HB3 PHE 35 OK 31 54 100 57 5.1-6.2 4913=38, 4520/4865=19...(5) QD1 LEU 43 + HB2 PHE 35 OK 29 49 100 59 4.5-5.5 4913/1.8=33...(6) QD2 LEU 29 - HB2 PHE 35 far 0 55 0 - 7.4-11.7 QG2 ILE 89 - HB3 PHE 35 far 0 61 0 - 7.9-41.9 QD2 LEU 64 - HB2 PHE 35 far 0 55 0 - 7.9-9.8 QD2 LEU 29 - HB3 PHE 35 far 0 60 0 - 8.0-12.0 QG2 ILE 89 - HB2 PHE 35 far 0 55 0 - 8.1-40.9 QD2 LEU 64 - HB3 PHE 35 far 0 60 0 - 8.6-10.0 QD2 LEU 86 - HB2 PHE 35 far 0 52 0 - 9.6-34.6 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 3 assignments used, quality = 0.99: HB3 LEU 52 + HA ASN 49 OK 99 100 100 99 3.2-4.1 1.8/4484=67, 3.1/4486=58...(8) HB3 LEU 57 - HA ASN 49 far 0 100 0 - 9.2-11.0 QB ALA 63 - HA ASN 49 far 0 92 0 - 9.8-12.5 Violated in 3 structures by 0.02 A. Peak 4484 from cnoeabs.peaks (1.33, 4.14, 55.66 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 52 + HA ASN 49 OK 100 100 100 100 4.6-5.5 1.8/4483=83, 3.1/4486=65...(7) HB2 LEU 51 - HA ASN 49 far 14 97 15 - 4.9-6.9 HG2 ARG 54 - HA ASN 49 far 0 68 0 - 7.8-9.4 Violated in 20 structures by 0.93 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 2.3-4.2 2.1/4486=81, 3.0/4483=67...(10) QG2 VAL 65 - HA ASN 49 far 0 89 0 - 5.9-8.3 Violated in 1 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 2.1-3.5 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 2.9-4.2 5360/1.8=77...(12) Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (7.05, 4.14, 55.66 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.83: QD PHE 48 + HA ASN 49 OK 83 83 100 100 3.1-4.1 2.2/4493=83, 180/3.0=64...(13) Violated in 0 structures by 0.00 A. Peak 4493 from cnoeabs.peaks (7.18, 4.14, 55.66 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.59: QE PHE 48 + HA ASN 49 OK 59 60 100 99 4.2-4.7 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 3.5-4.0 667/4483=64, 668/4485=60...(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 4.0-4.7 923/3.6=83, 924/4494=71...(5) HD21 ASN 80 - HA ASN 49 far 5 95 5 - 5.4-27.9 H ARG 54 - HA ASN 49 far 0 100 0 - 6.7-7.3 H LEU 43 - HA ASN 49 far 0 96 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (1.39, 3.96, 59.12 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 53 + HA GLU 50 OK 100 100 100 100 2.3-3.2 4962=98, 673/4549=55...(12) 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 = 0.99: QD1 ILE 33 + HA GLN 61 OK 96 97 100 100 2.5-4.1 4227=49, 4224/4.0=48...(28) QD2 LEU 57 + HA GLN 61 OK 72 96 75 100 4.2-6.1 4985/3.0=55, 4602/3.0=50...(27) QD2 LEU 57 - HA GLU 50 far 0 100 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 4504 from cnoeabs.peaks (0.85, 3.96, 59.12 ppm; 4.90 A): 2 out of 7 assignments used, quality = 0.96: QD2 LEU 64 + HA GLN 61 OK 95 95 100 100 1.9-4.2 732/4687=62, 4384=48...(21) QD1 LEU 62 + HA GLN 61 OK 23 70 35 95 5.6-7.0 723/3.6=54, 2600/4.7=49...(10) QD1 LEU 43 - HA GLU 50 far 0 78 0 - 6.7-8.3 QD1 LEU 62 - HA GLU 50 far 0 76 0 - 7.0-10.0 QD2 LEU 29 - HA GLN 61 far 0 95 0 - 8.9-11.0 QG2 ILE 89 - HA GLN 61 far 0 92 0 - 9.2-45.5 QD1 LEU 29 - HA GLN 61 far 0 55 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 4505 from cnoeabs.peaks (0.94, 3.96, 59.12 ppm; 5.29 A): 2 out of 7 assignments used, quality = 0.93: QD1 LEU 64 + HA GLN 61 OK 89 89 100 100 4.3-6.0 2.1/4504=69...(15) QD2 LEU 62 + HA GLN 61 OK 40 90 45 99 5.2-7.1 722/3.6=75, 2593/4.7=71...(13) QD2 LEU 62 - HA GLU 50 far 0 96 0 - 6.8-9.5 QD2 LEU 43 - HA GLU 50 far 0 100 0 - 7.2-9.2 HG12 ILE 68 - HA GLN 61 far 0 74 0 - 7.2-10.4 QG2 ILE 40 - HA GLN 61 far 0 90 0 - 8.2-9.7 QG2 ILE 40 - HA GLU 50 far 0 96 0 - 8.9-10.5 Violated in 6 structures by 0.03 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 3.0-3.7 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 2 assignments used, quality = 0.99: HA ASP 47 + HB2 GLU 50 OK 94 98 100 96 2.5-4.7 4506/3.9=41, 4511/3.0=35...(13) HA ASP 47 + HB3 GLU 50 OK 92 98 100 94 3.2-4.8 4506/3.9=41, 4511/3.0=35...(12) Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (4.38, 2.37, 36.01 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + HG2 GLU 50 OK 99 100 100 99 3.5-5.6 4506/655=68, 4934=53...(10) Violated in 11 structures by 0.23 A. Peak 4512 from cnoeabs.peaks (4.40, 2.21, 36.01 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.93: HA ASP 47 + HG3 GLU 50 OK 93 93 100 100 2.7-4.8 4506/656=87, 4511/1.8=78...(9) 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 2.6-4.8 3.6/5220=59, 3.6/5219=56...(16) HD3 ARG 54 + HA LEU 51 OK 98 98 100 100 3.8-5.5 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): 4 out of 8 assignments used, quality = 1.00: HB3 LYS 39 + QD2 LEU 51 OK 95 100 95 100 2.0-6.4 5205=80, 1.8/5204=68...(22) HB2 ARG 54 + QD2 LEU 51 OK 81 90 90 99 4.9-7.0 ~5145=46, 4517/2.1=40...(19) HB2 PRO 34 + QD2 LEU 51 OK 40 100 55 74 5.2-8.0 4247/4665=31...(8) HG2 PRO 34 + QD2 LEU 51 OK 30 78 45 84 4.5-7.1 4242/4568=39...(10) HB2 LEU 57 - QD2 LEU 51 far 9 92 10 - 5.5-9.0 HB2 LYS 13 - QD2 LEU 51 far 5 99 5 - 5.8-26.3 HB2 ARG 69 - QD2 LEU 51 far 0 81 0 - 6.4-8.9 HB ILE 33 - QD2 LEU 51 far 0 95 0 - 6.7-8.2 Violated in 1 structures by 0.01 A. Peak 4516 from cnoeabs.peaks (2.87, 0.19, 24.73 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 48 + QD2 LEU 51 OK 99 99 100 100 4.1-5.6 2.5/4527=67, 3.0/4470=61...(18) HB2 PHE 35 + QD2 LEU 51 OK 81 81 100 100 2.7-4.0 2.6/4568=76, 1.8/4865=67...(18) HB2 ASN 49 - QD2 LEU 51 far 0 73 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 4517 from cnoeabs.peaks (1.77, 0.62, 23.89 ppm; 4.21 A): 3 out of 8 assignments used, quality = 0.98: HB2 ARG 54 + QD1 LEU 51 OK 93 98 95 100 2.7-6.4 5219/2245=53...(19) HB3 LYS 39 + QD1 LEU 51 OK 58 99 60 99 3.4-6.4 5205/2.1=57, ~5204=43...(18) HB2 PRO 34 + QD1 LEU 51 OK 29 100 40 72 4.5-7.0 4643/4533=26...(9) HG2 PRO 34 - QD1 LEU 51 poor 18 92 20 - 5.5-7.2 HB2 LYS 13 - QD1 LEU 51 far 5 92 5 - 5.3-28.1 HB2 LEU 57 - QD1 LEU 51 far 0 99 0 - 7.2-10.0 HB ILE 33 - QD1 LEU 51 far 0 99 0 - 7.8-9.8 HB2 ARG 69 - QD1 LEU 51 far 0 63 0 - 8.5-11.3 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 3.2-4.6 2.6/4534=66, 1.8/5353=54...(17) HB3 PHE 35 + QD1 LEU 51 OK 57 57 100 100 2.5-4.2 2.6/4534=66, 3.0/5682=46...(19) HB3 PHE 48 - QD1 LEU 51 far 5 100 5 - 5.3-7.2 HB2 ASN 49 - QD1 LEU 51 far 0 89 0 - 7.6-8.7 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 = 0.92: HD2 ARG 54 + QD1 LEU 51 OK 76 93 85 96 2.4-5.5 4573=35, 3.0/2246=30...(15) HD3 ARG 54 + QD1 LEU 51 OK 66 92 75 96 4.0-5.8 4573=35, 1.8/4573=30...(14) Violated in 14 structures by 0.21 A. Peak 4520 from cnoeabs.peaks (0.83, 0.19, 24.73 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 43 + QD2 LEU 51 OK 100 100 100 100 1.8-3.3 4917=95, 2.1/4916=48...(22) QG2 ILE 68 - QD2 LEU 51 far 0 68 0 - 5.7-7.9 QD2 LEU 64 - QD2 LEU 51 far 0 97 0 - 6.9-8.7 QD2 LEU 29 - QD2 LEU 51 far 0 97 0 - 8.5-12.1 QG2 ILE 89 - QD2 LEU 51 far 0 99 0 - 8.9-32.9 QD1 ILE 89 - QD2 LEU 51 far 0 73 0 - 9.0-33.8 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 2.7-3.6 4470=99, 4523/3.1=76...(17) HD2 PRO 44 - QD2 LEU 51 far 5 92 5 - 5.9-8.8 HA ARG 54 - QD2 LEU 51 far 0 92 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (4.02, 0.62, 23.89 ppm; 4.51 A): 2 out of 3 assignments used, quality = 1.00: HA PHE 48 + QD1 LEU 51 OK 100 100 100 100 3.7-4.9 4523/3.1=73, 4470/2.1=73...(13) HA ARG 54 + QD1 LEU 51 OK 45 90 50 99 5.3-7.6 3.6/4946=48, 3.0/5145=42...(17) HD2 PRO 44 - QD1 LEU 51 far 0 93 0 - 6.7-9.1 Violated in 2 structures by 0.00 A. Peak 4523 from cnoeabs.peaks (4.03, 1.60, 41.26 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + HB3 LEU 51 OK 100 100 100 100 2.2-3.0 4464=80, 4466/1.8=60...(17) HD2 PRO 44 - HB3 LEU 51 far 0 97 0 - 6.5-9.4 HA ARG 54 - HB3 LEU 51 far 0 83 0 - 7.5-8.3 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 2.6-3.5 4466=85, 4464/1.8=73...(12) HD2 PRO 44 - HB2 LEU 51 far 0 65 0 - 6.6-10.2 HA PHE 48 - HB2 LEU 52 far 0 47 0 - 6.9-7.7 HA ARG 54 - HB2 LEU 51 far 0 100 0 - 7.3-8.2 HA ARG 54 - HB2 LEU 52 far 0 60 0 - 7.7-8.2 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 2.6-3.3 4625=98, 4370/4917=61...(20) QD TYR 81 - QD2 LEU 51 far 0 95 0 - 9.6-20.9 Violated in 0 structures by 0.00 A. Peak 4528 from cnoeabs.peaks (6.95, 0.19, 24.73 ppm; 4.27 A): 3 out of 4 assignments used, quality = 1.00: HZ PHE 35 + QD2 LEU 51 OK 100 100 100 100 2.7-4.3 2.2/4584=76...(23) QE PHE 35 + QD2 LEU 51 OK 99 99 100 100 2.6-3.7 4584=96, 2.2/4568=78...(26) HZ PHE 48 + QD2 LEU 51 OK 52 100 55 95 5.2-6.2 4546/4527=56...(11) HD22 ASN 42 - QD2 LEU 51 far 0 95 0 - 8.1-10.4 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 3.2-4.4 4648=100, 4647/2.1=99...(23) HE22 GLN 61 - QD2 LEU 51 far 0 78 0 - 8.0-9.3 QE TYR 81 - QD2 LEU 51 far 0 78 0 - 8.4-21.2 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 2.7-3.5 4568=93, 4534/2.1=81...(34) 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 2.2-4.2 2.2/4533=88, 4637=62...(30) Violated in 0 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (6.94, 0.62, 23.89 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 51 OK 100 100 100 100 3.2-4.7 4580=87, 4584/2.1=79...(27) HZ PHE 35 + QD1 LEU 51 OK 99 99 100 100 4.6-5.7 2.2/4580=64...(22) HZ PHE 48 - QD1 LEU 51 far 0 99 0 - 7.6-8.6 HD22 ASN 42 - QD1 LEU 51 far 0 100 0 - 9.6-11.8 Violated in 2 structures by 0.02 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 1.9-3.5 5727=86, 4646/2.1=56...(23) QE TYR 81 - QD1 LEU 51 far 0 78 0 - 7.2-22.7 HE22 GLN 61 - QD1 LEU 51 far 0 78 0 - 8.6-10.6 Violated in 1 structures by 0.00 A. Peak 4534 from cnoeabs.peaks (6.65, 0.62, 23.89 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD1 LEU 51 OK 100 100 100 100 2.4-4.0 4568/2.1=75, 4564/2.1=66...(31) Violated in 1 structures by 0.00 A. Peak 4536 from cnoeabs.peaks (6.94, 3.81, 57.23 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + HA LEU 52 OK 100 100 100 100 2.5-5.0 4570=92, 4581/2287=71...(11) HZ PHE 35 + HA LEU 52 OK 97 100 100 97 2.0-5.0 2.2/4570=69...(11) HZ PHE 48 - HA LEU 52 far 0 100 0 - 6.0-7.7 Violated in 1 structures by 0.01 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 3.1-4.2 5361/2.1=92, 4959/2.1=91...(14) 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 2.1-3.0 4614=75, 4540/2.1=63...(25) Violated in 0 structures by 0.00 A. Peak 4539 from cnoeabs.peaks (6.94, 0.44, 24.59 ppm; 3.68 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QD1 LEU 52 OK 99 100 100 99 2.2-3.3 2.2/4538=64, 4619=59...(17) QE PHE 35 + QD1 LEU 52 OK 74 100 75 99 4.4-6.0 4581/2.1=67, 4582=55...(16) HZ PHE 35 + QD1 LEU 52 OK 73 100 75 97 3.6-5.7 2.2/4582=49, 4595=42...(14) 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 = 0.94: QE PHE 48 + QD2 LEU 52 OK 94 95 100 100 1.9-3.1 4538/2.1=69, 4613=65...(21) 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 96 99 100 97 2.2-4.0 2.2/4540=49, 4618=45...(14) QE PHE 35 + QD2 LEU 52 OK 95 97 100 99 2.4-3.8 4581=66, 4582/2.1=36...(20) HZ PHE 35 + QD2 LEU 52 OK 95 97 100 98 1.9-3.3 2.2/4581=53, 4594=46...(18) 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 = 1.00: HA ASN 49 + HB2 LEU 52 OK 100 100 100 100 4.6-5.5 4484=100, 4483/1.8=91...(7) HA ALA 53 + HB2 LEU 52 OK 60 60 100 100 4.3-4.9 ~203=53, 3.0/3863=51...(15) HA ASN 49 - HB2 LEU 51 far 9 60 15 - 4.9-6.9 HA ALA 53 - HB2 LEU 51 far 0 30 0 - 7.3-8.6 Violated in 2 structures by 0.00 A. Peak 4544 from cnoeabs.peaks (4.14, 1.47, 40.92 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 49 + HB3 LEU 52 OK 100 100 100 100 3.2-4.1 4483=100, 4484/1.8=80...(8) HA ALA 53 + HB3 LEU 52 OK 73 73 100 99 4.0-4.5 3.0/203=74, ~3863=32...(14) Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (4.14, 1.20, 26.33 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 49 + HG LEU 52 OK 100 100 100 100 2.3-4.2 4485=100, 4486/2.1=96...(10) HA ALA 53 + HG LEU 52 OK 53 71 75 100 6.0-6.6 3.0/204=75, ~3866=49...(14) Violated in 0 structures by 0.00 A. Peak 4546 from cnoeabs.peaks (4.14, 0.44, 24.59 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 49 + QD1 LEU 52 OK 100 100 100 100 2.1-3.5 4486=99, 4485/2.1=64...(9) HA ALA 53 - QD1 LEU 52 far 0 78 0 - 5.7-5.8 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (3.92, 0.51, 22.90 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 62 + QD2 LEU 52 OK 100 100 100 100 2.9-5.4 2593/5237=68...(16) HA LEU 51 + QD2 LEU 52 OK 60 65 95 97 4.3-6.3 3.6/670=65, 4.3/4952=40...(11) HA THR 37 - QD2 LEU 52 far 0 90 0 - 6.1-8.1 Violated in 2 structures by 0.01 A. Peak 4548 from cnoeabs.peaks (4.13, 0.51, 22.90 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 49 + QD2 LEU 52 OK 100 100 100 100 3.8-4.8 4486/2.1=91, 4485/2.1=82...(8) HA ALA 53 + QD2 LEU 52 OK 63 63 100 100 5.6-6.0 3.0/3867=63, ~204=43...(13) Violated in 4 structures by 0.01 A. Peak 4550 from cnoeabs.peaks (0.89, 3.81, 57.23 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 51 + HA LEU 52 OK 100 100 100 100 3.1-4.7 197/3.0=69, 4952/2287=53...(18) QD1 LEU 62 + HA LEU 52 OK 71 93 80 95 3.9-7.6 2.1/5957=66, ~5004=48...(8) 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 1.9-2.8 4607=72, 4554/2287=65...(17) 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 3.4-4.7 4554/2.1=89, ~5751=48...(15) QD2 LEU 43 - HG LEU 52 far 0 78 0 - 6.6-9.0 QG1 VAL 45 - HG LEU 52 far 0 85 0 - 7.8-8.9 QD1 LEU 64 - HG LEU 52 far 0 96 0 - 9.2-12.1 Violated in 2 structures by 0.01 A. Peak 4553 from cnoeabs.peaks (0.93, 0.44, 24.59 ppm; 4.03 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 62 + QD1 LEU 52 OK 100 100 100 100 1.8-3.4 4680=100, 5237/2.1=77...(20) QG2 ILE 40 + QD1 LEU 52 OK 86 100 100 86 3.7-5.4 4323/4538=50...(9) QD1 LEU 64 - QD1 LEU 52 far 0 71 0 - 6.5-9.3 HG12 ILE 68 - QD1 LEU 52 far 0 98 0 - 6.6-11.1 QG1 VAL 76 - QD1 LEU 52 far 0 98 0 - 6.6-15.2 QD2 LEU 43 - QD1 LEU 52 far 0 92 0 - 6.9-8.8 QG2 VAL 76 - QD1 LEU 52 far 0 98 0 - 7.0-13.6 QG2 VAL 41 - QD1 LEU 52 far 0 100 0 - 7.2-9.0 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 1.8-2.7 4613=58, 4551/2287=38...(20) QD1 LEU 64 - QD2 LEU 52 far 0 76 0 - 6.1-8.7 QG1 VAL 45 - QD2 LEU 52 far 0 99 0 - 7.7-8.7 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 3.7-4.9 2.1/4554=99, 2.1/5751=75...(19) HB3 ARG 66 + QD2 LEU 52 OK 66 87 80 95 4.7-7.8 3.0/5695=70, ~4956=46...(7) HG LEU 43 - QD2 LEU 52 far 0 60 0 - 6.6-8.7 HB2 LEU 64 - QD2 LEU 52 far 0 96 0 - 6.8-8.6 HB2 MET 31 - QD2 LEU 52 far 0 73 0 - 8.1-9.9 HB3 ARG 70 - QD2 LEU 52 far 0 100 0 - 8.4-11.1 HB2 ARG 70 - QD2 LEU 52 far 0 100 0 - 8.5-12.3 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 3.7-4.4 4582=99, 210/3.6=88...(6) 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 2.2-4.4 4563/1.8=71, ~4644=66...(25) QD TYR 55 + HB2 PRO 34 OK 32 32 100 100 2.0-3.5 4666/1.8=60, ~4667=56...(30) Violated in 0 structures by 0.00 A. Peak 4562 from cnoeabs.peaks (6.80, 1.76, 30.94 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.94: QE TYR 55 + HB2 ARG 54 OK 90 90 100 100 2.8-5.8 4644/1.8=87, ~4634=64...(22) QE TYR 55 + HB2 PRO 34 OK 41 41 100 100 2.0-5.2 4667/1.8=74, 4664/2.3=69...(19) QE TYR 55 - HB3 ARG 17 far 0 40 0 - 9.8-26.8 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 3.0-4.2 2.2/4644=95, 4634=73...(26) 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 3 assignments used, quality = 1.00: HE ARG 54 + HD2 ARG 54 OK 93 93 100 100 2.7-2.9 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 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 4565 from cnoeabs.peaks (6.81, 3.03, 43.51 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 55 + HD3 ARG 54 OK 99 99 100 100 2.2-5.8 4644/3.6=62, 4969/3.0=45...(15) QE TYR 55 + HD2 ARG 54 OK 89 99 90 100 2.1-6.0 4644/3.6=62, 4969/3.0=45...(15) Violated in 2 structures by 0.00 A. Peak 4566 from cnoeabs.peaks (6.80, 1.58, 27.15 ppm; 6.06 A): 1 out of 6 assignments used, quality = 0.97: QE TYR 55 + HG3 ARG 54 OK 97 97 100 100 3.9-6.1 4644/3.0=97, 4969/1.8=96...(20) QE TYR 81 - HG2 ARG 84 poor 13 66 20 - 5.5-12.6 QE TYR 81 - HG3 ARG 84 far 10 66 15 - 5.1-14.0 HE22 GLN 61 - HG LEU 62 far 8 53 15 - 6.2-9.5 QE TYR 81 - HG LEU 86 far 0 56 0 - 8.6-19.9 QE TYR 55 - HG LEU 62 far 0 84 0 - 9.3-11.8 Violated in 3 structures by 0.00 A. Peak 4568 from cnoeabs.peaks (3.89, 1.76, 30.94 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: HA LEU 51 + HB2 ARG 54 OK 99 99 100 100 2.0-4.2 5219=99, 5220/1.8=88...(18) HA ILE 33 + HB2 PRO 34 OK 51 51 100 100 4.8-5.5 4217/3.0=80, 4216/3.0=77...(20) HD2 PRO 36 - HB3 ARG 17 far 4 41 10 - 3.5-25.3 HD2 PRO 36 - HB2 PRO 34 far 0 42 0 - 6.4-8.3 HA LEU 51 - HB2 PRO 34 far 0 50 0 - 7.1-10.4 HA ILE 33 - HB3 ARG 17 far 0 49 0 - 8.7-24.7 HD2 PRO 36 - HB2 ARG 54 far 0 92 0 - 9.1-13.2 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 2 assignments used, quality = 1.00: HA LEU 51 + HB3 ARG 54 OK 100 100 100 100 3.5-4.7 5220=96, 5219/1.8=87...(16) HD2 PRO 36 - HB3 ARG 54 far 0 76 0 - 9.6-13.0 Violated in 3 structures by 0.02 A. Peak 4570 from cnoeabs.peaks (3.90, 1.31, 27.15 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 51 + HG2 ARG 54 OK 99 99 100 100 2.0-5.1 5220/3.0=79, 5219/3.0=76...(18) HA LEU 62 - HG2 ARG 54 far 0 76 0 - 9.9-14.4 Violated in 1 structures by 0.02 A. Peak 4571 from cnoeabs.peaks (3.90, 3.03, 43.51 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 51 + HD2 ARG 54 OK 99 100 100 100 2.6-4.8 5220/3.6=55, 5219/3.6=52...(16) HA LEU 51 + HD3 ARG 54 OK 99 100 100 100 3.8-5.5 5220/3.6=55, 5219/3.6=52...(17) HD2 PRO 36 - HD2 ARG 54 far 0 73 0 - 9.4-15.1 Violated in 3 structures by 0.00 A. Peak 4572 from cnoeabs.peaks (3.89, 1.58, 27.15 ppm; 4.11 A): 2 out of 9 assignments used, quality = 1.00: HA LEU 51 + HG3 ARG 54 OK 100 100 100 100 1.9-4.4 5220/3.0=64, 5219/3.0=61...(18) HA LEU 62 + HG LEU 62 OK 49 49 100 100 2.1-3.2 4.3=89, 2569/2.1=51...(30) HB3 SER 22 - HG3 ARG 84 far 0 81 0 - 5.9-37.2 HD2 PRO 36 - HG LEU 86 far 0 46 0 - 7.3-44.3 HB3 SER 22 - HG2 ARG 84 far 0 81 0 - 7.3-36.2 HA ILE 33 - HG LEU 62 far 0 88 0 - 8.1-10.0 HA LEU 51 - HG LEU 62 far 0 90 0 - 8.5-11.7 HA ILE 33 - HG LEU 86 far 0 68 0 - 9.7-46.6 HA LEU 62 - HG3 ARG 54 far 0 60 0 - 9.9-13.9 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 = 0.96: QD1 LEU 51 + HD2 ARG 54 OK 80 87 95 97 2.4-5.5 4519=43, 5145/3.6=38...(15) QD1 LEU 51 + HD3 ARG 54 OK 80 87 95 97 4.0-5.8 5145/3.6=38, 4519/1.8=37...(14) Violated in 14 structures by 0.07 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 + HD3 PRO 56 OK 100 100 100 100 4.5-5.1 4.8=95, 687/4.6=63...(10) H TYR 55 + HD2 PRO 56 OK 100 100 100 100 4.8-4.8 4.8=95, 687/4.6=63...(10) H GLN 61 - HD2 PRO 56 far 0 97 0 - 9.8-11.5 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 2.0-3.9 4.6=68, 4555/3.8=57...(11) QD TYR 55 + HD3 PRO 56 OK 99 100 100 99 3.5-4.7 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 2.0-2.5 3.8=51, 1.8/4977=31...(15) 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 3.5-4.4 4.8=74, 4.8/684=51...(16) HD3 PRO 56 + HB2 TYR 55 OK 99 99 100 100 4.6-5.1 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 1.9-3.1 4.8=66, 4.8/685=45...(16) HD3 PRO 56 + HB3 TYR 55 OK 94 95 100 100 3.4-4.3 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 2.3-4.2 2.1/4587=73, 2.1/4586=69...(20) 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 3.5-6.4 3.0/4584=75, 3.1/4587=72...(17) HB2 ARG 54 + HB2 TYR 55 OK 100 100 100 100 4.3-6.1 3871/684=73, ~4634=70...(14) HG2 PRO 34 + HB2 TYR 55 OK 98 98 100 100 2.0-5.4 4859=90, 4246/2.5=77...(23) HB2 PRO 34 + HB2 TYR 55 OK 97 97 100 100 2.7-6.3 2.3/4859=70, ~4666=61...(18) HB2 LEU 62 - HB2 TYR 55 far 0 78 0 - 7.8-10.7 HB ILE 33 - HB2 TYR 55 far 0 100 0 - 8.0-10.0 HB3 LYS 39 - HB2 TYR 55 far 0 93 0 - 8.7-12.3 HB2 LYS 32 - HB2 TYR 55 far 0 100 0 - 8.9-12.2 HB3 LYS 32 - HB2 TYR 55 far 0 100 0 - 9.2-13.6 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 2.6-4.1 5149/1.8=84, 2.1/4584=80...(20) QD1 ILE 40 - HB2 TYR 55 far 0 68 0 - 7.1-8.6 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 2.0-4.3 5152=86, 4636/2.5=81...(21) QD1 ILE 33 - HB2 TYR 55 far 0 100 0 - 6.3-8.0 Violated in 0 structures by 0.00 A. Peak 4588 from cnoeabs.peaks (1.92, 2.94, 40.22 ppm; 5.15 A): 0 out of 1 assignment used, quality = 0.00: HG12 ILE 40 - HB3 TYR 55 far 0 87 0 - 9.5-11.6 Violated in 20 structures by 5.22 A. Peak 4589 from cnoeabs.peaks (1.76, 2.94, 40.22 ppm; 4.69 A): 4 out of 9 assignments used, quality = 1.00: HG2 PRO 34 + HB3 TYR 55 OK 100 100 100 100 2.0-4.4 4246/2.5=71, 4859/1.8=69...(24) HB2 ARG 54 + HB3 TYR 55 OK 90 100 90 100 5.5-7.3 ~4634=63, 3871/685=62...(13) HB2 PRO 34 + HB3 TYR 55 OK 88 89 100 100 2.4-5.1 ~4666=54, ~4859=48...(20) HB2 LEU 57 + HB3 TYR 55 OK 40 100 40 100 3.7-7.0 3.1/4590=66, 3.1/5149=65...(19) HB2 LEU 62 - HB3 TYR 55 far 0 90 0 - 7.9-11.6 HB2 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.1-10.9 HB3 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.2-12.3 HB ILE 33 - HB3 TYR 55 far 0 99 0 - 8.2-9.6 HB3 LYS 39 - HB3 TYR 55 far 0 83 0 - 9.3-13.3 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 2.4-3.9 4604=86, 4636/2.5=75...(25) QD1 ILE 33 - HB3 TYR 55 far 0 97 0 - 6.5-8.1 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 2.2-4.3 4246=100, 2.3/4666=87...(30) HB2 ARG 54 + QD TYR 55 OK 99 99 100 100 2.2-4.4 1.8/4634=100...(25) HB2 PRO 34 + QD TYR 55 OK 81 81 100 100 2.0-3.5 1.8/4666=93, 2.3/4246=84...(30) HB2 LEU 57 + QD TYR 55 OK 25 99 25 100 5.2-7.8 3.1/4636=84, ~4584=49...(18) HB3 LYS 39 - QD TYR 55 far 0 73 0 - 7.2-10.4 HB ILE 33 - QD TYR 55 far 0 97 0 - 7.5-9.0 HB2 LYS 32 - QD TYR 55 far 0 92 0 - 8.2-10.5 HB3 LYS 32 - QD TYR 55 far 0 92 0 - 8.3-11.1 HB2 LEU 62 - QD TYR 55 far 0 96 0 - 8.8-11.5 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 3.5-4.4 4.8=71, 684/4.8=50...(16) HB2 TYR 55 + HD3 PRO 56 OK 100 100 100 100 4.6-5.1 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 8 assignments used, quality = 1.00: HB3 TYR 55 + HD2 PRO 56 OK 99 100 100 99 1.9-3.1 4.8=54, 685/4.8=39...(16) HB3 TYR 55 + HD3 PRO 56 OK 99 100 100 99 3.4-4.3 4.8=54, 685/4.8=39...(16) HB3 PHE 35 - HD2 PRO 56 far 0 65 0 - 6.8-10.0 HE2 LYS 32 - HD2 PRO 56 far 0 90 0 - 8.0-14.4 HB3 PHE 35 - HD3 PRO 56 far 0 65 0 - 8.1-11.1 HE3 LYS 32 - HD2 PRO 56 far 0 89 0 - 8.3-14.9 HE2 LYS 32 - HD3 PRO 56 far 0 90 0 - 9.3-15.6 HE3 LYS 32 - HD3 PRO 56 far 0 89 0 - 9.5-16.6 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 4 assignments used, quality = 0.86: QD2 LEU 62 + HB2 LEU 57 OK 63 63 100 100 3.0-5.4 2.1/4982=63, 4599/1.8=62...(15) QD1 LEU 62 + HB2 LEU 57 OK 62 63 100 99 2.0-5.0 2.1/4982=63, ~4599=52...(16) HG LEU 51 - HB2 LEU 57 far 0 97 0 - 6.4-9.6 QG2 ILE 40 - HB2 LEU 57 far 0 63 0 - 8.3-9.7 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 2.6-5.9 2.1/4983=60, 4597/691=57...(18) HG LEU 51 - HB3 LEU 57 far 0 71 0 - 7.3-9.6 QG2 ILE 40 - HB3 LEU 57 far 0 95 0 - 8.3-9.5 HG12 ILE 68 - HB3 LEU 57 far 0 100 0 - 9.4-13.2 Violated in 12 structures by 0.38 A. Peak 4600 from cnoeabs.peaks (2.51, 1.77, 44.00 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.83: HB2 GLN 61 + HB2 LEU 57 OK 83 83 100 100 3.1-5.0 4601/1.8=78, 4602/3.1=60...(21) HG3 MET 31 - HB2 LEU 57 far 0 87 0 - 8.6-12.6 Violated in 2 structures by 0.01 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 2.0-3.4 4661=86, 4600/1.8=71...(21) HG3 MET 31 - HB3 LEU 57 far 0 99 0 - 6.9-11.1 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 2.1-4.2 1.8/4985=86, 4601/3.1=59...(23) HG3 MET 31 - QD2 LEU 57 far 0 100 0 - 6.2-8.9 Violated in 0 structures by 0.00 A. Peak 4603 from cnoeabs.peaks (2.72, 0.71, 23.03 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + QD2 LEU 57 OK 100 100 100 100 1.9-3.3 1.8/4605=69, 4231=49...(17) 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 5 assignments used, quality = 0.99: HB3 TYR 55 + QD2 LEU 57 OK 99 99 100 100 2.4-3.9 4590=91, 2.5/4636=81...(24) HE2 LYS 32 - QD2 LEU 57 far 5 99 5 - 4.8-10.2 HE3 LYS 32 - QD2 LEU 57 far 5 99 5 - 5.6-10.6 HE2 LYS 39 - QD2 LEU 57 far 0 57 0 - 6.3-10.9 HE3 LYS 13 - QD2 LEU 57 far 0 85 0 - 9.9-22.4 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 2.0-3.1 1.8/4603=84...(18) HD3 PRO 36 - QD2 LEU 57 far 0 71 0 - 7.6-9.0 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 2.9-4.6 3.2/4612=66...(20) HA LEU 51 - QD2 LEU 57 far 0 100 0 - 6.4-8.2 HD2 PRO 36 - QD2 LEU 57 far 0 89 0 - 7.6-9.3 Violated in 1 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 1.9-2.8 4551=98, 2287/4554=69...(17) 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 2.7-4.0 6069=100, 4998/4707=43...(24) HA THR 37 - QD1 LEU 57 far 0 96 0 - 7.2-9.3 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 4.6-5.6 3.0/4601=86, 3.6/4619=67...(20) HA LEU 62 + HB3 LEU 57 OK 81 81 100 100 3.1-4.9 4981/1.8=86, 6069/3.1=75...(19) HA ALA 28 - HB3 LEU 57 far 0 95 0 - 9.0-10.6 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 2.4-4.0 4725=49, 4727/4612=47...(29) QG1 VAL 65 + QD2 LEU 57 OK 95 96 100 99 3.6-5.3 4729=47, 2.1/4725=44...(22) HG13 ILE 33 + QD2 LEU 57 OK 54 100 55 98 4.4-6.8 3.2/4612=56, 3.9/4606=45...(20) HG LEU 52 - QD2 LEU 57 far 7 71 10 - 5.1-7.3 HG13 ILE 40 - QD2 LEU 57 far 0 97 0 - 5.9-7.4 QG2 THR 15 - QD2 LEU 57 far 0 60 0 - 7.3-17.5 HG2 ARG 69 - QD2 LEU 57 far 0 83 0 - 9.7-12.7 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 2.5-4.1 4215/4603=57...(27) 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 1.8-2.7 4554=81, 2287/4551=47...(21) Violated in 0 structures by 0.00 A. Peak 4614 from cnoeabs.peaks (0.30, 1.00, 27.02 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 33 + QD1 LEU 57 OK 99 99 100 100 3.6-5.0 4612/2.1=92, 3.2/4221=56...(15) 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 1.9-4.1 4.6/4985=59, 4.6/4602=55...(27) QE TYR 55 + QD2 LEU 57 OK 90 90 100 100 4.9-6.1 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 2.0-3.8 4688/2.1=60, 4579=51...(27) HZ PHE 35 + QD2 LEU 57 OK 100 100 100 100 2.3-4.2 4591/2.1=67, 2.2/4579=41...(25) HZ PHE 48 - QD2 LEU 57 far 0 100 0 - 6.4-9.0 Violated in 0 structures by 0.00 A. Peak 4617 from cnoeabs.peaks (6.94, 1.00, 27.02 ppm; 3.74 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 57 OK 100 100 100 100 1.9-3.8 2.2/4591=58, 4688/2.1=53...(26) HZ PHE 35 + QD1 LEU 57 OK 100 100 100 100 1.9-3.3 4591=85, 2.2/4577=34...(26) HZ PHE 48 - QD1 LEU 57 poor 16 100 25 63 4.8-6.8 4618/4554=25...(8) Violated in 0 structures by 0.00 A. Peak 4618 from cnoeabs.peaks (8.83, 1.77, 44.00 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: H LEU 62 + HB2 LEU 57 OK 100 100 100 100 3.7-5.7 4619/1.8=79, 3.0/4981=75...(17) Violated in 2 structures by 0.02 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 3.1-4.2 4618/1.8=84, 5368/228=73...(20) 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 2.3-4.6 4658=99, 4648/2478=71...(13) H TYR 55 - QG2 THR 58 far 0 93 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 4626 from cnoeabs.peaks (2.09, 1.31, 21.61 ppm; 4.71 A): 3 out of 5 assignments used, quality = 0.96: HB3 GLU 59 + QG2 THR 58 OK 81 100 85 95 5.1-6.6 4.0/235=65, 4.6/4643=40...(8) HB2 GLU 59 + QG2 THR 58 OK 76 100 80 95 4.8-6.7 4.0/235=65, 4.6/4643=40...(8) HB3 MET 31 + QG2 THR 58 OK 21 81 50 51 5.2-9.0 5910/5755=31...(8) HB2 PRO 56 - QG2 THR 58 lone 1 100 60 1 4.0-7.3 HG3 PRO 56 - QG2 THR 58 lone 1 100 50 1 5.6-7.3 Violated in 18 structures by 0.09 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 2.2-4.7 4625/2478=76...(11) HG3 MET 31 - QG2 THR 58 far 5 96 5 - 5.3-10.5 Violated in 2 structures by 0.01 A. Peak 4628 from cnoeabs.peaks (2.10, 4.43, 60.59 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.97: HB3 GLU 59 + HA THR 58 OK 84 95 100 89 4.5-5.9 4.0/233=67, 3.0/4631=46...(4) HB2 GLU 59 + HA THR 58 OK 84 95 100 89 4.4-5.8 4.0/233=67, 3.0/4631=46...(4) HB2 PRO 56 - HA THR 58 far 0 90 0 - 6.1-8.1 HG3 PRO 56 - HA THR 58 far 0 93 0 - 7.7-9.5 Violated in 5 structures by 0.01 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...(8) 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: HB3 SER 60 + QG2 THR 58 OK 86 100 100 86 4.2-6.4 4.4/4658=64, 3.8/4643=58...(4) HB2 SER 60 + QG2 THR 58 OK 86 100 100 86 3.0-5.6 4.4/4658=64, 3.8/4643=58...(4) 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 2 assignments used, quality = 0.99: HB2 LEU 62 + HA GLU 59 OK 99 100 100 99 2.2-3.2 4678=62, 3.1/4639=55...(9) HB2 LEU 57 - HA GLU 59 far 0 76 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (1.58, 4.04, 60.18 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 62 + HA GLU 59 OK 99 100 100 99 3.1-4.3 1.8/4637=76, 5366=59...(8) HG LEU 62 + HA GLU 59 OK 39 87 45 99 2.9-5.7 2.1/4639=72, 2.1/5364=65...(9) HG LEU 86 - HA GLU 59 far 0 93 0 - 8.8-49.1 HB3 LEU 86 - HA GLU 59 far 0 81 0 - 9.8-48.1 Violated in 6 structures by 0.05 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 2.6-3.4 5365=87, 2.1/5364=62...(11) QD1 LEU 86 - HA GLU 59 far 0 89 0 - 7.1-42.2 QD2 LEU 64 - HA GLU 59 far 0 65 0 - 7.5-9.3 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 5 assignments used, quality = 0.98: QD1 LEU 62 + HG2 GLU 59 OK 98 100 100 98 3.2-6.7 5365/4.2=87, 4640/703=62...(6) QD1 LEU 86 - HG2 GLU 59 far 4 89 5 - 5.3-42.7 HG LEU 51 - HG2 GLU 50 far 2 44 5 - 5.5-9.3 QD2 LEU 64 - HG2 GLU 59 far 0 65 0 - 8.3-11.6 QD1 LEU 62 - HG2 GLU 50 far 0 62 0 - 9.1-12.7 Violated in 6 structures by 0.16 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 99 3.3-3.9 2571/4637=59...(8) 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 = 0.98: H ALA 63 + HA SER 60 OK 98 99 100 99 3.6-4.0 726/4995=78, 4690=67...(9) 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 + HB2 SER 60 OK 85 100 100 85 2.0-4.6 5078=49, 5078/1.8=45...(6) QE MET 31 + HB3 SER 60 OK 85 100 100 85 2.0-4.9 5078/1.8=47, 5078=47...(6) HB2 LEU 64 - HB2 SER 60 far 14 95 15 - 5.1-7.9 HB2 LEU 64 - HB3 SER 60 far 5 95 5 - 5.2-8.0 HG2 ARG 66 - HB3 SER 60 far 0 68 0 - 9.5-12.5 HG2 ARG 66 - HB2 SER 60 far 0 68 0 - 9.7-12.2 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 2.0-4.2 4625/3.0=84, 4654/3.0=84...(12) 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 1.9-3.4 4625=98, 4624/1.8=83...(16) 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 2.0-4.1 4624=96, 4625/1.8=93...(13) 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: QG1 VAL 65 + HA GLN 61 OK 99 99 100 100 5.6-6.4 4723/4.7=84, 4.0/5758=77...(16) HG13 ILE 33 + HA GLN 61 OK 99 99 100 99 4.6-7.2 2.1/4503=53, ~4663=40...(16) QG2 VAL 65 + HA GLN 61 OK 94 95 100 100 3.2-5.8 4.0/5758=77, 4722/4.7=72...(18) QG1 VAL 65 - HA GLU 50 far 0 95 0 - 8.0-9.4 QG2 VAL 65 - HA GLU 50 far 0 89 0 - 8.7-10.9 HG13 ILE 40 - HA GLN 61 far 0 99 0 - 8.8-11.1 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 2.0-3.4 4601=93, 228/4625=65...(21) QB ALA 63 - HB2 GLN 61 poor 12 68 30 57 5.9-6.5 5787/248=35, 4657/711=20...(4) HG12 ILE 33 - HB2 GLN 61 far 9 90 10 - 5.0-8.2 QB ALA 30 - HB2 GLN 61 far 0 92 0 - 8.0-10.6 HB3 LEU 52 - HB2 GLN 61 far 0 95 0 - 8.5-10.8 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 2.3-5.4 4224/3.0=67, 4225=48...(22) QD2 LEU 57 + HB2 GLN 61 OK 97 97 100 100 2.1-4.2 4602=77, 4985/1.8=74...(23) 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 98 99 100 99 2.0-4.7 4224/3.0=59, 4225/1.8=36...(21) QD2 LEU 57 + HB3 GLN 61 OK 97 97 100 100 2.0-4.1 4985=76, 4602/1.8=57...(24) Violated in 0 structures by 0.00 A. Peak 4664 from cnoeabs.peaks (1.30, 2.60, 34.98 ppm; 5.39 A): 2 out of 3 assignments used, quality = 0.97: QG2 THR 58 + HG2 GLN 61 OK 96 96 100 100 1.9-4.1 5230=96, 4627/3.0=79...(11) HG2 LYS 32 + HG2 GLN 61 OK 38 89 55 78 5.7-8.5 ~6065=23, 5767/1.8=16...(10) HG3 LYS 32 - HG2 GLN 61 poor 20 63 40 79 5.0-9.8 ~6065=23, 5767/1.8=19...(10) Violated in 0 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 2.8-5.4 4224/1.8=92, 4213/3.5=56...(20) QD2 LEU 57 + HG2 GLN 61 OK 97 97 100 100 3.4-5.6 4985/3.0=68, 4602/3.0=62...(24) 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 95 96 100 100 2.1-4.9 4224=86, 4213/3.5=51...(20) QD2 LEU 57 + HG3 GLN 61 OK 90 90 100 100 3.7-5.7 4985/3.0=59, 4602/3.0=54...(21) 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 3.1-4.2 736/4998=67...(12) Violated in 0 structures by 0.00 A. Peak 4675 from cnoeabs.peaks (8.60, 3.92, 57.93 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.97: H ARG 66 + HA LEU 62 OK 97 97 100 99 3.5-4.7 273/4998=74, 271/4674=67...(6) Violated in 0 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (4.06, 3.92, 57.93 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 63 + HA LEU 62 OK 99 100 100 99 4.7-4.9 5796/4674=38...(17) HA GLU 59 + HA LEU 62 OK 79 93 85 99 5.1-5.8 4637/3.0=65...(7) Violated in 20 structures by 0.33 A. Peak 4678 from cnoeabs.peaks (4.04, 1.75, 41.88 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 59 + HB2 LEU 62 OK 100 100 100 100 2.2-3.2 4637=100, 4639/3.1=55...(9) HA ALA 63 + HB2 LEU 62 OK 60 87 70 98 4.3-5.4 3.0/3907=62, 5366/1.8=27...(19) 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 4.2-5.2 5364=99, 4639/2.1=90...(10) HA ALA 63 + QD2 LEU 62 OK 83 83 100 100 3.6-5.8 3.0/3910=58, ~260=40...(25) HA PHE 48 - QD2 LEU 62 far 0 95 0 - 7.2-9.5 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 = 0.99: QD1 LEU 52 + QD2 LEU 62 OK 99 100 100 99 1.8-3.4 2.1/5237=69, 3.1/5004=49...(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 4.7-5.4 732/263=70, 269/5785=45...(13) QD2 LEU 86 - QB ALA 63 far 10 100 10 - 4.9-34.1 QG2 ILE 68 - QB ALA 63 far 0 76 0 - 8.2-8.7 QD1 ILE 89 - QB ALA 63 far 0 81 0 - 8.9-37.8 QG2 ILE 89 - QB ALA 63 far 0 97 0 - 9.3-37.7 Violated in 19 structures by 0.26 A. Peak 4682 from cnoeabs.peaks (0.93, 1.49, 17.50 ppm; 6.10 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 62 + QB ALA 63 OK 100 100 100 100 4.4-5.6 3910/726=93, 722/5787=77...(23) QD1 LEU 64 + QB ALA 63 OK 65 65 100 100 4.8-5.6 2.1/4681=97, 4.4/263=92...(11) HG12 ILE 68 - QB ALA 63 far 15 99 15 - 6.9-9.1 QG2 ILE 40 - QB ALA 63 far 5 100 5 - 7.5-9.2 QG1 VAL 76 - QB ALA 63 far 0 99 0 - 9.1-16.8 QG2 VAL 41 - QB ALA 63 far 0 99 0 - 9.3-10.9 QG2 VAL 76 - QB ALA 63 far 0 99 0 - 9.5-17.1 Violated in 0 structures by 0.00 A. Peak 4683 from cnoeabs.peaks (1.70, 4.06, 55.02 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: HG3 ARG 66 + HA ALA 63 OK 99 99 100 100 2.2-4.9 2.8/4684=82, 2.8/5369=76...(13) HB3 LEU 64 + HA ALA 63 OK 69 99 70 99 5.8-6.5 730/3.6=80, 3916/5796=50...(11) HB2 ARG 82 - HA ALA 63 far 0 98 0 - 7.0-37.1 HG2 ARG 70 - HA ALA 63 far 0 100 0 - 7.7-10.4 HB3 LYS 83 - HA ALA 63 far 0 93 0 - 9.3-36.7 HB3 LYS 85 - HA ALA 63 far 0 85 0 - 9.8-38.9 Violated in 0 structures by 0.00 A. Peak 4684 from cnoeabs.peaks (1.93, 4.06, 55.02 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.92: HB3 ARG 66 + HA ALA 63 OK 92 93 100 99 3.2-4.7 1.8/5369=65, 5372=46...(11) HG13 ILE 68 - HA ALA 63 far 0 100 0 - 7.5-9.7 HB3 ARG 70 - HA ALA 63 far 0 65 0 - 7.7-11.5 HB2 ARG 70 - HA ALA 63 far 0 65 0 - 8.3-11.7 HB2 MET 31 - HA ALA 63 far 0 99 0 - 9.0-11.1 HG LEU 57 - HA ALA 63 far 0 65 0 - 10.0-11.5 Violated in 5 structures by 0.08 A. Peak 4686 from cnoeabs.peaks (3.17, 4.06, 55.02 ppm; 4.48 A): 2 out of 8 assignments used, quality = 0.82: HD2 ARG 66 + HA ALA 63 OK 59 85 70 99 2.4-6.7 3.4/4684=66, 3.4/5369=60...(12) HD3 ARG 66 + HA ALA 63 OK 57 89 65 99 2.1-6.9 3.4/4684=66, 3.4/5369=60...(12) HD2 ARG 82 - HA ALA 63 far 4 78 5 - 5.1-36.8 HD3 ARG 27 - HA ALA 63 far 0 100 0 - 8.0-13.2 HD3 ARG 84 - HA ALA 63 far 0 81 0 - 8.2-42.2 HD2 ARG 27 - HA ALA 63 far 0 100 0 - 8.4-12.3 HD2 ARG 71 - HA ALA 63 far 0 57 0 - 9.4-13.0 HD2 ARG 84 - HA ALA 63 far 0 76 0 - 9.6-42.1 Violated in 14 structures by 0.48 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 99 4.6-5.2 3.0/4995=92, ~4647=45...(7) HB2 SER 60 + QB ALA 63 OK 88 89 100 99 4.9-5.7 3.0/4995=92, ~4647=45...(7) HA LEU 52 - QB ALA 63 far 0 85 0 - 9.4-11.3 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 3.0-3.5 4995=100, 4647/726=42...(8) HA LEU 64 + QB ALA 63 OK 77 81 100 96 3.6-3.9 3.0/263=54, 4.9=33...(15) HA LEU 86 - QB ALA 63 far 0 81 0 - 8.2-38.6 HA THR 88 - QB ALA 63 far 0 100 0 - 9.1-41.8 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 3.7-4.2 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 3.1-3.6 4737=100, 749/4738=61...(12) H ARG 70 - HA LEU 64 far 0 85 0 - 7.2-8.4 H LYS 32 - HA LEU 64 far 0 99 0 - 9.3-11.6 H ILE 33 - HA LEU 64 far 0 63 0 - 9.3-10.9 H LEU 29 - HA LEU 64 far 0 87 0 - 9.4-10.7 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): 2 out of 6 assignments used, quality = 1.00: HA GLN 61 + HB2 LEU 64 OK 99 100 100 99 2.6-3.7 4687/2619=58, 5232=43...(21) HA ALA 28 + HB2 LEU 64 OK 69 100 70 99 4.6-6.9 4173/3.1=45, ~5162=42...(15) HA ARG 66 - HB2 LEU 64 far 0 92 0 - 7.6-8.4 HA THR 37 - HB2 LEU 64 far 0 68 0 - 7.9-11.0 HA LYS 32 - HB2 LEU 64 far 0 92 0 - 8.2-11.0 HA2 GLY 72 - HB2 LEU 64 far 0 100 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 4696 from cnoeabs.peaks (3.96, 1.70, 41.01 ppm; 4.69 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 61 + HB3 LEU 64 OK 97 98 100 99 4.1-5.1 4687/730=68, 4695/1.8=50...(15) HA ALA 28 + HB3 LEU 64 OK 89 100 90 99 4.7-6.7 4173/3.1=49, ~5162=48...(14) HA ARG 66 - HB3 LEU 64 far 0 81 0 - 8.1-8.6 HA THR 37 - HB3 LEU 64 far 0 83 0 - 8.6-10.7 HA LYS 32 - HB3 LEU 64 far 0 81 0 - 8.9-11.4 HA2 GLY 72 - HB3 LEU 64 far 0 99 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 4700 from cnoeabs.peaks (1.22, 1.97, 41.01 ppm; 4.86 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 65 + HB2 LEU 64 OK 97 97 100 100 3.2-5.8 2669/3915=73...(21) HG13 ILE 33 + HB2 LEU 64 OK 89 100 90 99 4.6-7.0 2.1/5025=59, ~6122=56...(14) QG1 VAL 65 + HB2 LEU 64 OK 87 97 90 100 5.3-6.5 2664/3915=69, ~5032=34...(21) HG13 ILE 40 - HB2 LEU 64 far 0 98 0 - 8.3-10.4 Violated in 4 structures by 0.02 A. Peak 4703 from cnoeabs.peaks (3.65, 0.83, 26.57 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.99: HA ILE 40 + QD1 LEU 43 OK 95 96 100 99 2.1-4.8 5125/2.1=60, 4372/624=51...(15) HD3 PRO 44 + QD1 LEU 43 OK 73 73 100 100 3.8-5.1 4388/2.1=73, 4374/4.1=60...(20) HD3 PRO 14 - QD1 LEU 43 far 3 63 5 - 5.3-26.1 HA ARG 69 - QD1 LEU 43 far 0 90 0 - 7.1-9.6 HA VAL 65 - QD1 LEU 43 far 0 93 0 - 7.7-9.7 Violated in 1 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (1.90, 3.63, 67.03 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 68 + HA VAL 65 OK 99 100 100 99 2.7-4.4 3.2/4761=50, 4750=39...(24) HG13 ILE 68 + HA VAL 65 OK 66 71 95 97 2.0-5.2 2.1/4761=64, 4.5/5313=32...(19) HG12 ILE 40 - HA VAL 65 poor 20 99 20 - 5.0-6.8 HB2 ARG 66 - HA VAL 65 far 0 76 0 - 5.9-6.6 HB3 PRO 34 - HA VAL 65 far 0 71 0 - 9.4-11.5 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 7 assignments used, quality = 1.00: QG2 ILE 40 + HA VAL 65 OK 99 100 100 99 3.1-4.4 1942/5033=59...(31) QD1 LEU 64 + HA VAL 65 OK 80 81 100 99 2.8-5.1 2.1/5032=47, 3919/3.0=39...(28) HG12 ILE 68 + HA VAL 65 OK 80 95 85 99 2.5-5.7 2.1/4761=74, 2.9/4704=40...(16) QD2 LEU 62 - HA VAL 65 poor 20 100 20 - 5.2-7.8 QG2 VAL 41 - HA VAL 65 far 0 100 0 - 5.7-7.4 QG2 VAL 76 - HA VAL 65 far 0 95 0 - 8.4-16.2 QG1 VAL 76 - HA VAL 65 far 0 95 0 - 9.8-16.6 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 99 2.0-3.9 4761=81, 5247/5033=39...(22) QG2 ILE 68 + HA VAL 65 OK 84 85 100 98 3.9-5.1 2.9/4761=51, 2.1/4704=39...(21) QG1 VAL 41 - HA VAL 65 far 0 99 0 - 7.9-9.7 Violated in 2 structures by 0.01 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 2.9-4.5 6069/4998=69, 5956=60...(14) 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 7 assignments used, quality = 0.90: QD2 LEU 62 + HB VAL 65 OK 69 71 100 97 2.6-5.3 4.0/4998=61, 5034/2.1=33...(12) QG2 ILE 40 + HB VAL 65 OK 66 71 95 98 4.2-5.9 3.0/4304=42, 5034/2.1=38...(24) HG12 ILE 68 - HB VAL 65 far 9 90 10 - 5.1-8.3 HG LEU 51 - HB VAL 65 far 0 95 0 - 7.7-9.5 QD1 LEU 29 - HG3 MET 11 far 0 71 0 - 8.0-26.7 QD1 LEU 86 - HB VAL 65 far 0 89 0 - 8.9-37.8 QG1 VAL 76 - HB VAL 65 far 0 90 0 - 9.7-18.1 Violated in 3 structures by 0.03 A. Peak 4710 from cnoeabs.peaks (7.97, 3.63, 67.03 ppm; 4.72 A): 1 out of 8 assignments used, quality = 0.93: H ARG 69 + HA VAL 65 OK 93 95 100 98 4.4-5.6 288/5313=64, 294/4761=39...(13) H ALA 63 - HA VAL 65 far 0 99 0 - 6.4-7.0 H ARG 70 - HA VAL 65 far 0 89 0 - 6.6-7.7 H GLY 72 - HA VAL 65 far 0 81 0 - 7.6-8.9 H LEU 29 - HA VAL 65 far 0 87 0 - 8.6-9.9 H LYS 73 - HA VAL 65 far 0 65 0 - 8.9-10.9 H LYS 32 - HA VAL 65 far 0 60 0 - 9.1-10.8 H ALA 30 - HA VAL 65 far 0 95 0 - 10.0-11.3 Violated in 14 structures by 0.26 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 2.8-6.1 ~4718=67, ~4716=50...(16) QE PHE 35 + HB VAL 65 OK 97 97 100 100 4.1-5.3 4581/4955=52, ~5031=50...(17) HZ PHE 35 + HB VAL 65 OK 96 98 100 98 3.9-5.4 4591/4707=51, 4689=45...(12) 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 4.9-6.0 937/4.1=75, 3.6/5244=72...(19) H LYS 32 - QG2 VAL 65 far 5 100 5 - 6.6-9.0 H ARG 70 - QG2 VAL 65 far 0 99 0 - 7.0-8.6 H LEU 29 - QG2 VAL 65 far 0 99 0 - 7.5-9.3 Violated in 15 structures by 0.34 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 99 3.6-5.4 4.6/2669=68, 4698/2.1=51...(12) H LYS 39 - QG2 VAL 65 far 10 100 10 - 6.1-9.7 Violated in 12 structures by 0.23 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 2.4-4.7 4540/4726=73...(25) Violated in 0 structures by 0.00 A. Peak 4717 from cnoeabs.peaks (6.95, 1.21, 23.08 ppm; 3.44 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + QG2 VAL 65 OK 99 100 100 99 1.9-3.6 4576=44, 4581/4726=39...(33) HZ PHE 35 + QG2 VAL 65 OK 95 100 100 95 1.9-4.0 2.2/4576=32, 4590=27...(25) HZ PHE 48 + QG2 VAL 65 OK 89 100 95 94 3.0-5.6 ~4718=34, 2.2/4716=30...(21) HD22 ASN 42 - QG2 VAL 65 far 0 97 0 - 9.8-13.2 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 1.9-3.1 4540/4728=41...(28) Violated in 0 structures by 0.00 A. Peak 4719 from cnoeabs.peaks (6.95, 1.23, 22.65 ppm; 3.13 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QG1 VAL 65 OK 92 100 100 92 1.9-3.0 2.2/4718=50, 4615=20...(24) QE PHE 35 + QG1 VAL 65 OK 90 99 95 96 1.9-4.8 4581/4728=32...(27) HZ PHE 35 + QG1 VAL 65 OK 88 99 100 89 1.9-4.4 4534/5031=21, 4590=19...(21) 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 4 assignments used, quality = 0.98: HA LEU 62 + HB VAL 65 OK 98 98 100 100 2.1-3.3 4998=98, 4723/2.1=68...(14) HA ALA 28 - HB VAL 65 far 0 71 0 - 6.7-8.9 HA THR 37 - HB VAL 65 far 0 100 0 - 6.9-8.8 HA ALA 28 - HG3 MET 11 far 0 71 0 - 9.7-34.9 Violated in 0 structures by 0.00 A. Peak 4722 from cnoeabs.peaks (3.93, 1.21, 23.08 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 62 + QG2 VAL 65 OK 96 98 100 98 2.0-4.1 4998/2.1=59, 4999=49...(18) HA THR 37 - QG2 VAL 65 poor 16 100 25 65 4.1-7.0 5597/4727=23...(10) HA ALA 28 - QG2 VAL 65 far 7 71 10 - 4.8-6.5 Violated in 12 structures by 0.22 A. Peak 4723 from cnoeabs.peaks (3.93, 1.23, 22.65 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: HA LEU 62 + QG1 VAL 65 OK 97 97 100 99 2.2-4.3 4721/2.1=70, 4999=43...(18) HA THR 37 - QG1 VAL 65 far 15 100 15 - 5.0-7.6 HA ALA 28 - QG1 VAL 65 far 0 73 0 - 6.6-8.3 HA2 GLY 72 - QG1 VAL 65 far 0 60 0 - 8.0-10.3 Violated in 3 structures by 0.03 A. Peak 4724 from cnoeabs.peaks (0.96, 1.21, 23.08 ppm; 3.65 A): 3 out of 6 assignments used, quality = 0.94: QD1 LEU 64 + QG2 VAL 65 OK 67 100 70 95 3.0-5.7 3919/2669=37...(23) QG2 ILE 40 + QG2 VAL 65 OK 63 65 100 96 2.5-4.9 ~4304=19, ~5033=19...(37) QD2 LEU 62 + QG2 VAL 65 OK 53 65 85 96 3.3-5.7 4.0/4722=38, 2.1/5006=31...(22) QG2 VAL 41 - QG2 VAL 65 far 0 78 0 - 5.9-7.7 QD2 LEU 43 - QG2 VAL 65 far 0 96 0 - 7.4-10.1 QG1 VAL 45 - QG2 VAL 65 far 0 60 0 - 9.4-11.2 Violated in 4 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 97 100 100 97 1.8-3.4 1682/4727=47, 1684=39...(27) QD2 LEU 57 + QG2 VAL 65 OK 97 100 100 97 2.4-4.0 4612/4727=30...(27) 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 1.8-3.6 2.1/5315=44, 2290=39...(23) 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 = 0.95: QG2 ILE 33 + QG2 VAL 65 OK 95 100 100 95 2.2-3.1 1663=33, 1682/4725=28...(22) Violated in 0 structures by 0.00 A. Peak 4728 from cnoeabs.peaks (0.50, 1.23, 22.65 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 52 + QG1 VAL 65 OK 95 96 100 99 1.8-3.0 2.1/5314=53...(20) 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 = 0.99: QD1 ILE 33 + QG1 VAL 65 OK 93 97 100 96 3.5-5.1 1684/2.1=35...(25) QD2 LEU 57 + QG1 VAL 65 OK 92 99 95 97 3.6-5.3 5751/4728=35, ~4707=33...(22) Violated in 10 structures by 0.13 A. Peak 4730 from cnoeabs.peaks (1.97, 1.23, 22.65 ppm; 4.87 A): 3 out of 9 assignments used, quality = 1.00: HG LEU 57 + QG1 VAL 65 OK 92 93 100 99 5.2-6.1 ~4707=54, 2.1/4729=47...(11) HB2 LEU 64 + QG1 VAL 65 OK 90 100 90 100 5.3-6.5 3915/2664=71, ~5032=34...(21) HB3 ARG 66 + QG1 VAL 65 OK 63 65 100 96 2.7-5.3 742/4.1=49, ~5244=48...(11) QE MET 31 - QG1 VAL 65 poor 20 81 35 70 5.7-7.4 266/2664=20...(12) HB3 ARG 70 - QG1 VAL 65 far 0 93 0 - 6.6-9.2 HB2 ARG 70 - QG1 VAL 65 far 0 93 0 - 6.8-9.7 HB3 GLN 79 - QG1 VAL 65 far 0 68 0 - 7.7-20.5 HG LEU 43 - QG1 VAL 65 far 0 83 0 - 7.8-10.5 HB2 GLN 79 - QG1 VAL 65 far 0 100 0 - 9.1-20.1 Violated in 0 structures by 0.00 A. Peak 4731 from cnoeabs.peaks (1.75, 1.21, 23.08 ppm; 5.60 A): 5 out of 12 assignments used, quality = 1.00: HB2 LEU 62 + QG2 VAL 65 OK 100 100 100 100 4.5-6.5 3.0/4722=84, ~4998=70...(18) HB2 LEU 57 + QG2 VAL 65 OK 90 90 100 100 4.1-5.9 ~4707=58, 4981/4722=57...(18) HG2 PRO 34 + QG2 VAL 65 OK 88 98 100 90 4.3-6.3 4242/4562=38...(11) HB ILE 33 + QG2 VAL 65 OK 87 87 100 100 4.2-5.7 2.1/4727=100...(17) HB2 PRO 34 + QG2 VAL 65 OK 35 60 85 68 6.1-7.6 4.0/4249=32...(8) HB2 LYS 32 - QG2 VAL 65 far 11 76 15 - 6.7-9.4 HB2 LEU 43 - QG2 VAL 65 far 7 68 10 - 6.9-9.6 HB3 LYS 32 - QG2 VAL 65 far 0 76 0 - 7.5-10.1 HB2 ARG 54 - QG2 VAL 65 far 0 92 0 - 7.5-10.6 HG3 ARG 71 - QG2 VAL 65 far 0 100 0 - 8.5-10.6 HB3 LYS 73 - QG2 VAL 65 far 0 65 0 - 8.8-12.6 HB3 ARG 17 - QG2 VAL 65 far 0 99 0 - 9.1-19.8 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 10 assignments used, quality = 1.00: HB3 ARG 69 + HA ARG 66 OK 100 100 100 100 2.8-5.8 4766=92, 1.8/5047=84...(13) HG3 ARG 69 + HA ARG 66 OK 67 85 80 99 3.4-6.3 3.0/5047=68, 3.0/4766=62...(11) QB ALA 78 - HA ARG 66 far 0 99 0 - 6.6-21.1 QB ALA 77 - HA ARG 66 far 0 83 0 - 7.0-17.7 HG3 LYS 73 - HA ARG 66 far 0 99 0 - 8.3-12.9 HG3 LYS 75 - HA ARG 66 far 0 99 0 - 9.1-18.2 HG2 LYS 75 - HA ARG 66 far 0 99 0 - 9.3-18.5 HG3 LYS 39 - HA ARG 66 far 0 98 0 - 9.5-13.2 QB ALA 20 - HA ARG 66 far 0 87 0 - 9.7-20.5 QB ALA 53 - HA ARG 66 far 0 100 0 - 9.8-11.9 Violated in 1 structures by 0.03 A. Peak 4734 from cnoeabs.peaks (1.21, 3.98, 60.19 ppm; 4.36 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + HA ARG 66 OK 100 100 100 100 4.6-5.4 5244=76, ~273=46...(18) QG1 VAL 65 + HA ARG 66 OK 84 85 100 100 2.8-3.6 2.1/5244=59, ~273=46...(22) HG2 ARG 69 + HA ARG 66 OK 51 65 80 98 3.6-6.7 3.0/5047=64, 3.0/4766=58...(11) HG13 ILE 40 - HA ARG 66 poor 17 87 20 - 5.3-7.9 HG LEU 52 - HA ARG 66 far 0 87 0 - 6.2-8.1 HG13 ILE 33 - HA ARG 66 far 0 99 0 - 8.1-11.6 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 2.0-4.0 4605=100, 2.2/6072=65...(16) QE PHE 35 - HA ARG 66 far 0 99 0 - 6.3-7.6 HZ PHE 35 - HA ARG 66 far 0 99 0 - 6.6-8.4 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 4 assignments used, quality = 0.99: HA LEU 64 + HB2 ASP 67 OK 99 99 100 100 2.1-3.4 5288=86, 5287/1.8=73...(6) HA ALA 77 - HB2 ASP 67 far 0 81 0 - 8.2-23.1 HA LYS 85 - HB2 ASP 67 far 0 71 0 - 8.2-39.5 HA SER 60 - HB2 ASP 67 far 0 73 0 - 8.3-10.1 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 4 assignments used, quality = 1.00: HA LEU 64 + HB3 ASP 67 OK 100 100 100 100 2.1-3.8 5288/1.8=85, 5287=73...(6) HA ALA 77 - HB3 ASP 67 far 0 68 0 - 8.2-22.2 HA SER 60 - HB3 ASP 67 far 0 85 0 - 9.2-11.1 HA LYS 75 - HB3 ASP 67 far 0 92 0 - 9.9-16.7 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 6 assignments used, quality = 0.98: HB3 ARG 70 + HA ASP 67 OK 76 100 85 90 2.0-5.6 2.9/5049=37, 4.1/4792=33...(17) HB3 ARG 66 + HA ASP 67 OK 73 99 85 87 4.1-5.6 279/3.0=29, 5051=23...(17) HB2 ARG 70 + HA ASP 67 OK 63 100 70 90 2.5-5.8 2.9/5049=37, 4.1/4792=33...(17) HG13 ILE 68 - HA ASP 67 far 0 68 0 - 5.1-6.9 HB2 LEU 64 - HA ASP 67 far 0 78 0 - 7.4-8.3 HB2 GLN 79 - HA ASP 67 far 0 89 0 - 8.4-22.1 Violated in 11 structures by 0.07 A. Peak 4743 from cnoeabs.peaks (1.94, 2.90, 41.70 ppm; 4.86 A): 4 out of 5 assignments used, quality = 0.99: HB3 ARG 66 + HB2 ASP 67 OK 93 100 100 94 4.0-5.8 4.6/749=68, 742/5811=55...(7) HG13 ILE 68 + HB2 ASP 67 OK 86 95 95 96 4.2-6.4 2770/286=68, 5975/1.8=55...(6) HB3 ARG 70 + HB2 ASP 67 OK 27 87 35 89 4.7-8.2 ~5049=39, ~5052=37...(8) HB2 ARG 70 + HB2 ASP 67 OK 23 87 30 89 5.1-8.4 ~5049=39, ~5052=37...(8) HB2 MET 31 - HB2 ASP 67 far 0 100 0 - 9.0-11.4 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 98 3.7-5.6 5020/1.8=83...(5) QG2 ILE 40 - HB2 ASP 67 far 0 57 0 - 6.1-8.3 QD2 LEU 62 - HB2 ASP 67 far 0 57 0 - 7.0-8.5 QG2 VAL 41 - HB2 ASP 67 far 0 71 0 - 7.8-9.3 Violated in 13 structures by 0.31 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 96 100 100 96 3.0-5.5 2770/287=69, 5975=44...(7) HB3 ARG 66 + HB3 ASP 67 OK 64 89 80 90 5.1-7.0 4.6/750=63, 4.0/5813=44...(7) HB ILE 68 + HB3 ASP 67 OK 57 63 100 91 4.7-5.6 3.9/287=69, 2.9/5975=39...(6) HB2 MET 31 - HB3 ASP 67 far 0 97 0 - 8.3-10.4 HG12 ILE 40 - HB3 ASP 67 far 0 83 0 - 9.3-11.3 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 = 0.96: QD1 LEU 64 + HB3 ASP 67 OK 86 87 100 99 3.0-4.7 5020=85, 2648/4739=59...(7) HG12 ILE 68 + HB3 ASP 67 OK 73 90 100 81 3.2-5.6 4.5/287=54, 1.8/5975=37...(5) QG2 ILE 40 - HB3 ASP 67 far 5 99 5 - 5.8-7.8 QG2 VAL 41 - HB3 ASP 67 far 0 100 0 - 6.7-8.4 QD2 LEU 62 - HB3 ASP 67 far 0 99 0 - 7.7-9.8 QG1 VAL 76 - HB3 ASP 67 far 0 90 0 - 8.4-15.2 QG2 VAL 76 - HB3 ASP 67 far 0 90 0 - 8.5-16.1 Violated in 0 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 = 0.91: HB2 ARG 69 + HA ILE 68 OK 91 97 100 94 5.5-5.8 760/3.6=74, ~4747=19...(11) HB3 LYS 75 - HA ILE 68 poor 20 100 20 - 5.2-15.7 HB3 LYS 73 - HA ILE 68 poor 19 93 20 - 5.6-9.9 HB ILE 33 - HA ILE 68 far 0 76 0 - 9.1-11.8 Violated in 20 structures by 0.98 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 100 100 100 100 3.9-6.1 ~5964=54, 3.2/4704=48...(27) HG13 ILE 40 + HB ILE 68 OK 78 78 100 100 4.0-6.1 2.1/5246=79, ~5249=67...(29) QG1 VAL 65 + HB ILE 68 OK 76 76 100 100 3.9-5.4 5964/2.1=59, 3.2/4704=48...(26) HG13 ILE 33 - HB ILE 68 poor 15 97 30 50 5.4-9.1 ~5376=29, 5168/2.9=10...(8) HG LEU 52 - HB ILE 68 far 0 93 0 - 8.2-10.6 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 2.7-4.4 4704=60, 4761/3.2=54...(24) HA ARG 69 + HB ILE 68 OK 97 99 100 98 4.1-4.6 2.9/290=45, 4767/2.1=36...(24) HA ILE 40 - HB ILE 68 far 5 100 5 - 5.4-7.4 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 VAL 65 + QG2 ILE 68 OK 100 100 100 100 3.9-5.1 4761/2.9=59...(22) HA ARG 69 + QG2 ILE 68 OK 99 100 100 99 3.1-3.9 4767=48, 2.9/291=40...(32) HA ILE 40 + QG2 ILE 68 OK 39 100 40 99 4.3-6.2 3.0/4753=52, 4.1/5249=48...(22) Violated in 0 structures by 0.00 A. Peak 4752 from cnoeabs.peaks (2.58, 0.81, 17.06 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.98: HB3 ASP 24 + QG2 ILE 68 OK 90 96 95 99 3.0-7.1 ~4760=55, 4160=50...(12) HB2 ASP 24 + QG2 ILE 68 OK 79 81 100 97 1.9-6.3 4760/2.9=55, 1.8/4160=49...(13) Violated in 1 structures by 0.05 A. Peak 4753 from cnoeabs.peaks (2.10, 0.81, 17.06 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.87: HB ILE 40 + QG2 ILE 68 OK 87 87 100 100 2.0-3.6 3.2/5249=70, 5042/2.9=46...(34) HB2 PRO 36 - QG2 ILE 68 far 0 85 0 - 6.0-7.3 HG2 PRO 36 - QG2 ILE 68 far 0 96 0 - 6.6-8.2 HG3 PRO 36 - QG2 ILE 68 far 0 97 0 - 6.9-9.3 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 98 2.3-3.7 2.1/4763=61, 4284=44...(23) HG LEU 52 - QG2 ILE 68 far 0 83 0 - 7.7-10.2 QG2 THR 15 - QG2 ILE 68 far 0 90 0 - 9.2-18.6 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 = 0.99: HG3 ARG 69 + QG2 ILE 68 OK 93 97 100 96 4.8-6.6 4.7/291=43, ~4748=41...(15) QB ALA 28 + QG2 ILE 68 OK 65 65 100 99 3.6-5.5 5302/2.9=59, ~5928=56...(16) HB3 ARG 69 + QG2 ILE 68 OK 59 60 100 99 3.8-5.8 ~4748=53, 4.0/291=49...(21) HG3 LYS 75 - QG2 ILE 68 poor 18 73 25 - 5.5-14.0 HG3 LYS 73 - QG2 ILE 68 poor 16 78 20 - 6.0-9.2 QB ALA 20 - QG2 ILE 68 far 14 96 15 - 3.3-12.0 HG2 LYS 75 - QG2 ILE 68 far 11 73 15 - 5.0-13.9 QB ALA 16 - QG2 ILE 68 far 0 99 0 - 7.0-15.9 QB ALA 77 - QG2 ILE 68 far 0 97 0 - 7.5-13.1 QB ALA 78 - QG2 ILE 68 far 0 78 0 - 8.1-16.3 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 = 0.97: HB2 ASP 24 + HG12 ILE 68 OK 93 98 95 100 2.3-7.6 4760/2.1=94, 5976/1.8=69...(10) HB3 ASP 24 + HG12 ILE 68 OK 55 73 75 99 3.0-9.3 ~4760=76, ~5976=56...(10) Violated in 5 structures by 0.17 A. Peak 4757 from cnoeabs.peaks (1.19, 0.78, 13.95 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.97: QG2 THR 37 + QD1 ILE 68 OK 91 92 100 99 2.1-5.0 4754/2.9=48, 4284=44...(24) QG2 VAL 65 + QD1 ILE 68 OK 63 68 100 92 3.0-4.9 3.2/4761=48, ~5964=24...(21) HG LEU 52 - QD1 ILE 68 far 0 98 0 - 7.6-10.3 QG2 THR 15 - QD1 ILE 68 far 0 100 0 - 7.7-18.8 Violated in 4 structures by 0.09 A. Peak 4758 from cnoeabs.peaks (1.34, 0.78, 13.95 ppm; 3.72 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 28 + QD1 ILE 68 OK 100 100 100 100 2.1-3.9 5302=99, 2.1/5928=37...(18) QB ALA 16 - QD1 ILE 68 far 0 83 0 - 6.5-15.5 HB2 LEU 52 - QD1 ILE 68 far 0 100 0 - 7.8-11.3 QG2 THR 58 - QD1 ILE 68 far 0 65 0 - 8.1-10.8 HG3 LYS 32 - QD1 ILE 68 far 0 97 0 - 8.8-11.3 HB2 LEU 51 - QD1 ILE 68 far 0 87 0 - 8.9-12.2 QB ALA 12 - QD1 ILE 68 far 0 99 0 - 9.5-24.9 Violated in 1 structures by 0.01 A. Peak 4759 from cnoeabs.peaks (1.55, 0.78, 13.95 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.97: HG LEU 64 + QD1 ILE 68 OK 97 98 100 99 1.9-4.0 5242=89, 3.0/5252=42...(14) HG3 ARG 23 - QD1 ILE 68 far 0 99 0 - 6.0-11.3 HG2 LYS 39 - QD1 ILE 68 far 0 100 0 - 6.5-10.9 HG LEU 62 - QD1 ILE 68 far 0 89 0 - 7.5-10.5 HB3 LEU 86 - QD1 ILE 68 far 0 93 0 - 8.0-35.6 Violated in 6 structures by 0.07 A. Peak 4760 from cnoeabs.peaks (2.56, 0.78, 13.95 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.92: HB2 ASP 24 + QD1 ILE 68 OK 92 100 95 97 2.2-6.8 5508/2.1=41, 5507=39...(18) HB2 GLN 61 - QD1 ILE 68 far 0 57 0 - 7.0-8.8 Violated in 11 structures by 0.39 A. Peak 4761 from cnoeabs.peaks (3.63, 0.78, 13.95 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.98: HA VAL 65 + QD1 ILE 68 OK 98 99 100 99 2.0-3.9 4706=52, 5033/5247=45...(22) HA ARG 69 - QD1 ILE 68 far 0 100 0 - 5.8-6.0 HA ILE 40 - QD1 ILE 68 far 0 98 0 - 5.8-7.8 HD3 PRO 14 - QD1 ILE 68 far 0 99 0 - 9.8-24.7 Violated in 1 structures by 0.01 A. Peak 4762 from cnoeabs.peaks (3.94, 0.81, 17.06 ppm; 4.34 A): 3 out of 10 assignments used, quality = 1.00: HA THR 37 + QG2 ILE 68 OK 99 99 100 100 2.1-4.1 3.2/4754=69...(25) HA2 GLY 72 + QG2 ILE 68 OK 79 81 100 98 2.1-4.7 1.8/4795=42, 3.0/5056=38...(25) HA ALA 28 + QG2 ILE 68 OK 31 90 35 97 5.2-7.7 5928/2.9=59, ~5302=44...(11) HA3 GLY 18 - QG2 ILE 68 far 0 95 0 - 6.5-17.8 HA2 GLY 18 - QG2 ILE 68 far 0 93 0 - 6.5-17.7 HA VAL 76 - QG2 ILE 68 far 0 68 0 - 6.7-13.5 HA3 GLY 21 - QG2 ILE 68 far 0 98 0 - 7.2-12.1 HA2 GLY 21 - QG2 ILE 68 far 0 97 0 - 7.9-13.3 HA LEU 62 - QG2 ILE 68 far 0 87 0 - 7.9-9.5 HA GLN 61 - QG2 ILE 68 far 0 76 0 - 8.3-10.0 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 8 assignments used, quality = 1.00: HB THR 37 + QG2 ILE 68 OK 100 100 100 100 1.9-3.7 2.1/4754=78...(22) HA LYS 39 - QG2 ILE 68 far 0 63 0 - 6.5-8.2 HA LYS 75 - QG2 ILE 68 far 0 78 0 - 6.8-12.8 HA ALA 77 - QG2 ILE 68 far 0 97 0 - 8.6-15.9 HA LYS 85 - QG2 ILE 68 far 0 99 0 - 9.3-29.3 HA ALA 78 - QG2 ILE 68 far 0 90 0 - 9.5-18.8 HA GLN 79 - QG2 ILE 68 far 0 71 0 - 9.7-17.6 HA THR 15 - QG2 ILE 68 far 0 73 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 4764 from cnoeabs.peaks (3.95, 0.78, 13.95 ppm; 4.89 A): 5 out of 12 assignments used, quality = 1.00: HA ALA 28 + QD1 ILE 68 OK 100 100 100 100 2.6-4.7 2.1/4758=95, 5928=65...(16) HA THR 37 + QD1 ILE 68 OK 87 87 100 100 2.5-5.6 4313/5247=75...(23) HA2 GLY 72 + QD1 ILE 68 OK 61 98 65 96 4.1-7.4 4797/2.9=37, ~4795=30...(18) HA ARG 66 + QD1 ILE 68 OK 39 76 85 61 5.4-6.7 5809/2777=24...(7) HA GLN 61 + QD1 ILE 68 OK 25 97 50 53 5.8-7.3 4695/5252=30...(3) HA LEU 62 - QD1 ILE 68 far 9 57 15 - 6.1-8.3 HA LYS 32 - QD1 ILE 68 far 0 76 0 - 7.3-9.7 HA3 GLY 21 - QD1 ILE 68 far 0 100 0 - 7.7-12.3 HA3 GLY 18 - QD1 ILE 68 far 0 71 0 - 7.9-17.4 HA2 GLY 18 - QD1 ILE 68 far 0 68 0 - 8.4-17.7 HA2 GLY 21 - QD1 ILE 68 far 0 100 0 - 8.5-13.5 HA VAL 76 - QD1 ILE 68 far 0 93 0 - 9.3-16.1 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 9 assignments used, quality = 0.98: HB THR 37 + QD1 ILE 68 OK 89 89 100 100 2.3-4.3 4763/2.9=58, 2.1/4757=57...(21) HA LEU 64 + QD1 ILE 68 OK 82 83 100 100 3.7-4.7 3.0/5251=71, 3.0/5252=70...(8) HA ALA 20 - QD1 ILE 68 far 0 81 0 - 7.0-14.1 HA LYS 39 - QD1 ILE 68 far 0 97 0 - 7.9-10.2 HA GLU 19 - QD1 ILE 68 far 0 89 0 - 8.6-15.5 HA LYS 75 - QD1 ILE 68 far 0 100 0 - 8.8-15.4 HA LYS 85 - QD1 ILE 68 far 0 97 0 - 9.1-32.0 HA THR 15 - QD1 ILE 68 far 0 99 0 - 9.6-21.8 HA ALA 77 - QD1 ILE 68 far 0 99 0 - 9.9-18.9 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 99 2.8-5.8 5047/1.8=87, 4733=60...(13) HA2 GLY 72 - HB3 ARG 69 far 15 98 15 - 5.3-8.8 HA VAL 76 - HB3 ARG 69 far 0 100 0 - 7.5-14.4 Violated in 2 structures by 0.11 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 99 3.1-3.9 4751=41, 291/2.9=40...(31) QG1 VAL 41 + HA ARG 69 OK 98 99 100 98 2.5-4.5 4903/3.9=41, 2.1/4769=37...(26) QD1 ILE 68 - HA ARG 69 far 0 81 0 - 5.8-6.0 QD1 LEU 43 - HA ARG 69 far 0 63 0 - 7.1-9.6 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 = 1.00: HD2 ARG 69 + HA ARG 69 OK 94 95 100 99 2.4-4.6 4.6=80, 3.0/2789=39...(25) HD3 ARG 69 + HA ARG 69 OK 94 95 100 99 2.7-4.8 4.6=80, 3.0/2789=39...(25) HB VAL 76 - HA ARG 69 far 0 100 0 - 6.4-14.4 HB VAL 45 - HA ARG 69 far 0 78 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 4769 from cnoeabs.peaks (0.91, 3.63, 59.20 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.95: QG2 ILE 40 + HA ARG 69 OK 83 87 100 96 2.1-4.1 4303/3.0=35, 4302/3.0=30...(28) QG2 VAL 41 + HA ARG 69 OK 72 76 100 95 1.9-3.0 5130=32, 2.1/4767=28...(27) QG2 VAL 76 - HA ARG 69 far 0 98 0 - 5.0-11.2 QG1 VAL 76 - HA ARG 69 far 0 98 0 - 5.6-10.6 HG12 ILE 68 - HA ARG 69 far 0 98 0 - 6.2-6.7 QD2 LEU 62 - HA ARG 69 far 0 87 0 - 8.5-12.4 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 1.9-3.6 4303=88, 4302/1.8=62...(25) QG2 VAL 41 + HB2 ARG 69 OK 95 96 100 100 2.5-5.5 ~4903=38, 4774/1.8=38...(24) QG2 VAL 76 - HB2 ARG 69 far 15 100 15 - 5.3-12.2 QG1 VAL 76 - HB2 ARG 69 far 5 100 5 - 4.4-12.1 HG12 ILE 68 - HB2 ARG 69 far 5 100 5 - 5.6-7.7 QD2 LEU 62 - HB2 ARG 69 far 0 99 0 - 6.2-10.7 QD2 LEU 43 - HB2 ARG 69 far 0 78 0 - 8.1-10.6 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 1.9-4.1 4303/1.8=74, 4302=61...(27) QG2 VAL 41 + HB3 ARG 69 OK 96 97 100 100 2.7-5.5 ~4903=38, 4773/1.8=38...(28) QG2 VAL 76 - HB3 ARG 69 poor 20 100 20 - 4.2-11.7 QG1 VAL 76 - HB3 ARG 69 lone 0 100 30 2 4.7-11.9 QD2 LEU 62 - HB3 ARG 69 far 0 99 0 - 6.7-11.9 HG12 ILE 68 - HB3 ARG 69 far 0 100 0 - 7.2-8.2 QD2 LEU 43 - HB3 ARG 69 far 0 81 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 4776 from cnoeabs.peaks (3.96, 1.24, 27.02 ppm; 4.11 A): 3 out of 10 assignments used, quality = 0.88: HA ARG 66 + HG2 ARG 69 OK 60 97 65 96 3.6-6.7 5047/3.0=57, 4766/3.0=51...(11) HA ALA 28 + HG13 ILE 33 OK 60 60 100 100 2.0-4.1 4174/2.1=60, ~5196=50...(18) HA GLN 61 + HG13 ILE 33 OK 23 63 40 91 4.6-7.2 4503/2.1=43, ~4663=19...(16) HA LYS 32 - HG13 ILE 33 poor 20 57 45 77 4.0-6.6 3776/575=51, 5543/1.8=24...(7) HA2 GLY 72 - HG2 ARG 69 far 5 100 5 - 5.5-8.6 HA THR 37 - HG13 ILE 33 far 1 29 5 - 5.4-8.1 HA THR 37 - HG2 ARG 69 far 0 57 0 - 6.6-9.6 HA VAL 76 - HG2 ARG 69 far 0 100 0 - 8.0-14.4 HA ARG 66 - HG13 ILE 33 far 0 57 0 - 8.1-11.6 HA3 GLY 21 - HG13 ILE 33 far 0 53 0 - 9.9-16.2 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 = 1.00: HA ARG 66 + HG3 ARG 69 OK 100 100 100 100 3.4-6.3 5047/3.0=82, 4766/3.0=76...(11) HA ARG 70 + HG3 ARG 69 OK 78 78 100 100 3.1-6.2 2.9/3944=76, ~5829=61...(18) HA2 GLY 72 + HG3 ARG 69 OK 26 89 35 84 5.8-9.7 3.6/2816=25, 3.0/5839=23...(13) HA VAL 76 - HG3 ARG 69 far 0 96 0 - 7.9-15.0 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 = 1.00: QG2 VAL 41 + HG3 ARG 69 OK 97 97 100 100 3.4-5.9 3.2/5253=60, ~4903=53...(28) QG2 ILE 40 + HG3 ARG 69 OK 91 92 100 99 2.3-5.0 4303/3.0=58, 4302/3.0=49...(24) QG1 VAL 76 - HG3 ARG 69 poor 18 73 25 - 3.8-11.7 QG2 VAL 76 - HG3 ARG 69 poor 15 73 20 - 4.2-12.4 HG12 ILE 68 - HG3 ARG 69 far 0 73 0 - 6.1-9.6 QD2 LEU 62 - HG3 ARG 69 far 0 92 0 - 6.8-10.9 QD2 LEU 43 - HG3 ARG 69 far 0 100 0 - 7.0-10.9 QD1 LEU 64 - HG3 ARG 69 far 0 97 0 - 7.8-11.2 Violated in 2 structures by 0.01 A. Peak 4779 from cnoeabs.peaks (0.95, 1.24, 27.02 ppm; 4.54 A): 3 out of 14 assignments used, quality = 1.00: QG2 VAL 41 + HG2 ARG 69 OK 96 97 100 100 3.5-4.9 2.1/4903=67, 3.2/5254=58...(25) QG2 ILE 40 + HG2 ARG 69 OK 90 90 100 100 1.9-4.4 4303/3.0=59, 4302/3.0=50...(25) QD1 LEU 64 + HG13 ILE 33 OK 59 59 100 99 3.1-5.3 ~6122=66, ~5026=35...(17) QG1 VAL 76 - HG2 ARG 69 poor 14 71 20 - 4.0-10.8 QG2 VAL 76 - HG2 ARG 69 poor 14 71 20 - 4.3-12.2 HG12 ILE 68 - HG13 ILE 33 poor 11 37 30 - 3.7-9.3 QG2 ILE 40 - HG13 ILE 33 far 5 51 10 - 5.9-8.7 HG12 ILE 68 - HG2 ARG 69 far 0 71 0 - 6.7-9.5 QD2 LEU 43 - HG2 ARG 69 far 0 100 0 - 6.8-10.5 QD2 LEU 62 - HG2 ARG 69 far 0 90 0 - 7.8-10.9 QG2 VAL 41 - HG13 ILE 33 far 0 57 0 - 8.1-10.8 QD2 LEU 62 - HG13 ILE 33 far 0 51 0 - 8.2-10.1 QD1 LEU 64 - HG2 ARG 69 far 0 98 0 - 8.3-10.8 QG2 VAL 76 - HG13 ILE 33 far 0 37 0 - 9.5-19.4 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 = 1.00: QG2 ILE 40 + HD3 ARG 69 OK 97 100 100 97 2.0-5.2 4303/3.9=54, 4302/3.9=45...(18) QG2 ILE 40 + HD2 ARG 69 OK 97 100 100 97 2.1-5.5 4303/3.9=54, 4302/3.9=45...(17) QG2 VAL 41 + HD2 ARG 69 OK 96 97 100 99 2.6-5.9 ~4903=42, ~5253=31...(20) QG2 VAL 41 + HD3 ARG 69 OK 87 97 90 99 2.7-6.5 ~4903=42, ~5253=31...(20) QG2 VAL 76 - HD2 ARG 69 poor 20 100 20 - 2.4-11.6 QG2 VAL 76 - HD3 ARG 69 poor 20 100 20 - 2.5-11.4 QD2 LEU 43 - HD2 ARG 69 far 4 83 5 - 5.8-10.9 QG1 VAL 76 - HD2 ARG 69 lone 1 100 30 2 2.7-12.3 QG1 VAL 76 - HD3 ARG 69 lone 1 100 25 2 2.0-12.4 QD2 LEU 43 - HD3 ARG 69 far 0 83 0 - 6.3-9.9 QD2 LEU 62 - HD3 ARG 69 far 0 100 0 - 6.4-12.0 QD2 LEU 62 - HD2 ARG 69 far 0 100 0 - 6.5-11.3 HG12 ILE 68 - HD2 ARG 69 far 0 100 0 - 8.3-10.5 HG12 ILE 68 - HD3 ARG 69 far 0 100 0 - 8.4-10.7 QD1 LEU 64 - HD3 ARG 69 far 0 57 0 - 9.1-12.1 QD1 LEU 64 - HD2 ARG 69 far 0 57 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 4784 from cnoeabs.peaks (7.14, 1.38, 27.02 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 48 + HG3 ARG 69 OK 97 97 100 100 2.5-6.2 5981/1.8=74, 5979/3.0=61...(17) Violated in 4 structures by 0.06 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 2.8-5.7 5981/3.0=43, 2.2/4790=36...(19) QE PHE 48 + HD3 ARG 69 OK 92 99 95 99 2.3-6.1 5981/3.0=43, 2.2/5823=35...(20) Violated in 3 structures by 0.05 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 98 100 100 99 2.8-5.7 5981/3.0=43, 4784/3.0=38...(19) QE PHE 48 + HD3 ARG 69 OK 94 100 95 99 2.3-6.1 5981/3.0=43, 4784/3.0=38...(20) Violated in 3 structures by 0.07 A. Peak 4790 from cnoeabs.peaks (6.96, 2.03, 42.48 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.95: HZ PHE 48 + HD2 ARG 69 OK 81 96 85 99 2.9-6.9 2.2/4789=41, 4652/3.0=37...(20) HZ PHE 48 + HD3 ARG 69 OK 76 96 80 99 3.4-7.0 2.2/4789=39, 4652/3.0=37...(21) QE PHE 35 - HD3 ARG 69 far 5 92 5 - 5.9-10.5 QE PHE 35 - HD2 ARG 69 far 0 92 0 - 6.6-10.7 HD22 ASN 42 - HD3 ARG 69 far 0 78 0 - 6.6-11.9 HD22 ASN 42 - HD2 ARG 69 far 0 78 0 - 6.7-11.7 HZ PHE 35 - HD3 ARG 69 far 0 93 0 - 7.0-12.1 HZ PHE 35 - HD2 ARG 69 far 0 93 0 - 7.4-12.0 Violated in 8 structures by 0.25 A. Peak 4794 from cnoeabs.peaks (0.93, 3.74, 46.02 ppm; 4.08 A): 2 out of 6 assignments used, quality = 0.96: QG2 VAL 41 + HA3 GLY 72 OK 95 100 95 100 2.0-6.1 4335=99, 2.1/4338=73...(17) HG12 ILE 68 + HA3 GLY 72 OK 21 97 25 86 3.7-9.3 3.2/4795=30, 5816/3.0=18...(14) QG1 VAL 76 - HA3 GLY 72 far 10 97 10 - 4.2-10.9 QG2 ILE 40 - HA3 GLY 72 far 5 100 5 - 5.1-7.8 QG2 VAL 76 - HA3 GLY 72 lone 4 97 25 16 3.8-11.7 5263/3.6=7, 4796/1.8=3...(5) QD1 LEU 64 - HA3 GLY 72 far 0 73 0 - 7.0-10.1 Violated in 4 structures by 0.14 A. Peak 4795 from cnoeabs.peaks (0.80, 3.74, 46.02 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.97: QG2 ILE 68 + HA3 GLY 72 OK 85 96 95 94 1.9-5.6 4797/1.8=34, 5056/3.0=32...(20) QG1 VAL 41 + HA3 GLY 72 OK 80 100 80 100 3.4-6.9 4338=98, 4339/1.8=73...(14) QD1 ILE 68 - HA3 GLY 72 far 14 90 15 - 4.8-8.2 Violated in 1 structures by 0.03 A. Peak 4796 from cnoeabs.peaks (0.93, 3.96, 46.02 ppm; 4.28 A): 3 out of 6 assignments used, quality = 0.99: QG2 VAL 41 + HA2 GLY 72 OK 99 99 100 100 1.8-4.8 4335/1.8=84, 2.1/4339=76...(23) QG2 ILE 40 + HA2 GLY 72 OK 41 100 60 69 4.9-7.3 5055/3.0=15...(14) HG12 ILE 68 + HA2 GLY 72 OK 23 99 25 91 3.8-8.5 3.2/4797=29, ~4795=22...(15) QG1 VAL 76 - HA2 GLY 72 far 10 99 10 - 4.3-10.5 QG2 VAL 76 - HA2 GLY 72 poor 8 99 25 34 4.1-11.2 5850/15851=11...(8) QD1 LEU 64 - HA2 GLY 72 far 0 63 0 - 6.7-9.7 Violated in 1 structures by 0.01 A. Peak 4797 from cnoeabs.peaks (0.79, 3.96, 46.02 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.99: QG2 ILE 68 + HA2 GLY 72 OK 90 93 100 97 2.1-4.7 4795/1.8=40, 5056/3.0=32...(26) QG1 VAL 41 + HA2 GLY 72 OK 85 100 85 100 2.6-5.9 4339=96, 4338/1.8=78...(21) QD1 ILE 68 + HA2 GLY 72 OK 20 93 25 87 4.1-7.4 ~4795=21, 3.2/6108=17...(18) Violated in 1 structures by 0.00 A. Peak 4799 from cnoeabs.peaks (1.91, 3.74, 46.02 ppm; 5.49 A): 3 out of 7 assignments used, quality = 0.90: HB VAL 41 + HA3 GLY 72 OK 72 90 80 100 4.5-9.4 2.1/4335=98, 2.1/4338=97...(13) HB ILE 68 + HA3 GLY 72 OK 48 89 55 99 4.2-8.5 2.1/4795=51, ~5845=47...(17) HG13 ILE 68 + HA3 GLY 72 OK 28 97 30 97 4.5-9.1 3.2/4795=46, ~4797=31...(14) HB2 GLU 19 - HA3 GLY 72 far 5 100 5 - 6.6-22.0 HG12 ILE 40 - HA3 GLY 72 far 0 98 0 - 7.1-11.6 HB3 ARG 66 - HA3 GLY 72 far 0 63 0 - 9.3-12.6 HB2 GLN 91 - HA3 GLY 72 far 0 89 0 - 9.6-50.5 Violated in 6 structures by 0.07 A. Peak 4800 from cnoeabs.peaks (4.25, 3.95, 45.26 ppm; 4.06 A): 4 out of 24 assignments used, quality = 0.96: HA ALA 20 + HA2 GLY 21 OK 64 93 100 68 4.3-5.3 5494/1.8=31, 5494=30...(4) HA ALA 20 + HA3 GLY 21 OK 63 93 100 68 4.3-5.2 5494=31, 5494/1.8=30...(4) HA GLU 19 + HA3 GLY 18 OK 43 62 100 70 4.3-5.3 3.0/25=26, ~24=22...(10) HA GLU 19 + HA2 GLY 18 OK 42 60 100 70 4.3-5.4 3.0/25=26, ~25=22...(10) HA LYS 75 - HA3 GLY 21 far 5 100 5 - 3.6-24.6 HA LYS 75 - HA2 GLY 21 far 5 100 5 - 4.8-25.9 HA GLU 19 - HA2 GLY 21 far 5 97 5 - 5.4-7.9 HA ALA 20 - HA3 GLY 18 far 3 58 5 - 5.2-8.0 HB THR 37 - HA3 GLY 18 far 2 42 5 - 5.1-18.7 HB THR 37 - HA2 GLY 18 far 2 40 5 - 5.3-18.8 HA LYS 75 - HA2 GLY 18 far 0 64 0 - 5.6-31.4 HA GLU 19 - HA3 GLY 21 far 0 97 0 - 5.8-8.2 HA ALA 20 - HA2 GLY 18 far 0 56 0 - 6.1-7.9 HA THR 15 - HA3 GLY 18 far 0 67 0 - 6.7-11.2 HA LYS 75 - HA3 GLY 18 far 0 67 0 - 6.8-30.7 HB THR 37 - HA3 GLY 21 far 0 73 0 - 7.2-13.3 HA THR 15 - HA2 GLY 18 far 0 65 0 - 7.8-11.6 HA ALA 77 - HA3 GLY 21 far 0 93 0 - 8.1-28.4 HA ALA 77 - HA2 GLY 21 far 0 93 0 - 8.2-28.8 HB THR 37 - HA2 GLY 21 far 0 73 0 - 8.4-13.9 HA LYS 39 - HA2 GLY 18 far 0 64 0 - 8.7-26.6 HA THR 15 - HA2 GLY 21 far 0 100 0 - 9.0-21.2 HA THR 15 - HA3 GLY 21 far 0 100 0 - 9.2-20.6 HA LYS 83 - HA2 GLY 21 far 0 100 0 - 9.5-38.4 Violated in 0 structures by 0.00 A. Peak 4801 from cnoeabs.peaks (4.54, 3.79, 50.51 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 13 + HD2 PRO 14 OK 100 100 100 100 2.3-2.7 4817=97, 4816/1.8=70...(9) HA LEU 43 - HD2 PRO 14 far 0 98 0 - 6.1-34.1 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 1.9-2.5 4816=90, 4817/1.8=71...(8) HA LEU 43 - HD3 PRO 14 far 0 99 0 - 6.6-34.7 Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (0.86, 2.30, 36.07 ppm; 4.57 A): 3 out of 7 assignments used, quality = 0.95: QD2 LEU 29 + HG3 GLU 25 OK 85 95 95 94 2.1-9.9 4165/1.8=58...(12) QD1 LEU 62 + HG3 GLU 59 OK 48 62 85 90 3.6-6.6 5365/4.2=60, 4642/1.8=47...(6) QD1 LEU 29 + HG3 GLU 25 OK 34 76 55 82 4.6-7.4 ~4165=41, 5367/3746=21...(8) QD2 LEU 86 - HG3 GLU 25 far 4 71 5 - 5.1-36.6 QD2 LEU 86 - HG3 GLU 59 far 0 47 0 - 6.5-42.8 QD2 LEU 64 - HG3 GLU 25 far 0 95 0 - 6.8-10.6 QD2 LEU 64 - HG3 GLU 59 far 0 68 0 - 7.9-11.8 Violated in 2 structures by 0.02 A. Peak 4805 from cnoeabs.peaks (0.86, 4.07, 58.59 ppm; 4.25 A): 4 out of 13 assignments used, quality = 0.99: QD1 LEU 29 + HA ARG 26 OK 91 92 100 100 1.9-3.1 3.1/5394=66, 3.1/5348=65...(18) QD2 LEU 29 + HA ARG 26 OK 80 81 100 100 1.9-4.6 3.1/5394=66, 3.1/5348=65...(21) QD2 LEU 29 + HA GLU 25 OK 49 57 95 90 3.3-8.2 4165/4.1=34, 5349=26...(13) QD1 LEU 29 + HA GLU 25 OK 37 67 70 78 4.7-6.1 5367/3.6=30, 2.1/5349=26...(9) QD1 LEU 86 - HA ARG 26 far 4 76 5 - 2.9-41.9 QD2 LEU 64 - HA GLU 25 far 3 57 5 - 5.3-7.5 QD1 LEU 86 - HA GLU 25 far 3 53 5 - 3.8-37.9 QD2 LEU 64 - HA ARG 26 far 0 81 0 - 6.8-8.1 QG2 ILE 89 - HA ARG 26 far 0 73 0 - 7.5-47.4 QD1 LEU 86 - HA ARG 71 far 0 63 0 - 8.5-34.1 QG2 ILE 89 - HA GLU 25 far 0 51 0 - 9.3-43.4 QG2 ILE 89 - HA ARG 71 far 0 60 0 - 9.4-38.9 QD2 LEU 64 - HA ARG 71 far 0 67 0 - 9.4-12.4 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 9 assignments used, quality = 0.98: QB ALA 30 + HA ARG 27 OK 98 100 100 98 2.5-3.5 5388=94, 5519/3.0=26...(12) HG12 ILE 33 - HA ARG 27 far 0 100 0 - 6.3-9.0 HG12 ILE 33 - HA GLU 25 far 0 56 0 - 6.5-9.2 QB ALA 30 - HA ARG 23 far 0 74 0 - 6.6-9.6 QB ALA 30 - HA GLU 25 far 0 55 0 - 6.9-8.1 HG3 LYS 13 - HA ARG 27 far 0 93 0 - 7.6-28.6 HG2 LYS 13 - HA ARG 27 far 0 85 0 - 9.0-29.9 HG3 LYS 85 - HA GLU 25 far 0 50 0 - 9.1-40.8 HG2 LYS 13 - HA GLU 25 far 0 41 0 - 9.7-30.1 Violated in 3 structures by 0.01 A. Peak 4813 from cnoeabs.peaks (1.79, 3.79, 50.51 ppm; 4.66 A): 1 out of 6 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=92...(10) HB2 LYS 32 - HD2 PRO 14 far 13 89 15 - 4.5-23.9 HB3 LYS 39 - HD2 PRO 14 far 5 99 5 - 3.8-30.7 HB3 LYS 32 - HD2 PRO 14 lone 0 89 25 1 2.8-25.5 HB ILE 33 - HD2 PRO 14 far 0 78 0 - 6.6-22.1 HB2 PRO 34 - HD2 PRO 14 far 0 97 0 - 9.3-27.0 Violated in 2 structures by 0.02 A. Peak 4816 from cnoeabs.peaks (3.63, 4.54, 54.13 ppm; 3.10 A): 1 out of 4 assignments used, quality = 0.95: HD3 PRO 14 + HA LYS 13 OK 95 98 100 97 1.9-2.5 4802=74, 1.8/4817=70...(8) HA ILE 40 - HA LEU 43 far 0 90 0 - 5.3-7.0 HD3 PRO 14 - HA LEU 43 far 0 88 0 - 6.6-34.7 HA ARG 69 - HA LEU 43 far 0 92 0 - 8.7-10.8 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 - 6.1-34.1 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (3.62, 1.79, 32.38 ppm; 4.53 A): 3 out of 10 assignments used, quality = 1.00: HD3 PRO 14 + HB2 LYS 13 OK 100 100 100 100 2.0-4.0 4820=100, 4802/3.0=84...(10) HA ILE 40 + HB3 LYS 39 OK 81 82 100 98 3.9-5.6 3.0/130=70, ~129=53...(17) HA ARG 69 + HB3 LYS 73 OK 57 83 85 81 2.0-6.8 2786=19, 2784/788=17...(18) HD3 PRO 14 - HB3 LYS 39 far 5 99 5 - 5.2-30.8 HA ARG 69 - HB3 LYS 75 far 0 79 0 - 6.2-12.5 HA ILE 40 - HB3 LYS 73 far 0 76 0 - 7.4-11.9 HA VAL 65 - HB3 LYS 39 far 0 86 0 - 8.3-11.5 HA ILE 40 - HB2 LYS 13 far 0 85 0 - 8.3-30.6 HA ARG 69 - HB3 LYS 39 far 0 89 0 - 8.5-11.1 HA VAL 65 - HB3 LYS 73 far 0 80 0 - 9.3-13.6 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 2 assignments used, quality = 1.00: HD3 PRO 14 + HB3 LYS 13 OK 100 100 100 100 2.0-4.7 4.8=100 HA ILE 40 - HB3 LYS 13 far 0 89 0 - 9.3-32.0 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 6 assignments used, quality = 0.99: HB2 LYS 13 + HD3 PRO 14 OK 99 100 100 99 2.0-4.0 3.0/4816=72, 4.8=56...(10) HB2 LYS 32 - HD3 PRO 14 far 12 83 15 - 4.5-25.3 HB3 LYS 39 - HD3 PRO 14 far 5 97 5 - 5.2-30.8 HB3 LYS 32 - HD3 PRO 14 lone 0 83 25 1 2.9-27.0 HB ILE 33 - HD3 PRO 14 far 0 71 0 - 6.9-23.3 HB2 PRO 34 - HD3 PRO 14 far 0 93 0 - 9.3-26.9 Violated in 2 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (1.67, 3.62, 50.51 ppm; 4.81 A): 3 out of 4 assignments used, quality = 1.00: HB3 LYS 13 + HD3 PRO 14 OK 92 92 100 100 2.0-4.7 4.8=100 HD3 LYS 13 + HD3 PRO 14 OK 80 100 85 94 2.0-6.9 3.5/4820=73, 5.4/4816=54...(6) HD2 LYS 13 + HD3 PRO 14 OK 80 100 85 94 2.4-7.3 3.5/4820=73, 5.4/4816=54...(6) HG LEU 29 - HD3 PRO 14 far 5 99 5 - 6.2-24.9 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (8.40, 3.93, 45.09 ppm; 4.45 A): 4 out of 12 assignments used, quality = 1.00: * H GLY 18 + HA2 GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 18 + HA3 GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 21 + HA3 GLY 21 OK 56 56 100 100 2.3-2.9 2.9=100 H GLY 21 + HA2 GLY 21 OK 54 54 100 100 2.4-3.0 2.9=100 H ARG 17 - HA2 GLY 18 lone 14 73 95 20 4.6-6.5 4.0/5496=8, 4.0/4150=6...(4) H ARG 17 - HA3 GLY 18 poor 14 73 90 21 4.6-6.1 4.0/5496=9, 4.0/4150=6...(4) H GLY 21 - HA3 GLY 18 far 9 92 10 - 3.9-10.2 H GLY 21 - HA2 GLY 18 far 5 92 5 - 5.2-10.4 H GLY 18 - HA3 GLY 21 far 3 67 5 - 4.8-12.3 H GLY 18 - HA2 GLY 21 far 3 65 5 - 5.8-12.0 H ARG 17 - HA3 GLY 21 far 2 42 5 - 5.0-15.5 H ARG 17 - HA2 GLY 21 far 2 40 5 - 5.4-16.1 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 = 0.83: QG2 THR 37 + HB3 ASP 24 OK 83 93 100 89 3.8-6.2 4276=44, 4276/1.8=43...(9) Violated in 10 structures by 0.16 A. Peak 4836 from cnoeabs.peaks (1.77, 3.96, 54.22 ppm; 4.83 A): 1 out of 10 assignments used, quality = 1.00: HB ILE 33 + HA ALA 28 OK 100 100 100 100 3.5-4.5 4219/2.1=93, 4229=78...(17) HB2 LYS 32 - HA ALA 28 far 0 100 0 - 6.8-8.0 HB3 LYS 32 - HA ALA 28 far 0 100 0 - 7.1-8.6 HG3 ARG 26 - HA ALA 28 far 0 73 0 - 7.2-9.3 HB3 ARG 17 - HA ALA 28 far 0 60 0 - 8.2-20.6 HB2 LYS 13 - HA ALA 28 far 0 89 0 - 8.5-24.8 HG2 PRO 34 - HA ALA 28 far 0 95 0 - 8.6-10.1 HG3 ARG 71 - HA ALA 28 far 0 81 0 - 9.1-13.6 HB3 LYS 39 - HA ALA 28 far 0 97 0 - 9.7-13.9 HB2 PRO 34 - HA ALA 28 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 4837 from cnoeabs.peaks (1.89, 1.34, 17.80 ppm; 4.39 A): 1 out of 9 assignments used, quality = 0.71: HB ILE 68 + QB ALA 28 OK 71 100 75 95 4.6-6.3 3.2/5302=72, ~5928=38...(13) HG12 ILE 40 - QB ALA 28 poor 12 96 35 37 5.2-6.8 4277/6128=20...(4) HB2 ARG 26 - QB ALA 28 far 0 95 0 - 6.0-6.6 HB3 ARG 26 - QB ALA 28 far 0 96 0 - 6.2-6.8 HB2 GLU 19 - QB ALA 28 far 0 89 0 - 6.3-15.1 HB3 PRO 14 - QB ALA 28 far 0 99 0 - 6.5-19.5 HB3 PRO 34 - QB ALA 28 far 0 85 0 - 8.0-9.0 HB2 MET 11 - QB ALA 28 far 0 99 0 - 9.7-27.7 HB2 ARG 66 - QB ALA 28 far 0 89 0 - 9.8-11.2 Violated in 20 structures by 1.16 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 4.4-5.1 4182/2.1=96, 5525/78=92...(14) H ASN 42 - QB ALA 28 far 0 99 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 4839 from cnoeabs.peaks (1.34, 0.84, 23.57 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 28 + QD2 LEU 29 OK 100 100 100 100 2.3-5.7 4183/1482=65, 78/4.8=58...(22) QB ALA 12 - QD2 LEU 29 far 10 100 10 - 3.5-20.5 HG3 LYS 32 - QD2 LEU 29 far 5 98 5 - 5.4-9.5 QB ALA 28 - QD2 LEU 86 far 4 87 5 - 3.8-31.5 QB ALA 16 - QD2 LEU 29 lone 1 78 50 2 1.9-19.5 Violated in 1 structures by 0.06 A. Peak 4840 from cnoeabs.peaks (1.16, 0.84, 23.57 ppm; 4.46 A): 1 out of 7 assignments used, quality = 0.75: QG2 THR 37 + QD2 LEU 29 OK 75 99 90 84 4.2-8.2 6128/4839=56...(9) QG2 THR 15 - QD2 LEU 29 poor 19 63 30 - 2.3-18.1 HG12 ILE 89 - QD2 LEU 86 poor 12 64 50 38 3.8-11.0 ~6150=20, 3621=9...(6) QG2 THR 88 - QD2 LEU 29 far 4 89 5 - 5.2-36.7 QG2 THR 37 - QD2 LEU 86 far 4 84 5 - 4.4-28.6 HG12 ILE 89 - QD2 LEU 29 far 4 81 5 - 5.7-43.0 QG2 THR 88 - QD2 LEU 86 lone 3 72 70 6 2.4-7.8 3.9/5268=2 Violated in 17 structures by 0.73 A. Peak 4842 from cnoeabs.peaks (1.68, 4.13, 53.99 ppm; 4.70 A): 1 out of 7 assignments used, quality = 0.59: HG LEU 29 + HA ALA 30 OK 59 99 60 100 3.4-6.5 83/3.0=74, ~4843=46...(18) HD3 LYS 13 - HA ALA 30 lone 6 89 45 15 2.2-27.2 5329/4188=10, 83/3.0=4 HD2 LYS 13 - HA ALA 30 lone 5 89 45 13 2.5-27.6 5329/4188=9, ~83=3 HB3 LYS 13 - HA ALA 30 lone 0 100 25 1 2.2-27.6 HG2 ARG 23 - HA ALA 30 far 0 96 0 - 8.4-14.8 HB3 LEU 64 - HA ALA 30 far 0 92 0 - 8.8-10.8 HB3 GLN 61 - HA ALA 30 far 0 76 0 - 9.2-11.3 Violated in 11 structures by 0.83 A. Peak 4843 from cnoeabs.peaks (1.74, 1.45, 18.15 ppm; 4.36 A): 1 out of 5 assignments used, quality = 0.73: HB2 LEU 29 + QB ALA 30 OK 73 73 100 100 3.6-5.4 4.6/553=59, ~82=50...(25) HG3 ARG 26 - QB ALA 30 poor 20 99 20 - 4.7-7.8 HB ILE 33 - QB ALA 30 far 0 63 0 - 6.7-8.5 HB3 ARG 17 - QB ALA 30 far 0 100 0 - 8.9-19.3 HB2 ARG 84 - QB ALA 30 far 0 93 0 - 9.9-38.7 Violated in 7 structures by 0.23 A. Peak 4845 from cnoeabs.peaks (0.84, 2.07, 32.66 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 64 + HB3 MET 31 OK 100 100 100 100 2.0-3.3 6121/1.8=93, 4198/3.0=72...(19) QD2 LEU 29 - HB3 MET 31 far 0 100 0 - 6.2-8.3 QG2 ILE 89 - HB3 MET 31 far 0 100 0 - 6.5-46.2 QD1 LEU 43 - HB3 PRO 44 far 0 42 0 - 6.7-7.4 QD1 ILE 89 - HB3 MET 31 far 0 57 0 - 7.3-46.0 QD2 LEU 86 - HB3 MET 31 far 0 99 0 - 8.8-41.0 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 2.0-3.3 6122/4845=69...(17) QD2 LEU 57 + HB3 MET 31 OK 43 100 60 72 5.1-7.3 4988/5910=27...(10) Violated in 0 structures by 0.00 A. Peak 4847 from cnoeabs.peaks (0.71, 2.63, 32.57 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG2 MET 31 OK 100 100 100 100 3.2-5.0 6122/4198=81...(16) QD2 LEU 57 - HG2 MET 31 far 5 100 5 - 6.5-9.7 Violated in 0 structures by 0.00 A. Peak 4848 from cnoeabs.peaks (0.71, 2.52, 32.57 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + HG3 MET 31 OK 99 99 100 100 3.4-4.6 4847/1.8=82...(18) QD2 LEU 57 - HG3 MET 31 far 5 100 5 - 6.2-8.9 Violated in 0 structures by 0.00 A. Peak 4849 from cnoeabs.peaks (2.73, 1.77, 36.30 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + HB ILE 33 OK 100 100 100 100 3.9-5.1 4.8=100 Violated in 0 structures by 0.00 A. Peak 4850 from cnoeabs.peaks (3.54, 1.77, 36.30 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + HB ILE 33 OK 100 100 100 100 4.3-5.1 4.8=100 HD3 PRO 36 - HB ILE 33 poor 19 63 45 67 6.5-7.3 4.8/5547=53, 4234/2.1=22...(5) 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 2.4-4.4 4215/1682=71...(19) Violated in 1 structures by 0.01 A. Peak 4852 from cnoeabs.peaks (1.03, 3.89, 56.86 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.98: HG3 PRO 34 + HA ILE 33 OK 90 90 100 100 4.1-4.3 2.3/4217=98, 2.3/4216=97...(18) QD1 ILE 40 + HA ILE 33 OK 81 100 85 96 5.4-6.8 4300/3.2=84...(10) Violated in 0 structures by 0.00 A. Peak 4853 from cnoeabs.peaks (0.82, 1.22, 27.27 ppm; 4.07 A): 3 out of 12 assignments used, quality = 0.90: QD2 LEU 64 + HG13 ILE 33 OK 82 83 100 99 1.9-3.9 6122/2.1=82, 5030=35...(19) QG1 VAL 41 + HG2 ARG 69 OK 30 31 100 98 3.7-4.7 3.2/4342=48, ~5253=34...(24) QG2 ILE 68 + HG2 ARG 69 OK 21 51 50 82 3.9-6.5 291/4.7=25, ~4748=24...(16) QD2 LEU 29 - HG13 ILE 33 poor 16 83 50 38 4.8-7.6 4173/4228=15...(5) QG2 ILE 68 - HG13 ILE 33 poor 10 90 30 39 4.4-8.7 ~5376=22, 3.2/5168=6...(7) QD1 LEU 43 - HG2 ARG 69 far 3 62 5 - 5.5-10.1 QD1 ILE 89 - HG13 ILE 33 far 0 93 0 - 5.7-43.3 QG2 ILE 89 - HG13 ILE 33 far 0 89 0 - 5.8-43.6 QD2 LEU 86 - HG13 ILE 33 far 0 99 0 - 6.8-38.2 QD2 LEU 64 - HG2 ARG 69 far 0 46 0 - 8.8-12.1 QD1 LEU 43 - HG13 ILE 33 far 0 100 0 - 9.1-11.8 QD2 LEU 86 - HG2 ARG 69 far 0 60 0 - 9.9-30.3 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 = 1.00: HA THR 37 + QG2 ILE 33 OK 98 100 100 98 4.2-4.9 3.2/4285=58...(10) HA ALA 28 + QG2 ILE 33 OK 85 85 100 100 3.9-5.3 2.1/5195=70, 4229/2.1=65...(13) HA GLN 61 - QG2 ILE 33 poor 17 68 25 - 5.3-6.2 HA LEU 62 - QG2 ILE 33 far 5 92 5 - 5.7-6.9 HA2 GLY 18 - QG2 ILE 33 far 0 97 0 - 8.3-19.2 HA3 GLY 18 - QG2 ILE 33 far 0 97 0 - 8.3-18.8 HA2 GLY 72 - QG2 ILE 33 far 0 73 0 - 9.5-11.0 Violated in 1 structures by 0.01 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 2.0-4.4 4655=97, 5763/4217=80...(15) QE TYR 55 + HD3 PRO 34 OK 55 68 80 100 5.0-7.5 ~4246=69, ~5565=66...(17) QE TYR 55 - HD3 PRO 36 poor 17 25 90 78 5.8-7.7 6080/4.8=55...(7) Violated in 0 structures by 0.00 A. Peak 4858 from cnoeabs.peaks (6.84, 2.72, 50.48 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.99: HE22 GLN 61 + HD2 PRO 34 OK 97 97 100 100 3.3-4.0 4655/1.8=96...(13) QE TYR 55 + HD2 PRO 34 OK 68 68 100 100 5.7-7.4 ~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 2.0-5.4 2.5/4246=80, ~5565=57...(24) Violated in 1 structures by 0.02 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 95 100 4.6-6.5 4851/2.3=62, 4226/2.3=54...(22) QD2 LEU 57 + HG2 PRO 34 OK 78 78 100 100 1.9-3.0 4603/2.3=58, 4605/2.3=53...(23) 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 2.0-2.1 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 82 100 90 91 3.6-5.5 4221=46, 3.2/4614=24...(18) 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 4.3-4.4 4217/2.3=89, 4216/2.3=88...(22) HA LEU 51 - HG2 PRO 34 far 0 97 0 - 6.9-9.2 HA LEU 62 - HG2 PRO 34 far 0 83 0 - 7.4-9.5 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 2.0-4.4 1.8/4859=79, 2.5/4246=79...(24) HB3 PHE 35 + HG2 PRO 34 OK 60 60 100 100 4.1-6.1 2.6/4242=78, ~4243=61...(19) HE2 LYS 32 - HG2 PRO 34 far 5 93 5 - 6.4-12.4 HE3 LYS 32 - HG2 PRO 34 far 0 92 0 - 6.7-12.0 Violated in 0 structures by 0.00 A. Peak 4864 from cnoeabs.peaks (6.83, 1.78, 30.55 ppm; 4.40 A): 5 out of 7 assignments used, quality = 0.99: QE TYR 55 + HB2 PRO 34 OK 90 90 100 100 2.0-5.2 4667/1.8=67, 4664/2.3=63...(21) HE22 GLN 61 + HB2 LYS 32 OK 54 65 95 88 2.7-6.0 4072/3.0=22, ~6065=22...(16) HE22 GLN 61 + HB3 LYS 32 OK 45 65 80 87 3.9-6.8 ~6065=28, 4670/1.8=23...(14) QE TYR 55 + HB2 ARG 54 OK 41 41 100 100 2.8-5.8 4644/1.8=81, ~4634=60...(22) HE22 GLN 61 + HB2 PRO 34 OK 37 100 40 92 4.2-7.9 4655/3.0=56, ~5764=34...(13) QE TYR 55 - HB3 LYS 32 far 0 53 0 - 9.4-11.5 QE TYR 55 - HB2 LYS 32 far 0 53 0 - 9.5-11.9 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 2.8-4.0 4530/2.6=80, 2.1/5353=79...(20) Violated in 0 structures by 0.00 A. Peak 4866 from cnoeabs.peaks (3.69, 2.88, 38.68 ppm; 4.17 A): 2 out of 6 assignments used, quality = 1.00: HA VAL 45 + HB3 PHE 48 OK 100 100 100 100 2.4-4.4 4407/1.8=86, 4418/2.5=62...(18) HD3 PRO 44 + HB3 PHE 48 OK 42 76 65 86 4.4-6.7 4.8/4475=36, 4.8/4379=29...(10) HD2 PRO 56 - HB3 PHE 35 far 0 61 0 - 6.8-10.0 HD3 PRO 56 - HB3 PHE 35 far 0 61 0 - 8.1-11.1 HD2 PRO 56 - HB2 PHE 35 far 0 55 0 - 8.3-11.5 HD3 PRO 56 - HB2 PHE 35 far 0 55 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 4867 from cnoeabs.peaks (7.38, 2.12, 32.41 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.93: H LYS 39 + HB2 PRO 36 OK 93 93 100 100 2.7-3.7 4881/1.8=75, 4.0/4877=66...(16) 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 + HG3 PRO 36 OK 91 92 100 99 2.3-5.0 4867/2.3=69, 4881/2.3=63...(16) H LYS 39 + HG2 PRO 36 OK 91 92 100 99 2.3-4.0 4867/2.3=69, 4881/2.3=63...(16) 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 11 assignments used, quality = 1.00: HG2 LYS 39 + HG2 PRO 36 OK 95 95 100 100 2.2-4.9 5208/2.3=41, 4893=37...(36) HD3 LYS 39 + HG3 PRO 36 OK 74 78 95 99 2.8-6.2 ~5208=26, 3.0/4893=24...(34) HD3 LYS 39 + HG2 PRO 36 OK 74 78 95 99 2.0-6.1 3.0/4893=28, ~5208=26...(34) HG2 LYS 39 + HG3 PRO 36 OK 72 96 75 100 3.2-6.1 5208/2.3=41, 4893/1.8=33...(36) HD2 LYS 39 + HG2 PRO 36 OK 72 76 95 99 2.0-6.0 3.0/4893=28, ~5208=26...(34) HD2 LYS 39 + HG3 PRO 36 OK 68 76 90 99 2.6-6.4 ~5208=26, 3.0/4893=24...(34) HB3 LEU 86 - HG2 PRO 36 far 0 100 0 - 6.6-42.2 HB3 LEU 86 - HG3 PRO 36 far 0 100 0 - 7.4-43.9 HB3 ARG 54 - HG3 PRO 56 far 0 67 0 - 8.4-9.3 HG3 ARG 54 - HG3 PRO 56 far 0 61 0 - 9.1-10.9 HG LEU 62 - HG3 PRO 56 far 0 72 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 4870 from cnoeabs.peaks (1.40, 2.10, 27.61 ppm; 4.65 A): 2 out of 10 assignments used, quality = 1.00: HG3 LYS 39 + HG2 PRO 36 OK 100 100 100 100 3.3-4.9 4894=50, 4876/2.3=48...(32) HG3 LYS 39 + HG3 PRO 36 OK 95 100 95 100 2.4-6.2 4876/2.3=48, 4894=48...(32) QB ALA 20 - HG3 PRO 36 far 3 68 5 - 6.0-14.2 QB ALA 20 - HG2 PRO 36 far 0 68 0 - 6.7-14.7 HG2 LYS 13 - HG2 PRO 36 far 0 83 0 - 6.9-31.4 HG2 LYS 13 - HG3 PRO 36 far 0 83 0 - 7.0-31.5 QB ALA 53 - HG3 PRO 56 far 0 68 0 - 9.0-10.3 HG2 LYS 85 - HG2 PRO 36 far 0 68 0 - 9.1-42.3 HG2 LYS 85 - HG3 PRO 36 far 0 68 0 - 9.8-44.1 HB3 ARG 69 - HG2 PRO 36 far 0 98 0 - 9.9-13.4 Violated in 2 structures by 0.00 A. Peak 4871 from cnoeabs.peaks (1.81, 2.10, 27.61 ppm; 4.41 A): 2 out of 10 assignments used, quality = 0.91: HB3 LYS 39 + HG3 PRO 36 OK 71 71 100 100 2.4-5.7 4877/2.3=67, 5584/2.3=49...(28) HB3 LYS 39 + HG2 PRO 36 OK 71 71 100 100 1.9-4.1 4877/2.3=67, 5584/2.3=49...(28) HB2 PRO 34 - HG3 PRO 56 lone 0 39 55 1 4.4-7.9 HB2 LYS 13 - HG2 PRO 36 far 0 87 0 - 6.8-30.9 HB2 LYS 85 - HG2 PRO 36 far 0 100 0 - 7.1-40.3 HB2 LYS 13 - HG3 PRO 36 far 0 87 0 - 7.2-29.5 HB2 LYS 85 - HG3 PRO 36 far 0 100 0 - 8.1-42.0 HB2 PRO 34 - HG2 PRO 36 far 0 63 0 - 8.6-10.4 HB2 PRO 34 - HG3 PRO 36 far 0 63 0 - 8.6-10.5 HB ILE 89 - HG2 PRO 36 far 0 90 0 - 9.8-49.6 Violated in 0 structures by 0.00 A. Peak 4872 from cnoeabs.peaks (2.87, 2.10, 27.61 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.97: HB2 PHE 35 + HG3 PRO 36 OK 83 83 100 100 3.7-4.7 4874/2.3=92, 4260/2.3=75...(26) HB2 PHE 35 + HG2 PRO 36 OK 83 83 100 100 3.6-4.6 4874/2.3=92, 4260/2.3=75...(26) HB3 PHE 48 - HG2 PRO 36 far 0 98 0 - 9.4-12.3 HB3 PHE 48 - HG3 PRO 36 far 0 98 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 4873 from cnoeabs.peaks (2.96, 2.10, 27.61 ppm; 4.47 A): 5 out of 11 assignments used, quality = 1.00: HE2 LYS 39 + HG2 PRO 36 OK 94 96 100 98 3.4-5.8 5114=32, 3.6/4893=31...(20) HE3 LYS 39 + HG2 PRO 36 OK 92 94 100 98 3.0-5.7 5114=32, 3.6/4893=31...(20) HE2 LYS 39 + HG3 PRO 36 OK 56 97 60 97 3.5-6.6 6089/2.3=29, 5114/1.8=27...(20) HE3 LYS 39 + HG3 PRO 36 OK 51 95 55 97 3.1-6.9 5114/1.8=27, 3.6/4870=26...(20) HB3 TYR 55 + HG3 PRO 56 OK 40 41 100 97 3.9-5.4 ~5292=39, 3.0/5293=29...(11) HE2 LYS 32 - HG3 PRO 56 far 0 65 0 - 7.1-13.7 HE3 LYS 32 - HG3 PRO 56 far 0 67 0 - 7.9-14.3 HE3 LYS 13 - HG3 PRO 36 far 0 100 0 - 8.3-30.2 HE3 LYS 13 - HG2 PRO 36 far 0 100 0 - 8.4-31.7 HE2 LYS 13 - HG3 PRO 36 far 0 100 0 - 9.0-29.7 HE2 LYS 13 - HG2 PRO 36 far 0 100 0 - 9.3-31.2 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 3 assignments used, quality = 0.90: HB2 PHE 35 + HD3 PRO 36 OK 90 90 100 100 1.9-3.5 5570=75, 1.8/4257=67...(22) HB2 PHE 35 - HD3 PRO 34 far 0 36 0 - 6.3-7.5 HB3 PHE 48 - HD3 PRO 36 far 0 95 0 - 9.6-14.1 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 5 assignments used, quality = 0.99: HG2 LYS 39 + HB2 PRO 36 OK 86 96 90 100 3.9-7.2 2.9/4877=87, 1.8/4876=71...(30) HD3 LYS 39 + HB2 PRO 36 OK 74 78 95 100 4.0-7.3 3.5/4877=79, 3.0/4876=62...(27) HD2 LYS 39 + HB2 PRO 36 OK 72 76 95 100 4.1-7.1 3.5/4877=79, 3.0/4876=62...(27) HB3 LEU 86 - HB2 PRO 36 far 5 100 5 - 5.8-42.6 HB3 LEU 29 - HB2 PRO 36 far 0 83 0 - 9.0-12.8 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 = 0.99: HG3 LYS 39 + HB2 PRO 36 OK 99 99 100 100 4.5-7.1 2.9/4877=93, 5586/1.8=82...(27) QB ALA 20 - HB2 PRO 36 lone 0 81 25 2 5.5-12.8 HG2 LYS 85 - HB2 PRO 36 far 0 81 0 - 7.9-42.5 HG2 LYS 13 - HB2 PRO 36 far 0 71 0 - 9.1-29.7 Violated in 14 structures by 0.33 A. Peak 4877 from cnoeabs.peaks (1.80, 2.12, 32.41 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.88: HB3 LYS 39 + HB2 PRO 36 OK 88 93 95 100 3.5-5.9 5584/1.8=56, 4.0/4867=41...(26) HB2 LYS 85 - HB2 PRO 36 far 0 99 0 - 6.3-40.3 HB ILE 33 - HB2 PRO 36 far 0 63 0 - 7.1-7.9 HB2 LYS 13 - HB2 PRO 36 far 0 99 0 - 8.9-28.7 HB2 PRO 34 - HB2 PRO 36 far 0 89 0 - 9.6-11.3 Violated in 14 structures by 0.64 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 3.4-4.8 4291/2.3=90, 6126/2.3=81...(10) H ASP 38 + HG3 PRO 36 OK 99 99 100 100 3.8-5.4 4291/2.3=90, 6126/2.3=81...(10) Violated in 0 structures by 0.00 A. Peak 4880 from cnoeabs.peaks (8.69, 2.45, 32.41 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: H ASP 38 + HB3 PRO 36 OK 99 99 100 100 4.0-4.5 4291=99, 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 = 1.00: H LYS 39 + HB3 PRO 36 OK 100 100 100 100 4.4-5.2 4867/1.8=79, 913/4291=75...(10) Violated in 1 structures by 0.00 A. Peak 4882 from cnoeabs.peaks (0.92, 4.22, 68.34 ppm; 4.48 A): 3 out of 6 assignments used, quality = 1.00: HG12 ILE 68 + HB THR 37 OK 99 100 100 99 3.2-5.9 3.2/4763=67, 2.1/4283=44...(16) QG2 ILE 40 + HB THR 37 OK 94 99 95 100 4.5-6.5 4310/3.0=68, 3.0/4282=65...(20) QG2 VAL 41 + HB THR 37 OK 80 95 100 84 3.1-5.7 1982/4763=29...(10) QG2 VAL 76 - HB THR 37 far 5 100 5 - 4.5-16.7 QG1 VAL 76 - HB THR 37 far 5 100 5 - 5.2-14.9 QD2 LEU 43 - HB THR 37 far 0 76 0 - 9.7-11.4 Violated in 2 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 3.8-5.7 4309/3.0=73, 3.2/4282=73...(21) HB2 PRO 36 + HB THR 37 OK 83 89 100 94 4.6-5.6 6126/121=55, ~4269=42...(6) HG2 PRO 36 - HB THR 37 far 5 93 5 - 6.4-7.8 HG3 PRO 36 - HB THR 37 far 0 96 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 4885 from cnoeabs.peaks (0.92, 1.17, 22.48 ppm; 4.13 A): 3 out of 9 assignments used, quality = 0.97: QG2 ILE 40 + QG2 THR 37 OK 75 95 80 99 5.1-6.3 4310/3.2=55, ~4309=35...(20) HG12 ILE 68 + QG2 THR 37 OK 69 100 70 98 3.4-6.3 3.2/4754=64, 2.1/4757=46...(16) QG2 VAL 41 + QG2 THR 37 OK 59 87 100 68 2.6-4.7 1982/4754=26...(7) QG2 VAL 76 - QG2 THR 37 far 10 100 10 - 2.4-14.5 QG1 VAL 76 - QG2 THR 37 far 10 100 10 - 2.7-13.0 QD1 LEU 86 - QG2 THR 37 far 3 60 5 - 3.6-29.0 QD2 LEU 43 - QG2 THR 37 far 0 63 0 - 8.1-9.7 QD2 LEU 62 - QG2 THR 37 far 0 95 0 - 9.7-12.4 HG LEU 51 - QG2 THR 37 far 0 71 0 - 9.9-11.6 Violated in 1 structures by 0.01 A. Peak 4886 from cnoeabs.peaks (4.59, 3.94, 64.91 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.82: HA PRO 36 + HA THR 37 OK 82 83 100 99 4.3-4.3 112/3.0=82, 4290/3.6=70...(5) 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 3.2-4.4 1.7/4356=63...(14) QE PHE 35 - HA ASP 38 far 0 99 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 4890 from cnoeabs.peaks (0.93, 4.28, 56.69 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 41 + HA ASP 38 OK 99 99 100 100 2.8-4.0 4337=90, 2.1/5355=78...(11) QG2 VAL 76 - HA ASP 38 far 15 99 15 - 3.3-17.2 QG1 VAL 76 - HA ASP 38 far 10 99 10 - 3.8-14.8 QG2 ILE 40 - HA ASP 38 far 0 100 0 - 5.7-6.6 QD2 LEU 43 - HA ASP 38 far 0 89 0 - 6.5-9.2 HG12 ILE 68 - HA ASP 38 far 0 99 0 - 7.3-10.3 QD1 LEU 64 - HA ASP 38 far 0 65 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 4891 from cnoeabs.peaks (0.80, 4.28, 56.69 ppm; 4.73 A): 2 out of 5 assignments used, quality = 0.99: QG1 VAL 41 + HA ASP 38 OK 99 99 100 100 4.5-5.6 2.1/5355=92, 2.1/4890=88...(11) QG2 ILE 68 + HA ASP 38 OK 62 100 100 62 4.4-5.9 1982/4890=34...(5) QD1 ILE 68 - HA ASP 38 far 4 76 5 - 5.9-8.6 QD1 LEU 43 - HA ASP 38 far 0 68 0 - 6.3-7.9 QD2 LEU 86 - HA ASP 38 far 0 60 0 - 9.2-32.9 Violated in 2 structures by 0.02 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 2.2-4.9 2.3/5208=56, ~4877=40...(37) HG3 PRO 36 + HG2 LYS 39 OK 85 100 85 100 3.2-6.1 2.3/5208=56, ~4877=40...(37) Violated in 2 structures by 0.03 A. Peak 4894 from cnoeabs.peaks (2.09, 1.40, 25.35 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 36 + HG3 LYS 39 OK 100 100 100 100 3.3-4.9 4870=51, 2.3/4876=49...(33) HG3 PRO 36 + HG3 LYS 39 OK 95 100 95 100 2.4-6.2 2.3/4876=49, 4870=49...(33) HB3 PRO 44 - HG3 LYS 39 far 0 100 0 - 9.8-13.0 Violated in 1 structures by 0.00 A. Peak 4895 from cnoeabs.peaks (2.11, 1.85, 32.41 ppm; 4.58 A): 4 out of 7 assignments used, quality = 1.00: HG2 PRO 36 + HB2 LYS 39 OK 93 93 100 100 1.8-5.5 ~4877=55, 2.3/5104=55...(29) HG3 PRO 36 + HB2 LYS 39 OK 76 96 80 100 3.3-6.6 ~4877=55, 2.3/5104=55...(29) HB2 PRO 36 + HB2 LYS 39 OK 66 89 75 100 3.6-6.7 4877/1.8=75, 3.0/5104=50...(24) HB ILE 40 + HB2 LYS 39 OK 48 90 55 96 5.2-6.6 3.9/129=65, 5615/5940=27...(15) HB ILE 40 - HB2 LYS 75 far 0 73 0 - 8.5-17.6 HB3 PRO 44 - HB2 LYS 75 far 0 72 0 - 8.7-20.8 HB2 PRO 36 - HB2 LYS 75 far 0 72 0 - 9.8-22.4 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 8 assignments used, quality = 1.00: QD2 LEU 43 + HG3 LYS 39 OK 100 100 100 100 3.6-6.2 2.1/5206=76, ~5111=50...(16) QG2 ILE 40 + HG3 LYS 39 OK 50 95 60 89 4.4-7.6 4.0/6077=35, 4302=29...(16) QG2 VAL 41 - HG3 LYS 39 far 10 99 10 - 5.6-8.1 QG2 VAL 76 - HG3 LYS 39 far 0 78 0 - 8.2-20.6 HG12 ILE 68 - HG3 LYS 39 far 0 78 0 - 8.5-13.7 QD1 LEU 64 - HG3 LYS 39 far 0 96 0 - 8.8-13.7 QG1 VAL 76 - HG3 LYS 39 far 0 78 0 - 9.2-18.4 QD2 LEU 62 - HG3 LYS 39 far 0 95 0 - 9.5-13.0 Violated in 2 structures by 0.01 A. Peak 4897 from cnoeabs.peaks (3.94, 1.23, 28.19 ppm; 5.29 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + HG13 ILE 40 OK 100 100 100 100 3.5-4.7 4279/2.1=100...(25) HA LEU 62 - HG13 ILE 40 far 5 93 5 - 6.7-9.4 HA ALA 28 - HG13 ILE 40 far 0 83 0 - 8.0-9.8 HA2 GLY 72 - HG13 ILE 40 far 0 71 0 - 8.2-10.4 HA GLN 61 - HG13 ILE 40 far 0 65 0 - 8.8-11.1 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 3.9-5.8 5249/2.1=99, 4753/2.9=84...(29) QD1 ILE 68 + HG13 ILE 40 OK 65 65 100 100 4.2-6.4 5247/2.1=65, ~5249=64...(23) QD1 LEU 43 + HG13 ILE 40 OK 64 78 100 82 3.6-5.9 4296/4.0=38...(7) QG1 VAL 41 - HG13 ILE 40 far 0 96 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 4900 from cnoeabs.peaks (7.62, 1.03, 14.28 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.99: H VAL 41 + QD1 ILE 40 OK 99 99 100 100 3.9-4.8 143=99, 139/3.2=90...(13) HD21 ASN 42 - QD1 ILE 40 far 0 99 0 - 7.0-8.6 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 8 assignments used, quality = 0.99: H ARG 70 + QD1 ILE 40 OK 89 99 95 94 6.0-7.4 5826/5622=50...(8) H ARG 69 + QD1 ILE 40 OK 73 73 100 100 3.8-5.1 4.1/5249=89, 4.4/5246=69...(15) H ASP 67 + QD1 ILE 40 OK 58 63 100 93 5.2-6.9 4.6/5622=56...(12) H LEU 29 - QD1 ILE 40 poor 20 99 20 - 6.6-8.6 H ALA 63 - QD1 ILE 40 far 0 85 0 - 7.9-9.3 H LYS 32 - QD1 ILE 40 far 0 87 0 - 8.1-9.7 H ALA 30 - QD1 ILE 40 far 0 73 0 - 8.3-10.0 H VAL 76 - QD1 ILE 40 far 0 100 0 - 9.1-15.7 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 = 0.86: HG2 ARG 69 + QG1 VAL 41 OK 86 87 100 99 3.7-4.7 5254/3.2=47, ~5253=41...(26) QG1 VAL 65 - QG1 VAL 41 far 0 68 0 - 6.9-8.6 HG13 ILE 40 - QG1 VAL 41 far 0 65 0 - 7.3-7.5 Violated in 12 structures by 0.10 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 1.9-4.6 5256=75, 1.8/5258=61...(18) Violated in 3 structures by 0.02 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 2.0-3.5 1.8/4389=70, 4446=69...(21) HB2 ASP 46 - QD2 LEU 43 far 0 76 0 - 6.3-7.9 HB3 ASN 49 - QD2 LEU 43 far 0 100 0 - 7.9-10.2 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 6 assignments used, quality = 1.00: HE3 LYS 39 + QD2 LEU 43 OK 98 99 100 98 3.6-6.2 3.0/5213=46, 5115/2.1=43...(14) HE2 LYS 39 + QD2 LEU 43 OK 92 99 95 98 3.1-6.5 3.0/5213=46, 5115/2.1=45...(14) HB3 TYR 81 - QD2 LEU 43 far 0 99 0 - 6.5-22.9 HE3 LYS 13 - QD2 LEU 43 far 0 85 0 - 6.9-28.3 HE2 LYS 13 - QD2 LEU 43 far 0 87 0 - 7.8-28.7 HE3 LYS 75 - QD2 LEU 43 far 0 71 0 - 9.9-20.6 Violated in 2 structures by 0.02 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 2.0-5.0 4442=100, 1.8/4380=81...(20) HB3 ASN 49 - HB3 LEU 43 far 0 95 0 - 8.2-9.6 Violated in 2 structures by 0.03 A. Peak 4913 from cnoeabs.peaks (2.90, 0.83, 26.57 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.98: HB3 PHE 48 + QD1 LEU 43 OK 92 92 100 100 3.3-5.2 3.0/4468=86, 2.5/4370=85...(24) HB3 PHE 35 + QD1 LEU 43 OK 70 93 100 75 5.1-6.2 4865/4520=54, 4478=18...(7) HB2 ASN 49 - QD1 LEU 43 far 0 100 0 - 6.8-8.2 Violated in 1 structures by 0.00 A. Peak 4914 from cnoeabs.peaks (2.66, 0.83, 26.57 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 47 + QD1 LEU 43 OK 99 99 100 100 2.1-5.6 4447=93, 4446/2.1=81...(18) HB3 ASN 49 - QD1 LEU 43 far 0 87 0 - 7.5-9.0 Violated in 5 structures by 0.24 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 3.7-5.6 4917/2.1=90, 5641/2.1=47...(13) Violated in 9 structures by 0.22 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 1.8-3.3 4520=78, 4916/2.1=46...(21) Violated in 0 structures by 0.00 A. Peak 4918 from cnoeabs.peaks (7.26, 0.94, 22.80 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.99: H ASP 47 + QD2 LEU 43 OK 97 97 100 100 4.2-5.4 637/4907=81, 638/4389=81...(15) H ILE 40 + QD2 LEU 43 OK 66 92 75 96 5.9-6.9 ~5125=50, ~5123=36...(12) HE ARG 54 - QD2 LEU 43 far 5 99 5 - 6.1-10.8 Violated in 1 structures by 0.00 A. Peak 4919 from cnoeabs.peaks (7.08, 0.94, 22.80 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 48 + QD2 LEU 43 OK 98 98 100 100 4.4-6.3 4370/2.1=89, 644/4460=64...(18) QD TYR 81 - QD2 LEU 43 far 5 100 5 - 4.6-20.9 Violated in 16 structures by 0.67 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 3.0-4.8 2.5/4475=85, 4370/3.1=84...(17) QD TYR 81 - HB2 LEU 43 far 5 96 5 - 6.2-23.2 Violated in 0 structures by 0.00 A. Peak 4924 from cnoeabs.peaks (1.71, 3.67, 50.94 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.97: HB2 LEU 43 + HD3 PRO 44 OK 97 97 100 100 3.9-4.9 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 3 assignments used, quality = 0.93: HB2 LEU 43 + HD2 PRO 44 OK 93 93 100 100 3.8-5.1 4.8=100 HB2 ARG 82 - HD2 PRO 44 far 0 90 0 - 8.6-29.6 HB3 LYS 13 - HD2 PRO 44 far 0 60 0 - 9.0-39.4 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 4.2-5.2 919/3.5=96, 4424/3.2=80...(16) H ILE 40 - HA VAL 45 far 0 73 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4934 from cnoeabs.peaks (2.37, 4.39, 56.46 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 50 + HA ASP 47 OK 100 100 100 100 3.5-5.6 4511=100, 655/4506=89...(10) Violated in 0 structures by 0.00 A. Peak 4935 from cnoeabs.peaks (0.83, 3.13, 38.68 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + HB2 PHE 48 OK 100 100 100 100 4.0-5.5 4468/3.0=91, 4370/2.5=91...(22) QG2 ILE 68 - HB2 PHE 48 far 0 81 0 - 7.6-10.2 Violated in 6 structures by 0.04 A. Peak 4936 from cnoeabs.peaks (2.05, 3.13, 38.68 ppm; 5.88 A): 5 out of 7 assignments used, quality = 1.00: HG2 PRO 44 + HB2 PHE 48 OK 96 100 100 96 5.2-6.0 4394/4428=53...(12) HB VAL 45 + HB2 PHE 48 OK 85 85 100 100 5.1-6.5 2.1/4409=95, 3.0/4407=88...(15) HD3 ARG 69 + HB2 PHE 48 OK 76 90 100 84 3.6-7.3 5823/2.5=42, ~5823=37...(5) HD2 ARG 69 + HB2 PHE 48 OK 72 90 95 84 2.9-7.7 5823/2.5=42, ~5823=37...(5) HB2 GLU 50 + HB2 PHE 48 OK 72 99 95 76 6.2-8.6 4480/177=49...(4) HB3 GLU 50 - HB2 PHE 48 far 5 99 5 - 7.1-8.5 HB VAL 76 - HB2 PHE 48 far 0 100 0 - 8.7-17.3 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 3.6-6.1 4962/3.7=91, 4501/655=50...(8) QB ALA 53 - HG2 GLU 59 far 0 62 0 - 8.5-14.1 HG3 LYS 39 - HG2 GLU 50 far 0 90 0 - 8.9-14.1 Violated in 8 structures by 0.20 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 3.1-3.8 4687=96, 5776/3.6=45...(15) H LEU 52 + HA GLU 50 OK 92 98 100 94 3.9-4.7 924/3.6=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 3 assignments used, quality = 0.98: H LEU 51 + HG2 GLU 50 OK 97 97 100 100 3.1-5.2 192/1.8=88, 923/655=82...(9) H ARG 54 + HG2 GLU 50 OK 22 97 30 77 4.7-7.9 3.6/4938=57, 3851/3.7=33...(4) HD21 ASN 80 - HG2 GLU 50 far 0 100 0 - 9.9-32.2 Violated in 1 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 3.5-4.3 4638=99, 4533/2245=95...(14) Violated in 0 structures by 0.00 A. Peak 4946 from cnoeabs.peaks (7.68, 0.62, 23.89 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.94: H TYR 55 + QD1 LEU 51 OK 94 95 100 100 4.0-6.0 4627/4531=65...(14) Violated in 8 structures by 0.13 A. Peak 4948 from cnoeabs.peaks (2.98, 0.19, 24.73 ppm; 5.17 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + QD2 LEU 51 OK 99 99 100 100 1.9-6.1 3.6/6087=58, 4.7/5205=55...(14) HE2 LYS 39 + QD2 LEU 51 OK 93 98 95 100 1.9-6.9 3.6/6087=58, 4.7/5205=55...(19) HE3 LYS 13 - QD2 LEU 51 far 4 83 5 - 6.5-24.8 HE2 LYS 13 - QD2 LEU 51 far 0 85 0 - 7.9-25.2 Violated in 1 structures by 0.03 A. Peak 4949 from cnoeabs.peaks (2.05, 0.62, 23.89 ppm; 5.48 A): 2 out of 7 assignments used, quality = 0.99: HB3 GLU 50 + QD1 LEU 51 OK 88 97 100 91 4.9-6.5 4.7/663=68, 5679/2245=36...(6) HB2 GLU 50 + QD1 LEU 51 OK 87 97 100 90 4.7-6.8 4.7/663=68, 5679/2245=36...(5) HG2 PRO 44 - QD1 LEU 51 far 0 100 0 - 7.5-9.1 HD3 ARG 69 - QD1 LEU 51 far 0 83 0 - 8.0-11.5 HG2 PRO 56 - QD1 LEU 51 far 0 95 0 - 8.1-10.8 HD2 ARG 69 - QD1 LEU 51 far 0 83 0 - 8.2-12.1 HB3 PRO 56 - QD1 LEU 51 far 0 85 0 - 9.4-11.5 Violated in 1 structures by 0.02 A. Peak 4950 from cnoeabs.peaks (2.03, 1.32, 41.26 ppm; 5.53 A): 2 out of 13 assignments used, quality = 1.00: HB3 GLU 50 + HB2 LEU 51 OK 97 99 100 98 5.0-6.2 4.7/2216=79, 3.9/5676=39...(9) HB2 GLU 50 + HB2 LEU 51 OK 97 99 100 98 4.4-6.6 4.7/2216=79, 3.9/5676=39...(8) HG2 ARG 66 - HB2 LEU 52 poor 19 39 70 68 5.2-9.9 ~5970=51, ~4555=19...(4) HG2 PRO 44 - HB2 LEU 51 far 0 93 0 - 7.3-9.7 HD2 ARG 69 - HB2 LEU 51 far 0 100 0 - 7.9-13.0 HG2 ARG 66 - HB2 LEU 51 far 0 76 0 - 7.9-14.7 HD3 ARG 69 - HB2 LEU 51 far 0 100 0 - 7.9-12.4 HB2 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.1-8.9 HB3 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.2-8.9 HD3 ARG 69 - HB2 LEU 52 far 0 60 0 - 8.3-12.8 HB3 PRO 56 - HB2 LEU 52 far 0 61 0 - 8.5-10.7 HD2 ARG 69 - HB2 LEU 52 far 0 60 0 - 8.6-12.4 HG2 PRO 56 - HB2 LEU 52 far 0 60 0 - 9.0-11.2 Violated in 1 structures by 0.01 A. Peak 4951 from cnoeabs.peaks (0.91, 1.47, 40.92 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.97: HG LEU 51 + HB3 LEU 52 OK 85 90 95 99 5.2-6.8 197/667=69, 4952/3.1=56...(13) QD2 LEU 62 + HB3 LEU 52 OK 78 78 100 100 2.5-5.6 5004/1.8=76, 4680/3.1=69...(15) QG2 ILE 40 - HB3 LEU 52 far 4 78 5 - 6.2-8.3 QG1 VAL 76 - HB3 LEU 52 far 0 95 0 - 9.7-20.1 Violated in 1 structures by 0.00 A. Peak 4952 from cnoeabs.peaks (0.90, 0.51, 22.90 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.91: HG LEU 51 + QD2 LEU 52 OK 83 100 95 88 2.5-5.7 197/670=31, 3.0/4953=22...(14) QD1 LEU 62 + QD2 LEU 52 OK 44 76 60 96 3.3-6.5 2.1/5237=56, ~4680=33...(19) HG12 ILE 68 - QD2 LEU 52 far 0 73 0 - 6.3-10.0 QG1 VAL 76 - QD2 LEU 52 far 0 73 0 - 7.7-14.8 QG2 VAL 76 - QD2 LEU 52 far 0 73 0 - 8.4-14.1 QD1 LEU 86 - QD2 LEU 52 far 0 98 0 - 9.0-29.3 Violated in 10 structures by 0.02 A. Peak 4953 from cnoeabs.peaks (1.60, 0.51, 22.90 ppm; 4.67 A): 2 out of 8 assignments used, quality = 0.99: HB3 LEU 51 + QD2 LEU 52 OK 99 100 100 99 2.4-4.7 196/670=73, 3.0/4952=56...(13) HB3 LEU 62 + QD2 LEU 52 OK 48 97 50 100 4.4-7.4 3.1/5237=78, 3.0/5309=51...(17) HD3 LYS 39 - QD2 LEU 52 far 9 89 10 - 4.9-8.7 HG3 ARG 54 - QD2 LEU 52 far 8 76 10 - 5.1-8.2 HD2 LYS 39 - QD2 LEU 52 far 5 90 5 - 5.8-9.2 HG3 ARG 70 - QD2 LEU 52 far 0 95 0 - 8.1-12.4 HD2 LYS 73 - QD2 LEU 52 far 0 97 0 - 8.7-14.8 HD3 LYS 73 - QD2 LEU 52 far 0 97 0 - 8.8-14.3 Violated in 0 structures by 0.00 A. Peak 4954 from cnoeabs.peaks (1.75, 0.51, 22.90 ppm; 5.36 A): 5 out of 7 assignments used, quality = 1.00: HB2 LEU 57 + QD2 LEU 52 OK 81 81 100 100 3.7-5.9 3.1/4554=96, 3.1/5751=71...(21) HG2 PRO 34 + QD2 LEU 52 OK 79 93 100 85 4.6-6.8 4242/6096=50...(7) HB2 LEU 62 + QD2 LEU 52 OK 75 100 75 100 4.7-7.5 3.1/5237=91, 3.0/5309=66...(19) HB2 ARG 54 + QD2 LEU 52 OK 54 83 95 69 5.4-7.5 5307/206=41...(5) HB2 LEU 43 + QD2 LEU 52 OK 30 81 80 47 5.6-7.5 4921/5361=46 HB ILE 33 - QD2 LEU 52 far 4 76 5 - 6.7-8.9 HB2 LYS 32 - QD2 LEU 52 far 0 63 0 - 9.0-12.1 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 2.8-4.5 2.1/4728=94, 2.1/4726=94...(14) HG2 GLU 50 - QD2 LEU 52 far 0 99 0 - 7.1-9.1 HG2 GLU 59 - QD2 LEU 52 far 0 81 0 - 8.5-12.6 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 = 0.87: HG2 ARG 66 + QD1 LEU 52 OK 87 96 100 91 2.5-6.6 1.8/5970=68...(6) HB3 GLN 79 - QD1 LEU 52 far 5 100 5 - 6.7-22.2 QE MET 31 - QD1 LEU 52 far 0 98 0 - 7.1-9.4 HB2 LEU 64 - QD1 LEU 52 far 0 65 0 - 7.2-9.4 HG LEU 43 - QD1 LEU 52 far 0 97 0 - 8.1-10.1 Violated in 3 structures by 0.13 A. Peak 4957 from cnoeabs.peaks (3.92, 0.44, 24.59 ppm; 5.33 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 62 + QD1 LEU 52 OK 100 100 100 100 3.3-5.1 2593/4680=87...(11) HA LEU 51 + QD1 LEU 52 OK 67 68 100 99 5.8-6.6 3.6/669=84, 5674/3866=38...(9) HA THR 37 - QD1 LEU 52 far 0 89 0 - 7.7-9.7 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 9 assignments used, quality = 1.00: HB3 LEU 62 + QD1 LEU 52 OK 100 100 100 100 3.8-5.8 3.1/4680=94, ~5237=67...(17) HB3 LEU 51 + QD1 LEU 52 OK 96 97 100 100 4.2-6.1 196/669=86, 4953/2.1=58...(16) HG LEU 62 + QD1 LEU 52 OK 78 78 100 100 2.6-4.9 2.1/4680=100, ~5237=81...(15) HG3 ARG 54 - QD1 LEU 52 far 5 96 5 - 6.9-9.0 HD3 LYS 39 - QD1 LEU 52 far 0 99 0 - 7.2-11.0 HG3 ARG 70 - QD1 LEU 52 far 0 73 0 - 7.3-11.4 HD2 LYS 39 - QD1 LEU 52 far 0 100 0 - 7.8-11.0 HD3 LYS 73 - QD1 LEU 52 far 0 78 0 - 8.3-14.4 HD2 LYS 73 - QD1 LEU 52 far 0 78 0 - 8.6-14.6 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 2.9-4.0 2.2/4538=81, 5361/2.1=69...(19) QD TYR 81 - QD1 LEU 52 far 0 98 0 - 8.6-21.9 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 8 assignments used, quality = 0.95: HA GLU 50 + QB ALA 53 OK 95 98 100 97 2.3-3.2 4502=74, 4549/673=48...(12) HA VAL 76 - QB ALA 78 poor 15 58 25 - 4.1-7.2 HA ARG 70 - QB ALA 78 far 3 29 10 - 4.6-16.1 HA2 GLY 21 - QB ALA 78 far 2 41 5 - 2.9-25.7 HA3 GLY 21 - QB ALA 78 far 2 40 5 - 3.5-24.9 HA ARG 66 - QB ALA 78 far 0 59 0 - 6.6-21.1 HA2 GLY 72 - QB ALA 78 far 0 55 0 - 7.4-15.5 HA ARG 66 - QB ALA 53 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 4967 from cnoeabs.peaks (1.40, 4.01, 57.13 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 53 + HA ARG 54 OK 99 100 100 99 3.9-4.1 209/3.0=77, 4.9=68...(9) 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 1.8-5.6 4634/3.0=94, 5950/1.8=84...(29) Violated in 1 structures by 0.00 A. Peak 4969 from cnoeabs.peaks (6.80, 1.31, 27.15 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.96: QE TYR 55 + HG2 ARG 54 OK 96 96 100 100 3.1-5.3 4644/3.0=89, 2.2/4968=71...(20) Violated in 3 structures by 0.00 A. Peak 4970 from cnoeabs.peaks (6.80, 1.55, 30.94 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 55 + HB3 ARG 54 OK 95 95 100 100 2.8-5.3 2.2/4634=97, 4644=95...(20) Violated in 1 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 2.0-3.9 4.6=100 HD3 PRO 56 + QD TYR 55 OK 100 100 100 100 3.5-4.7 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 2.0-4.0 4572=98, 4658/2.5=81...(20) HZ PHE 35 + HB2 TYR 55 OK 100 100 100 100 3.8-5.9 2.2/4572=79, ~4658=52...(17) HZ PHE 48 - HB2 TYR 55 far 0 99 0 - 8.8-10.6 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 3 assignments used, quality = 1.00: QE PHE 35 + HB3 TYR 55 OK 98 98 100 100 2.5-5.2 4572/1.8=95, 2.2/5716=93...(20) HZ PHE 35 + HB3 TYR 55 OK 78 97 80 100 4.8-7.4 3.8/5716=74, ~4572=72...(18) HZ PHE 48 - HB3 TYR 55 far 0 96 0 - 10.0-12.3 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 2.0-3.8 2.2/4629=100, 4658=96...(23) HZ PHE 35 + QD TYR 55 OK 97 97 100 100 4.4-5.9 2.2/4658=98, 3.8/4629=91...(19) HZ PHE 48 - QD TYR 55 far 0 96 0 - 8.4-10.4 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 2.0-2.5 3.8=58, 4576/1.8=35...(15) HA TYR 55 + HD3 PRO 56 OK 95 98 100 97 2.3-2.3 3.8=58, 4576/1.8=35...(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 3.7-5.6 6069/3.1=82, 3.0/4618=62...(21) Violated in 3 structures by 0.03 A. Peak 4982 from cnoeabs.peaks (1.56, 1.77, 44.00 ppm; 4.05 A): 2 out of 6 assignments used, quality = 0.99: HG LEU 62 + HB2 LEU 57 OK 99 100 100 99 2.2-4.4 4983/1.8=50, 5747/3.8=42...(15) HB3 LEU 62 + HB2 LEU 57 OK 33 73 45 99 4.8-6.8 3.0/4981=43, ~4599=33...(18) HG3 ARG 54 - HB2 LEU 57 far 0 96 0 - 7.1-11.3 HG LEU 64 - HB2 LEU 57 far 0 73 0 - 7.7-11.2 HB3 ARG 54 - HB2 LEU 57 far 0 90 0 - 8.1-11.1 HD3 LYS 39 - HB2 LEU 57 far 0 87 0 - 10.0-14.7 Violated in 2 structures by 0.02 A. Peak 4983 from cnoeabs.peaks (1.57, 1.47, 44.00 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 62 + HB3 LEU 57 OK 99 100 100 99 2.9-4.7 2.1/4599=63, 4982/1.8=62...(14) HB3 LEU 62 + HB3 LEU 57 OK 37 83 45 100 4.6-6.7 3.1/4599=54, 4.0/4619=36...(20) HG LEU 64 - HB3 LEU 57 far 0 63 0 - 6.1-9.9 HG3 ARG 54 - HB3 LEU 57 far 0 99 0 - 8.6-12.1 HB3 ARG 54 - HB3 LEU 57 far 0 83 0 - 9.7-11.5 Violated in 3 structures by 0.03 A. Peak 4985 from cnoeabs.peaks (1.65, 0.71, 23.03 ppm; 4.13 A): 1 out of 7 assignments used, quality = 0.96: HB3 GLN 61 + QD2 LEU 57 OK 96 96 100 100 2.0-4.1 1.8/4602=68, 4663=46...(24) HG2 ARG 27 - QD2 LEU 57 far 0 90 0 - 8.8-13.2 HG3 ARG 27 - QD2 LEU 57 far 0 92 0 - 8.9-13.2 HG3 ARG 17 - QD2 LEU 57 far 0 63 0 - 9.0-22.8 HD3 LYS 13 - QD2 LEU 57 far 0 87 0 - 9.1-22.4 HD2 LYS 13 - QD2 LEU 57 far 0 87 0 - 9.8-21.6 HG2 ARG 17 - QD2 LEU 57 far 0 60 0 - 9.9-23.2 Violated in 0 structures by 0.00 A. Peak 4986 from cnoeabs.peaks (1.35, 1.00, 27.02 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.96: HB2 LEU 52 + QD1 LEU 57 OK 96 97 100 100 1.9-3.6 3.1/4613=75, 3.0/4551=72...(15) HB2 LEU 51 - QD1 LEU 57 poor 14 71 20 - 4.5-7.6 QB ALA 28 - QD1 LEU 57 far 0 99 0 - 6.4-8.2 HG3 ARG 69 - QD1 LEU 57 far 0 57 0 - 7.9-11.1 HG3 LYS 32 - QD1 LEU 57 far 0 87 0 - 8.3-11.4 QB ALA 16 - QD1 LEU 57 far 0 95 0 - 8.4-16.3 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 7 assignments used, quality = 1.00: QG2 VAL 65 + QD1 LEU 57 OK 98 100 100 98 2.0-3.4 4726/4613=41...(23) HG LEU 52 + QD1 LEU 57 OK 87 89 100 98 3.4-4.7 2.1/4554=61, 3.0/4986=38...(15) QG1 VAL 65 + QD1 LEU 57 OK 79 83 100 96 2.5-3.5 2.1/4707=39...(19) HG13 ILE 40 - QD1 LEU 57 far 4 85 5 - 4.8-6.7 HG13 ILE 33 - QD1 LEU 57 far 0 99 0 - 5.1-7.7 HG2 ARG 69 - QD1 LEU 57 far 0 63 0 - 8.6-11.4 QG2 THR 15 - QD1 LEU 57 far 0 81 0 - 9.0-19.2 Violated in 0 structures by 0.00 A. Peak 4988 from cnoeabs.peaks (7.45, 0.71, 23.03 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.99: HE21 GLN 61 + QD2 LEU 57 OK 97 97 100 100 2.1-4.6 4.6/4985=64, 4.6/4602=60...(20) H LEU 52 + QD2 LEU 57 OK 48 85 60 95 5.6-7.3 ~4551=59, ~4607=55...(6) H LEU 64 - QD2 LEU 57 poor 15 60 25 - 5.6-7.9 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 3.2-4.4 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 3.8-5.8 218/693=97, 4.8/6132=63 Violated in 2 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...(8) 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 3.0-3.5 4689=56, 726/4647=42...(9) HB3 LEU 57 - HA SER 60 far 0 93 0 - 7.7-8.2 Violated in 2 structures by 0.00 A. Peak 4996 from cnoeabs.peaks (2.10, 3.84, 62.16 ppm; 5.46 A): 6 out of 7 assignments used, quality = 0.99: HB2 GLU 59 + HB3 SER 60 OK 71 99 100 72 5.6-6.7 238/3.8=39, ~4997=30...(4) HB3 GLU 59 + HB3 SER 60 OK 68 99 95 73 4.8-7.0 238/3.8=39, ~4997=31...(4) HB2 GLU 59 + HB2 SER 60 OK 68 99 95 72 5.1-7.0 238/3.8=39, ~4997=30...(4) HB3 GLU 59 + HB2 SER 60 OK 61 99 85 73 5.0-7.2 238/3.8=39, ~4997=31...(4) HB3 MET 31 + HB2 SER 60 OK 27 60 90 50 4.1-7.1 4.3/5078=42, 1536/4.4=8 HB3 MET 31 + HB3 SER 60 OK 23 60 80 48 5.1-8.4 4.3/5078=40, 1536/4.4=8 HB2 PRO 56 - HB2 SER 60 far 0 97 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 4997 from cnoeabs.peaks (2.08, 4.28, 61.17 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.90: HB2 GLU 59 + HA SER 60 OK 68 95 100 72 4.8-5.3 238/3.0=35, ~239=26...(6) HB3 GLU 59 + HA SER 60 OK 68 95 100 72 3.8-5.6 238/3.0=35, ~239=26...(6) HB3 MET 31 - HA SER 60 far 10 99 10 - 6.0-8.3 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 2.1-3.3 4721=93, 2.1/4723=64...(12) HG2 GLU 59 - HA LEU 62 far 0 93 0 - 6.6-9.4 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 99 100 100 100 2.0-4.1 4722=84, 2.1/4998=62...(18) QG1 VAL 65 + HA LEU 62 OK 91 92 100 99 2.2-4.3 4723=70, 2.1/4998=62...(18) HG LEU 52 - HA LEU 62 far 0 78 0 - 5.8-7.7 HG13 ILE 40 - HA LEU 62 far 0 93 0 - 6.7-9.4 HG13 ILE 33 - HA LEU 62 far 0 100 0 - 7.0-8.9 HG2 ARG 69 - HA LEU 62 far 0 76 0 - 9.2-12.4 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 2.6-5.3 4998/2593=75...(15) HG2 GLU 59 + QD2 LEU 62 OK 34 63 60 91 4.5-8.3 4.2/5364=74, 4642/2.1=46...(5) HG2 GLU 50 - QD2 LEU 62 far 0 100 0 - 9.6-12.3 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 = 1.00: QG2 VAL 65 + QD2 LEU 62 OK 94 100 95 99 3.3-5.7 4722/2569=46...(23) QG1 VAL 65 + QD2 LEU 62 OK 81 83 100 98 2.0-5.1 4723/2569=40, 5034=38...(21) HG LEU 52 + QD2 LEU 62 OK 66 89 75 99 3.8-6.0 2.1/4680=68, 2.1/5237=68...(16) HG13 ILE 40 - QD2 LEU 62 far 0 85 0 - 7.1-10.0 HG2 ARG 69 - QD2 LEU 62 far 0 63 0 - 7.8-10.9 HG13 ILE 33 - QD2 LEU 62 far 0 99 0 - 8.2-10.1 Violated in 4 structures by 0.06 A. Peak 5004 from cnoeabs.peaks (1.33, 0.93, 24.73 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.97: HB2 LEU 52 + QD2 LEU 62 OK 97 99 100 99 2.1-4.9 3.1/4680=65, 3.1/5237=64...(14) QG2 THR 58 - QD2 LEU 62 far 0 92 0 - 5.8-7.4 HB2 LEU 51 - QD2 LEU 62 far 0 99 0 - 6.8-10.4 QB ALA 28 - QD2 LEU 62 far 0 97 0 - 8.5-10.7 HG2 ARG 54 - QD2 LEU 62 far 0 81 0 - 8.8-11.6 Violated in 3 structures by 0.08 A. Peak 5005 from cnoeabs.peaks (1.49, 0.93, 24.73 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 52 + QD2 LEU 62 OK 95 96 100 100 2.5-5.6 1.8/5004=76, 3.1/4680=65...(15) QB ALA 63 + QD2 LEU 62 OK 94 100 95 99 4.4-5.6 726/3910=50, 5787/722=38...(23) HB3 LEU 57 + QD2 LEU 62 OK 75 89 85 99 2.6-5.9 4599=57, 4983/2.1=44...(19) Violated in 4 structures by 0.01 A. Peak 5006 from cnoeabs.peaks (1.20, 0.87, 24.45 ppm; 3.93 A): 2 out of 12 assignments used, quality = 0.65: QG2 VAL 65 + QD1 LEU 62 OK 41 98 45 94 4.4-6.0 4722/2600=48...(15) QG1 VAL 65 + QD1 LEU 62 OK 40 60 75 89 3.8-6.1 4723/2600=31...(13) HG LEU 52 - QD1 LEU 62 far 15 99 15 - 5.1-7.3 HG13 ILE 33 - QD1 LEU 86 far 4 76 5 - 4.5-39.0 QG2 THR 15 - QD1 LEU 29 lone 0 94 35 1 3.4-16.7 QG2 VAL 65 - QD1 LEU 86 far 0 86 0 - 6.9-31.4 HG13 ILE 33 - QD1 LEU 29 far 0 88 0 - 7.0-9.0 HG13 ILE 33 - QD1 LEU 62 far 0 90 0 - 8.0-11.1 HG13 ILE 40 - QD1 LEU 62 far 0 63 0 - 8.2-10.5 QG1 VAL 65 - QD1 LEU 86 far 0 48 0 - 8.5-29.8 HG13 ILE 40 - QD1 LEU 86 far 0 51 0 - 8.8-33.5 QG2 VAL 65 - QD1 LEU 29 far 0 96 0 - 9.0-10.6 Violated in 17 structures by 0.41 A. Peak 5007 from cnoeabs.peaks (2.05, 0.87, 24.45 ppm; 5.57 A): 3 out of 19 assignments used, quality = 1.00: HB3 GLU 25 + QD1 LEU 29 OK 97 99 100 98 3.3-5.6 ~4165=46, 4.7/5367=40...(16) HB2 GLU 25 + QD1 LEU 29 OK 97 99 100 98 4.5-6.4 ~4165=46, 4.7/5367=40...(16) HB2 GLU 87 + QD1 LEU 86 OK 33 65 75 68 4.2-7.7 3.0/3542=23, ~3528=22...(7) HB3 PRO 56 - QD1 LEU 62 poor 16 78 20 - 6.3-9.9 HB3 GLU 25 - QD1 LEU 86 far 4 90 5 - 4.1-38.6 HB2 GLU 25 - QD1 LEU 86 far 5 90 5 - 5.2-38.8 HB3 MET 31 - QD1 LEU 86 far 4 75 5 - 7.0-41.9 HB3 GLU 19 - QD1 LEU 29 lone 1 90 45 2 4.4-16.0 HB2 GLU 87 - QD1 LEU 29 far 0 76 0 - 7.1-42.2 HG2 PRO 56 - QD1 LEU 62 far 0 90 0 - 7.3-10.8 HB3 MET 31 - QD1 LEU 29 far 0 86 0 - 7.5-9.5 HB3 MET 31 - QD1 LEU 62 far 0 89 0 - 7.7-10.3 HB3 GLN 91 - QD1 LEU 86 far 0 81 0 - 8.1-16.2 HD2 ARG 69 - QD1 LEU 62 far 0 76 0 - 8.7-13.4 HB VAL 45 - QD1 LEU 86 far 0 82 0 - 8.8-27.0 HB3 GLU 50 - QD1 LEU 62 far 0 95 0 - 8.8-11.9 HD3 ARG 69 - QD1 LEU 62 far 0 76 0 - 9.0-14.0 HB2 GLU 50 - QD1 LEU 62 far 0 95 0 - 9.1-11.8 HD2 ARG 69 - QD1 LEU 86 far 0 62 0 - 10.0-32.0 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 6 assignments used, quality = 1.00: HG3 ARG 66 + QB ALA 63 OK 98 99 100 100 3.8-6.0 2.8/5009=60, ~4684=48...(16) HB3 LEU 64 + QB ALA 63 OK 97 97 100 99 3.8-4.9 730/263=76, 3.1/4681=57...(12) HB3 GLN 61 - QB ALA 63 far 6 63 10 - 6.0-6.6 HB2 ARG 82 - QB ALA 63 far 0 99 0 - 7.1-32.7 HG2 ARG 70 - QB ALA 63 far 0 81 0 - 8.0-9.7 HG2 ARG 23 - QB ALA 63 far 0 89 0 - 10.0-16.6 Violated in 2 structures by 0.00 A. Peak 5009 from cnoeabs.peaks (1.94, 1.49, 17.50 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: HB3 ARG 66 + QB ALA 63 OK 100 100 100 100 4.6-5.8 4684/2.1=83, ~5369=64...(15) HB2 MET 31 - QB ALA 63 far 0 100 0 - 6.4-8.8 HG13 ILE 68 - QB ALA 63 far 0 90 0 - 6.8-8.7 HB3 ARG 70 - QB ALA 63 far 0 92 0 - 7.4-11.0 HB2 ARG 70 - QB ALA 63 far 0 92 0 - 8.1-11.0 HG LEU 57 - QB ALA 63 far 0 92 0 - 9.2-10.0 Violated in 11 structures by 0.20 A. Peak 5012 from cnoeabs.peaks (7.96, 0.95, 23.35 ppm; 4.65 A): 3 out of 6 assignments used, quality = 0.93: H LEU 29 + QD1 LEU 64 OK 81 98 100 83 4.7-5.9 76/5013=49, 550/2.1=37...(6) H ALA 30 + QD1 LEU 64 OK 45 78 75 76 5.1-6.4 5538/5013=31, 85/2.1=29...(8) H ARG 69 + QD1 LEU 64 OK 29 78 50 74 5.6-7.4 4.7/6134=49, 5.0/6102=24...(6) H LYS 32 - QD1 LEU 64 poor 16 83 25 79 5.7-7.4 4.9/5310=43...(7) H ALA 63 - QD1 LEU 64 far 9 89 10 - 6.1-6.8 H ARG 70 - QD1 LEU 64 far 0 99 0 - 6.8-8.8 Violated in 16 structures by 0.17 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 3.1-4.3 5015/2.1=75, ~5162=58...(16) H GLU 25 - QD1 LEU 64 poor 8 97 35 25 5.7-7.6 52/5508=14, 4833/5022=5...(4) H SER 22 - QD1 LEU 64 far 0 100 0 - 8.6-10.6 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 ASP 67 + QD2 LEU 64 OK 98 100 100 98 5.2-6.5 4737/3.9=76, 4741/2.1=53...(9) H LYS 32 + QD2 LEU 64 OK 96 97 100 100 4.2-5.7 4.7/6121=70, 4.9/4198=65...(16) H LEU 29 + QD2 LEU 64 OK 78 78 100 100 4.4-5.8 3.6/5162=84, 4.6/5015=55...(16) H ILE 33 + QD2 LEU 64 OK 72 73 100 99 3.9-5.4 4.8/6122=71...(10) H ARG 70 - QD2 LEU 64 far 0 76 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 5015 from cnoeabs.peaks (8.21, 0.84, 25.67 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: H ALA 28 + QD2 LEU 64 OK 100 100 100 100 3.0-5.1 2.9/5162=88, 5013/2.1=73...(20) H GLU 25 - QD2 LEU 64 far 0 97 0 - 6.9-9.2 H THR 15 - QD2 LEU 64 far 0 99 0 - 9.5-19.5 H SER 22 - QD2 LEU 64 far 0 100 0 - 9.7-12.4 Violated in 1 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 4.2-5.0 934/2619=81...(14) H LYS 32 - HB2 LEU 64 far 4 83 5 - 6.7-9.4 H ALA 30 - HB2 LEU 64 far 0 78 0 - 7.7-9.6 H ARG 69 - HB2 LEU 64 far 0 78 0 - 7.7-9.5 H LEU 29 - HB2 LEU 64 far 0 98 0 - 7.8-9.5 H ARG 70 - HB2 LEU 64 far 0 99 0 - 9.4-10.8 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 = 0.97: HD3 ARG 27 + QD1 LEU 64 OK 82 100 100 82 2.1-5.2 3.5/5022=31, 3.5/5022=31...(13) HD2 ARG 27 + QD1 LEU 64 OK 82 100 100 82 2.2-4.0 3.5/5022=31, 3.5/5022=31...(11) HD3 ARG 71 - QD1 LEU 64 far 3 65 5 - 4.7-10.9 HD3 ARG 23 - QD1 LEU 64 far 0 99 0 - 6.5-11.5 HD2 ARG 26 - QD1 LEU 64 far 0 100 0 - 6.6-10.5 HD3 ARG 26 - QD1 LEU 64 far 0 100 0 - 6.7-10.7 HD2 ARG 23 - QD1 LEU 64 far 0 99 0 - 7.3-12.4 HD2 ARG 66 - QD1 LEU 64 far 0 90 0 - 7.3-10.5 HD3 ARG 66 - QD1 LEU 64 far 0 93 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 5020 from cnoeabs.peaks (2.85, 0.95, 23.35 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.96: HB3 ASP 67 + QD1 LEU 64 OK 96 98 100 98 3.0-4.7 1.8/4744=70...(7) HB2 PHE 35 - QD1 LEU 64 far 0 100 0 - 8.3-11.0 Violated in 8 structures by 0.07 A. Peak 5021 from cnoeabs.peaks (2.63, 0.84, 25.67 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: HG2 MET 31 + QD2 LEU 64 OK 100 100 100 100 1.8-3.4 4198=98, 1.8/4200=73...(26) HG2 GLN 61 + QD2 LEU 64 OK 24 63 45 84 3.2-6.7 4.0/4504=29, 3.0/5161=25...(9) HB2 ASP 38 - QD2 LEU 64 far 0 99 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 5022 from cnoeabs.peaks (1.85, 0.95, 23.35 ppm; 3.53 A): 2 out of 12 assignments used, quality = 0.99: HB2 ARG 27 + QD1 LEU 64 OK 93 100 100 93 1.9-4.2 5028/2.1=30, 5095=27...(18) HB3 ARG 27 + QD1 LEU 64 OK 92 100 100 92 1.9-4.4 5028/2.1=34, 5095=27...(15) HB2 ARG 71 - QD1 LEU 64 far 0 100 0 - 5.8-8.5 HB2 ARG 26 - QD1 LEU 64 far 0 73 0 - 6.6-8.1 HB3 ARG 71 - QD1 LEU 64 far 0 100 0 - 6.6-9.2 HB3 ARG 23 - QD1 LEU 64 far 0 99 0 - 6.7-10.2 HB3 ARG 26 - QD1 LEU 64 far 0 71 0 - 6.9-8.3 HB2 ARG 23 - QD1 LEU 64 far 0 98 0 - 7.3-10.1 HB2 ARG 66 - QD1 LEU 64 far 0 83 0 - 7.3-8.9 HB2 LYS 75 - QD1 LEU 64 far 0 95 0 - 7.7-17.5 HB2 LYS 39 - QD1 LEU 64 far 0 100 0 - 8.6-13.4 HB3 PRO 34 - QD1 LEU 64 far 0 87 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 5023 from cnoeabs.peaks (1.97, 0.95, 23.35 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.9-3.2 3.1=100 QE MET 31 + QD1 LEU 64 OK 72 87 85 97 2.8-5.7 5074/2.1=52, 5073=43...(18) HB3 ARG 70 - QD1 LEU 64 far 0 89 0 - 6.9-10.7 HB2 ARG 70 - QD1 LEU 64 far 0 89 0 - 7.7-10.9 HG2 PRO 14 - QD1 LEU 64 far 0 95 0 - 7.9-22.0 HG LEU 57 - QD1 LEU 64 far 0 89 0 - 8.2-11.2 HG3 PRO 14 - QD1 LEU 64 far 0 95 0 - 8.2-23.4 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 = 0.96: QD1 ILE 33 + HB2 LEU 64 OK 95 95 100 100 2.9-4.6 6122/3.1=86, 5026/1.8=78...(24) QD2 LEU 57 + HB2 LEU 64 OK 21 98 30 73 6.0-7.7 5795/3915=22...(10) 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 4.2-5.2 6122/3.1=91, 5025/1.8=67...(19) QD2 LEU 57 - HB3 LEU 64 far 0 100 0 - 7.0-9.2 Violated in 1 structures by 0.00 A. Peak 5027 from cnoeabs.peaks (4.26, 0.84, 25.67 ppm; 4.53 A): 2 out of 4 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 OK 22 87 35 72 5.2-7.7 4995/4681=44...(4) HA THR 15 - QD2 LEU 64 far 0 93 0 - 8.6-19.9 HA ASP 38 - QD2 LEU 64 far 0 85 0 - 8.7-12.2 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 15 assignments used, quality = 0.98: HB3 ARG 27 + QD2 LEU 64 OK 89 99 95 94 2.7-5.7 5022/2.1=35, 4.3/5015=26...(17) HB2 ARG 27 + QD2 LEU 64 OK 80 99 85 95 3.3-5.3 5022/2.1=36, 4.3/5015=26...(21) HB3 ARG 26 - QD2 LEU 64 far 0 83 0 - 7.1-8.7 HB2 ARG 71 - QD2 LEU 64 far 0 99 0 - 7.1-10.7 HB2 ARG 26 - QD2 LEU 64 far 0 85 0 - 7.2-8.8 HB3 ARG 71 - QD2 LEU 64 far 0 99 0 - 7.6-11.4 HB2 ARG 66 - QD2 LEU 64 far 0 92 0 - 8.1-9.0 HB3 ARG 23 - QD2 LEU 64 far 0 95 0 - 8.1-11.5 HB3 PRO 34 - QD2 LEU 64 far 0 95 0 - 8.1-9.4 HB2 MET 11 - QD2 LEU 64 far 0 73 0 - 8.8-30.2 HB3 PRO 14 - QD2 LEU 64 far 0 68 0 - 8.8-21.1 HB2 LYS 39 - QD2 LEU 64 far 0 99 0 - 8.8-12.6 HB2 ARG 23 - QD2 LEU 64 far 0 93 0 - 9.0-11.7 HB2 LYS 75 - QD2 LEU 64 far 0 87 0 - 9.1-17.9 HB2 ARG 17 - QD2 LEU 64 far 0 81 0 - 9.7-17.4 Violated in 4 structures by 0.04 A. Peak 5029 from cnoeabs.peaks (1.45, 0.84, 25.67 ppm; 4.00 A): 2 out of 8 assignments used, quality = 1.00: HG12 ILE 33 + QD2 LEU 64 OK 99 99 100 100 1.9-3.8 2.1/6122=83, 3628=44...(24) QB ALA 30 + QD2 LEU 64 OK 86 100 90 96 4.2-5.6 6116/4198=40...(17) HB3 LEU 57 - QD2 LEU 64 far 4 87 5 - 5.4-7.4 HG2 LYS 13 - QD2 LEU 64 far 0 65 0 - 8.6-24.7 HG3 LYS 13 - QD2 LEU 64 far 0 99 0 - 8.6-23.9 HB3 LEU 52 - QD2 LEU 64 far 0 76 0 - 9.4-11.5 HG3 LYS 85 - QD2 LEU 64 far 0 100 0 - 9.8-33.8 HG13 ILE 89 - QD2 LEU 64 far 0 97 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 5030 from cnoeabs.peaks (1.22, 0.84, 25.67 ppm; 3.67 A): 3 out of 7 assignments used, quality = 1.00: HG13 ILE 33 + QD2 LEU 64 OK 98 100 100 98 1.9-3.9 2.1/6122=74, 1.8/3628=35...(19) QG2 VAL 65 + QD2 LEU 64 OK 98 100 100 98 2.5-4.5 2669/269=45, 5965=37...(28) QG1 VAL 65 + QD2 LEU 64 OK 33 87 40 94 4.4-5.7 4.0/269=38, 2.1/5965=27...(24) HG13 ILE 40 - QD2 LEU 64 far 0 89 0 - 5.9-8.2 QG2 THR 15 - QD2 LEU 64 far 0 76 0 - 6.1-17.6 HG LEU 52 - QD2 LEU 64 far 0 85 0 - 8.7-10.6 HG2 ARG 69 - QD2 LEU 64 far 0 68 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 5031 from cnoeabs.peaks (6.65, 1.23, 22.65 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + QG1 VAL 65 OK 99 100 100 100 3.6-6.6 6096/4728=54...(18) Violated in 12 structures by 0.37 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 3.0-3.7 4759/4761=78, 5793=75...(28) HG LEU 62 - HA VAL 65 far 8 78 10 - 6.3-8.4 HG2 LYS 39 - HA VAL 65 far 0 100 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 5033 from cnoeabs.peaks (1.03, 3.63, 67.03 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + HA VAL 65 OK 100 100 100 100 2.2-3.6 5247/4761=55, 1958=39...(29) HG3 PRO 34 - HA VAL 65 far 0 95 0 - 7.1-9.1 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 7 assignments used, quality = 1.00: QG2 ILE 40 + QG1 VAL 65 OK 97 99 100 99 1.9-4.2 4323/4718=40...(39) QD2 LEU 62 + QG1 VAL 65 OK 85 99 90 96 2.0-5.1 2593/4723=40...(18) HG12 ILE 68 - QG1 VAL 65 far 15 100 15 - 3.9-7.4 QG2 VAL 41 - QG1 VAL 65 far 0 95 0 - 5.2-7.1 QD2 LEU 43 - QG1 VAL 65 far 0 76 0 - 7.3-9.5 QG1 VAL 76 - QG1 VAL 65 far 0 100 0 - 7.4-14.0 QG2 VAL 76 - QG1 VAL 65 far 0 100 0 - 7.6-13.2 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 96 97 100 99 2.0-4.5 5033/3.2=38, 1962=31...(37) QD1 LEU 57 + QG1 VAL 65 OK 65 71 100 92 2.5-3.5 2.1/4729=28...(17) HG3 PRO 34 - QG1 VAL 65 far 4 76 5 - 4.7-6.9 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 2 assignments used, quality = 0.97: H ARG 66 + HG2 ARG 66 OK 97 97 100 100 2.0-3.4 743=97, 744/1.8=87...(16) H ARG 66 - HB3 GLN 79 far 0 84 0 - 7.5-23.2 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 2.1-3.6 744=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 3.8-5.1 743/3.0=94, 742/3.4=89...(19) H ARG 66 + HD3 ARG 66 OK 100 100 100 100 4.3-5.0 743/3.0=94, 742/3.4=89...(19) H ARG 66 - HD3 ARG 70 far 9 92 10 - 5.8-10.1 H ARG 66 - HD2 ARG 70 far 4 89 5 - 6.0-10.6 H ARG 66 - HD2 ARG 27 far 0 45 0 - 8.0-12.0 H ARG 66 - HD3 ARG 27 far 0 45 0 - 8.1-12.4 H ARG 66 - HD3 ARG 71 far 0 56 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 5041 from cnoeabs.peaks (7.61, 0.81, 17.06 ppm; 5.44 A): 2 out of 3 assignments used, quality = 0.98: H VAL 41 + QG2 ILE 68 OK 96 97 100 100 3.0-4.9 143/5249=73, 4.5/4753=71...(16) HD21 ASN 42 + QG2 ILE 68 OK 38 97 75 52 5.9-8.0 4363/1982=34...(4) HD21 ASN 74 - QG2 ILE 68 far 0 100 0 - 7.3-11.0 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 3.8-5.7 3.2/5247=89, 4753/2.9=83...(27) HB2 PRO 36 - QD1 ILE 68 poor 20 78 25 - 6.2-8.8 HG2 PRO 36 - QD1 ILE 68 far 0 98 0 - 7.1-9.8 HG3 PRO 36 - QD1 ILE 68 far 0 99 0 - 7.3-10.6 Violated in 6 structures by 0.08 A. Peak 5044 from cnoeabs.peaks (3.63, 1.92, 28.80 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.99: HA VAL 65 + HG13 ILE 68 OK 99 99 100 100 2.0-5.2 4761/2.1=95...(19) HA ARG 69 + HG13 ILE 68 OK 49 99 50 100 6.2-6.6 2.9/293=53, 4767/3.2=40...(19) HA ILE 40 - HG13 ILE 68 far 0 97 0 - 6.7-10.0 Violated in 1 structures by 0.00 A. Peak 5045 from cnoeabs.peaks (1.60, 3.51, 65.41 ppm; 5.83 A): 2 out of 7 assignments used, quality = 0.94: HG2 ARG 71 + HA ILE 68 OK 90 90 100 100 2.0-6.6 1.8/5985=86...(9) HG3 ARG 70 + HA ILE 68 OK 42 98 55 78 4.6-8.2 5.0/15389=68...(4) HG3 ARG 27 - HA ILE 68 poor 18 60 30 - 6.1-10.5 HG2 ARG 27 - HA ILE 68 poor 16 63 25 - 6.6-10.6 HD3 LYS 73 - HA ILE 68 far 0 99 0 - 7.8-11.3 HD2 LYS 73 - HA ILE 68 far 0 99 0 - 8.5-12.1 HG2 ARG 26 - HA ILE 68 far 0 87 0 - 10.0-14.5 Violated in 5 structures by 0.04 A. Peak 5047 from cnoeabs.peaks (3.97, 1.80, 29.46 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: HA ARG 66 + HB2 ARG 69 OK 97 100 100 97 2.5-4.4 4766/1.8=68, 5378/760=32...(13) HA2 GLY 72 - HB2 ARG 69 far 0 98 0 - 5.9-8.8 HA VAL 76 - HB2 ARG 69 far 0 100 0 - 7.8-14.6 Violated in 1 structures by 0.00 A. Peak 5048 from cnoeabs.peaks (3.98, 3.63, 59.20 ppm; 4.93 A): 3 out of 4 assignments used, quality = 1.00: HA ARG 66 + HA ARG 69 OK 99 100 100 99 5.1-6.3 5047/3.0=76, 4766/3.0=70...(15) HA2 GLY 72 + HA ARG 69 OK 83 90 95 97 3.2-6.5 3.0/15492=77...(18) HA ARG 70 + HA ARG 69 OK 75 76 100 99 4.6-4.8 3.6/5837=57, ~940=38...(16) HA VAL 76 - HA ARG 69 far 0 97 0 - 9.0-13.0 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 9 assignments used, quality = 0.97: HG2 ARG 70 + HA ASP 67 OK 97 98 100 99 2.0-4.7 5052=76, 770/4792=56...(15) HG3 ARG 66 - HA ASP 67 poor 16 78 20 - 3.2-6.5 HB3 LEU 64 - HA ASP 67 far 0 83 0 - 6.6-7.7 HB2 ARG 82 - HA ASP 67 far 0 76 0 - 8.1-32.3 HB2 LEU 43 - HA ASP 46 far 0 87 0 - 8.2-9.4 HB3 LYS 85 - HA ASP 67 far 0 100 0 - 8.5-34.9 HB2 ARG 84 - HA ASP 67 far 0 98 0 - 9.6-36.6 HB3 LYS 83 - HA ASP 67 far 0 100 0 - 9.7-32.3 HB2 LEU 62 - HA ASP 67 far 0 60 0 - 9.8-11.3 Violated in 2 structures by 0.02 A. Peak 5050 from cnoeabs.peaks (1.61, 4.48, 57.73 ppm; 4.72 A): 2 out of 13 assignments used, quality = 1.00: HG3 ARG 70 + HA ASP 67 OK 99 100 100 99 2.0-6.2 1.8/5049=84, 4.9/4792=50...(15) HG2 ARG 71 + HA ASP 67 OK 64 97 90 73 2.8-6.5 5.0/5838=37, 771/4792=24...(12) HB2 LEU 86 - HA ASP 67 far 0 99 0 - 6.5-41.3 HG3 ARG 84 - HA ASP 67 far 0 92 0 - 7.4-36.6 HB3 LEU 51 - HA ASP 46 far 0 85 0 - 7.9-9.1 HG3 ARG 27 - HA ASP 67 far 0 73 0 - 8.0-11.9 HG2 ARG 84 - HA ASP 67 far 0 92 0 - 8.1-35.5 HG2 ARG 27 - HA ASP 67 far 0 76 0 - 8.2-12.7 HD3 LYS 73 - HA ASP 67 far 0 100 0 - 8.4-12.7 HG LEU 86 - HA ASP 67 far 0 97 0 - 8.4-42.7 HB3 LEU 62 - HA ASP 67 far 0 83 0 - 8.5-10.0 HD2 LYS 73 - HA ASP 67 far 0 100 0 - 9.1-13.0 HD2 LYS 73 - HA ASP 46 far 0 89 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 5051 from cnoeabs.peaks (4.47, 1.95, 29.80 ppm; 3.72 A): 3 out of 7 assignments used, quality = 0.98: HA ASP 67 + HB3 ARG 70 OK 83 98 90 94 2.0-5.6 5049/2.9=43, 4792/4.1=39...(17) HA ASP 67 + HB2 ARG 70 OK 74 98 80 94 2.5-5.8 5049/2.9=43, 4792/4.1=39...(17) HA ASP 67 + HB3 ARG 66 OK 67 85 85 92 4.1-5.6 4742=34, 3.0/279=32...(17) HA TYR 81 - HB3 ARG 70 far 0 99 0 - 7.2-22.2 HA TYR 81 - HB2 ARG 70 far 0 99 0 - 8.2-22.3 HA ASP 24 - HB2 ARG 70 far 0 85 0 - 9.7-14.6 HA TYR 81 - HB3 ARG 66 far 0 86 0 - 9.7-27.5 Violated in 2 structures by 0.00 A. Peak 5052 from cnoeabs.peaks (4.48, 1.71, 27.11 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: HA ASP 67 + HG2 ARG 70 OK 100 100 100 100 2.0-4.7 5049=98, 4792/770=65...(15) HA ASP 24 - HG2 ARG 70 far 0 99 0 - 8.2-13.6 HA PRO 14 - HG2 ARG 70 far 0 71 0 - 9.4-36.9 HA TYR 81 - HG2 ARG 70 far 0 83 0 - 9.4-23.4 Violated in 0 structures by 0.00 A. Peak 5057 from cnoeabs.peaks (1.38, 2.78, 38.52 ppm; 4.94 A): 6 out of 29 assignments used, quality = 0.97: QB ALA 77 + HB3 ASN 74 OK 73 99 75 98 4.0-9.4 16040/3.0=89, ~16039=38...(9) QB ALA 78 + HB3 ASN 80 OK 39 67 75 78 3.7-7.9 5874/1.8=33, ~5869=23...(8) QB ALA 77 + HB2 ASN 74 OK 38 55 70 98 4.7-10.7 16040/3.0=89, ~16039=38...(7) HG2 LYS 75 + HB3 ASN 74 OK 34 99 55 63 3.4-8.5 4.8/335=35, 4.9/5855=17...(6) QB ALA 77 + HB3 ASN 80 OK 32 66 50 98 2.4-10.1 ~5859=68, ~15869=60...(10) HG3 LYS 75 + HB3 ASN 74 OK 31 99 50 63 3.6-8.5 4.8/335=35, 4.9/5855=17...(5) QB ALA 78 - HB3 ASN 74 poor 20 100 20 - 4.6-13.0 HG2 LYS 83 - HB3 ASN 80 poor 18 59 30 - 3.0-14.7 HG2 LYS 75 - HB2 ASN 74 poor 17 55 30 - 4.6-8.6 HG3 LYS 73 - HB3 ASN 74 poor 16 100 35 46 4.6-8.7 327/4.0=21, ~6053=17...(5) HG3 LYS 75 - HB2 ASN 74 poor 15 55 55 51 5.2-8.0 4.8/334=21, 4.9/5855=18...(4) HG3 LYS 73 - HB2 ASN 74 poor 14 56 60 43 2.9-7.7 327/4.0=21, ~6053=17...(4) HG3 LYS 73 - HB3 ASN 80 far 7 67 10 - 5.4-20.4 QB ALA 78 - HB2 ASN 74 far 6 56 10 - 5.8-14.1 QB ALA 20 - HB3 ASN 74 far 5 100 5 - 5.7-20.9 HG2 LYS 85 - HB3 ASN 80 far 3 67 5 - 5.5-19.0 HB3 ARG 69 - HB2 ASN 74 far 3 51 5 - 6.4-11.6 QB ALA 16 - HB2 ASN 74 far 0 37 0 - 6.6-27.5 QB ALA 20 - HB2 ASN 74 far 0 56 0 - 7.1-20.5 HB3 ARG 69 - HB3 ASN 74 far 0 96 0 - 7.2-13.0 QB ALA 16 - HB3 ASN 74 far 0 76 0 - 7.3-28.2 HG3 ARG 69 - HB2 ASN 74 far 0 56 0 - 7.9-12.2 HB3 ARG 69 - HB3 ASN 80 far 0 61 0 - 7.9-23.5 HG3 ARG 69 - HB3 ASN 80 far 0 67 0 - 8.1-22.7 HG3 ARG 69 - HB3 ASN 74 far 0 99 0 - 8.5-12.0 HG2 LYS 83 - HB2 ASN 74 far 0 49 0 - 8.7-26.6 QB ALA 53 - HB3 ASN 80 far 0 64 0 - 9.0-28.5 HG2 LYS 75 - HB3 ASN 80 far 0 66 0 - 9.1-19.3 HG3 LYS 75 - HB3 ASN 80 far 0 66 0 - 9.4-19.7 Violated in 0 structures by 0.00 A. Peak 5058 from cnoeabs.peaks (1.38, 2.81, 38.52 ppm; 4.91 A): 4 out of 19 assignments used, quality = 0.90: QB ALA 77 + HB2 ASN 74 OK 68 99 70 98 4.7-10.7 16040/3.0=89, ~16039=38...(7) QB ALA 77 + HB3 ASN 74 OK 40 55 75 98 4.0-9.4 16040/3.0=89, ~16039=38...(7) HG3 LYS 75 + HB2 ASN 74 OK 34 99 55 62 5.2-8.0 4.8/334=36, 4.9/5855=22...(4) HG3 LYS 73 + HB2 ASN 74 OK 23 100 55 43 2.9-7.7 327/4.0=21, ~6053=17...(4) HG3 LYS 73 - HB3 ASN 74 poor 20 56 35 - 4.6-8.7 HG2 LYS 75 - HB2 ASN 74 poor 18 99 30 62 4.6-8.6 4.8/334=36, 4.9/5855=22...(5) HG2 LYS 75 - HB3 ASN 74 poor 15 55 55 51 3.4-8.5 4.9/5855=20, 4.8/335=20...(5) HG3 LYS 75 - HB3 ASN 74 poor 14 55 50 51 3.6-8.5 4.9/5855=20, 4.8/335=20...(4) QB ALA 78 - HB3 ASN 74 poor 11 56 20 - 4.6-13.0 QB ALA 78 - HB2 ASN 74 far 10 100 10 - 5.8-14.1 HB3 ARG 69 - HB2 ASN 74 far 5 96 5 - 6.4-11.6 QB ALA 20 - HB3 ASN 74 far 3 56 5 - 5.7-20.9 QB ALA 16 - HB2 ASN 74 far 0 76 0 - 6.6-27.5 QB ALA 20 - HB2 ASN 74 far 0 100 0 - 7.1-20.5 HB3 ARG 69 - HB3 ASN 74 far 0 51 0 - 7.2-13.0 QB ALA 16 - HB3 ASN 74 far 0 37 0 - 7.3-28.2 HG3 ARG 69 - HB2 ASN 74 far 0 99 0 - 7.9-12.2 HG3 ARG 69 - HB3 ASN 74 far 0 56 0 - 8.5-12.0 HG2 LYS 83 - HB2 ASN 74 far 0 93 0 - 8.7-26.6 Violated in 3 structures by 0.13 A. Peak 5061 from cnoeabs.peaks (4.00, 1.82, 32.45 ppm; 4.68 A): 1 out of 6 assignments used, quality = 0.84: * HA ARG 70 + HB2 LYS 73 OK 84 100 90 93 3.3-6.3 5987/787=75, 5984/1.8=35...(13) HA ARG 70 - HB2 LYS 75 far 12 77 15 - 4.2-10.9 HB2 SER 22 - HB2 LYS 75 far 7 73 10 - 4.2-20.2 HA ARG 66 - HB2 LYS 73 far 0 71 0 - 7.7-12.5 HA PHE 48 - HB2 LYS 73 far 0 65 0 - 9.5-15.2 HB2 SER 22 - HB2 LYS 85 far 0 74 0 - 9.9-38.2 Violated in 9 structures by 0.44 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 8 assignments used, quality = 0.96: HB3 GLN 61 + QE MET 31 OK 89 97 95 97 3.3-6.0 3.0/5079=47, 1.8/5076=37...(18) HB3 LEU 64 + QE MET 31 OK 62 65 95 100 2.0-6.3 3.1/5074=69, 3.1/5073=59...(20) HG LEU 29 - QE MET 31 far 0 100 0 - 6.3-9.7 HG3 ARG 66 - QE MET 31 far 0 71 0 - 7.2-9.4 HB3 LYS 13 - QE MET 31 far 0 97 0 - 7.2-24.1 HD2 LYS 13 - QE MET 31 far 0 100 0 - 7.5-23.4 HD3 LYS 13 - QE MET 31 far 0 100 0 - 7.9-23.6 HG2 ARG 23 - QE MET 31 far 0 100 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. Peak 5071 from cnoeabs.peaks (1.46, 1.99, 16.73 ppm; 4.38 A): 3 out of 6 assignments used, quality = 0.99: QB ALA 30 + QE MET 31 OK 92 95 100 97 3.4-5.7 5305/3.3=51, 6116/3.3=51...(10) HG12 ILE 33 + QE MET 31 OK 77 93 85 97 3.9-6.7 2.1/5075=53...(15) QB ALA 63 + QE MET 31 OK 57 63 100 91 3.0-5.6 3.6/5082=56...(14) HB3 LEU 57 - QE MET 31 far 15 97 15 - 5.4-8.0 HG3 LYS 13 - QE MET 31 far 0 100 0 - 7.4-23.9 HG3 LYS 85 - QE MET 31 far 0 100 0 - 8.6-37.5 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 5 assignments used, quality = 0.91: QD1 LEU 64 + QE MET 31 OK 91 96 95 100 2.8-5.7 2.1/5074=84, 5310/3.3=43...(19) QD2 LEU 62 - QE MET 31 far 0 95 0 - 5.8-8.2 HG12 ILE 68 - QE MET 31 far 0 78 0 - 6.5-10.7 QG2 ILE 40 - QE MET 31 far 0 95 0 - 7.4-9.8 QG2 VAL 41 - QE MET 31 far 0 99 0 - 9.6-12.3 Violated in 7 structures by 0.27 A. Peak 5074 from cnoeabs.peaks (0.83, 1.99, 16.73 ppm; 3.45 A): 1 out of 6 assignments used, quality = 0.98: QD2 LEU 64 + QE MET 31 OK 98 98 100 100 1.8-3.6 2.1/5073=53, 4198/3.3=43...(26) QD2 LEU 29 - QE MET 31 far 0 98 0 - 6.8-8.5 QG2 ILE 68 - QE MET 31 far 0 65 0 - 7.0-10.0 QG2 ILE 89 - QE MET 31 far 0 99 0 - 7.3-39.7 QD1 ILE 89 - QE MET 31 far 0 71 0 - 7.9-39.6 QD2 LEU 86 - QE MET 31 far 0 100 0 - 8.8-35.5 Violated in 5 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 2.4-4.5 6122/5074=72...(23) QD2 LEU 57 + QE MET 31 OK 41 100 50 81 4.6-7.2 4672/5930=20...(15) Violated in 0 structures by 0.00 A. Peak 5076 from cnoeabs.peaks (2.50, 1.99, 16.73 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.96: HG3 MET 31 + QE MET 31 OK 83 83 100 100 2.4-3.4 3.3=100 HB2 GLN 61 + QE MET 31 OK 76 78 100 97 3.8-5.4 3.0/5079=47, 1.8/5070=44...(17) 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 2.1-3.4 3.3=100 HG2 GLN 61 + QE MET 31 OK 71 78 100 91 2.1-4.6 3.5/5930=28, 4.0/5079=28...(17) 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 = 0.83: HB2 SER 60 + QE MET 31 OK 60 97 100 62 2.0-4.6 4651=26, 1.8/4651=25...(6) HB3 SER 60 + QE MET 31 OK 57 97 95 62 2.0-4.9 4651=26, 1.8/4651=25...(6) HA LEU 52 - QE MET 31 far 0 71 0 - 9.2-11.7 Violated in 3 structures by 0.03 A. Peak 5079 from cnoeabs.peaks (3.96, 1.99, 16.73 ppm; 3.63 A): 2 out of 5 assignments used, quality = 0.99: HA GLN 61 + QE MET 31 OK 98 100 100 98 1.9-3.5 5232=53, 4687/5082=33...(22) HA ALA 28 + QE MET 31 OK 45 100 50 91 4.3-6.3 4173/5074=30...(14) HA LYS 32 - QE MET 31 far 0 93 0 - 5.8-7.6 HA ARG 66 - QE MET 31 far 0 93 0 - 8.1-10.6 HA THR 37 - QE MET 31 far 0 65 0 - 8.9-11.4 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 2.1-4.3 5189=99, 1529/3.3=66...(11) HA THR 58 - QE MET 31 far 4 89 5 - 5.5-8.8 Violated in 1 structures by 0.01 A. Peak 5081 from cnoeabs.peaks (4.27, 1.99, 16.73 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.97: HA SER 60 + QE MET 31 OK 86 100 100 87 3.1-4.5 3.0/5078=41, 3.0/5078=39...(8) HA LEU 64 + QE MET 31 OK 75 95 80 99 3.8-7.4 3.9/5074=63, 3.0/5082=62...(13) HA ALA 12 - QE MET 31 far 0 92 0 - 9.9-27.1 Violated in 0 structures by 0.00 A. Peak 5082 from cnoeabs.peaks (7.42, 1.99, 16.73 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: H LEU 64 + QE MET 31 OK 99 100 100 99 2.6-5.5 732/5074=59...(19) Violated in 7 structures by 0.10 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 3.0-5.1 3.0/5079=48, 4656=31...(22) H MET 31 + QE MET 31 OK 90 90 100 100 4.0-5.0 3.0/5189=63, 559/3.3=53...(16) Violated in 0 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 = 0.98: H LYS 32 + QE MET 31 OK 98 100 100 98 4.6-5.8 90/5189=78, 89/6.0=49...(10) H ASP 67 - QE MET 31 poor 20 99 20 - 6.1-9.2 H LEU 29 - QE MET 31 far 5 93 5 - 6.1-7.8 Violated in 18 structures by 0.37 A. Peak 5092 from cnoeabs.peaks (8.21, 2.27, 31.85 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.97: H THR 15 + HB2 PRO 14 OK 97 97 100 100 2.1-4.3 4.0=100 H ALA 28 - HB2 PRO 14 far 0 100 0 - 8.1-23.6 H ALA 12 - HB2 PRO 14 far 0 73 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 5094 from cnoeabs.peaks (3.91, 2.05, 29.32 ppm; 3.89 A): 4 out of 12 assignments used, quality = 0.90: HA LEU 51 + HB3 GLU 50 OK 49 51 100 96 4.1-5.4 3.0/189=32, 4944/3.9=24...(16) HA LEU 51 + HB2 GLU 50 OK 49 51 100 95 4.2-5.1 3.0/189=33, 4944/3.9=24...(15) HB3 SER 22 + HB2 GLU 25 OK 48 81 65 91 3.0-6.8 4155=29, 5498/3.0=29...(10) HB3 SER 22 + HB3 GLU 25 OK 25 81 35 90 2.4-8.1 5498/3.0=29, 4155/1.8=27...(10) HA3 GLY 18 - HB3 GLU 25 far 9 93 10 - 4.3-14.6 HA3 GLY 18 - HB2 GLU 25 far 5 93 5 - 4.7-14.4 HA2 GLY 18 - HB3 GLU 25 far 0 95 0 - 5.6-14.7 HA2 GLY 18 - HB2 GLU 25 far 0 94 0 - 6.3-14.4 HA THR 37 - HB3 GLU 25 far 0 81 0 - 6.6-10.0 HA THR 37 - HB2 GLU 25 far 0 81 0 - 7.3-10.4 HA ILE 33 - HB3 PRO 56 far 0 30 0 - 8.1-11.1 HA LEU 62 - HB3 PRO 56 far 0 51 0 - 9.7-12.2 Violated in 1 structures by 0.00 A. Peak 5095 from cnoeabs.peaks (0.95, 1.85, 30.20 ppm; 4.00 A): 4 out of 50 assignments used, quality = 1.00: QD1 LEU 64 + HB2 ARG 27 OK 98 99 100 98 1.9-4.2 5022=50, 5022/1.8=43...(18) QD1 LEU 64 + HB3 ARG 27 OK 97 99 100 98 1.9-4.4 5022=49, 5022/1.8=43...(15) QD2 LEU 62 + HB2 ARG 66 OK 21 45 75 61 3.7-7.0 5958/3.4=15, 5958/3.4=15...(11) HG12 ILE 68 + HB3 ARG 27 OK 20 63 55 59 3.7-6.9 2.1/5974=39, ~5974=19...(5) HG12 ILE 68 - HB2 ARG 27 poor 19 63 30 - 4.5-6.8 HG12 ILE 68 - HB2 ARG 71 poor 19 63 30 - 4.1-7.4 QG2 VAL 41 - HB2 ARG 71 poor 14 93 35 44 4.6-7.8 5055/4.4=24, 5834/4.0=14...(7) QG2 ILE 40 - HB2 ARG 66 poor 13 45 30 - 5.1-7.3 QG2 VAL 41 - HB3 ARG 71 far 9 93 10 - 5.4-8.8 HG12 ILE 68 - HB3 ARG 71 far 6 63 10 - 5.1-9.1 QG1 VAL 76 - HB3 ARG 71 far 3 63 5 - 4.9-11.6 QG1 VAL 76 - HB2 ARG 71 far 0 63 0 - 5.6-12.0 QG2 ILE 40 - HB2 ARG 71 far 0 85 0 - 5.7-8.6 QD1 LEU 64 - HB2 ARG 71 far 0 99 0 - 5.8-8.5 QG1 VAL 76 - HB2 ARG 66 far 0 31 0 - 5.9-15.6 QG2 VAL 76 - HB2 ARG 66 far 0 31 0 - 6.1-14.8 QD1 LEU 64 - HB2 ARG 26 far 0 55 0 - 6.6-8.1 QD1 LEU 64 - HB3 ARG 71 far 0 99 0 - 6.6-9.2 HG12 ILE 68 - HB2 ARG 66 far 0 31 0 - 6.6-9.7 QG2 VAL 76 - HB2 ARG 23 far 0 45 0 - 6.6-20.1 QD1 LEU 64 - HB3 ARG 23 far 0 81 0 - 6.7-10.2 HG12 ILE 68 - HB2 ARG 23 far 0 45 0 - 6.7-12.9 QD1 LEU 64 - HB3 ARG 26 far 0 52 0 - 6.9-8.3 QG2 ILE 40 - HB3 ARG 71 far 0 85 0 - 6.9-9.3 HG12 ILE 68 - HB3 ARG 23 far 0 45 0 - 7.1-12.8 QG2 VAL 76 - HB3 ARG 71 far 0 63 0 - 7.2-12.6 QG2 VAL 76 - HB2 ARG 71 far 0 63 0 - 7.3-12.5 QD1 LEU 64 - HB2 ARG 23 far 0 80 0 - 7.3-10.1 QD1 LEU 64 - HB2 ARG 66 far 0 59 0 - 7.3-8.9 QG2 ILE 40 - HB3 ARG 27 far 0 85 0 - 7.4-10.4 QG2 VAL 41 - HB2 ARG 66 far 0 52 0 - 7.6-9.1 HG12 ILE 68 - HB2 ARG 26 far 0 29 0 - 7.8-11.2 QG2 VAL 76 - HB3 ARG 23 far 0 45 0 - 7.8-19.3 QG2 VAL 76 - HB2 ARG 27 far 0 63 0 - 8.0-19.5 QD2 LEU 62 - HB3 PRO 34 far 0 35 0 - 8.1-11.9 QG2 VAL 41 - HB3 ARG 27 far 0 93 0 - 8.1-11.0 QG2 ILE 40 - HB2 ARG 27 far 0 85 0 - 8.1-11.0 QG2 VAL 76 - HB3 ARG 27 far 0 63 0 - 8.1-19.7 QG2 VAL 41 - HB2 ARG 27 far 0 93 0 - 8.5-11.1 QG1 VAL 76 - HB2 ARG 23 far 0 45 0 - 8.6-19.8 QG2 VAL 41 - HB2 ARG 23 far 0 72 0 - 8.6-12.6 QG2 ILE 40 - HB3 PRO 34 far 0 35 0 - 8.7-11.2 QG2 VAL 76 - HB2 ARG 26 far 0 29 0 - 8.7-22.2 HG12 ILE 68 - HB3 ARG 26 far 0 27 0 - 9.0-11.7 QD1 LEU 64 - HB3 PRO 34 far 0 47 0 - 9.3-12.0 QG2 VAL 41 - HB3 ARG 23 far 0 72 0 - 9.5-12.9 QG1 VAL 76 - HB3 ARG 23 far 0 45 0 - 9.8-19.1 QD2 LEU 62 - HB3 ARG 27 far 0 85 0 - 9.9-13.0 QG2 VAL 76 - HB3 ARG 26 far 0 27 0 - 10.0-22.8 QG1 VAL 76 - HB2 ARG 27 far 0 63 0 - 10.0-18.5 Violated in 0 structures by 0.00 A. Peak 5096 from cnoeabs.peaks (0.83, 1.85, 30.20 ppm; 4.03 A): 4 out of 49 assignments used, quality = 1.00: QD2 LEU 64 + HB2 ARG 27 OK 92 93 100 98 3.3-5.3 5028=44, 5028/1.8=42...(20) QD2 LEU 64 + HB3 ARG 27 OK 87 93 95 98 2.7-5.7 5028=49, 2.1/5022=41...(17) QG2 ILE 68 + HB2 ARG 71 OK 42 78 70 77 2.4-6.2 3.2/5392=23, ~5985=20...(11) QD2 LEU 29 + HB3 ARG 26 OK 26 46 60 94 3.7-6.0 5349/3.0=29, ~5929=28...(22) QG2 ILE 68 - HB3 ARG 71 poor 20 78 25 - 3.6-7.3 QD2 LEU 29 - HB2 ARG 26 poor 19 48 40 - 4.1-6.4 QG2 ILE 68 - HB3 ARG 27 far 12 78 15 - 5.0-7.9 QG2 ILE 68 - HB2 ARG 27 far 8 78 10 - 5.0-7.9 QD2 LEU 86 - HB2 ARG 26 far 3 56 5 - 4.2-42.9 QD2 LEU 86 - HB3 ARG 26 far 3 54 5 - 3.9-42.1 QD2 LEU 29 - HB3 ARG 27 far 0 93 0 - 5.6-7.6 QD2 LEU 29 - HB2 ARG 27 far 0 93 0 - 5.6-7.7 QD2 LEU 86 - HB2 ARG 27 far 0 100 0 - 5.9-40.8 QG2 ILE 89 - HB3 PRO 34 far 0 43 0 - 5.9-44.2 QD2 LEU 86 - HB3 ARG 27 far 0 100 0 - 6.6-41.1 QG2 ILE 68 - HB2 ARG 23 far 0 57 0 - 6.6-11.2 QD1 ILE 89 - HB3 ARG 26 far 0 38 0 - 6.7-47.5 QG2 ILE 68 - HB3 ARG 23 far 0 58 0 - 6.7-10.6 QD2 LEU 64 - HB3 ARG 26 far 0 46 0 - 7.1-8.7 QD2 LEU 64 - HB2 ARG 71 far 0 93 0 - 7.1-10.7 QG2 ILE 68 - HB2 ARG 66 far 0 40 0 - 7.2-8.1 QD2 LEU 64 - HB2 ARG 26 far 0 48 0 - 7.2-8.8 QD2 LEU 86 - HB2 ARG 66 far 0 60 0 - 7.3-34.7 QG2 ILE 68 - HB2 ARG 26 far 0 37 0 - 7.6-11.4 QD2 LEU 64 - HB3 ARG 71 far 0 93 0 - 7.6-11.4 QD1 ILE 89 - HB2 ARG 26 far 0 40 0 - 7.7-48.2 QD2 LEU 29 - HB3 ARG 23 far 0 72 0 - 7.7-11.2 QD1 ILE 89 - HB3 PRO 34 far 0 34 0 - 7.8-44.3 QD2 LEU 29 - HB2 ARG 23 far 0 72 0 - 7.9-11.1 QD1 ILE 89 - HB3 ARG 27 far 0 83 0 - 8.0-46.2 QD2 LEU 64 - HB2 ARG 66 far 0 52 0 - 8.1-9.0 QD1 LEU 43 - HB3 PRO 34 far 0 48 0 - 8.1-10.3 QD2 LEU 64 - HB3 ARG 23 far 0 72 0 - 8.1-11.5 QD2 LEU 64 - HB3 PRO 34 far 0 41 0 - 8.1-9.4 QD1 ILE 89 - HB2 ARG 27 far 0 83 0 - 8.1-45.8 QD2 LEU 29 - HB3 PRO 34 far 0 41 0 - 8.4-12.0 QG2 ILE 89 - HB3 ARG 26 far 0 49 0 - 8.6-48.2 QD2 LEU 86 - HB3 ARG 23 far 0 83 0 - 8.6-40.4 QG2 ILE 68 - HB3 ARG 26 far 0 36 0 - 8.7-11.4 QD2 LEU 86 - HB2 ARG 23 far 0 82 0 - 8.8-39.7 QG2 ILE 89 - HB3 ARG 27 far 0 97 0 - 8.9-46.7 QD2 LEU 64 - HB2 ARG 23 far 0 72 0 - 9.0-11.7 QD2 LEU 29 - HB3 ARG 71 far 0 93 0 - 9.3-15.6 QG2 ILE 89 - HB2 ARG 27 far 0 97 0 - 9.5-46.2 QD2 LEU 86 - HB2 ARG 71 far 0 100 0 - 9.6-34.6 QG2 ILE 89 - HB2 ARG 26 far 0 51 0 - 9.7-48.9 QD1 LEU 43 - HB2 ARG 66 far 0 60 0 - 9.7-12.0 QG2 ILE 68 - HB3 PRO 34 far 0 32 0 - 9.7-13.1 QD2 LEU 29 - HB2 ARG 71 far 0 93 0 - 10.0-15.0 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 44 assignments used, quality = 1.00: QD2 LEU 64 + HD3 ARG 27 OK 93 100 100 94 3.8-5.9 2.1/5019=41, 5028/3.5=36...(14) QD2 LEU 64 + HD2 ARG 27 OK 93 100 100 93 3.5-6.0 2.1/5019=41, 5028/3.5=36...(11) QD2 LEU 29 + HD2 ARG 26 OK 31 99 40 78 3.1-7.6 5349/4.8=26, 5375/3.5=19...(12) QD2 LEU 29 + HD3 ARG 26 OK 31 99 40 78 4.2-8.0 5349/4.8=26, 5375/3.5=19...(12) QD2 LEU 86 - HD2 ARG 84 poor 19 76 25 - 5.1-10.3 QD2 LEU 29 - HD3 ARG 17 far 15 97 15 - 4.9-23.2 QD2 LEU 86 - HD3 ARG 84 far 12 80 15 - 5.4-10.9 QD2 LEU 86 - HD2 ARG 26 far 5 98 5 - 4.9-42.4 QD2 LEU 86 - HD3 ARG 26 far 5 98 5 - 5.2-42.5 QD1 ILE 89 - HD2 ARG 84 far 4 40 10 - 4.9-18.0 QD2 LEU 29 - HD2 ARG 17 far 0 97 0 - 6.2-23.2 QD1 ILE 89 - HD3 ARG 84 far 0 43 0 - 6.3-16.9 QD2 LEU 64 - HD3 ARG 26 far 0 99 0 - 6.5-11.5 QD2 LEU 86 - HD2 ARG 82 far 0 74 0 - 6.7-15.8 QD2 LEU 64 - HD2 ARG 26 far 0 99 0 - 6.7-11.3 QG2 ILE 89 - HD2 ARG 84 far 0 78 0 - 7.0-18.1 QD2 LEU 29 - HD3 ARG 27 far 0 100 0 - 7.1-9.1 QD2 LEU 29 - HD2 ARG 27 far 0 100 0 - 7.4-9.0 QD2 LEU 64 - HD2 ARG 71 far 0 59 0 - 7.6-12.4 QG2 ILE 89 - HD3 ARG 84 far 0 83 0 - 7.8-17.2 QD2 LEU 86 - HD2 ARG 66 far 0 43 0 - 7.9-35.0 QD2 LEU 64 - HD2 ARG 23 far 0 99 0 - 8.0-13.9 QD2 LEU 64 - HD2 ARG 66 far 0 44 0 - 8.0-9.9 QD2 LEU 64 - HD3 ARG 66 far 0 47 0 - 8.0-9.9 QD2 LEU 86 - HD3 ARG 27 far 0 99 0 - 8.1-39.0 QD2 LEU 86 - HD2 ARG 27 far 0 99 0 - 8.1-38.1 QD2 LEU 29 - HD3 ARG 84 far 0 81 0 - 8.1-35.0 QD2 LEU 86 - HD3 ARG 66 far 0 46 0 - 8.5-33.8 QD1 ILE 89 - HD3 ARG 26 far 0 58 0 - 8.5-47.7 QD2 LEU 64 - HD3 ARG 23 far 0 99 0 - 8.7-12.9 QD1 ILE 89 - HD2 ARG 26 far 0 59 0 - 8.8-47.8 QD2 LEU 29 - HD2 ARG 71 far 0 59 0 - 8.8-17.2 QD2 LEU 29 - HD2 ARG 23 far 0 99 0 - 8.9-12.3 QD1 ILE 89 - HD3 ARG 27 far 0 60 0 - 9.1-44.0 QD1 LEU 43 - HD3 ARG 66 far 0 44 0 - 9.2-13.9 QD1 ILE 89 - HD2 ARG 27 far 0 60 0 - 9.2-43.1 QD2 LEU 29 - HD2 ARG 84 far 0 77 0 - 9.3-35.3 QD2 LEU 29 - HD3 ARG 23 far 0 99 0 - 9.4-11.7 QD1 LEU 43 - HD2 ARG 66 far 0 41 0 - 9.5-12.9 QD1 ILE 89 - HD2 ARG 82 far 0 39 0 - 9.5-21.3 QD2 LEU 64 - HD3 ARG 17 far 0 97 0 - 9.6-19.2 QD2 LEU 86 - HD3 ARG 23 far 0 99 0 - 9.7-42.2 QG2 ILE 89 - HD3 ARG 27 far 0 100 0 - 9.7-44.4 QG2 ILE 89 - HD2 ARG 27 far 0 100 0 - 9.8-43.6 Violated in 2 structures by 0.03 A. Peak 5099 from cnoeabs.peaks (0.91, 3.17, 43.10 ppm; 4.76 A): 2 out of 56 assignments used, quality = 0.48: QD2 LEU 62 + HD3 ARG 66 OK 29 37 100 78 2.1-5.3 5958=30, 5958/1.8=29...(12) QD2 LEU 62 + HD2 ARG 66 OK 27 35 100 78 2.3-6.2 5958=29, 5958/1.8=29...(12) HG12 ILE 68 - HD3 ARG 27 far 15 99 15 - 2.7-9.8 QD1 LEU 86 - HD3 ARG 84 poor 10 52 20 - 4.8-10.7 QD1 LEU 86 - HD2 ARG 84 poor 10 48 20 - 3.5-9.8 HG12 ILE 68 - HD2 ARG 71 far 9 57 15 - 5.5-10.6 QG2 ILE 40 - HD3 ARG 66 poor 7 37 20 - 5.5-8.8 QG1 VAL 76 - HD2 ARG 71 far 6 57 10 - 2.9-13.2 QG2 ILE 40 - HD2 ARG 66 far 5 35 15 - 5.5-8.2 QD1 LEU 86 - HD2 ARG 82 far 5 47 10 - 4.7-15.1 QD2 LEU 62 - HD2 ARG 82 far 3 62 5 - 4.7-30.8 QG2 VAL 76 - HD2 ARG 71 far 3 57 5 - 5.1-14.6 QG2 VAL 41 - HD2 ARG 71 far 2 40 5 - 6.1-10.3 HG12 ILE 68 - HD2 ARG 27 lone 0 99 35 1 2.1-8.5 QG2 VAL 76 - HD2 ARG 66 far 0 42 0 - 6.5-16.3 QG1 VAL 76 - HD2 ARG 66 far 0 42 0 - 6.7-17.6 QG2 VAL 76 - HD2 ARG 82 far 0 73 0 - 6.8-16.9 QD1 LEU 86 - HD3 ARG 26 far 0 69 0 - 6.8-42.8 QD1 LEU 86 - HD2 ARG 26 far 0 70 0 - 6.9-42.7 QG2 ILE 40 - HD2 ARG 27 far 0 89 0 - 7.1-12.0 QD1 LEU 86 - HD2 ARG 27 far 0 71 0 - 7.3-38.5 QD1 LEU 86 - HD3 ARG 66 far 0 28 0 - 7.3-34.8 QD1 LEU 86 - HD2 ARG 66 far 0 26 0 - 7.3-36.1 QG2 VAL 41 - HD2 ARG 27 far 0 78 0 - 7.4-12.6 QD1 LEU 86 - HD3 ARG 27 far 0 71 0 - 7.4-39.6 QG2 VAL 76 - HD3 ARG 66 far 0 45 0 - 7.6-16.3 QG1 VAL 76 - HD2 ARG 82 far 0 73 0 - 7.6-17.7 QG1 VAL 76 - HD3 ARG 66 far 0 45 0 - 7.8-17.1 QG2 ILE 40 - HD2 ARG 71 far 0 47 0 - 7.9-10.3 QG2 ILE 40 - HD2 ARG 82 far 0 62 0 - 8.1-24.6 QG2 ILE 40 - HD3 ARG 27 far 0 89 0 - 8.1-12.4 QG2 VAL 41 - HD2 ARG 82 far 0 53 0 - 8.2-22.2 QG2 VAL 41 - HD2 ARG 66 far 0 29 0 - 8.2-11.0 HG12 ILE 68 - HD2 ARG 66 far 0 42 0 - 8.2-12.0 HG12 ILE 68 - HD3 ARG 23 far 0 98 0 - 8.2-14.8 HG12 ILE 68 - HD3 ARG 66 far 0 45 0 - 8.4-12.1 QG2 VAL 41 - HD3 ARG 27 far 0 78 0 - 8.4-12.6 HG12 ILE 68 - HD2 ARG 23 far 0 98 0 - 8.4-15.5 QD1 LEU 86 - HD2 ARG 71 far 0 35 0 - 8.8-37.4 QG2 VAL 41 - HD3 ARG 66 far 0 31 0 - 8.8-11.2 QG2 ILE 40 - HD3 ARG 84 far 0 68 0 - 9.1-27.9 QG2 VAL 76 - HD3 ARG 23 far 0 98 0 - 9.1-20.7 QG1 VAL 90 - HD3 ARG 27 far 0 95 0 - 9.2-44.2 QG2 VAL 76 - HD3 ARG 17 far 0 96 0 - 9.3-33.2 QG2 VAL 76 - HD2 ARG 23 far 0 98 0 - 9.4-20.5 HG12 ILE 68 - HD3 ARG 26 far 0 97 0 - 9.5-14.6 HG12 ILE 68 - HD2 ARG 26 far 0 98 0 - 9.7-14.0 HG LEU 51 - HD2 ARG 66 far 0 30 0 - 9.8-14.1 QD2 LEU 62 - HD3 ARG 84 far 0 68 0 - 9.8-33.6 QG2 VAL 41 - HD3 ARG 84 far 0 58 0 - 9.8-25.7 HG LEU 51 - HD3 ARG 66 far 0 33 0 - 9.8-15.2 QG1 VAL 90 - HD2 ARG 27 far 0 95 0 - 9.8-43.5 QG1 VAL 90 - HD2 ARG 82 far 0 68 0 - 9.9-23.9 QG1 VAL 76 - HD2 ARG 84 far 0 75 0 - 9.9-18.5 QG2 VAL 41 - HD3 ARG 17 far 0 74 0 - 10.0-21.9 QD1 LEU 86 - HD3 ARG 23 far 0 70 0 - 10.0-42.4 Violated in 0 structures by 0.00 A. Peak 5100 from cnoeabs.peaks (0.84, 1.63, 27.31 ppm; 4.38 A): 3 out of 19 assignments used, quality = 0.99: QD2 LEU 64 + HG3 ARG 27 OK 93 100 95 98 2.1-6.1 5028/2.9=40, 5028/2.9=36...(20) QD2 LEU 64 + HG2 ARG 27 OK 83 100 85 98 2.1-6.1 5028/2.9=40, 5028/2.9=36...(20) QD2 LEU 29 + HG2 ARG 26 OK 59 88 80 84 3.2-6.8 5349/3.7=32, 5375/3.0=20...(16) QD2 LEU 29 - HG3 ARG 27 far 15 100 15 - 5.6-8.7 QD2 LEU 86 - HG2 ARG 26 far 4 87 5 - 3.1-42.0 QD2 LEU 29 - HG2 ARG 17 far 4 81 5 - 5.4-23.3 QD2 LEU 29 - HG2 ARG 27 far 0 100 0 - 6.0-8.3 QD2 LEU 29 - HG3 ARG 17 far 0 82 0 - 6.3-23.1 QD1 ILE 89 - HG2 ARG 26 far 0 48 0 - 6.4-47.2 QD2 LEU 86 - HG2 ARG 27 far 0 99 0 - 7.0-39.3 QD2 LEU 64 - HG2 ARG 26 far 0 88 0 - 7.0-10.2 QD2 LEU 86 - HG3 ARG 27 far 0 99 0 - 7.5-39.0 QD2 LEU 86 - HG3 ARG 70 far 0 70 0 - 7.8-31.8 QD2 LEU 64 - HG3 ARG 70 far 0 72 0 - 8.6-12.5 QG2 ILE 89 - HG2 ARG 26 far 0 89 0 - 8.8-47.9 QD1 ILE 89 - HG2 ARG 27 far 0 60 0 - 9.0-44.5 QD2 LEU 64 - HG3 ARG 17 far 0 82 0 - 9.5-18.4 QD2 LEU 64 - HG2 ARG 17 far 0 81 0 - 9.7-18.5 QD1 ILE 89 - HG3 ARG 27 far 0 60 0 - 9.7-44.1 Violated in 3 structures by 0.03 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 2.3-3.6 4248/582=96, 4583/2.2=90...(26) 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 2.7-3.5 4530=100, 2.1/4534=100...(34) 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 = 0.93: HB2 LYS 39 + HD2 PRO 36 OK 93 98 95 100 3.7-7.3 ~4877=64, ~5208=54...(26) HB3 PRO 34 - HD2 PRO 36 poor 19 97 20 - 6.5-8.4 HB2 ARG 17 - HD2 PRO 36 far 7 73 10 - 3.6-25.6 HB3 PRO 14 - HD2 PRO 36 far 0 76 0 - 8.2-24.6 Violated in 6 structures by 0.26 A. Peak 5105 from cnoeabs.peaks (4.09, 1.17, 22.48 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 25 + QG2 THR 37 OK 100 100 100 100 2.6-4.1 4162=100, 4181/6128=42...(12) HA ARG 26 - QG2 THR 37 far 0 73 0 - 6.1-8.2 HA ARG 27 - QG2 THR 37 far 0 76 0 - 7.0-9.3 HA ARG 71 - QG2 THR 37 far 0 89 0 - 8.1-11.0 Violated in 3 structures by 0.02 A. Peak 5107 from cnoeabs.peaks (8.20, 1.17, 22.48 ppm; 5.01 A): 4 out of 8 assignments used, quality = 1.00: H GLU 25 + QG2 THR 37 OK 100 100 100 100 3.8-5.7 2.9/4162=86, 523/4164=56...(9) H ALA 28 + QG2 THR 37 OK 85 96 90 99 4.1-6.6 2.9/6128=93...(12) H ARG 27 + QG2 THR 37 OK 30 76 50 78 5.4-7.6 5520/6128=49, 61/4162=20...(9) H SER 22 + QG2 THR 37 OK 25 97 55 48 4.5-8.1 1346/4164=25...(5) H ALA 77 - QG2 THR 37 far 0 71 0 - 6.7-18.0 H ARG 84 - QG2 THR 37 far 0 100 0 - 7.3-26.6 H GLN 79 - QG2 THR 37 far 0 92 0 - 7.9-20.1 H THR 15 - QG2 THR 37 far 0 100 0 - 8.6-19.3 Violated in 1 structures by 0.00 A. Peak 5108 from cnoeabs.peaks (0.91, 1.78, 32.41 ppm; 4.48 A): 7 out of 24 assignments used, quality = 0.99: QG2 VAL 41 + HB3 LYS 73 OK 65 69 95 100 2.8-6.3 ~4904=43, ~5626=41...(25) QG1 VAL 76 + HB3 LYS 75 OK 60 87 75 92 3.8-6.5 3.9/341=48, ~5853=35...(15) QG2 VAL 76 + HB3 LYS 73 OK 59 95 65 95 1.9-10.4 ~6037=43, ~15432=40...(17) QG1 VAL 76 + HB3 LYS 73 OK 50 95 55 95 2.7-8.2 ~6037=43, ~15432=40...(18) QG2 VAL 76 + HB3 LYS 75 OK 44 87 55 91 2.8-6.8 3.9/341=48, ~5853=35...(17) HG LEU 51 + HB3 LYS 39 OK 34 87 40 99 4.6-9.4 2.1/5205=66, ~5204=48...(14) QG2 ILE 40 + HB3 LYS 39 OK 28 83 35 95 5.4-6.9 4.0/130=56, 4301/5205=30...(19) QG2 VAL 41 - HB3 LYS 75 poor 18 61 30 - 4.5-11.2 QD1 LEU 86 - HB2 LYS 85 poor 12 51 45 50 4.6-7.6 4.8/386=36, 3.1/1856=9...(4) QG2 ILE 40 - HB3 LYS 73 poor 8 81 25 38 4.7-8.6 5263/788=9, 4303/1.8=8...(9) QD1 LEU 86 - HB2 LYS 83 far 3 69 5 - 5.8-12.8 HG12 ILE 68 - HB3 LYS 75 far 0 87 0 - 6.2-18.2 QG2 VAL 41 - HB3 LYS 39 far 0 71 0 - 6.4-7.4 QG1 VAL 76 - HB2 LYS 83 far 0 88 0 - 7.1-16.6 QD1 LEU 86 - HB3 LYS 39 far 0 78 0 - 7.3-33.5 HG12 ILE 68 - HB3 LYS 73 far 0 95 0 - 7.7-12.2 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 7.8-13.1 QG2 VAL 76 - HB2 LYS 83 far 0 88 0 - 7.9-17.8 QG2 VAL 76 - HB3 LYS 39 far 0 97 0 - 8.4-19.2 QG1 VAL 76 - HB3 LYS 39 far 0 97 0 - 8.5-16.9 HG LEU 51 - HB2 LYS 13 far 0 84 0 - 8.6-32.7 HG12 ILE 68 - HB3 LYS 39 far 0 97 0 - 8.6-12.4 QG2 ILE 40 - HB2 LYS 13 far 0 80 0 - 9.5-25.9 QD2 LEU 62 - HB2 LYS 83 far 0 73 0 - 9.9-31.7 Violated in 0 structures by 0.00 A. Peak 5109 from cnoeabs.peaks (0.83, 1.78, 32.41 ppm; 4.23 A): 1 out of 21 assignments used, quality = 0.99: QD1 LEU 43 + HB3 LYS 39 OK 99 100 100 99 2.9-5.0 5357/3.0=60, 5206/2.9=52...(13) QG2 ILE 68 - HB3 LYS 73 poor 19 74 25 - 4.5-8.5 QD2 LEU 29 - HB2 LYS 13 poor 18 92 20 - 4.0-25.1 QG2 ILE 68 - HB3 LYS 75 poor 13 66 20 - 4.4-13.5 QD2 LEU 86 - HB2 LYS 85 poor 9 75 30 42 4.4-7.4 4.8/386=32, 3.1/1856=8...(4) QD1 LEU 43 - HB2 LYS 13 far 5 99 5 - 3.9-27.4 QG2 ILE 68 - HB3 LYS 39 far 0 76 0 - 6.0-8.3 QD1 ILE 89 - HB2 LYS 85 far 0 53 0 - 6.4-12.0 QD2 LEU 86 - HB2 LYS 83 far 0 94 0 - 7.0-12.7 QD2 LEU 29 - HB3 LYS 39 far 0 95 0 - 8.2-12.6 QD2 LEU 64 - HB2 LYS 13 far 0 92 0 - 8.4-22.6 QD2 LEU 64 - HB3 LYS 39 far 0 95 0 - 8.4-12.8 QD2 LEU 29 - HB2 LYS 85 far 0 66 0 - 8.6-36.0 QD1 ILE 89 - HB3 LYS 39 far 0 81 0 - 8.6-41.5 QG2 ILE 89 - HB2 LYS 85 far 0 70 0 - 8.9-13.1 QG2 ILE 89 - HB3 LYS 39 far 0 97 0 - 9.3-40.4 QD1 LEU 43 - HB3 LYS 73 far 0 99 0 - 9.3-12.8 QD2 LEU 64 - HB3 LYS 75 far 0 85 0 - 9.3-18.9 QD2 LEU 86 - HB3 LYS 39 far 0 100 0 - 9.3-34.1 QG2 ILE 89 - HB3 LYS 75 far 0 88 0 - 9.6-33.8 QD2 LEU 29 - HB3 LYS 75 far 0 85 0 - 9.9-22.9 Violated in 4 structures by 0.08 A. Peak 5110 from cnoeabs.peaks (0.91, 1.85, 32.41 ppm; 4.62 A): 4 out of 14 assignments used, quality = 0.96: QG1 VAL 76 + HB2 LYS 75 OK 75 81 100 93 2.5-6.1 3.9/340=65, 3.2/5853=35...(12) QG2 VAL 76 + HB2 LYS 75 OK 75 81 100 92 2.7-5.8 3.9/340=65, 3.2/5853=35...(14) HG LEU 51 + HB2 LYS 39 OK 26 87 30 99 4.3-9.0 2.1/5204=69, ~5205=52...(12) QG2 ILE 40 + HB2 LYS 39 OK 24 83 30 96 5.4-6.6 4.0/129=65, 5119/2.9=26...(15) QG2 VAL 41 - HB2 LYS 75 poor 9 55 40 42 4.7-11.7 4796/16031=16, ~4346=10...(7) QG2 VAL 41 - HB2 LYS 39 far 0 71 0 - 6.2-7.5 HG12 ILE 68 - HB2 LYS 75 far 0 81 0 - 6.3-17.0 QG2 VAL 76 - HB2 LYS 39 far 0 97 0 - 7.6-19.6 QG2 ILE 40 - HB2 LYS 75 far 0 66 0 - 8.1-13.9 QD1 LEU 86 - HB2 LYS 39 far 0 78 0 - 8.6-33.7 HG12 ILE 68 - HB2 LYS 39 far 0 97 0 - 8.7-13.3 QG1 VAL 76 - HB2 LYS 39 far 0 97 0 - 9.1-17.3 QD2 LEU 62 - HB2 LYS 39 far 0 83 0 - 9.5-14.5 QD1 LEU 86 - HB2 LYS 75 far 0 62 0 - 9.6-27.1 Violated in 0 structures by 0.00 A. Peak 5111 from cnoeabs.peaks (0.83, 1.85, 32.41 ppm; 4.28 A): 1 out of 9 assignments used, quality = 0.99: QD1 LEU 43 + HB2 LYS 39 OK 99 100 100 99 2.1-4.8 5357/3.0=62, 5206/2.9=53...(13) QG2 ILE 68 - HB2 LYS 75 poor 12 60 20 - 4.7-12.5 QG2 ILE 68 - HB2 LYS 39 far 0 76 0 - 6.3-8.9 QD2 LEU 29 - HB2 LYS 75 far 0 78 0 - 8.8-21.5 QD2 LEU 64 - HB2 LYS 39 far 0 95 0 - 8.8-12.6 QD2 LEU 64 - HB2 LYS 75 far 0 78 0 - 9.1-17.9 QD2 LEU 29 - HB2 LYS 39 far 0 95 0 - 9.4-13.5 QD2 LEU 86 - HB2 LYS 75 far 0 87 0 - 9.6-27.3 QD1 ILE 89 - HB2 LYS 39 far 0 81 0 - 9.8-41.5 Violated in 8 structures by 0.09 A. Peak 5112 from cnoeabs.peaks (2.10, 1.78, 32.41 ppm; 4.31 A): 4 out of 16 assignments used, quality = 1.00: HG3 PRO 36 + HB3 LYS 39 OK 99 99 100 100 2.4-5.7 2.3/4877=66, 2.3/5584=50...(30) HG2 PRO 36 + HB3 LYS 39 OK 97 97 100 100 1.9-4.1 2.3/4877=66, 2.3/5584=50...(30) HB2 PRO 36 + HB3 LYS 39 OK 76 81 95 100 3.5-5.9 4877=75, 1.8/5584=54...(26) HB ILE 40 + HB3 LYS 39 OK 30 83 40 92 5.3-6.7 3.9/130=53, 3.0/4818=19...(15) HB ILE 40 - HB3 LYS 73 far 4 81 5 - 5.8-10.9 HB2 PRO 36 - HB2 LYS 85 far 0 53 0 - 6.3-40.3 HG2 PRO 36 - HB2 LYS 13 far 0 95 0 - 6.8-30.9 HG2 PRO 36 - HB2 LYS 85 far 0 70 0 - 7.1-40.3 HG3 PRO 36 - HB2 LYS 13 far 0 97 0 - 7.2-29.5 HG3 PRO 36 - HB2 LYS 85 far 0 72 0 - 8.1-42.0 HB ILE 40 - HB3 LYS 75 far 0 72 0 - 8.3-16.6 HB2 PRO 36 - HB2 LYS 13 far 0 78 0 - 8.9-28.7 HB3 GLU 59 - HB2 LYS 85 far 0 67 0 - 9.2-45.2 HB3 PRO 44 - HB2 LYS 83 far 0 86 0 - 9.7-34.7 HB3 PRO 44 - HB3 LYS 75 far 0 85 0 - 9.7-20.5 HB3 PRO 44 - HB3 LYS 73 far 0 93 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 5113 from cnoeabs.peaks (2.10, 1.58, 28.78 ppm; 4.80 A): 6 out of 16 assignments used, quality = 1.00: HG3 PRO 36 + HD3 LYS 39 OK 99 99 100 100 2.8-6.2 ~5208=39, ~5586=35...(34) HG2 PRO 36 + HD2 LYS 39 OK 97 97 100 100 2.0-6.0 ~5208=39, 4893/3.0=36...(34) HG2 PRO 36 + HD3 LYS 39 OK 97 97 100 100 2.0-6.1 ~5208=39, 4893/3.0=36...(34) HG3 PRO 36 + HD2 LYS 39 OK 94 99 95 100 2.6-6.4 ~5208=39, ~5586=35...(34) HB2 PRO 36 + HD2 LYS 39 OK 68 81 85 100 4.1-7.1 4877/3.5=54, 4876/3.0=39...(27) HB2 PRO 36 + HD3 LYS 39 OK 68 81 85 100 4.0-7.3 4877/3.5=54, 4876/3.0=39...(27) HB ILE 40 - HD3 LYS 39 far 8 83 10 - 5.7-8.4 HB ILE 40 - HD2 LYS 39 far 4 83 5 - 5.6-8.5 HB ILE 40 - HD3 LYS 73 far 0 47 0 - 6.5-11.6 HB ILE 40 - HD2 LYS 73 far 0 47 0 - 6.7-12.1 HB3 PRO 44 - HD2 LYS 73 far 0 57 0 - 7.0-15.0 HB2 PRO 56 - HD2 LYS 32 far 0 55 0 - 7.5-15.7 HB3 PRO 44 - HD3 LYS 73 far 0 57 0 - 7.6-15.4 HG3 PRO 56 - HD2 LYS 32 far 0 57 0 - 7.9-13.1 HG3 PRO 56 - HD3 LYS 32 far 0 52 0 - 8.0-12.4 HB2 PRO 56 - HD3 LYS 32 far 0 50 0 - 8.6-14.6 Violated in 0 structures by 0.00 A. Peak 5114 from cnoeabs.peaks (2.10, 2.98, 41.78 ppm; 4.16 A): 4 out of 31 assignments used, quality = 1.00: HG2 PRO 36 + HE2 LYS 39 OK 91 100 95 96 3.4-5.8 2.3/6089=27, 4893/3.6=26...(20) HG2 PRO 36 + HE3 LYS 39 OK 90 100 95 95 3.0-5.7 4893/3.6=26, 2.3/6089=24...(20) HG3 PRO 36 + HE3 LYS 39 OK 52 100 55 95 3.1-6.9 2.3/6089=24, 4870/3.6=23...(20) HG3 PRO 36 + HE2 LYS 39 OK 43 100 45 95 3.5-6.6 2.3/6089=27, 4870/3.6=23...(20) HB3 MET 31 - HE2 LYS 32 far 6 41 15 - 4.5-8.7 HB3 MET 31 - HE3 LYS 32 far 4 42 10 - 5.4-8.9 HB2 PRO 36 - HE2 LYS 39 far 3 65 5 - 5.4-8.2 HB2 PRO 36 - HE3 LYS 39 far 3 65 5 - 5.2-7.8 HB ILE 40 - HE2 LYS 39 far 0 68 0 - 5.8-10.2 HB3 PRO 44 - HE3 LYS 73 far 0 68 0 - 5.8-13.0 HB ILE 40 - HE3 LYS 39 far 0 68 0 - 6.1-10.1 HB3 PRO 44 - HE2 LYS 73 far 0 71 0 - 6.5-14.6 HG3 PRO 56 - HE2 LYS 32 far 0 71 0 - 7.1-13.7 HB ILE 40 - HE3 LYS 75 far 0 54 0 - 7.2-19.3 HB3 MET 31 - HE3 LYS 13 far 0 56 0 - 7.2-25.3 HB ILE 40 - HE3 LYS 73 far 0 41 0 - 7.2-11.9 HB3 PRO 44 - HE3 LYS 75 far 0 86 0 - 7.3-22.4 HB2 PRO 56 - HE2 LYS 32 far 0 69 0 - 7.4-16.1 HB ILE 40 - HE2 LYS 73 far 0 43 0 - 7.4-12.9 HB3 MET 31 - HE2 LYS 13 far 0 57 0 - 7.7-26.7 HG3 PRO 56 - HE3 LYS 32 far 0 73 0 - 7.9-14.3 HB3 PRO 44 - HE2 LYS 75 far 0 88 0 - 7.9-22.8 HB2 PRO 56 - HE3 LYS 32 far 0 72 0 - 8.1-17.0 HB ILE 40 - HE2 LYS 75 far 0 56 0 - 8.2-19.6 HG3 PRO 36 - HE3 LYS 13 far 0 93 0 - 8.3-30.2 HG2 PRO 36 - HE3 LYS 13 far 0 93 0 - 8.4-31.7 HG3 PRO 36 - HE2 LYS 13 far 0 94 0 - 9.0-29.7 HB2 PRO 36 - HE3 LYS 75 far 0 52 0 - 9.1-23.5 HG2 PRO 36 - HE2 LYS 13 far 0 94 0 - 9.3-31.2 HB2 PRO 36 - HE2 LYS 75 far 0 53 0 - 9.7-23.8 HB3 PRO 44 - HE3 LYS 39 far 0 99 0 - 9.9-14.8 Violated in 8 structures by 0.08 A. Peak 5115 from cnoeabs.peaks (0.83, 2.98, 41.78 ppm; 4.04 A): 2 out of 36 assignments used, quality = 1.00: QD1 LEU 43 + HE2 LYS 39 OK 98 100 100 98 2.1-5.0 5206/3.6=42, 5111/4.7=38...(15) QD1 LEU 43 + HE3 LYS 39 OK 93 100 95 98 1.9-5.6 5206/3.6=42, 5111/4.7=38...(15) QG2 ILE 68 - HE2 LYS 75 far 6 63 10 - 4.0-15.0 QG2 ILE 68 - HE3 LYS 75 far 6 61 10 - 3.3-15.2 QD2 LEU 29 - HE2 LYS 13 far 4 86 5 - 5.5-26.4 QG2 ILE 89 - HE2 LYS 32 far 3 68 5 - 5.2-51.3 QD2 LEU 29 - HE3 LYS 13 far 0 85 0 - 5.6-26.3 QD1 LEU 43 - HE3 LYS 13 far 0 93 0 - 6.0-26.0 QG2 ILE 89 - HE3 LYS 32 far 0 71 0 - 6.0-50.1 QD2 LEU 64 - HE2 LYS 32 far 0 65 0 - 6.2-9.9 QD2 LEU 29 - HE3 LYS 32 far 0 67 0 - 6.5-10.8 QD2 LEU 29 - HE2 LYS 32 far 0 65 0 - 6.5-11.2 QG2 ILE 68 - HE2 LYS 73 far 0 48 0 - 6.7-10.6 QG2 ILE 68 - HE2 LYS 39 far 0 76 0 - 6.9-11.0 QD2 LEU 64 - HE3 LYS 32 far 0 67 0 - 6.9-9.8 QD1 LEU 43 - HE3 LYS 73 far 0 71 0 - 7.2-13.5 QD1 LEU 43 - HE2 LYS 13 far 0 94 0 - 7.2-26.4 QG2 ILE 68 - HE3 LYS 39 far 0 76 0 - 7.3-10.9 QD1 LEU 43 - HE2 LYS 73 far 0 73 0 - 7.4-14.8 QG2 ILE 68 - HE3 LYS 73 far 0 46 0 - 7.6-10.0 QD1 ILE 89 - HE2 LYS 32 far 0 52 0 - 7.8-51.2 QD2 LEU 64 - HE3 LYS 13 far 0 85 0 - 8.0-22.2 QD2 LEU 64 - HE2 LYS 75 far 0 81 0 - 8.3-20.6 QD2 LEU 64 - HE2 LYS 13 far 0 86 0 - 8.4-23.3 QD1 ILE 89 - HE3 LYS 32 far 0 54 0 - 8.5-50.0 QD2 LEU 86 - HE2 LYS 75 far 0 90 0 - 8.6-29.7 QD2 LEU 64 - HE2 LYS 39 far 0 95 0 - 8.8-13.6 QD2 LEU 29 - HE2 LYS 39 far 0 95 0 - 9.1-15.5 QD2 LEU 86 - HE3 LYS 75 far 0 89 0 - 9.1-28.6 QD2 LEU 64 - HE3 LYS 75 far 0 80 0 - 9.2-20.4 QD2 LEU 29 - HE3 LYS 75 far 0 80 0 - 9.3-23.2 QD1 ILE 89 - HE3 LYS 75 far 0 65 0 - 9.4-32.6 QG2 ILE 89 - HE3 LYS 75 far 0 83 0 - 9.4-33.2 QD2 LEU 29 - HE2 LYS 75 far 0 81 0 - 9.4-24.3 QD2 LEU 29 - HE3 LYS 39 far 0 94 0 - 9.6-14.6 QD1 ILE 89 - HE2 LYS 75 far 0 67 0 - 9.9-33.8 Violated in 1 structures by 0.01 A. Peak 5116 from cnoeabs.peaks (0.93, 2.98, 41.78 ppm; 4.18 A): 4 out of 43 assignments used, quality = 0.97: QD2 LEU 43 + HE3 LYS 39 OK 83 95 90 97 3.6-6.2 2.1/5115=37, 5213/3.0=36...(14) QD2 LEU 43 + HE2 LYS 39 OK 65 96 70 97 3.1-6.5 2.1/5115=39, 5213/3.0=36...(14) QG2 VAL 41 + HE2 LYS 73 OK 32 73 50 88 4.2-8.1 6092/1.8=26, 5625/6.1=24...(15) QG2 VAL 41 + HE3 LYS 73 OK 22 71 35 88 4.7-7.3 5625/6.1=24, 6092/1.8=23...(15) QG2 VAL 76 - HE2 LYS 73 poor 20 66 30 - 1.9-12.1 QG1 VAL 76 - HE3 LYS 75 poor 16 81 20 - 3.6-9.0 QG2 ILE 40 - HE3 LYS 39 far 15 100 15 - 5.3-9.6 QG2 VAL 76 - HE3 LYS 75 poor 14 81 35 49 4.0-8.7 ~5328=10, 5850/6.7=7...(13) QG2 VAL 41 - HE3 LYS 75 far 13 88 15 - 4.4-12.9 QG2 ILE 40 - HE2 LYS 39 poor 13 100 25 52 5.2-9.6 4302/3.6=19...(9) QG1 VAL 76 - HE2 LYS 75 far 12 83 15 - 3.1-9.1 QG2 VAL 76 - HE2 LYS 75 far 12 83 15 - 4.5-8.7 QG1 VAL 76 - HE2 LYS 73 poor 10 66 50 30 2.6-10.6 5430/6.1=7, 5854/3.7=5...(11) QG1 VAL 76 - HE3 LYS 73 poor 9 63 50 30 2.2-9.2 5430/6.1=7, 5854/3.7=5...(11) HG12 ILE 68 - HE2 LYS 75 far 8 83 10 - 3.6-20.7 QG2 VAL 76 - HE3 LYS 73 poor 6 63 35 29 2.5-10.6 5430/6.1=6, 5846/4.7=4...(11) HG12 ILE 68 - HE3 LYS 75 far 4 81 5 - 4.0-20.6 QG2 ILE 40 - HE2 LYS 73 far 4 73 5 - 5.6-11.1 QG2 ILE 40 - HE3 LYS 73 far 4 70 5 - 5.4-10.1 QG2 VAL 41 - HE2 LYS 75 far 0 90 0 - 5.8-13.1 QD1 LEU 64 - HE2 LYS 75 far 0 65 0 - 5.9-19.0 QD1 LEU 64 - HE3 LYS 75 far 0 63 0 - 6.6-19.4 QD2 LEU 43 - HE3 LYS 73 far 0 63 0 - 6.7-12.3 QD2 LEU 43 - HE3 LYS 13 far 0 86 0 - 6.9-28.3 QG2 ILE 40 - HE3 LYS 75 far 0 88 0 - 7.1-15.7 QD2 LEU 43 - HE2 LYS 73 far 0 66 0 - 7.2-13.6 QG2 VAL 41 - HE2 LYS 39 far 0 100 0 - 7.8-10.4 QD2 LEU 43 - HE2 LYS 13 far 0 87 0 - 7.8-28.7 QG2 ILE 40 - HE2 LYS 75 far 0 90 0 - 7.8-15.9 QG2 VAL 41 - HE3 LYS 39 far 0 100 0 - 7.9-10.2 QD1 LEU 64 - HE3 LYS 32 far 0 52 0 - 8.1-11.7 HG12 ILE 68 - HE2 LYS 39 far 0 96 0 - 8.1-15.1 QD1 LEU 64 - HE3 LYS 13 far 0 68 0 - 8.2-24.0 QD1 LEU 64 - HE2 LYS 13 far 0 69 0 - 8.3-24.9 QD1 LEU 64 - HE2 LYS 32 far 0 50 0 - 8.4-11.5 QD2 LEU 62 - HE2 LYS 39 far 0 100 0 - 8.6-14.6 QD1 LEU 64 - HE2 LYS 39 far 0 78 0 - 9.1-14.7 QD2 LEU 62 - HE3 LYS 39 far 0 100 0 - 9.1-14.6 QD2 LEU 62 - HE2 LYS 32 far 0 73 0 - 9.1-15.8 QG1 VAL 76 - HE2 LYS 39 far 0 96 0 - 9.3-20.4 HG12 ILE 68 - HE3 LYS 39 far 0 95 0 - 9.4-15.1 QD2 LEU 43 - HE3 LYS 75 far 0 81 0 - 9.9-20.6 QD1 LEU 64 - HE3 LYS 39 far 0 78 0 - 9.9-14.9 Violated in 3 structures by 0.02 A. Peak 5117 from cnoeabs.peaks (0.93, 1.58, 28.78 ppm; 6.29 A): 10 out of 28 assignments used, quality = 1.00: QD2 LEU 43 + HD3 LYS 39 OK 87 87 100 100 3.9-6.7 ~5206=73, 5213/1.8=52...(16) QD2 LEU 43 + HD2 LYS 39 OK 87 87 100 100 3.1-6.6 ~5206=73, 4896/3.0=50...(16) QG2 ILE 40 + HD3 LYS 39 OK 74 100 80 92 4.5-8.2 4301/6085=38...(11) QG2 ILE 40 + HD2 LYS 39 OK 69 100 75 92 4.7-8.2 4301/6085=38...(11) QG2 VAL 41 + HD3 LYS 73 OK 60 60 100 100 3.4-7.2 ~4904=79, ~5256=74...(17) QG2 VAL 41 + HD2 LYS 73 OK 60 60 100 100 4.0-7.1 ~4904=79, ~5256=74...(17) QG2 VAL 76 + HD3 LYS 73 OK 51 61 95 87 2.1-11.6 ~5257=46, ~5255=30...(14) QG2 VAL 76 + HD2 LYS 73 OK 46 61 85 88 3.5-12.3 ~5257=46, ~5255=30...(15) QG1 VAL 76 + HD2 LYS 73 OK 44 61 85 85 2.9-10.5 ~5257=33, ~5255=27...(16) QG1 VAL 76 + HD3 LYS 73 OK 44 61 85 85 1.9-9.8 ~5257=33, ~5255=27...(15) QG2 ILE 40 - HD3 LYS 73 poor 12 62 70 27 4.6-10.6 5263/6.1=13, 4303/3.5=10...(4) QG2 ILE 40 - HD2 LYS 73 poor 9 62 55 27 4.8-11.1 5263/6.1=13, 4303/3.5=10...(4) QG2 VAL 41 - HD2 LYS 39 poor 8 99 30 25 6.6-8.9 4330/6076=18, ~5207=7 QG2 VAL 41 - HD3 LYS 39 poor 6 99 25 26 7.1-8.9 4330/6076=18, ~5207=7 QD2 LEU 43 - HD2 LYS 73 far 5 48 10 - 7.0-13.4 QG1 VAL 90 - HD2 LYS 32 far 2 34 5 - 2.2-49.6 QG2 VAL 90 - HD2 LYS 32 far 2 32 5 - 3.1-51.3 QD2 LEU 43 - HD3 LYS 73 far 0 48 0 - 7.9-13.2 QG1 VAL 76 - HD2 LYS 39 far 0 99 0 - 8.1-19.2 QD2 LEU 62 - HD3 LYS 39 far 0 100 0 - 8.6-13.5 QG2 VAL 76 - HD2 LYS 39 far 0 99 0 - 8.8-21.5 QD1 LEU 64 - HD2 LYS 32 far 0 32 0 - 9.2-11.0 HG12 ILE 68 - HD3 LYS 39 far 0 99 0 - 9.2-13.1 QD1 LEU 64 - HD3 LYS 39 far 0 63 0 - 9.2-12.9 QG1 VAL 76 - HD3 LYS 39 far 0 99 0 - 9.5-19.2 QD2 LEU 62 - HD2 LYS 39 far 0 100 0 - 9.6-14.0 HG12 ILE 68 - HD3 LYS 73 far 0 61 0 - 9.7-13.5 HG12 ILE 68 - HD2 LYS 73 far 0 61 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 5118 from cnoeabs.peaks (0.83, 1.58, 28.78 ppm; 4.86 A): 2 out of 16 assignments used, quality = 1.00: QD1 LEU 43 + HD3 LYS 39 OK 100 100 100 100 2.2-5.2 5111/3.5=69, 5206/3.0=67...(21) QD1 LEU 43 + HD2 LYS 39 OK 100 100 100 100 1.9-5.1 5111/3.5=69, 5206/3.0=67...(21) QG2 ILE 68 - HD3 LYS 73 far 6 40 15 - 6.1-9.5 QG2 ILE 89 - HD2 LYS 32 far 3 58 5 - 4.4-49.1 QG2 ILE 68 - HD2 LYS 73 far 2 40 5 - 5.9-10.4 QD1 ILE 89 - HD2 LYS 32 far 0 44 0 - 6.6-49.0 QD2 LEU 29 - HD2 LYS 32 far 0 55 0 - 6.7-10.5 QD1 LEU 43 - HD2 LYS 73 far 0 63 0 - 6.7-13.6 QG2 ILE 68 - HD3 LYS 39 far 0 76 0 - 7.0-9.5 QD1 LEU 43 - HD3 LYS 73 far 0 63 0 - 7.1-14.1 QG2 ILE 68 - HD2 LYS 39 far 0 76 0 - 7.4-9.8 QD2 LEU 64 - HD2 LYS 32 far 0 55 0 - 7.7-9.2 QD2 LEU 29 - HD2 LYS 39 far 0 94 0 - 8.5-15.1 QD2 LEU 29 - HD3 LYS 39 far 0 95 0 - 8.5-14.8 QD2 LEU 64 - HD3 LYS 39 far 0 95 0 - 9.2-12.0 QG2 ILE 89 - HD2 LYS 73 far 0 58 0 - 10.0-32.9 Violated in 0 structures by 0.00 A. Peak 5119 from cnoeabs.peaks (0.91, 1.55, 25.35 ppm; 4.72 A): 2 out of 8 assignments used, quality = 0.72: HG LEU 51 + HG2 LYS 39 OK 55 92 60 100 4.7-7.7 2.1/6087=59...(21) QG2 ILE 40 + HG2 LYS 39 OK 39 76 60 85 4.9-7.6 4301/6087=27...(15) QG2 VAL 41 - HG2 LYS 39 far 9 63 15 - 6.2-8.6 HG12 ILE 68 - HG2 LYS 39 far 0 93 0 - 7.4-13.9 QD1 LEU 86 - HG2 LYS 39 far 0 85 0 - 8.4-32.5 QG2 VAL 76 - HG2 LYS 39 far 0 93 0 - 8.9-20.7 QD2 LEU 62 - HG2 LYS 39 far 0 76 0 - 9.7-12.5 QG1 VAL 76 - HG2 LYS 39 far 0 93 0 - 9.8-18.5 Violated in 17 structures by 0.17 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 2.7-4.5 2.2/4325=68, 4323/3.2=47...(23) Violated in 5 structures by 0.09 A. Peak 5121 from cnoeabs.peaks (6.95, 3.63, 64.52 ppm; 4.66 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HA ILE 40 OK 97 97 100 100 4.0-5.6 2.2/5608=55, 5122/3.0=45...(19) HZ PHE 48 + HA ILE 40 OK 79 99 80 100 4.4-6.5 2.2/5120=86...(19) HZ PHE 35 + HA ILE 40 OK 28 98 30 97 5.6-6.9 3.8/5608=45...(14) HD22 ASN 42 - HA ILE 40 far 4 89 5 - 6.1-8.8 Violated in 1 structures by 0.02 A. Peak 5123 from cnoeabs.peaks (1.74, 3.63, 64.52 ppm; 5.18 A): 1 out of 5 assignments used, quality = 0.90: HB2 LEU 43 + HA ILE 40 OK 90 90 100 100 2.5-4.1 3.0/5125=77, 621/4372=71...(12) HG2 PRO 34 - HA ILE 40 far 0 85 0 - 8.5-11.5 HB ILE 33 - HA ILE 40 far 0 63 0 - 9.0-10.7 HB2 ARG 54 - HA ILE 40 far 0 71 0 - 9.4-12.3 HG3 ARG 71 - HA ILE 40 far 0 97 0 - 9.6-13.9 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 4 assignments used, quality = 0.99: HB3 LEU 43 + HA ILE 40 OK 97 97 100 100 4.1-5.7 1.8/5123=87, 3.0/5125=83...(11) HG3 LYS 39 + HA ILE 40 OK 74 76 100 98 2.8-6.6 ~129=56, ~130=53...(15) HG12 ILE 33 - HA ILE 40 far 0 89 0 - 9.0-11.9 HG2 LYS 13 - HA ILE 40 far 0 100 0 - 9.0-33.4 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 4 assignments used, quality = 0.98: HG LEU 43 + HA ILE 40 OK 98 100 100 98 3.9-6.0 623/4372=65, 3.0/5123=55...(12) HG2 ARG 66 - HA ILE 40 far 0 83 0 - 6.9-11.4 HG2 PRO 14 - HA ILE 40 far 0 99 0 - 7.1-29.1 HG3 PRO 14 - HA ILE 40 far 0 99 0 - 8.1-30.6 Violated in 13 structures by 0.35 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 2.4-3.8 2.2/4323=89, 5613/2.1=64...(36) QD TYR 81 - QG2 ILE 40 far 0 68 0 - 8.9-17.2 Violated in 0 structures by 0.00 A. Peak 5130 from cnoeabs.peaks (3.64, 0.94, 22.13 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 40 + QG2 VAL 41 OK 97 99 100 98 4.5-4.8 1925=48, 3.0/4330=38...(23) HA ARG 69 + QG2 VAL 41 OK 94 97 100 98 1.9-3.0 4769=34, 4767/2.1=29...(29) HA VAL 65 - QG2 VAL 41 far 0 98 0 - 5.7-7.4 HD3 PRO 44 - QG2 VAL 41 far 0 60 0 - 8.7-9.3 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 98 100 100 98 2.3-2.4 919/4431=72, 5132/1.8=34...(11) H PHE 48 + HB3 PRO 44 OK 96 99 100 97 4.4-4.9 171/4431=71, 5132/1.8=33...(12) 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 = 1.00: H ASP 46 + HB2 PRO 44 OK 98 100 100 98 4.0-4.1 919/4392=63, 4.6/156=55...(7) H PHE 48 + HB2 PRO 44 OK 96 100 100 97 5.4-5.8 171/4392=63, 5131/1.8=44...(8) 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 2.0-3.5 4397/2.3=87, 5135/1.8=76...(15) Violated in 0 structures by 0.00 A. Peak 5135 from cnoeabs.peaks (2.59, 2.14, 27.95 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASP 47 + HG3 PRO 44 OK 100 100 100 100 3.1-4.7 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 2.7-4.5 2.1/4919=99, 4370=98...(20) QG2 ILE 68 + QD PHE 48 OK 93 94 100 98 5.6-7.5 5249/5619=79...(12) QG1 VAL 41 + QD PHE 48 OK 41 69 100 59 6.4-7.7 4350/5613=28...(5) QD2 LEU 64 - QD PHE 48 far 0 72 0 - 8.1-9.8 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 2.7-4.7 3.7/4523=93, 4625/3.1=81...(13) 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 2.1-3.6 2.2/5223=98, ~4647=97...(22) 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 3.6-4.5 4966=85, 207/3.6=79...(10) H LEU 51 + HA LEU 52 OK 97 99 100 97 5.1-5.4 924/3.0=85, 4943/3.6=52...(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 3.1-4.4 2.2/4638=93, 4632=86...(16) 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 3.1-4.0 4581=98, 4973/3.6=70...(10) H GLN 61 - HA LEU 52 far 0 100 0 - 9.1-10.7 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 3 assignments used, quality = 1.00: QD1 LEU 51 + HB2 ARG 54 OK 100 100 100 100 2.7-6.4 2245/5219=84...(19) QD1 LEU 51 + HB2 PRO 34 OK 33 50 80 81 4.5-7.0 4533/4643=35...(9) QD1 LEU 51 - HB3 ARG 17 far 0 48 0 - 9.1-24.2 Violated in 1 structures by 0.02 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 3.7-6.4 4647/4644=85...(18) Violated in 2 structures by 0.07 A. Peak 5146 from cnoeabs.peaks (0.18, 1.76, 30.94 ppm; 6.18 A): 2 out of 3 assignments used, quality = 0.95: QD2 LEU 51 + HB2 ARG 54 OK 92 92 100 100 4.9-7.0 4.0/5219=90, ~5145=80...(19) QD2 LEU 51 + HB2 PRO 34 OK 34 42 90 88 5.2-8.0 4648/4643=36...(9) QD2 LEU 51 - HB3 ARG 17 far 0 41 0 - 8.4-23.0 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 2.2-4.2 2.1/4655=100...(30) Violated in 0 structures by 0.00 A. Peak 5148 from cnoeabs.peaks (1.55, 7.34, 134.10 ppm; 6.23 A): 3 out of 4 assignments used, quality = 1.00: HB3 ARG 54 + QD TYR 55 OK 100 100 100 100 3.0-4.2 4644/2.2=100...(26) HG3 ARG 54 + QD TYR 55 OK 68 68 100 100 2.3-5.5 1.8/4968=94, 3.7/4662=89...(29) HG2 LYS 39 + QD TYR 55 OK 59 100 60 98 6.5-8.8 5939/4601=77...(8) HG LEU 62 - QD TYR 55 far 5 90 5 - 7.5-9.7 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 3.2-5.4 2.1/4590=75, 4586/1.8=74...(20) QD1 ILE 40 - HB3 TYR 55 far 0 78 0 - 7.8-9.7 Violated in 10 structures by 0.21 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 2.3-4.2 4584=99, 4587/2.1=88...(20) 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 2.0-4.8 1.8/4584=93, 4590/2.1=88...(20) HB3 PHE 35 - HG LEU 57 far 4 81 5 - 6.7-9.7 HE2 LYS 32 - HG LEU 57 far 0 78 0 - 7.5-14.4 HE3 LYS 32 - HG LEU 57 far 0 76 0 - 8.3-14.9 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 2.0-4.3 4587=100, 2.5/4636=86...(21) 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 2.7-4.1 2.1/4613=98, 3.1/4986=78...(18) 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 2.1-4.8 5753=92, 5090/1.8=91...(11) 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 13 assignments used, quality = 0.98: HB3 GLN 61 + QD2 LEU 64 OK 84 93 100 90 2.6-4.8 3.0/4504=32...(16) HG3 ARG 27 + QD2 LEU 64 OK 67 95 75 95 2.1-6.1 2.9/5028=33, 2.9/5028=30...(18) HG2 ARG 27 + QD2 LEU 64 OK 57 93 65 94 2.1-6.1 2.9/5028=33, 2.9/5028=30...(18) HG LEU 29 - QD2 LEU 64 far 0 60 0 - 5.8-7.7 HG2 ARG 23 - QD2 LEU 64 far 0 71 0 - 7.0-12.6 HG2 ARG 26 - QD2 LEU 64 far 0 73 0 - 7.0-10.2 HG2 ARG 71 - QD2 LEU 64 far 0 68 0 - 7.9-11.1 HD3 LYS 13 - QD2 LEU 64 far 0 83 0 - 7.9-23.8 HD2 LYS 13 - QD2 LEU 64 far 0 83 0 - 8.1-23.0 HD3 LYS 75 - QD2 LEU 64 far 0 85 0 - 8.9-20.1 HG3 ARG 17 - QD2 LEU 64 far 0 68 0 - 9.5-18.4 HG2 ARG 17 - QD2 LEU 64 far 0 65 0 - 9.7-18.5 HD2 LYS 75 - QD2 LEU 64 far 0 85 0 - 9.9-20.3 Violated in 4 structures by 0.04 A. Peak 5162 from cnoeabs.peaks (1.34, 0.84, 25.67 ppm; 3.82 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 28 + QD2 LEU 64 OK 99 100 100 99 2.4-4.7 5196/6122=53...(22) QG2 THR 58 - QD2 LEU 64 far 3 68 5 - 5.1-8.7 HG3 LYS 32 - QD2 LEU 64 far 0 97 0 - 6.5-7.9 QB ALA 16 - QD2 LEU 64 far 0 81 0 - 6.6-14.1 HB2 LEU 52 - QD2 LEU 64 far 0 100 0 - 7.9-10.3 QB ALA 12 - QD2 LEU 64 far 0 99 0 - 8.7-22.8 HB2 LEU 51 - QD2 LEU 64 far 0 89 0 - 9.8-12.7 Violated in 2 structures by 0.05 A. Peak 5163 from cnoeabs.peaks (1.95, 1.21, 23.08 ppm; 4.67 A): 5 out of 8 assignments used, quality = 1.00: HG LEU 57 + QG2 VAL 65 OK 99 100 100 99 4.4-5.6 ~4707=50, 2.1/4725=48...(13) HB2 LEU 64 + QG2 VAL 65 OK 82 83 100 100 3.2-5.8 4.4/2669=65, 4.0/4715=51...(21) HB3 ARG 66 + QG2 VAL 65 OK 77 97 80 98 5.4-6.6 742/4.1=68, 3.0/5244=67...(10) HG13 ILE 68 + QG2 VAL 65 OK 59 63 95 99 3.5-6.4 ~4761=47, ~5964=42...(22) HB2 MET 31 + QG2 VAL 65 OK 30 90 55 60 4.4-6.9 6121/5965=28...(8) HB3 ARG 70 - QG2 VAL 65 far 0 100 0 - 8.0-11.0 HB VAL 41 - QG2 VAL 65 far 0 78 0 - 8.3-10.8 HB2 ARG 70 - QG2 VAL 65 far 0 100 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 5164 from cnoeabs.peaks (1.90, 1.23, 22.65 ppm; 4.32 A): 4 out of 6 assignments used, quality = 1.00: HB ILE 68 + QG1 VAL 65 OK 99 100 100 100 3.9-5.4 2.1/5964=68, 4704/3.2=42...(26) HG12 ILE 40 + QG1 VAL 65 OK 75 100 75 100 3.4-7.0 2.1/5035=54...(28) HB2 ARG 66 + QG1 VAL 65 OK 64 71 100 91 3.1-5.5 ~5244=37, 741/4.1=36...(11) HG13 ILE 68 + QG1 VAL 65 OK 45 76 60 99 4.0-7.0 3.2/5964=56, ~4761=40...(21) HB3 PRO 34 - QG1 VAL 65 far 0 65 0 - 7.1-9.2 HB VAL 41 - QG1 VAL 65 far 0 60 0 - 7.7-10.1 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 3 assignments used, quality = 1.00: HA ALA 63 + HG3 ARG 66 OK 100 100 100 100 2.2-4.9 4684/2.8=100...(13) HA GLU 59 - HG3 ARG 66 lone 3 83 75 5 6.4-9.6 4638/1494=2 HA ARG 71 - HG3 ARG 66 far 0 97 0 - 8.5-12.7 Violated in 0 structures by 0.00 A. Peak 5166 from cnoeabs.peaks (4.07, 3.19, 43.48 ppm; 4.54 A): 7 out of 36 assignments used, quality = 1.00: HA ALA 63 + HD2 ARG 66 OK 69 99 70 100 2.4-6.7 4684/3.4=66, 5369/3.4=61...(12) HA ALA 63 + HD3 ARG 66 OK 69 99 70 100 2.1-6.9 4684/3.4=66, 5369/3.4=61...(12) HA ARG 71 + HD3 ARG 70 OK 58 90 65 98 5.2-7.9 ~307=37, 5395/3.0=31...(23) HA ARG 71 + HD3 ARG 71 OK 55 55 100 100 2.0-5.0 4.7=92, 2902/1.8=81...(44) HA ARG 26 + HD3 ARG 26 OK 53 53 100 100 3.3-5.5 4.8=85, 1363/3.0=42...(57) HA ARG 26 + HD2 ARG 26 OK 52 52 100 100 2.3-5.5 4.8=85, 1363/3.0=42...(57) HA ARG 71 + HD2 ARG 70 OK 38 87 45 98 5.1-7.6 ~307=37, 5395/3.0=31...(23) HA GLU 25 - HD2 ARG 27 far 3 33 10 - 5.4-9.1 HA ARG 26 - HD3 ARG 27 far 0 45 0 - 6.2-9.1 HA ALA 63 - HD3 ARG 70 far 0 89 0 - 6.5-11.7 HA GLU 25 - HD2 ARG 26 far 0 38 0 - 6.5-8.6 HA GLU 25 - HD3 ARG 27 far 0 33 0 - 6.5-9.1 HA ALA 63 - HD2 ARG 70 far 0 85 0 - 6.6-11.0 HA GLU 59 - HD2 ARG 66 far 0 71 0 - 6.7-11.8 HA ARG 26 - HD2 ARG 27 far 0 45 0 - 6.8-8.4 HA GLU 25 - HD3 ARG 71 far 0 42 0 - 6.9-16.2 HA GLU 25 - HD3 ARG 26 far 0 39 0 - 7.0-8.3 HA ARG 26 - HD2 ARG 23 far 0 38 0 - 7.1-11.0 HA ARG 26 - HD3 ARG 23 far 0 38 0 - 7.3-11.1 HA GLU 59 - HD3 ARG 66 far 0 71 0 - 7.3-11.2 HA ARG 71 - HD3 ARG 23 far 0 37 0 - 7.4-16.0 HA ARG 26 - HD3 ARG 17 far 0 30 0 - 7.9-22.7 HA ALA 63 - HD3 ARG 27 far 0 42 0 - 8.0-13.2 HA ARG 26 - HD2 ARG 17 far 0 30 0 - 8.1-22.8 HA GLU 25 - HD3 ARG 23 far 0 28 0 - 8.2-10.8 HA ARG 71 - HD2 ARG 27 far 0 43 0 - 8.3-14.4 HA ALA 63 - HD2 ARG 27 far 0 42 0 - 8.4-12.3 HA GLU 25 - HD3 ARG 17 far 0 21 0 - 8.7-18.9 HA ARG 71 - HD3 ARG 17 far 0 29 0 - 8.9-29.5 HA GLU 25 - HD2 ARG 23 far 0 28 0 - 9.0-10.8 HA ALA 63 - HD3 ARG 71 far 0 54 0 - 9.1-13.2 HA ARG 71 - HD2 ARG 23 far 0 37 0 - 9.2-16.5 HA ARG 26 - HD3 ARG 71 far 0 56 0 - 9.2-19.3 HA ARG 71 - HD3 ARG 27 far 0 43 0 - 9.3-15.0 HA ARG 71 - HD3 ARG 66 far 0 99 0 - 9.8-13.5 HA ARG 71 - HD2 ARG 17 far 0 29 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 5167 from cnoeabs.peaks (4.06, 2.01, 28.91 ppm; 5.14 A): 1 out of 7 assignments used, quality = 1.00: HA ALA 63 + HG2 ARG 66 OK 100 100 100 100 2.3-5.8 4684/2.8=88, 5370=87...(11) HA GLU 59 - HG2 ARG 66 far 4 83 5 - 6.6-10.2 HA GLU 25 - HB3 GLN 79 far 0 59 0 - 7.0-27.9 HA ARG 71 - HG2 ARG 66 far 0 97 0 - 8.8-12.3 HA ALA 63 - HB3 GLN 79 far 0 89 0 - 9.0-26.2 HD2 PRO 44 - HB3 GLN 79 far 0 52 0 - 9.1-31.5 HA ARG 71 - HB3 GLN 79 far 0 83 0 - 9.6-16.9 Violated in 6 structures by 0.09 A. Peak 5168 from cnoeabs.peaks (1.20, 1.92, 28.80 ppm; 6.19 A): 3 out of 4 assignments used, quality = 0.99: QG2 VAL 65 + HG13 ILE 68 OK 95 95 100 100 3.5-6.4 ~4761=78, ~5964=71...(24) QG2 THR 37 + HG13 ILE 68 OK 63 63 100 100 4.7-7.0 ~4763=75, 4757/2.1=52...(18) HG13 ILE 33 + HG13 ILE 68 OK 57 83 85 80 4.4-9.1 ~5376=64, 4228/4176=21...(8) HG LEU 52 - HG13 ILE 68 far 0 100 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 5170 from cnoeabs.peaks (0.94, 1.61, 28.78 ppm; 5.51 A): 11 out of 33 assignments used, quality = 1.00: QG2 VAL 41 + HD3 LYS 73 OK 95 100 95 100 3.4-7.2 ~4904=64, ~5256=60...(18) QG2 VAL 41 + HD2 LYS 73 OK 90 100 90 100 4.0-7.1 ~4904=64, ~5256=60...(18) QD2 LEU 43 + HD2 LYS 39 OK 60 61 100 100 3.1-6.6 ~5206=58, 4896/3.0=53...(15) QG2 VAL 76 + HD3 LYS 73 OK 59 93 80 80 2.1-11.6 ~5257=38, ~5255=24...(15) QD2 LEU 43 + HD3 LYS 39 OK 58 58 100 100 3.9-6.7 5213/1.8=58, ~5206=58...(15) QG1 VAL 76 + HD2 LYS 73 OK 57 93 80 76 2.9-10.5 ~5257=27, ~5255=22...(17) QG2 VAL 76 + HD2 LYS 73 OK 56 93 75 79 3.5-12.3 ~5257=38, ~5255=24...(16) QG1 VAL 76 + HD3 LYS 73 OK 50 93 70 76 1.9-9.8 ~5257=27, ~5255=22...(16) QG2 ILE 40 + HD3 LYS 39 OK 27 62 55 79 4.5-8.2 4302/3.0=30, 5212/5.0=29...(10) HG12 ILE 68 + HG2 ARG 71 OK 26 89 40 74 4.4-8.9 4.0/5045=38, 5816/5.0=24...(8) QG2 VAL 41 + HG2 ARG 71 OK 20 98 30 69 4.9-8.9 5055/5.0=41, 5834/5.0=24...(8) QG2 ILE 40 - HD2 LYS 39 poor 18 64 35 79 4.7-8.2 4302/3.0=30, 5212/5.0=29...(10) QD1 LEU 64 - HG2 ARG 71 poor 16 78 20 - 6.2-9.3 QG2 ILE 40 - HD2 LYS 73 poor 15 100 55 28 4.8-11.1 5263/6.1=10, 4303/3.5=9 QG2 ILE 40 - HG2 ARG 71 far 15 97 15 - 6.1-10.2 QG2 VAL 76 - HG2 ARG 71 far 13 89 15 - 6.3-13.0 QG2 ILE 40 - HD3 LYS 73 poor 10 100 35 28 4.6-10.6 5263/6.1=10, 4303/3.5=9 QD2 LEU 43 - HD2 LYS 73 far 10 97 10 - 7.0-13.4 QG1 VAL 76 - HG2 ARG 71 far 9 89 10 - 3.8-12.2 QG2 VAL 41 - HD2 LYS 39 far 7 65 10 - 6.6-8.9 QG2 VAL 41 - HD3 LYS 39 far 0 63 0 - 7.1-8.9 QD2 LEU 43 - HD3 LYS 73 far 0 97 0 - 7.9-13.2 QG1 VAL 76 - HD2 LYS 39 far 0 56 0 - 8.1-19.2 QD2 LEU 62 - HD3 LYS 39 far 0 62 0 - 8.6-13.5 QG2 VAL 76 - HD2 LYS 39 far 0 56 0 - 8.8-21.5 QD1 LEU 64 - HD3 LYS 32 far 0 83 0 - 9.0-10.9 QD1 LEU 64 - HD2 LYS 32 far 0 83 0 - 9.2-11.0 HG12 ILE 68 - HD3 LYS 39 far 0 54 0 - 9.2-13.1 QD1 LEU 64 - HD3 LYS 39 far 0 45 0 - 9.2-12.9 QG1 VAL 76 - HD3 LYS 39 far 0 54 0 - 9.5-19.2 QD2 LEU 62 - HD2 LYS 39 far 0 64 0 - 9.6-14.0 HG12 ILE 68 - HD3 LYS 73 far 0 93 0 - 9.7-13.5 HG12 ILE 68 - HD2 LYS 73 far 0 93 0 - 9.9-14.1 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 28 assignments used, quality = 1.00: QG1 VAL 41 + HD3 LYS 73 OK 83 83 100 100 1.9-5.6 4904/2.9=66, 5258/2.9=55...(18) QG1 VAL 41 + HD2 LYS 73 OK 83 83 100 100 1.9-5.3 4904/2.9=66, 5258/2.9=55...(18) QD1 LEU 43 + HD2 LYS 39 OK 56 56 100 100 1.9-5.1 5111/3.5=57, 5109/3.5=53...(20) QD1 LEU 43 + HD3 LYS 39 OK 54 54 100 100 2.2-5.2 5111/3.5=57, 5109/3.5=53...(20) QG2 ILE 68 + HG2 ARG 71 OK 44 96 50 92 3.5-7.6 ~5985=40, 3.2/5045=34...(15) QG2 ILE 68 - HD3 LYS 73 far 15 99 15 - 6.1-9.5 QG2 ILE 68 - HD2 LYS 73 far 5 99 5 - 5.9-10.4 QG1 VAL 41 - HG2 ARG 71 far 4 78 5 - 6.1-10.0 QG2 ILE 89 - HD2 LYS 32 far 3 68 5 - 4.4-49.1 QG2 ILE 89 - HD3 LYS 32 far 3 68 5 - 5.6-50.3 QD2 LEU 29 - HD3 LYS 32 far 3 60 5 - 6.5-10.5 QD1 ILE 89 - HD2 LYS 32 far 0 100 0 - 6.6-49.0 QD2 LEU 29 - HD2 LYS 32 far 0 60 0 - 6.7-10.5 QD1 LEU 43 - HD2 LYS 73 far 0 93 0 - 6.7-13.6 QG2 ILE 68 - HD3 LYS 39 far 0 60 0 - 7.0-9.5 QD1 LEU 43 - HD3 LYS 73 far 0 93 0 - 7.1-14.1 QD2 LEU 64 - HD3 LYS 32 far 0 60 0 - 7.2-9.2 QG2 ILE 68 - HD2 LYS 39 far 0 63 0 - 7.4-9.8 QD1 ILE 89 - HD3 LYS 32 far 0 100 0 - 7.6-50.2 QD2 LEU 64 - HD2 LYS 32 far 0 60 0 - 7.7-9.2 QD2 LEU 64 - HG2 ARG 71 far 0 56 0 - 7.9-11.1 QG1 VAL 41 - HD2 LYS 39 far 0 47 0 - 7.9-10.4 QD2 LEU 29 - HD2 LYS 39 far 0 32 0 - 8.5-15.1 QD2 LEU 29 - HD3 LYS 39 far 0 31 0 - 8.5-14.8 QG1 VAL 41 - HD3 LYS 39 far 0 45 0 - 8.7-10.3 QD2 LEU 64 - HD3 LYS 39 far 0 31 0 - 9.2-12.0 QD2 LEU 86 - HG2 ARG 71 far 0 84 0 - 9.7-35.3 QG2 ILE 89 - HD2 LYS 73 far 0 68 0 - 10.0-32.9 Violated in 0 structures by 0.00 A. Peak 5172 from cnoeabs.peaks (0.16, 3.63, 64.52 ppm; 5.70 A): 0 out of 0 assignments used, quality = 0.00: Peak 5173 from cnoeabs.peaks (0.17, 1.03, 14.28 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.83: QD2 LEU 51 + QD1 ILE 40 OK 83 83 100 100 3.7-4.8 4301/1942=78...(19) Violated in 0 structures by 0.00 A. Peak 5174 from cnoeabs.peaks (0.22, 0.93, 18.83 ppm; 5.89 A): 0 out of 0 assignments used, quality = 0.00: Peak 5175 from cnoeabs.peaks (0.61, 0.93, 18.83 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 51 + QG2 ILE 40 OK 92 92 100 100 5.3-7.0 2.1/4301=100, ~5173=72...(21) Violated in 8 structures by 0.11 A. Peak 5177 from cnoeabs.peaks (1.01, 0.62, 23.89 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.76: QD1 LEU 57 + QD1 LEU 51 OK 65 97 90 75 4.5-6.4 5730/4946=34...(8) QD1 ILE 40 + QD1 LEU 51 OK 31 71 45 99 5.2-7.0 5173/2.1=44, ~4301=42...(18) QG1 VAL 45 - QD1 LEU 51 far 0 83 0 - 8.9-9.9 Violated in 18 structures by 0.58 A. Peak 5178 from cnoeabs.peaks (1.88, 0.19, 24.73 ppm; 5.16 A): 3 out of 6 assignments used, quality = 0.95: HB2 LYS 39 + QD2 LEU 51 OK 81 81 100 100 1.9-5.9 1.8/5205=87, 5204=79...(20) HG12 ILE 40 + QD2 LEU 51 OK 60 60 100 100 2.9-4.9 2.1/5173=65, 3.2/4301=64...(16) HB3 PRO 34 + QD2 LEU 51 OK 34 100 35 96 5.2-7.5 4667/4648=68...(8) HB ILE 68 - QD2 LEU 51 far 0 81 0 - 6.8-8.7 HB3 PRO 14 - QD2 LEU 51 far 0 97 0 - 7.8-23.3 HB2 ARG 66 - QD2 LEU 51 far 0 100 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 5186 from cnoeabs.peaks (0.80, 4.09, 58.48 ppm; 4.90 A): 4 out of 13 assignments used, quality = 0.95: QD1 ILE 68 + HA GLU 25 OK 75 92 100 81 3.8-6.0 4758/4181=52...(5) QG2 ILE 68 + HA GLU 25 OK 62 95 85 77 3.9-6.7 4754/5105=69, ~5377=12...(4) QD1 ILE 68 + HA ARG 27 OK 31 46 75 91 5.0-6.8 4758/5.0=53, 5974/3.0=40...(6) QG2 ILE 68 + HA ARG 71 OK 20 84 25 95 5.1-7.3 5056/3.6=40, ~15389=38...(15) QG1 VAL 41 - HA ARG 71 far 14 93 15 - 6.1-8.5 QD1 ILE 68 - HA ARG 71 far 4 81 5 - 5.6-9.2 QD1 ILE 89 - HA ARG 26 far 3 67 5 - 5.3-46.8 QD1 ILE 68 - HA ARG 26 far 0 67 0 - 6.7-8.5 QD1 ILE 89 - HA ARG 27 far 0 46 0 - 7.2-47.2 QD1 ILE 89 - HA GLU 25 far 0 92 0 - 7.2-42.8 QG2 ILE 68 - HA ARG 27 far 0 48 0 - 7.3-9.7 QG2 ILE 68 - HA ARG 26 far 0 70 0 - 7.7-10.2 QG1 VAL 41 - HA GLU 25 far 0 100 0 - 8.3-11.5 Violated in 1 structures by 0.01 A. Peak 5187 from cnoeabs.peaks (4.48, 1.85, 30.20 ppm; 3.98 A): 6 out of 15 assignments used, quality = 1.00: HA ASP 24 + HB2 ARG 27 OK 92 100 100 92 2.2-5.0 5383/4.1=42, 4157=32...(14) HA ASP 24 + HB3 ARG 27 OK 88 100 95 92 3.4-5.8 5383/4.1=42, 6057/4.3=32...(16) HA ASP 24 + HB3 ARG 23 OK 58 83 90 78 3.9-5.6 3.0/45=27, 4157=22...(12) HA ASP 67 + HB2 ARG 66 OK 52 58 95 94 4.2-5.7 4742/1.8=30, 3.0/278=27...(20) HA ASP 24 + HB2 ARG 23 OK 44 82 70 78 4.0-5.7 3.0/45=27, 4157/1.8=19...(12) HA ASP 67 + HB2 ARG 71 OK 36 98 75 49 3.5-6.7 5838/4.0=32, 5050/2.8=19...(4) HA ASP 67 - HB3 ARG 71 poor 16 99 35 47 4.4-7.8 5838/4.0=32, 5050/2.8=19 HA ASP 24 - HB2 ARG 26 poor 15 56 40 68 4.6-7.2 4169/3.9=39, 5383/4.6=36...(5) HA ASP 24 - HB3 ARG 71 far 5 100 5 - 4.0-10.2 HA ASP 24 - HB2 ARG 71 far 5 100 5 - 4.9-9.4 HA ASP 24 - HB3 ARG 26 far 0 54 0 - 5.7-7.6 HA ASP 67 - HB3 ARG 27 far 0 99 0 - 8.4-10.8 HA ASP 67 - HB2 ARG 27 far 0 99 0 - 8.5-11.2 HA TYR 81 - HB2 ARG 66 far 0 36 0 - 8.6-26.9 HA TYR 81 - HB3 ARG 71 far 0 71 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 5188 from cnoeabs.peaks (7.89, 4.16, 56.71 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.88: H ILE 33 + HA LEU 29 OK 88 92 100 96 3.4-4.3 5179=69, 5303/4183=54...(7) 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 6 assignments used, quality = 0.99: QE MET 31 + HA MET 31 OK 99 99 100 100 2.1-4.3 5080=89, 3.3/1529=62...(11) HB2 LEU 64 - HA MET 31 far 4 73 5 - 5.5-7.7 HG3 PRO 14 - HA MET 31 far 0 97 0 - 6.3-23.5 HB3 MET 11 - HA MET 31 far 0 97 0 - 6.4-32.5 HG2 PRO 14 - HA MET 31 far 0 97 0 - 7.2-22.2 HB VAL 90 - HA MET 31 far 0 76 0 - 8.7-55.9 Violated in 1 structures by 0.01 A. Peak 5190 from cnoeabs.peaks (2.00, 2.63, 32.57 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: QE MET 31 + HG2 MET 31 OK 99 99 100 100 2.1-3.4 3.3=100 HB2 LEU 64 + HG2 MET 31 OK 57 73 80 98 2.2-5.5 3.1/4198=48, 3.1/5310=33...(23) HG2 ARG 66 - HG2 MET 31 far 0 92 0 - 8.5-13.2 HG3 PRO 14 - HG2 MET 31 far 0 97 0 - 8.5-25.5 HG2 PRO 14 - HG2 MET 31 far 0 97 0 - 8.6-23.9 HB3 MET 11 - HG2 MET 31 far 0 97 0 - 8.9-35.0 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 5 assignments used, quality = 0.98: QE MET 31 + HG3 MET 31 OK 97 97 100 100 2.4-3.4 3.3=100 HB2 LEU 64 + HG3 MET 31 OK 39 60 65 99 3.3-6.0 3.1/4200=51, ~4198=34...(23) HB3 MET 11 - HG3 MET 31 far 0 99 0 - 7.3-33.9 HG3 PRO 14 - HG3 MET 31 far 0 90 0 - 8.0-25.9 HG2 PRO 14 - HG3 MET 31 far 0 90 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 5195 from cnoeabs.peaks (1.33, 0.31, 17.04 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 28 + QG2 ILE 33 OK 100 100 100 100 2.6-4.1 4180/2.1=88, 4179=71...(19) QB ALA 16 - QG2 ILE 33 far 7 73 10 - 4.6-15.9 HB2 LEU 52 - QG2 ILE 33 far 0 100 0 - 6.4-8.8 QG2 THR 58 - QG2 ILE 33 far 0 76 0 - 6.7-8.7 HB2 LEU 51 - QG2 ILE 33 far 0 93 0 - 6.8-9.1 HG3 LYS 32 - QG2 ILE 33 far 0 99 0 - 7.0-8.0 HG2 ARG 54 - QG2 ILE 33 far 0 60 0 - 8.6-11.6 QB ALA 12 - QG2 ILE 33 far 0 100 0 - 9.3-20.4 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 8 assignments used, quality = 1.00: QB ALA 28 + QD1 ILE 33 OK 100 100 100 100 2.1-3.9 4178=63, 4180/3.2=56...(18) QG2 THR 58 - QD1 ILE 33 far 0 76 0 - 5.2-7.7 HG3 LYS 32 - QD1 ILE 33 far 0 99 0 - 5.3-7.1 QB ALA 16 - QD1 ILE 33 far 0 73 0 - 6.2-15.3 HB2 LEU 52 - QD1 ILE 33 far 0 100 0 - 6.9-8.9 HB2 LEU 51 - QD1 ILE 33 far 0 93 0 - 8.1-10.9 QB ALA 12 - QD1 ILE 33 far 0 100 0 - 9.2-21.3 HG2 ARG 54 - QD1 ILE 33 far 0 60 0 - 9.7-12.8 Violated in 11 structures by 0.05 A. Peak 5197 from cnoeabs.peaks (1.18, 0.31, 17.04 ppm; 3.32 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 37 - QG2 ILE 33 far 10 100 10 - 4.7-6.4 QG2 THR 15 - QG2 ILE 33 far 0 90 0 - 6.2-16.2 HG LEU 52 - QG2 ILE 33 far 0 83 0 - 6.4-8.4 QG2 THR 88 - QG2 ILE 33 far 0 60 0 - 10.0-33.6 Violated in 20 structures by 1.93 A. Peak 5198 from cnoeabs.peaks (6.95, 3.54, 50.48 ppm; 5.53 A): 3 out of 6 assignments used, quality = 1.00: QE PHE 35 + HD3 PRO 34 OK 100 100 100 100 2.6-5.1 4687/1.8=97, 4583/4.1=83...(25) HZ PHE 35 + HD3 PRO 34 OK 100 100 100 100 4.0-6.4 ~4687=73, 4596/4.1=70...(16) QE PHE 35 + HD3 PRO 36 OK 40 45 90 100 6.0-7.1 ~5578=69, 4.5/4257=61...(12) HZ PHE 35 - HD3 PRO 36 far 0 45 0 - 7.7-8.9 HZ PHE 48 - HD3 PRO 34 far 0 100 0 - 9.0-12.1 HD22 ASN 42 - HD3 PRO 36 far 0 42 0 - 9.4-11.8 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 3 assignments used, quality = 1.00: QE PHE 35 + HD2 PRO 34 OK 100 100 100 100 2.5-4.3 2.2/4649=77, 4583/4.1=76...(27) HZ PHE 35 + HD2 PRO 34 OK 100 100 100 100 3.7-5.7 4596/4.1=63...(17) HZ PHE 48 - HD2 PRO 34 far 0 100 0 - 7.8-13.0 Violated in 0 structures by 0.00 A. Peak 5202 from cnoeabs.peaks (2.77, 4.25, 57.41 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.99: HB3 ASN 42 + HA LYS 39 OK 93 97 100 95 2.0-3.8 4.4/4371=56, 4.1/5790=54...(9) HB2 ASN 42 + HA LYS 39 OK 91 96 100 95 3.5-4.9 4.4/4371=56, 4.1/5790=54...(8) Violated in 0 structures by 0.00 A. Peak 5203 from cnoeabs.peaks (0.61, 1.85, 32.41 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.89: QD1 LEU 51 + HB2 LYS 39 OK 89 89 100 100 2.0-6.5 2.1/5204=93, ~5205=74...(18) Violated in 5 structures by 0.11 A. Peak 5204 from cnoeabs.peaks (0.20, 1.85, 32.41 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 51 + HB2 LYS 39 OK 98 98 100 100 1.9-5.9 5205/1.8=69...(19) Violated in 8 structures by 0.27 A. Peak 5205 from cnoeabs.peaks (0.19, 1.78, 32.41 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 51 + HB3 LYS 39 OK 95 100 95 100 2.0-6.4 5204/1.8=68...(22) QD2 LEU 51 - HB2 LYS 13 far 5 98 5 - 5.8-26.3 Violated in 9 structures by 0.31 A. Peak 5206 from cnoeabs.peaks (0.84, 1.40, 25.35 ppm; 4.79 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 43 + HG3 LYS 39 OK 99 99 100 100 1.9-4.4 5111/2.9=75, 5109/2.9=69...(20) QG2 ILE 68 - HG3 LYS 39 far 3 63 5 - 5.7-9.5 QD2 LEU 64 - HG3 LYS 39 far 0 99 0 - 9.3-12.3 QD1 ILE 89 - HG3 LYS 39 far 0 68 0 - 9.5-40.3 QD2 LEU 29 - HG3 LYS 39 far 0 99 0 - 9.9-13.4 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 3 assignments used, quality = 1.00: HD3 PRO 36 + HG3 LYS 39 OK 100 100 100 100 2.7-6.5 5208/1.8=93, 3.0/4876=71...(25) HA VAL 41 - HG3 LYS 39 poor 15 96 55 29 6.9-9.5 5210/4302=27 HD3 PRO 34 - HG3 LYS 39 far 0 68 0 - 9.8-12.3 Violated in 4 structures by 0.09 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 2.0-6.1 5207/1.8=57, ~5104=50...(30) HA VAL 41 - HG2 LYS 39 far 0 99 0 - 7.3-10.2 Violated in 3 structures by 0.06 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 1.9-4.3 ~5586=44, ~4876=43...(29) HD3 PRO 36 + HD2 LYS 39 OK 83 83 100 100 2.0-5.2 ~5586=44, ~4876=43...(29) HD3 PRO 34 - HD2 LYS 32 poor 15 61 25 - 5.8-9.3 HD3 PRO 34 - HD3 LYS 39 far 0 99 0 - 8.9-10.8 HD3 PRO 34 - HD2 LYS 39 far 0 99 0 - 9.4-12.1 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 78 100 100 3.1-4.0 3.0/3816=51, 1968=39...(34) HD3 PRO 36 - QG2 ILE 40 far 0 97 0 - 7.0-9.2 HD3 PRO 34 - QG2 ILE 40 far 0 90 0 - 8.4-9.8 Violated in 1 structures by 0.00 A. Peak 5212 from cnoeabs.peaks (4.25, 0.93, 18.83 ppm; 5.35 A): 2 out of 7 assignments used, quality = 1.00: HA LYS 39 + QG2 ILE 40 OK 99 100 100 99 6.0-6.1 3.6/1936=83, 6082/4.4=33...(19) HB THR 37 + QG2 ILE 40 OK 78 78 100 100 4.5-6.5 3.0/4310=88, 4282/3.0=66...(20) HA LEU 64 - QG2 ILE 40 far 14 92 15 - 6.7-8.1 HA ALA 77 - QG2 ILE 40 far 0 96 0 - 8.1-15.7 HA ALA 20 - QG2 ILE 40 far 0 90 0 - 8.2-17.6 HA THR 15 - QG2 ILE 40 far 0 100 0 - 9.6-22.6 HA LYS 75 - QG2 ILE 40 far 0 100 0 - 9.8-12.6 Violated in 1 structures by 0.01 A. Peak 5213 from cnoeabs.peaks (1.57, 0.94, 22.80 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.85: HD2 LYS 39 + QD2 LEU 43 OK 72 93 80 96 3.1-6.6 3.0/4896=33, ~5206=32...(16) HG2 LYS 39 + QD2 LEU 43 OK 47 81 60 98 3.7-6.5 ~5206=42, 1.8/4896=39...(17) HD3 LYS 39 - QD2 LEU 43 poor 19 95 20 - 3.9-6.7 HG3 ARG 54 - QD2 LEU 43 far 0 99 0 - 8.0-9.9 HB3 ARG 54 - QD2 LEU 43 far 0 81 0 - 8.3-10.2 Violated in 13 structures by 0.30 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: HB3 LEU 51 + QD1 LEU 43 OK 79 99 100 80 2.5-4.4 3.1/4917=39...(8) HD2 LYS 39 + QD1 LEU 43 OK 72 98 80 92 1.9-5.1 3.5/5111=27, 3.5/5109=25...(20) HD3 LYS 39 + QD1 LEU 43 OK 67 97 75 92 2.2-5.2 3.5/5111=27, 3.5/5109=25...(20) HG3 ARG 54 - QD1 LEU 43 far 0 90 0 - 6.0-9.2 HD2 LYS 73 - QD1 LEU 43 far 0 87 0 - 6.7-13.6 HD3 LYS 73 - QD1 LEU 43 far 0 87 0 - 7.1-14.1 HG LEU 62 - QD1 LEU 43 far 0 68 0 - 9.4-12.5 Violated in 8 structures by 0.04 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 5.2-5.4 5654/2.3=81, 630/156=78...(15) QD1 LEU 64 - HB3 PRO 36 far 0 40 0 - 8.4-11.4 QD1 LEU 57 - HB3 PRO 36 far 0 39 0 - 9.6-11.4 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 = 0.81: QD2 LEU 43 + HB3 PRO 44 OK 64 99 65 100 5.2-6.3 4388/3.0=79, 5642/2.3=56...(15) QD1 LEU 64 + HB3 MET 31 OK 46 46 100 100 4.2-5.4 ~6121=64, 5310/3.0=59...(15) QD2 LEU 62 - HB3 MET 31 far 0 30 0 - 8.1-10.0 QG2 ILE 40 - HB3 PRO 44 far 0 78 0 - 8.4-9.8 QG2 ILE 40 - HB3 MET 31 far 0 30 0 - 8.8-10.7 QG2 VAL 41 - HB3 PRO 44 far 0 89 0 - 9.6-10.6 Violated in 12 structures by 0.08 A. Peak 5218 from cnoeabs.peaks (3.65, 7.07, 131.51 ppm; 5.86 A): 4 out of 4 assignments used, quality = 1.00: HA ILE 40 + QD PHE 48 OK 93 93 100 100 2.0-3.6 4325=95, 5120/2.2=94...(24) HA VAL 65 + QD PHE 48 OK 85 91 95 99 6.4-7.4 ~4718=72, 5033/5619=61...(15) HA ARG 69 + QD PHE 48 OK 78 87 95 94 5.8-7.5 ~5979=54, 4.6/5823=34...(13) HD3 PRO 44 + QD PHE 48 OK 51 74 70 99 5.9-8.0 4388/4919=67...(8) 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 6 assignments used, quality = 1.00: HB2 ARG 54 + HA LEU 51 OK 100 100 100 100 2.0-4.2 1.8/5220=81, 676/4567=55...(19) HB3 LYS 39 - HA LEU 51 far 0 78 0 - 6.7-11.2 HG2 PRO 34 - HA LEU 51 far 0 100 0 - 6.9-9.2 HB2 PRO 34 - HA LEU 51 far 0 85 0 - 7.1-10.4 HB2 LEU 57 - HA LEU 51 far 0 99 0 - 7.6-11.0 HB2 LYS 13 - HA LEU 51 far 0 60 0 - 8.3-35.4 Violated in 1 structures by 0.00 A. Peak 5220 from cnoeabs.peaks (1.54, 3.89, 57.93 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.95: HB3 ARG 54 + HA LEU 51 OK 95 96 100 100 3.5-4.7 1.8/5219=70, 4569=63...(16) HG2 LYS 39 - HA LEU 51 far 0 96 0 - 6.5-9.7 Violated in 14 structures by 0.24 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 4.0-6.3 4916/3.1=77, ~4917=60...(8) QG2 ILE 40 + HB3 LEU 51 OK 81 96 85 99 4.7-7.3 4301/3.1=73, 5175/3.1=42...(13) QD2 LEU 62 - HB3 LEU 51 far 0 96 0 - 6.6-9.3 QG2 VAL 41 - HB3 LEU 51 far 0 99 0 - 8.7-9.9 QG1 VAL 76 - HB3 LEU 51 far 0 81 0 - 9.7-18.0 Violated in 8 structures by 0.08 A. Peak 5222 from cnoeabs.peaks (4.01, 0.89, 26.17 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.98: HA PHE 48 + HG LEU 51 OK 92 92 100 100 4.4-5.3 4521/2.1=91, 4524/3.0=89...(10) HA ARG 54 + HG LEU 51 OK 79 99 80 100 6.2-7.6 ~5145=57, 4662/4655=49...(14) HD2 PRO 44 - HG LEU 51 far 0 73 0 - 9.0-11.3 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 2.0-4.3 4647/2.1=99, 5726=96...(15) HE22 GLN 61 - HG LEU 51 far 0 97 0 - 9.2-11.4 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 2.8-4.4 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 4.2-6.1 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 2.8-4.4 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 = 0.99: HG2 GLN 61 + QG2 THR 58 OK 99 100 100 99 1.9-4.1 3.0/4627=64, 713/4658=56...(10) HG2 MET 31 - QG2 THR 58 far 0 65 0 - 6.2-10.8 Violated in 0 structures by 0.00 A. Peak 5232 from cnoeabs.peaks (1.99, 3.96, 59.26 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: QE MET 31 + HA GLN 61 OK 99 100 100 99 1.9-3.5 5079=68, 5082/4687=33...(21) HB2 LEU 64 + HA GLN 61 OK 87 92 100 94 2.6-3.7 4.0/4687=36, 4695=30...(20) HG2 ARG 66 - HA GLN 61 far 0 73 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 5233 from cnoeabs.peaks (1.97, 2.60, 34.98 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.97: HB2 LEU 64 + HG2 GLN 61 OK 82 100 90 91 5.3-6.9 4695/4.0=40, 5234/1.8=35...(10) QE MET 31 + HG2 GLN 61 OK 80 81 100 99 2.1-4.6 5930/3.5=50, 5079/4.0=43...(17) HG LEU 57 + HG2 GLN 61 OK 28 93 30 100 6.3-8.2 ~4985=57, 2.1/5955=57...(22) Violated in 0 structures by 0.00 A. Peak 5234 from cnoeabs.peaks (1.97, 2.16, 34.98 ppm; 5.52 A): 3 out of 5 assignments used, quality = 0.99: HB2 LEU 64 + HG3 GLN 61 OK 94 100 100 94 4.4-6.8 5025/4224=48...(11) QE MET 31 + HG3 GLN 61 OK 80 81 100 99 1.9-5.2 5930/3.5=56...(14) HG LEU 57 + HG3 GLN 61 OK 23 93 25 100 6.3-8.1 ~4985=65, ~5955=63...(21) HG3 PRO 14 - HG3 GLN 61 far 0 90 0 - 9.4-26.8 HG2 PRO 14 - HG3 GLN 61 far 0 90 0 - 9.6-25.4 Violated in 0 structures by 0.00 A. Peak 5236 from cnoeabs.peaks (0.46, 1.57, 26.98 ppm; 6.26 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 52 + HG LEU 62 OK 92 92 100 100 2.6-4.9 ~5237=92, 4680/2.1=86...(17) QD1 LEU 52 - HG3 ARG 54 far 12 78 15 - 6.9-9.0 QD1 LEU 52 - HG LEU 64 lone 2 55 40 9 6.5-9.2 5315/5792=5, 5314/5792=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 = 0.95: QD2 LEU 52 + QD2 LEU 62 OK 95 100 95 100 1.9-5.4 2.1/4680=70, 3.1/5004=50...(22) Violated in 12 structures by 0.35 A. Peak 5238 from cnoeabs.peaks (2.37, 1.57, 26.98 ppm; 5.54 A): 3 out of 4 assignments used, quality = 0.93: HB VAL 65 + HG LEU 62 OK 82 83 100 99 3.8-5.6 4998/2586=67...(11) HB VAL 65 + HG LEU 64 OK 47 47 100 100 3.2-5.9 3.0/5032=61, 4698/4.8=57...(15) HG2 GLU 59 + HG LEU 62 OK 22 57 50 79 5.3-9.0 4642/2.1=45, 5001/2.1=24...(5) HG2 GLU 50 - HG3 ARG 54 poor 20 90 95 23 2.5-7.4 4942/2331=12, 4942/4.9=11 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 6 assignments used, quality = 0.97: HB VAL 65 + QD1 LEU 62 OK 90 90 100 100 5.1-6.1 4998/2600=83...(13) HG2 GLU 59 + QD1 LEU 62 OK 68 68 100 99 3.2-6.7 4.2/5365=88, 4642=68...(6) HG2 GLU 59 - QD1 LEU 86 far 3 55 5 - 5.3-42.7 HG3 MET 11 - QD1 LEU 29 far 0 85 0 - 8.0-26.7 HB VAL 65 - QD1 LEU 86 far 0 76 0 - 8.9-37.8 HG2 GLU 50 - QD1 LEU 62 far 0 100 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 5240 from cnoeabs.peaks (2.61, 4.26, 57.87 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.92: HG2 MET 31 + HA LEU 64 OK 92 92 100 100 4.3-7.4 5310/2648=91...(10) HB3 ASP 24 - HA LEU 64 far 8 78 10 - 7.6-12.1 HG2 GLN 61 - HA LEU 64 far 5 98 5 - 7.9-9.5 Violated in 9 structures by 0.27 A. Peak 5242 from cnoeabs.peaks (0.78, 1.54, 27.08 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 68 + HG LEU 64 OK 100 100 100 100 1.9-4.0 4759=98, 5252/3.0=45...(13) QD1 ILE 68 - HG3 ARG 23 far 0 87 0 - 6.0-11.3 QG1 VAL 41 - HG2 ARG 82 far 0 78 0 - 6.9-19.2 QD1 ILE 68 - HG LEU 62 far 0 65 0 - 7.5-10.5 QG1 VAL 41 - HG LEU 64 far 0 87 0 - 9.0-11.8 Violated in 5 structures by 0.04 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 4.6-5.4 ~273=49, 3.6/4714=48...(19) HA LYS 32 - QG2 VAL 65 far 0 85 0 - 7.2-9.0 HA ARG 70 - QG2 VAL 65 far 0 99 0 - 9.1-10.9 HA ARG 54 - QG2 VAL 65 far 0 96 0 - 9.1-10.8 Violated in 20 structures by 0.46 A. Peak 5246 from cnoeabs.peaks (1.02, 1.90, 38.07 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 40 + HB ILE 68 OK 96 96 100 100 1.9-3.5 5249/2.1=88, 5247/3.2=54...(35) QD1 LEU 57 - HB ILE 68 far 0 76 0 - 7.0-8.9 HG3 PRO 34 - HB ILE 68 far 0 71 0 - 9.2-12.0 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 1.8-3.8 5249/2.9=54...(28) HG3 PRO 34 - QD1 ILE 68 far 0 99 0 - 6.4-9.5 Violated in 2 structures by 0.02 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 1.9-3.6 4299=55, 5247/2.9=50...(38) HG3 PRO 34 - QG2 ILE 68 far 0 92 0 - 7.9-11.2 Violated in 1 structures by 0.01 A. Peak 5251 from cnoeabs.peaks (1.69, 0.78, 13.95 ppm; 4.50 A): 1 out of 10 assignments used, quality = 0.97: HB3 LEU 64 + QD1 ILE 68 OK 97 98 100 99 3.6-4.9 3.0/4759=80, 1.8/5252=79...(13) HG2 ARG 70 - QD1 ILE 68 far 4 83 5 - 5.6-9.5 HB3 GLN 61 - QD1 ILE 68 far 3 60 5 - 5.9-8.5 HG3 ARG 66 - QD1 ILE 68 far 0 99 0 - 6.1-8.2 HG LEU 29 - QD1 ILE 68 far 0 93 0 - 6.3-8.8 HD2 LYS 75 - QD1 ILE 68 far 0 73 0 - 6.4-17.4 HD3 LYS 75 - QD1 ILE 68 far 0 73 0 - 6.4-17.4 HG2 ARG 23 - QD1 ILE 68 far 0 87 0 - 6.8-11.5 HB2 LEU 29 - QD1 ILE 68 far 0 63 0 - 7.1-9.3 HB3 LYS 13 - QD1 ILE 68 far 0 99 0 - 9.9-26.3 Violated in 5 structures by 0.05 A. Peak 5252 from cnoeabs.peaks (1.98, 0.78, 13.95 ppm; 3.91 A): 1 out of 11 assignments used, quality = 0.90: HB2 LEU 64 + QD1 ILE 68 OK 90 96 100 94 3.9-5.4 3.0/4759=65, 1.8/5251=59...(9) QE MET 31 - QD1 ILE 68 poor 14 99 30 46 4.7-7.5 2628/5251=18...(5) HB3 ARG 70 - QD1 ILE 68 far 0 60 0 - 5.9-9.5 HG2 ARG 66 - QD1 ILE 68 far 0 65 0 - 6.3-7.7 HB2 ARG 70 - QD1 ILE 68 far 0 60 0 - 6.5-9.6 HG LEU 57 - QD1 ILE 68 far 0 60 0 - 8.5-10.7 HG2 PRO 14 - QD1 ILE 68 far 0 100 0 - 8.5-22.5 HG3 PRO 14 - QD1 ILE 68 far 0 100 0 - 8.7-22.9 HB3 GLN 79 - QD1 ILE 68 far 0 97 0 - 9.0-19.5 HG LEU 43 - QD1 ILE 68 far 0 100 0 - 9.1-11.4 HB2 GLN 79 - QD1 ILE 68 far 0 89 0 - 9.4-20.1 Violated in 20 structures by 0.62 A. Peak 5253 from cnoeabs.peaks (3.57, 1.38, 27.02 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 41 + HG3 ARG 69 OK 98 99 100 100 2.2-5.8 4342/1.8=72, ~4903=43...(25) Violated in 10 structures by 0.33 A. Peak 5254 from cnoeabs.peaks (3.58, 1.24, 27.02 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 41 + HG2 ARG 69 OK 100 100 100 100 2.5-4.7 5253/1.8=86, 4342=76...(22) HD3 PRO 36 - HG13 ILE 33 far 0 60 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 5255 from cnoeabs.peaks (0.90, 1.48, 24.53 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.72: QG1 VAL 76 + HG2 LYS 73 OK 49 73 75 88 3.0-8.0 5257/1.8=56, ~5257=30...(18) QG2 VAL 76 + HG2 LYS 73 OK 45 73 70 87 4.0-9.8 ~5257=42, 5257/1.8=40...(18) QD1 LEU 86 - HG3 LYS 85 poor 13 66 60 32 4.9-8.3 ~5262=9, ~1856=9...(8) QD1 LEU 29 - HG3 LYS 13 poor 8 62 35 35 3.3-23.7 ~5329=28, 5328/2.9=7, 3.1/3466=2 HG12 ILE 68 - HG2 LYS 73 far 0 73 0 - 9.0-12.2 QD1 LEU 29 - HG3 LYS 85 far 0 56 0 - 9.0-39.2 QG2 VAL 90 - HG3 LYS 85 far 0 70 0 - 9.1-15.9 HG LEU 51 - HG3 LYS 13 far 0 75 0 - 9.8-34.3 Violated in 6 structures by 0.30 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 1.9-4.6 4904=99, 5258/1.8=74...(18) QG2 ILE 68 - HG2 LYS 73 far 5 98 5 - 5.5-8.6 QD1 ILE 89 - HG3 LYS 85 far 3 64 5 - 5.1-12.6 QD1 LEU 43 - HG3 LYS 13 far 2 37 5 - 6.0-28.6 QD1 LEU 43 - HG2 LYS 73 far 0 57 0 - 7.5-12.8 QD1 ILE 68 - HG2 LYS 73 far 0 85 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 5257 from cnoeabs.peaks (0.89, 1.39, 24.53 ppm; 4.13 A): 1 out of 19 assignments used, quality = 0.23: QG1 VAL 76 + HG3 LYS 73 OK 23 63 55 67 3.1-9.0 5255/1.8=22, ~5255=15...(16) QG2 VAL 76 - HG2 LYS 75 poor 19 31 60 - 3.4-7.6 QG2 VAL 76 - HG3 LYS 73 poor 17 63 40 66 3.4-10.8 5255/1.8=20, ~5255=17...(16) QG2 VAL 76 - HG3 LYS 75 poor 16 31 50 - 2.2-7.6 QG1 VAL 76 - HG3 LYS 75 poor 16 31 50 - 2.7-7.7 QD1 LEU 86 - HG2 LYS 85 far 14 96 15 - 4.6-8.3 QG1 VAL 76 - HG2 LYS 75 poor 13 31 40 - 2.1-7.3 HG12 ILE 68 - HG2 LYS 75 far 2 31 5 - 5.5-19.0 QG1 VAL 76 - HG2 LYS 83 far 0 42 0 - 5.9-18.4 QD1 LEU 86 - HG2 LYS 83 far 0 78 0 - 5.9-13.2 HG12 ILE 68 - HG3 LYS 75 far 0 31 0 - 6.1-18.7 QD1 LEU 29 - HG2 LYS 85 far 0 90 0 - 8.2-39.8 QG2 VAL 76 - HG2 LYS 83 far 0 42 0 - 8.3-19.7 QG2 VAL 90 - HG2 LYS 85 far 0 96 0 - 8.6-15.8 QD1 LEU 29 - HG2 LYS 75 far 0 53 0 - 9.1-23.6 QD1 LEU 29 - HG3 LYS 75 far 0 53 0 - 9.2-23.8 HG12 ILE 68 - HG3 LYS 73 far 0 63 0 - 9.5-13.2 QG1 VAL 76 - HG2 LYS 85 far 0 58 0 - 9.7-22.0 QD1 LEU 62 - HG2 LYS 83 far 0 60 0 - 10.0-35.3 Violated in 16 structures by 1.67 A. Peak 5258 from cnoeabs.peaks (0.80, 1.39, 24.53 ppm; 4.86 A): 1 out of 14 assignments used, quality = 1.00: QG1 VAL 41 + HG3 LYS 73 OK 100 100 100 100 1.9-4.1 4904/1.8=92, 5626/3.8=64...(20) QG1 VAL 41 - HG3 LYS 75 poor 15 60 25 - 4.8-9.5 QG2 ILE 68 - HG3 LYS 73 far 15 98 15 - 6.0-9.2 QG2 ILE 68 - HG3 LYS 75 poor 11 57 20 - 5.5-14.0 QD1 ILE 89 - HG2 LYS 85 far 9 92 10 - 5.0-12.4 QG1 VAL 41 - HG2 LYS 75 far 6 60 10 - 5.4-10.9 QG2 ILE 68 - HG2 LYS 75 far 6 57 10 - 5.0-13.9 QD1 ILE 68 - HG2 LYS 75 far 2 45 5 - 6.1-16.7 QD1 ILE 68 - HG3 LYS 75 far 0 45 0 - 7.0-16.8 QG1 VAL 41 - HG2 LYS 83 far 0 78 0 - 7.9-24.1 QD1 ILE 89 - HG2 LYS 75 far 0 56 0 - 8.3-32.4 QD1 LEU 43 - HG3 LYS 73 far 0 57 0 - 8.3-12.6 QD1 ILE 68 - HG3 LYS 73 far 0 85 0 - 8.8-11.9 QD1 ILE 89 - HG3 LYS 75 far 0 56 0 - 9.4-31.2 Violated in 0 structures by 0.00 A. Peak 5260 from cnoeabs.peaks (0.81, 1.78, 32.45 ppm; 4.23 A): 3 out of 18 assignments used, quality = 0.99: QG1 VAL 41 + HB3 LYS 73 OK 90 90 100 100 2.8-4.4 4904/2.9=56, 5626/3.0=52...(22) QD1 LEU 43 + HB3 LYS 39 OK 82 85 100 97 2.9-5.0 5357/3.0=52...(13) QG1 VAL 41 + HB3 LYS 75 OK 20 79 50 52 4.1-10.2 4339/16032=27, 4346=15...(10) QG2 ILE 68 - HB3 LYS 75 poor 18 92 20 - 4.4-13.5 QD2 LEU 86 - HB2 LYS 85 poor 14 46 30 - 4.4-7.4 QG2 ILE 68 - HB3 LYS 73 poor 12 100 25 49 4.5-8.5 5264/788=24...(9) QD1 LEU 43 - HB2 LYS 13 far 4 78 5 - 3.9-27.4 QG2 ILE 68 - HB3 LYS 39 far 0 99 0 - 6.0-8.3 QD1 ILE 89 - HB2 LYS 85 far 0 66 0 - 6.4-12.0 QD2 LEU 86 - HB2 LYS 83 far 0 74 0 - 7.0-12.7 QG1 VAL 41 - HB3 LYS 39 far 0 89 0 - 8.0-8.4 QG1 VAL 41 - HB2 LYS 83 far 0 84 0 - 8.5-22.6 QD1 ILE 89 - HB3 LYS 39 far 0 99 0 - 8.6-41.5 QG2 ILE 89 - HB2 LYS 85 far 0 31 0 - 8.9-13.1 QG2 ILE 89 - HB3 LYS 39 far 0 56 0 - 9.3-40.4 QD1 LEU 43 - HB3 LYS 73 far 0 87 0 - 9.3-12.8 QD2 LEU 86 - HB3 LYS 39 far 0 79 0 - 9.3-34.1 QG2 ILE 89 - HB3 LYS 75 far 0 48 0 - 9.6-33.8 Violated in 0 structures by 0.00 A. Peak 5261 from cnoeabs.peaks (0.91, 1.82, 32.45 ppm; 4.87 A): 6 out of 12 assignments used, quality = 1.00: QG2 VAL 41 + HB2 LYS 73 OK 73 73 100 100 2.0-6.0 ~4904=51, ~5626=49...(28) QG1 VAL 76 + HB2 LYS 75 OK 68 72 100 95 2.5-6.1 3.9/340=61, 3.2/5853=57...(12) QG2 VAL 76 + HB2 LYS 75 OK 68 72 100 95 2.7-5.8 3.9/340=61, 3.2/5853=57...(14) QG2 VAL 76 + HB2 LYS 73 OK 52 97 55 97 3.0-11.6 ~6037=51, ~15432=48...(18) QG1 VAL 76 + HB2 LYS 73 OK 52 97 55 97 3.7-9.5 ~6037=51, ~15432=48...(19) QG2 ILE 40 + HB2 LYS 73 OK 24 85 60 46 4.6-9.9 5263/787=11, 4303=8...(10) QG2 VAL 41 - HB2 LYS 75 poor 20 49 40 - 4.7-11.7 QD1 LEU 86 - HB2 LYS 85 poor 16 52 55 57 4.6-7.6 4.8/386=43, 2.1/5262=15...(4) HG12 ILE 68 - HB2 LYS 75 far 4 72 5 - 6.3-17.0 HG12 ILE 68 - HB2 LYS 73 far 0 97 0 - 7.7-11.7 QG2 ILE 40 - HB2 LYS 75 far 0 59 0 - 8.1-13.9 QD1 LEU 86 - HB2 LYS 75 far 0 51 0 - 9.6-27.1 Violated in 0 structures by 0.00 A. Peak 5262 from cnoeabs.peaks (0.82, 1.82, 32.45 ppm; 4.79 A): 3 out of 12 assignments used, quality = 0.87: QG1 VAL 41 + HB2 LYS 73 OK 76 76 100 100 1.9-4.8 4904/2.9=57, 5626/3.0=54...(26) QD2 LEU 86 + HB2 LYS 85 OK 27 68 80 49 4.4-7.4 4.8/386=41, ~5255=5...(4) QG2 ILE 68 + HB2 LYS 73 OK 25 97 45 58 4.3-8.6 5264/787=27...(12) QG2 ILE 68 - HB2 LYS 75 poor 14 72 20 - 4.7-12.5 QG1 VAL 41 - HB2 LYS 75 poor 14 51 65 42 3.9-10.7 4339/16031=20...(6) QD1 ILE 89 - HB2 LYS 85 far 0 75 0 - 6.4-12.0 QD1 LEU 43 - HB2 LYS 73 far 0 97 0 - 8.2-13.7 QD2 LEU 29 - HB2 LYS 85 far 0 46 0 - 8.6-36.0 QD2 LEU 29 - HB2 LYS 75 far 0 45 0 - 8.8-21.5 QG2 ILE 89 - HB2 LYS 85 far 0 52 0 - 8.9-13.1 QD2 LEU 64 - HB2 LYS 75 far 0 45 0 - 9.1-17.9 QD2 LEU 86 - HB2 LYS 75 far 0 67 0 - 9.6-27.3 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 = 1.00: 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 93 99 100 94 4.1-6.4 3.9/877=79, 3601/3.0=35...(6) 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 4 assignments used, quality = 0.00: QB ALA 78 - QD1 ILE 89 far 4 81 5 - 5.2-21.1 HG2 LYS 75 - QD1 ILE 89 far 0 85 0 - 8.3-32.4 HG3 LYS 75 - QD1 ILE 89 far 0 85 0 - 9.4-31.2 HG3 LYS 39 - QD1 ILE 89 far 0 100 0 - 9.5-40.3 Violated in 20 structures by 11.25 A. Peak 5284 from cnoeabs.peaks (2.25, 3.95, 45.26 ppm; 5.24 A): 5 out of 15 assignments used, quality = 0.90: HG2 GLU 25 + HA3 GLY 21 OK 55 100 85 65 3.3-7.7 1346/3.5=36, 3.0/4151=15...(8) HG2 GLU 25 + HA2 GLY 21 OK 54 100 85 64 3.1-7.1 1346/3.5=36, 3.0/4151=14...(7) HG3 GLU 19 + HA3 GLY 18 OK 23 40 95 60 3.9-6.8 495/3.6=27, 3.9/4800=16...(8) HG3 GLU 19 + HA2 GLY 18 OK 21 39 90 60 3.7-7.3 496/3.6=27, 3.9/4800=15...(8) HG2 GLU 19 + HA3 GLY 18 OK 20 40 85 60 3.7-7.2 495/3.6=27, 3.9/4800=16...(8) HG2 GLU 19 - HA2 GLY 18 poor 20 39 85 60 4.1-7.7 496/3.6=27, 3.9/4800=15...(8) HG2 GLU 19 - HA3 GLY 21 poor 18 71 25 - 4.7-9.9 HG3 GLU 19 - HA2 GLY 21 poor 14 71 20 - 4.4-10.7 HG2 GLU 25 - HA3 GLY 18 far 10 67 15 - 3.0-16.4 HG2 GLU 25 - HA2 GLY 18 far 10 64 15 - 4.6-16.2 HG2 GLU 19 - HA2 GLY 21 poor 4 71 30 20 5.0-10.1 5326/4.8=15, 1225/5494=2 HG3 GLU 19 - HA3 GLY 21 lone 4 71 30 18 4.4-10.8 5326/4.8=14, 1231/5494=2 HB2 PRO 14 - HA3 GLY 18 far 0 49 0 - 6.8-14.6 HB2 PRO 14 - HA2 GLY 18 far 0 47 0 - 8.5-15.2 HB2 PRO 14 - HA2 GLY 21 far 0 83 0 - 9.9-23.7 Violated in 0 structures by 0.00 A. Peak 5285 from cnoeabs.peaks (2.57, 3.95, 45.26 ppm; 4.91 A): 0 out of 8 assignments used, quality = 0.00: HB3 ASP 24 - HA3 GLY 21 far 9 93 10 - 3.7-10.3 HB3 ASP 24 - HA2 GLY 21 far 9 93 10 - 5.2-10.2 HB2 ASP 24 - HA3 GLY 21 far 8 85 10 - 4.5-10.9 HB2 ASP 24 - HA2 GLY 21 far 4 85 5 - 5.6-10.9 HB2 ASP 24 - HA3 GLY 18 far 0 50 0 - 8.0-19.7 HB3 ASP 24 - HA3 GLY 18 far 0 58 0 - 8.4-19.1 HB3 ASP 24 - HA2 GLY 18 far 0 56 0 - 8.5-18.9 HB2 ASP 24 - HA2 GLY 18 far 0 48 0 - 8.8-19.6 Violated in 18 structures by 1.86 A. Peak 5286 from cnoeabs.peaks (3.16, 3.95, 45.26 ppm; 5.66 A): 4 out of 30 assignments used, quality = 0.67: HD3 ARG 17 + HA3 GLY 18 OK 26 66 55 72 4.8-8.4 3.6/5496=37, 3.6/4150=25...(6) HD2 ARG 17 + HA2 GLY 18 OK 25 64 55 70 3.4-8.8 3.6/5496=35, 3.6/4150=24...(5) HD3 ARG 17 + HA2 GLY 18 OK 25 64 55 70 4.2-8.4 3.6/5496=35, 3.6/4150=24...(5) HD2 ARG 17 + HA3 GLY 18 OK 22 66 45 72 4.5-8.5 3.6/5496=37, 3.6/4150=25...(6) HD2 ARG 26 - HA2 GLY 21 poor 11 97 35 31 5.4-11.7 3.0/4150=13, ~4150=9...(4) HD3 ARG 26 - HA2 GLY 21 poor 11 97 35 31 4.4-11.0 3.0/4150=13, ~4150=9...(4) HD2 ARG 23 - HA2 GLY 21 far 10 100 10 - 6.8-12.3 HD2 ARG 26 - HA3 GLY 21 poor 9 97 30 31 5.4-11.6 3.0/4150=12, ~4150=10...(4) HD3 ARG 26 - HA3 GLY 21 poor 9 97 30 31 5.2-11.8 3.0/4150=12, ~4150=10...(4) HD2 ARG 23 - HA3 GLY 21 far 5 100 5 - 6.2-11.6 HD3 ARG 23 - HA3 GLY 21 far 5 100 5 - 6.7-11.2 HD2 ARG 71 - HA3 GLY 21 far 4 73 5 - 5.3-23.4 HD2 ARG 71 - HA2 GLY 21 far 4 73 5 - 6.7-22.6 HD3 ARG 26 - HA2 GLY 18 far 3 59 5 - 6.9-16.8 HD2 ARG 71 - HA3 GLY 18 far 2 42 5 - 2.5-28.1 HD2 ARG 71 - HA2 GLY 18 far 2 40 5 - 3.9-28.1 HD3 ARG 23 - HA2 GLY 21 far 0 100 0 - 7.2-12.1 HD3 ARG 26 - HA3 GLY 18 far 0 61 0 - 7.3-17.5 HD2 ARG 17 - HA2 GLY 21 far 0 100 0 - 7.4-17.5 HD3 ARG 17 - HA2 GLY 21 far 0 100 0 - 8.0-17.3 HD2 ARG 26 - HA2 GLY 18 far 0 60 0 - 8.1-17.2 HD2 ARG 17 - HA3 GLY 21 far 0 100 0 - 8.2-18.0 HD3 ARG 17 - HA3 GLY 21 far 0 100 0 - 8.5-17.6 HD2 ARG 26 - HA3 GLY 18 far 0 62 0 - 8.5-18.0 HD3 ARG 23 - HA3 GLY 18 far 0 67 0 - 9.2-20.6 HD3 ARG 84 - HA2 GLY 21 far 0 92 0 - 9.5-43.1 HD2 ARG 23 - HA3 GLY 18 far 0 67 0 - 9.6-20.7 HD2 ARG 27 - HA3 GLY 21 far 0 100 0 - 9.7-15.2 HD3 ARG 23 - HA2 GLY 18 far 0 65 0 - 9.7-20.3 HD2 ARG 23 - HA2 GLY 18 far 0 65 0 - 9.9-20.4 Violated in 11 structures by 0.16 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 2.1-3.8 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 2.1-3.4 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 4.5-4.8 2.2/2142=92, 5.6=58...(7) Violated in 4 structures by 0.01 A. Peak 5290 from cnoeabs.peaks (7.72, 4.03, 60.97 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: H GLU 50 + HA PHE 48 OK 100 100 100 100 4.0-4.9 922/3.6=88, 923/4525=83...(8) H ASN 42 - HA PHE 48 far 0 100 0 - 7.5-8.5 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 2.4-5.2 4667=95, 4664/2.3=91...(15) Violated in 0 structures by 0.00 A. Peak 5292 from cnoeabs.peaks (4.88, 2.04, 27.30 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.94: HA TYR 55 + HG2 PRO 56 OK 94 95 100 99 4.3-4.6 5293/1.8=76, 4977/2.3=49...(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 4.2-4.5 5292/1.8=75, 4576/2.3=50...(11) Violated in 0 structures by 0.00 A. Peak 5294 from cnoeabs.peaks (4.47, 1.88, 29.95 ppm; 4.13 A): 7 out of 25 assignments used, quality = 1.00: HA ASP 67 + HB2 ARG 66 OK 92 100 95 96 4.2-5.7 3.0/278=37, 4742/1.8=31...(19) HA ASP 24 + HB2 ARG 27 OK 48 52 100 92 2.2-5.0 5383/4.1=39, 6057/4.3=36...(14) HA ASP 24 + HB3 ARG 27 OK 48 54 95 93 3.4-5.8 5383/4.1=39, 6057/4.3=36...(16) HA ASP 24 + HB2 ARG 26 OK 44 95 65 71 4.6-7.2 4169/3.9=40, 5383/4.6=34...(6) HA ASP 24 + HB3 ARG 23 OK 43 56 100 77 3.9-5.6 ~44=19, ~45=19, 4157=19...(12) HA ASP 24 + HB2 ARG 23 OK 39 53 95 77 4.0-5.7 4157/1.8=19, ~44=19...(12) HA ASP 67 + HB2 ARG 71 OK 25 55 85 53 3.5-6.7 5838/4.0=33, 5050/2.8=20...(7) HA SER 22 - HB2 ARG 23 poor 17 32 85 61 4.4-5.8 3.0/5497=16, 5501/4.2=16...(6) HA SER 22 - HB3 ARG 23 poor 14 34 40 - 4.5-6.5 HA ASP 67 - HB3 ARG 71 poor 13 57 45 50 4.4-7.8 5838/4.0=33, 5050/2.8=20...(5) HA SER 22 - HB2 ARG 26 far 3 64 5 - 5.6-9.5 HA ASP 24 - HB3 ARG 71 far 3 51 5 - 4.0-10.2 HA ASP 24 - HB2 ARG 71 far 2 49 5 - 4.9-9.4 HA ASP 24 - HB3 ARG 26 far 0 94 0 - 5.7-7.6 HA SER 22 - HB3 ARG 26 far 0 64 0 - 5.8-10.0 HA SER 22 - HB3 ARG 71 far 0 30 0 - 7.3-16.5 HA SER 22 - HB2 ARG 27 far 0 31 0 - 7.3-11.1 HA PRO 14 - HB3 ARG 26 far 0 81 0 - 7.7-26.8 HA ASP 67 - HB3 ARG 27 far 0 60 0 - 8.4-10.8 HA ASP 67 - HB2 ARG 27 far 0 58 0 - 8.5-11.2 HA TYR 81 - HB2 ARG 66 far 0 92 0 - 8.6-26.9 HA SER 22 - HB2 ARG 71 far 0 29 0 - 8.7-15.6 HA SER 22 - HB3 ARG 27 far 0 33 0 - 9.1-11.4 HA PRO 14 - HB2 ARG 26 far 0 81 0 - 9.2-27.9 HA TYR 81 - HB3 ARG 71 far 0 47 0 - 10.0-23.8 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 2.4-3.6 4468=100, 3.7/4370=40...(30) HD2 PRO 44 + QD1 LEU 43 OK 33 96 35 100 3.7-5.5 4401/2.1=61, ~4388=47...(20) HA ARG 54 - QD1 LEU 43 far 0 87 0 - 8.4-10.0 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 99 100 100 2.1-3.9 4758=95, 3.2/4837=36...(17) QG1 VAL 41 - QB ALA 28 far 0 76 0 - 8.0-9.6 Violated in 1 structures by 0.01 A. Peak 5303 from cnoeabs.peaks (7.90, 1.34, 17.80 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.98: H ILE 33 + QB ALA 28 OK 98 100 100 98 3.2-4.4 1651/4180=52...(10) H ASP 67 - QB ALA 28 far 0 57 0 - 7.4-8.6 Violated in 13 structures by 0.15 A. Peak 5304 from cnoeabs.peaks (2.30, 0.88, 24.48 ppm; 6.50 A): 3 out of 6 assignments used, quality = 1.00: HG3 GLU 25 + QD1 LEU 29 OK 98 100 100 98 4.6-7.4 ~4165=69, 4804/2.1=51...(9) HG3 GLU 59 + QD1 LEU 62 OK 71 71 100 100 3.6-6.6 4.2/5365=96, 1.8/4642=96...(6) HB2 PRO 14 + QD1 LEU 29 OK 28 73 40 96 2.5-18.7 3.0/5960=96 HG3 GLU 59 - QD1 LEU 86 far 7 68 10 - 5.1-44.0 HG3 GLU 25 - QD1 LEU 86 far 5 97 5 - 6.2-37.8 HG2 GLN 79 - QD1 LEU 62 far 0 63 0 - 9.6-25.7 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 2.6-4.8 1.8/6116=79, 559/3.6=67...(12) HB2 GLN 61 - QB ALA 30 far 0 100 0 - 8.0-10.6 Violated in 2 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 5.8-6.2 5307/1.8=79, 207/2315=78...(9) HE ARG 54 + HB3 ARG 54 OK 68 68 100 100 2.4-4.4 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 4 assignments used, quality = 0.97: H ALA 53 + HB2 ARG 54 OK 97 97 100 100 4.3-4.9 207/676=94, 4963=87...(13) H ALA 53 - HB2 PRO 34 far 0 46 0 - 8.6-11.3 H ILE 40 - HB3 ARG 17 far 0 44 0 - 9.6-24.4 H ILE 40 - HB2 PRO 34 far 0 45 0 - 9.7-11.9 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 2.4-5.4 4688=84, ~4591=65...(19) HZ PHE 35 + HG LEU 57 OK 85 85 100 100 4.0-5.8 2.2/4688=88, 4591/2.1=73...(16) HZ PHE 48 - HG LEU 57 far 0 81 0 - 7.7-10.5 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 2.9-5.4 4613/6069=80...(16) Violated in 1 structures by 0.01 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 2.0-5.2 4198/2.1=80, 3.3/5073=63...(21) HB3 ASP 24 - QD1 LEU 64 poor 7 78 30 30 5.0-8.0 1.8/5508=17, ~5311=4...(6) HG2 GLN 61 - QD1 LEU 64 far 5 98 5 - 5.8-8.6 HB3 ASP 38 - QD1 LEU 64 far 0 96 0 - 9.5-13.4 HB2 ASP 38 - QD1 LEU 64 far 0 97 0 - 9.9-12.8 Violated in 3 structures by 0.05 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: HG3 MET 31 + QD2 LEU 64 OK 97 97 100 100 1.8-3.4 4200=97, 1.8/4198=96...(24) HB2 GLN 61 + QD2 LEU 64 OK 97 99 100 98 2.9-6.1 3.0/4504=51, 1.8/5161=39...(17) HB2 ASP 24 - QD2 LEU 64 poor 17 83 35 59 5.8-9.0 5533/5162=26...(8) 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 = 0.98: H ILE 68 + HA VAL 65 OK 98 99 100 100 3.4-4.0 4747=50, 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 1.7-3.4 2.1/4728=87...(19) 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 2.3-5.0 2.1/4726=95, ~4728=67...(18) Violated in 2 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 3 assignments used, quality = 0.97: H ASP 24 + HB2 SER 22 OK 97 97 100 100 2.3-5.5 4156=96, 5320/1.8=92...(7) H GLU 19 - HB2 SER 22 far 5 100 5 - 4.8-13.8 H LYS 83 - HB2 SER 22 far 5 95 5 - 7.3-33.5 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 3 assignments used, quality = 0.96: H ASP 24 + HB3 SER 22 OK 96 97 100 99 2.7-5.4 4156/1.8=90, 50/5084=57...(7) H GLU 19 - HB3 SER 22 far 5 100 5 - 6.3-14.1 H LYS 83 - HB3 SER 22 far 0 95 0 - 7.4-33.4 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 7 assignments used, quality = 0.96: HG LEU 64 + QB ALA 28 OK 89 95 95 99 4.2-6.0 2.1/5162=78...(11) HB3 LEU 29 + QB ALA 28 OK 64 65 100 97 4.1-5.5 4.0/78=60, 3.0/4183=56...(10) HB3 LEU 86 - QB ALA 28 far 5 97 5 - 4.7-36.3 HG2 LYS 39 - QB ALA 28 far 0 100 0 - 7.1-9.9 HG3 ARG 23 - QB ALA 28 far 0 96 0 - 7.3-10.0 HD3 LYS 39 - QB ALA 28 far 0 60 0 - 7.5-9.6 HG LEU 62 - QB ALA 28 far 0 95 0 - 9.5-12.0 Violated in 16 structures by 0.08 A. Peak 5322 from cnoeabs.peaks (2.61, 0.71, 10.77 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 61 + QD1 ILE 33 OK 98 98 100 100 2.8-5.4 1.8/4224=81, 3.5/4213=45...(20) HG2 MET 31 + QD1 ILE 33 OK 91 92 100 99 3.2-5.0 4198/6122=53...(16) HB3 ASP 24 - QD1 ILE 33 far 0 78 0 - 8.2-11.0 HB2 ASP 38 - QD1 ILE 33 far 0 97 0 - 9.9-11.7 Violated in 7 structures by 0.03 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 3.3-5.5 4534/4564=75, ~4584=70...(12) QE PHE 35 + HG LEU 51 OK 97 97 100 100 2.4-4.7 2.2/4564=94, 4584/2.1=94...(15) HZ PHE 48 - HG LEU 51 far 0 99 0 - 6.8-9.2 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 = 0.99: QD1 LEU 62 + HB2 LEU 52 OK 90 90 100 100 2.6-5.7 2.1/5004=83, ~4680=47...(16) HG LEU 51 + HB2 LEU 52 OK 72 100 75 96 5.2-6.8 197/3.9=56, 4952/3.1=53...(11) HG LEU 51 + HB2 LEU 51 OK 61 61 100 100 2.4-3.0 3.0=100 QD1 LEU 62 - HB2 LEU 51 far 0 49 0 - 7.2-11.7 QD1 LEU 86 - HB2 LEU 52 far 0 100 0 - 9.9-36.6 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 5 assignments used, quality = 0.93: HG LEU 62 + QD2 LEU 57 OK 93 93 100 100 4.2-5.5 5747/693=65, 4982/3.1=56...(20) HG LEU 64 - QD2 LEU 57 poor 15 96 35 46 4.8-8.7 268/5795=17, 3.0/5025=12...(7) HB3 ARG 54 - QD2 LEU 57 far 5 100 5 - 6.4-9.2 HG3 ARG 54 - QD2 LEU 57 far 0 73 0 - 7.5-9.9 HG2 LYS 39 - QD2 LEU 57 far 0 100 0 - 7.7-9.4 Violated in 10 structures by 0.09 A. Peak 5326 from cnoeabs.peaks (1.36, 2.23, 36.01 ppm; 4.76 A): 3 out of 22 assignments used, quality = 0.97: QB ALA 20 + HG2 GLU 19 OK 80 87 100 92 3.5-6.1 ~29=32, 4.5/1210=31...(13) QB ALA 20 + HG3 GLU 19 OK 72 87 90 92 3.6-6.3 ~29=32, 4.5/1210=31...(13) QB ALA 28 + HG2 GLU 25 OK 40 43 100 93 4.0-5.9 5512/1.8=52, 4181/4.1=41...(9) QB ALA 20 - HG2 GLU 25 poor 14 48 65 44 3.4-8.5 5512/1.8=10, 4167/3.0=9...(8) QB ALA 16 - HG2 GLU 25 poor 12 62 20 - 4.5-16.5 QB ALA 28 - HG2 GLU 19 far 12 81 15 - 5.4-15.7 QB ALA 28 - HG3 GLU 19 far 8 81 10 - 6.0-16.1 HG2 LYS 85 - HG3 GLU 87 lone 0 75 45 1 4.3-9.5 QB ALA 16 - HG3 GLU 19 lone 0 100 20 2 2.8-11.2 HG2 LYS 85 - HG2 GLU 87 lone 0 73 35 1 4.6-10.3 QB ALA 16 - HG2 GLU 19 lone 0 100 20 2 4.2-9.9 QB ALA 78 - HG2 GLU 19 far 0 63 0 - 7.1-31.0 QB ALA 78 - HG2 GLU 25 far 0 32 0 - 7.4-22.0 HG2 LYS 85 - HG2 GLU 25 far 0 48 0 - 7.6-41.0 QB ALA 78 - HG3 GLU 19 far 0 63 0 - 7.8-31.2 QB ALA 12 - HG2 GLU 25 far 0 33 0 - 8.2-28.3 HB2 LEU 52 - HG3 GLU 50 far 0 46 0 - 8.4-9.5 QB ALA 12 - HG2 GLU 19 far 0 65 0 - 8.6-20.2 QB ALA 77 - HG2 GLU 19 far 0 90 0 - 9.0-27.5 QB ALA 77 - HG3 GLU 19 far 0 90 0 - 9.4-27.8 QB ALA 12 - HG3 GLU 19 far 0 65 0 - 9.4-21.5 QB ALA 77 - HG2 GLU 25 far 0 50 0 - 9.5-22.0 Violated in 2 structures by 0.00 A. Peak 5328 from cnoeabs.peaks (0.91, 1.67, 28.78 ppm; 4.41 A): 4 out of 16 assignments used, quality = 0.73: QG1 VAL 76 + HD2 LYS 75 OK 35 96 70 52 2.0-8.6 5110/3.5=19, 5846/3.5=10...(10) QG2 VAL 76 + HD3 LYS 75 OK 26 96 55 50 2.6-8.5 5110/3.5=19, 5850/5.9=8...(10) QG1 VAL 76 + HD3 LYS 75 OK 25 96 50 52 2.1-8.2 5110/3.5=19, 5846/3.5=10...(10) QG2 VAL 76 + HD2 LYS 75 OK 24 96 50 50 2.0-7.8 5110/3.5=19, 5850/5.9=8...(10) QD1 LEU 29 - HD3 LYS 13 poor 18 60 30 - 2.6-23.4 QD1 LEU 29 - HD2 LYS 13 poor 12 60 35 57 2.7-23.5 2.1/5329=35, ~5329=27...(5) QG2 VAL 41 - HD2 LYS 75 far 7 68 10 - 5.6-12.3 HG12 ILE 68 - HD3 LYS 75 far 5 96 5 - 5.7-20.0 HG12 ILE 68 - HD2 LYS 75 far 5 96 5 - 5.8-19.9 QG2 VAL 41 - HD3 LYS 75 far 0 68 0 - 6.7-12.4 QD1 LEU 86 - HD2 LYS 75 far 0 81 0 - 8.2-28.0 QD1 LEU 86 - HD3 LYS 75 far 0 81 0 - 8.4-29.1 QG2 ILE 40 - HD2 LYS 75 far 0 81 0 - 8.5-13.9 HG LEU 51 - HD2 LYS 13 far 0 89 0 - 8.9-32.2 QG2 ILE 40 - HD3 LYS 75 far 0 81 0 - 9.5-14.5 QD1 LEU 29 - HD3 LYS 75 far 0 60 0 - 10.0-25.7 Violated in 7 structures by 0.24 A. Peak 5329 from cnoeabs.peaks (0.83, 1.67, 28.78 ppm; 4.48 A): 0 out of 15 assignments used, quality = 0.00: QD1 LEU 43 - HD2 LYS 13 far 5 100 5 - 5.3-27.2 QD2 LEU 29 - HD3 LYS 13 lone 4 93 25 17 4.4-24.5 ~5328=5, ~1508=4...(6) QG2 ILE 68 - HD2 LYS 75 far 4 78 5 - 5.1-14.8 QG2 ILE 68 - HD3 LYS 75 far 4 78 5 - 5.6-14.6 QD2 LEU 29 - HD2 LYS 13 lone 4 93 30 13 3.8-24.7 2.1/5328=7, ~5255=2...(4) QD1 LEU 43 - HD3 LYS 13 far 0 100 0 - 6.6-27.8 QD2 LEU 64 - HD3 LYS 13 far 0 93 0 - 7.9-23.8 QD2 LEU 86 - HD2 LYS 75 far 0 100 0 - 8.1-29.1 QD2 LEU 64 - HD2 LYS 13 far 0 93 0 - 8.1-23.0 QD2 LEU 86 - HD3 LYS 75 far 0 100 0 - 8.3-29.1 QD2 LEU 64 - HD3 LYS 75 far 0 93 0 - 8.9-20.1 QD1 ILE 89 - HD3 LYS 75 far 0 83 0 - 9.4-33.4 QD2 LEU 29 - HD3 LYS 75 far 0 93 0 - 9.7-24.0 QG2 ILE 89 - HD3 LYS 75 far 0 97 0 - 9.7-33.9 QD2 LEU 64 - HD2 LYS 75 far 0 93 0 - 9.9-20.3 Violated in 16 structures by 2.13 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 2.1-4.5 4.4=100 H ARG 17 - HB THR 15 lone 2 78 65 4 2.5-7.7 3715/2.1=2 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 2 assignments used, quality = 0.88: H ARG 26 + HA ARG 27 OK 72 74 100 97 5.2-5.4 5380/3.0=84, 5345=60...(10) H ARG 26 + HA ARG 23 OK 57 100 100 57 3.0-4.2 5345=39, 5380/534=9...(8) Violated in 0 structures by 0.00 A. Peak 5344 from cnoeabs.peaks (4.13, 1.88, 29.99 ppm; 3.48 A): 5 out of 21 assignments used, quality = 0.98: HA ARG 27 + HB2 ARG 26 OK 78 93 100 83 4.2-4.9 5345/3.9=22, 3.0/63=19...(22) HA ARG 27 + HB3 ARG 26 OK 66 93 85 84 4.0-5.7 5345/3.9=22, 3.0/63=19...(22) 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 2.5-3.0 3.0=100 HA ARG 23 + HB2 ARG 26 OK 25 100 90 27 2.5-6.1 5341/3.9=14, 1439/3.0=4...(7) HA ARG 23 - HB3 ARG 26 poor 16 100 60 26 4.1-6.1 5341/3.9=14, 1439/3.0=4...(7) HA ARG 23 - HB2 ARG 27 far 8 54 15 - 4.5-7.7 HB THR 88 - HB3 GLU 87 far 0 42 0 - 5.0-7.5 HA ARG 23 - HB3 ARG 27 far 0 56 0 - 5.2-8.7 HA ASN 49 - HB2 ARG 66 far 0 97 0 - 5.9-10.0 HA ALA 30 - HB3 ARG 26 far 0 99 0 - 5.9-8.1 HA ALA 30 - HB2 ARG 26 far 0 99 0 - 6.2-8.7 HA ALA 30 - HB3 ARG 27 far 0 55 0 - 7.4-8.5 HA ARG 23 - HB3 ARG 71 far 0 53 0 - 7.6-14.5 HA ALA 30 - HB2 ARG 27 far 0 52 0 - 7.9-8.7 HA GLN 91 - HB3 GLU 87 far 0 46 0 - 8.7-15.0 HA ARG 27 - HB3 ARG 71 far 0 45 0 - 8.9-13.8 HA ARG 23 - HB2 ARG 71 far 0 51 0 - 9.0-14.0 HA ARG 27 - HB2 ARG 71 far 0 43 0 - 9.2-13.1 HA GLN 91 - HB3 ARG 71 far 0 53 0 - 9.5-51.5 HB THR 88 - HB3 ARG 26 far 0 97 0 - 9.8-53.0 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 15 assignments used, quality = 0.99: HA ASP 24 + HG2 ARG 27 OK 83 97 100 85 2.3-5.3 5383/5.0=41, 4157/2.9=26...(13) HA ASP 24 + HG3 ARG 27 OK 74 97 90 85 2.0-6.1 5383/5.0=41, 4157/2.9=26...(14) HA ASP 67 + HG3 ARG 70 OK 69 73 95 99 2.0-6.2 5049/1.8=81, 4792/4.9=48...(15) HA SER 22 - HG2 ARG 26 poor 17 48 35 - 4.7-8.3 HA ASP 24 - HG2 ARG 26 far 13 84 15 - 4.3-8.3 HA PRO 14 - HG3 ARG 17 far 0 58 0 - 7.1-13.4 HA SER 22 - HG2 ARG 27 far 0 60 0 - 7.8-12.2 HA ASP 67 - HG3 ARG 27 far 0 100 0 - 8.0-11.9 HA PRO 14 - HG2 ARG 17 far 0 57 0 - 8.0-12.8 HA SER 22 - HG3 ARG 27 far 0 60 0 - 8.1-12.7 HA ASP 67 - HG2 ARG 27 far 0 100 0 - 8.2-12.7 HA ASP 24 - HG3 ARG 70 far 0 68 0 - 8.7-14.7 HA TYR 81 - HG3 ARG 70 far 0 59 0 - 8.8-22.8 HA PRO 14 - HG2 ARG 26 far 0 64 0 - 8.8-26.1 HA SER 22 - HG3 ARG 17 far 0 43 0 - 9.7-18.4 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 3 assignments used, quality = 0.98: HA ARG 26 + HB2 LEU 29 OK 98 99 100 98 2.4-4.6 5394/1.8=75, 5395=56...(14) HA GLU 25 - HB2 LEU 29 far 5 93 5 - 5.3-7.8 HA VAL 90 - HB2 LEU 29 far 0 100 0 - 9.5-58.2 Violated in 8 structures by 0.25 A. Peak 5349 from cnoeabs.peaks (4.06, 0.84, 23.57 ppm; 4.53 A): 2 out of 9 assignments used, quality = 1.00: HA ARG 26 + QD2 LEU 29 OK 99 100 100 100 1.9-4.6 5394/3.1=73, 5348/3.1=67...(21) HA GLU 25 + QD2 LEU 29 OK 63 71 95 94 3.3-8.2 4.1/4165=33...(14) HA VAL 90 - QD2 LEU 29 far 5 96 5 - 5.8-47.4 HA ARG 26 - QD2 LEU 86 far 4 86 5 - 1.9-41.4 HA VAL 90 - QD2 LEU 86 far 4 80 5 - 5.1-13.2 HA GLU 25 - QD2 LEU 86 far 3 55 5 - 3.9-37.4 HA ALA 63 - QD2 LEU 86 far 0 87 0 - 6.1-39.0 HA GLU 59 - QD2 LEU 86 far 0 68 0 - 7.3-41.0 HA ARG 71 - QD2 LEU 86 far 0 80 0 - 9.9-33.8 Violated in 1 structures by 0.00 A. Peak 5350 from cnoeabs.peaks (3.96, 2.07, 32.66 ppm; 4.15 A): 4 out of 12 assignments used, quality = 1.00: HA ALA 28 + HB3 MET 31 OK 98 100 100 98 3.4-5.3 5529=46, 4176/1.8=41...(15) HA GLN 61 + HB3 MET 31 OK 94 100 100 94 2.2-4.4 5079/4.3=35...(13) HA VAL 76 + HB VAL 76 OK 64 64 100 100 2.4-3.0 3.0=100 HA LYS 32 + HB3 MET 31 OK 27 93 35 84 5.2-5.9 3.0/3773=40, ~90=31...(9) HA2 GLY 72 - HB VAL 76 far 6 65 10 - 4.0-12.7 HA ARG 66 - HB VAL 76 far 0 56 0 - 7.3-17.9 HA THR 37 - HB VAL 76 far 0 35 0 - 7.4-18.8 HA3 GLY 21 - HB VAL 76 far 0 58 0 - 8.5-26.8 HA VAL 76 - HB3 PRO 44 far 0 46 0 - 8.6-21.5 HA2 GLY 21 - HB VAL 76 far 0 59 0 - 9.5-26.2 HA THR 37 - HB3 MET 31 far 0 65 0 - 9.6-11.7 HA GLU 50 - HB3 PRO 44 far 0 47 0 - 10.0-11.0 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 4.5-5.1 4248/3.2=97, 110/4851=68...(14) 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: QD2 LEU 57 + HG3 PRO 34 OK 97 97 100 100 1.9-3.1 4603/2.3=74, 4605/2.3=68...(16) QD1 ILE 33 + HG3 PRO 34 OK 94 99 95 100 4.5-6.3 4851/2.3=73, 4226/2.3=64...(17) 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 2.5-4.2 4534/2.6=79, 2.1/4865=72...(20) 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 = 0.97: HB VAL 41 + HA ASP 38 OK 97 100 100 97 3.0-4.3 2.1/4890=62, 4333=53...(11) HG12 ILE 40 - HA ASP 38 far 9 63 15 - 5.1-6.4 HB2 GLU 19 - HA ASP 38 far 4 76 5 - 4.9-20.4 HG13 ILE 68 - HA ASP 38 far 0 98 0 - 8.7-10.5 Violated in 7 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 2.3-4.3 1.8/4914=86, 4448/2.1=75...(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 4 assignments used, quality = 0.97: HA LYS 39 + QD1 LEU 43 OK 97 97 100 99 2.1-4.3 3.0/5111=62, 3.0/5109=58...(11) HA THR 15 - QD1 LEU 43 far 0 99 0 - 7.0-25.7 HB THR 37 - QD1 LEU 43 far 0 89 0 - 8.0-10.2 HA ALA 12 - QD1 LEU 43 far 0 87 0 - 8.3-31.6 Violated in 2 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 = 0.99: HA ASP 46 + HB3 ASN 49 OK 99 100 100 99 4.3-5.6 4488/1.8=77, 4489/648=60...(9) Violated in 20 structures by 0.70 A. Peak 5361 from cnoeabs.peaks (7.06, 0.51, 22.90 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 48 + QD2 LEU 52 OK 100 100 100 100 2.6-4.0 2.2/4540=82, 4959/2.1=76...(15) QD TYR 81 - QD2 LEU 52 far 0 92 0 - 9.8-21.5 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 2.7-4.1 4613/2.1=99, 5154=98...(18) QG1 VAL 45 + QD1 LEU 52 OK 93 100 100 93 6.2-7.5 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 = 0.94: QD TYR 55 + HD2 ARG 54 OK 76 76 100 100 2.6-6.3 4563/3.6=65, 5950/3.0=56...(19) QD TYR 55 + HD3 ARG 54 OK 76 76 100 100 2.2-6.3 4563/3.6=65, 5950/3.0=56...(19) 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 4.2-5.2 2.1/4639=77, 3.1/4637=61...(10) Violated in 20 structures by 0.80 A. Peak 5365 from cnoeabs.peaks (4.03, 0.87, 24.45 ppm; 3.26 A): 1 out of 7 assignments used, quality = 0.84: HA GLU 59 + QD1 LEU 62 OK 84 87 100 96 2.6-3.4 4639=61, 5364/2.1=42...(11) HB2 SER 22 - QD1 LEU 29 far 0 88 0 - 6.5-9.2 HA ARG 54 - QD1 LEU 62 far 0 85 0 - 7.0-10.6 HA GLU 59 - QD1 LEU 86 far 0 73 0 - 7.1-42.2 HB2 SER 22 - QD1 LEU 86 far 0 76 0 - 8.0-37.7 HA PHE 48 - QD1 LEU 62 far 0 100 0 - 8.8-10.9 HA ARG 70 - QD1 LEU 86 far 0 58 0 - 9.2-31.7 Violated in 10 structures by 0.06 A. Peak 5366 from cnoeabs.peaks (4.03, 1.59, 41.88 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.98: HA GLU 59 + HB3 LEU 62 OK 96 97 100 99 3.1-4.3 4637/1.8=72, 4638=66...(9) HA ALA 63 + HB3 LEU 62 OK 61 63 100 98 3.8-4.4 3.0/257=37, ~3907=37...(18) HA ALA 63 - HB2 LEU 86 far 0 29 0 - 8.6-45.1 HA ALA 63 - HB3 LEU 86 far 0 31 0 - 8.7-45.4 HB2 SER 22 - HB3 LEU 29 far 0 72 0 - 9.7-13.0 HA GLU 59 - HB3 LEU 86 far 0 55 0 - 9.8-48.1 Violated in 1 structures by 0.00 A. Peak 5367 from cnoeabs.peaks (8.13, 0.87, 24.45 ppm; 4.62 A): 2 out of 9 assignments used, quality = 0.99: H ARG 26 + QD1 LEU 29 OK 98 98 100 99 3.8-4.8 5516=40, ~5929=39...(20) H LEU 57 + QD1 LEU 62 OK 50 71 85 83 3.4-6.9 4597/2.1=53, 5747/2.1=52 H THR 88 - QD1 LEU 86 poor 9 89 35 28 2.2-7.9 3.6/3542=16, 4.6/5007=5...(4) H THR 88 - QD1 LEU 29 far 5 98 5 - 5.3-43.9 H ARG 26 - QD1 LEU 86 far 4 89 5 - 4.6-40.4 H LYS 85 - QD1 LEU 86 lone 3 67 35 13 4.2-7.7 5899/4.9=8, 4.8/5255=3 H LYS 85 - QD1 LEU 29 far 0 78 0 - 6.3-36.1 H ARG 71 - QD1 LEU 86 far 0 69 0 - 7.9-34.2 H ALA 78 - QD1 LEU 86 far 0 65 0 - 9.4-21.2 Violated in 0 structures by 0.00 A. Peak 5369 from cnoeabs.peaks (1.87, 4.06, 55.02 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: HB2 ARG 66 + HA ALA 63 OK 100 100 100 100 4.4-5.8 1.8/4684=86, 2.8/5370=52...(11) HB ILE 68 - HA ALA 63 far 0 73 0 - 8.3-9.5 HB3 ARG 27 - HA ALA 63 far 0 85 0 - 8.7-12.3 HB2 ARG 71 - HA ALA 63 far 0 83 0 - 8.8-12.1 HB3 ARG 71 - HA ALA 63 far 0 85 0 - 9.9-13.4 HB2 ARG 27 - HA ALA 63 far 0 83 0 - 10.0-12.6 Violated in 20 structures by 0.81 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 2.3-5.8 2.8/4684=78, 5167=72...(11) QE MET 31 - HA ALA 63 poor 15 78 30 63 5.2-7.9 5082/3.6=48, 5071/2.1=16...(4) HB3 GLN 79 - HA ALA 63 far 0 89 0 - 9.0-26.2 HD3 ARG 69 - HA ALA 63 far 0 85 0 - 9.3-12.8 HD2 ARG 69 - HA ALA 63 far 0 85 0 - 9.7-12.9 Violated in 11 structures by 0.34 A. Peak 5371 from cnoeabs.peaks (4.07, 1.88, 29.95 ppm; 3.38 A): 4 out of 27 assignments used, quality = 1.00: HA ARG 26 + HB2 ARG 26 OK 99 99 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 99 99 100 100 2.4-2.7 3.0=100 HA ARG 71 + HB3 ARG 71 OK 52 52 100 100 2.4-2.8 3.0=100 HA ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.4-3.0 3.0=100 HA GLU 25 - HB2 ARG 27 poor 13 37 35 - 4.4-6.7 HA ALA 63 - HB2 ARG 66 far 10 100 10 - 4.4-5.8 HA GLU 25 - HB3 ARG 27 far 4 39 10 - 4.8-6.6 HA ARG 26 - HB2 ARG 27 far 0 58 0 - 5.5-6.6 HA GLU 25 - HB2 ARG 26 far 0 75 0 - 5.5-6.6 HA ARG 26 - HB3 ARG 27 far 0 60 0 - 5.9-6.6 HA GLU 25 - HB3 ARG 26 far 0 74 0 - 6.0-6.6 HA ARG 71 - HB2 ARG 23 far 0 55 0 - 6.6-15.3 HA ARG 26 - HB3 ARG 23 far 0 62 0 - 6.7-8.8 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 7.2-13.8 HA GLU 25 - HB2 ARG 23 far 0 38 0 - 7.3-8.3 HA GLU 25 - HB3 ARG 23 far 0 40 0 - 7.3-8.4 HA ARG 26 - HB2 ARG 23 far 0 60 0 - 7.4-9.0 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 7.7-12.7 HA ARG 71 - HB3 ARG 23 far 0 58 0 - 7.8-15.8 HA ARG 71 - HB2 ARG 27 far 0 54 0 - 8.4-13.2 HA ALA 63 - HB3 ARG 27 far 0 60 0 - 8.7-12.3 HA ALA 63 - HB2 ARG 71 far 0 54 0 - 8.8-12.1 HA ARG 71 - HB2 ARG 66 far 0 97 0 - 8.9-11.9 HA ARG 71 - HB3 ARG 27 far 0 56 0 - 9.0-13.0 HA GLU 59 - HB2 ARG 66 far 0 81 0 - 9.1-12.0 HA ALA 63 - HB3 ARG 71 far 0 56 0 - 9.9-13.4 HA ALA 63 - HB2 ARG 27 far 0 58 0 - 10.0-12.6 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 = 1.00: HA ALA 63 + HB3 ARG 66 OK 100 100 100 100 3.2-4.7 4684=90, 5369/1.8=64...(11) HA ARG 71 + HB2 ARG 70 OK 60 84 75 96 4.1-5.6 2.9/306=33, ~307=26...(20) HA ARG 71 + HB3 ARG 70 OK 40 84 50 96 4.4-5.6 2.9/306=33, ~307=26...(20) HA ALA 63 - HB3 ARG 70 far 0 88 0 - 7.7-11.5 HA GLU 59 - HB3 ARG 66 far 0 81 0 - 7.9-10.8 HA ALA 63 - HB2 ARG 70 far 0 88 0 - 8.3-11.7 HA ARG 71 - HB3 ARG 66 far 0 97 0 - 9.0-11.3 Violated in 1 structures by 0.01 A. Peak 5373 from cnoeabs.peaks (0.90, 2.01, 28.91 ppm; 5.39 A): 3 out of 11 assignments used, quality = 0.83: QD1 LEU 62 + HG2 ARG 66 OK 53 76 85 82 4.5-8.0 ~5099=29, ~5374=26...(12) QG1 VAL 76 + HB3 GLN 79 OK 39 59 70 95 2.9-10.2 ~16011=57, ~6044=34...(12) QG2 VAL 76 + HB3 GLN 79 OK 39 59 70 95 2.6-9.7 ~16011=57, ~6044=34...(11) HG12 ILE 68 - HG2 ARG 66 far 4 73 5 - 6.2-10.3 QD1 LEU 62 - HB3 GLN 79 far 0 61 0 - 7.8-25.3 QD1 LEU 86 - HG2 ARG 66 far 0 98 0 - 7.9-36.0 QG1 VAL 76 - HG2 ARG 66 far 0 73 0 - 8.0-17.0 QG2 VAL 76 - HG2 ARG 66 far 0 73 0 - 8.1-15.8 HG LEU 51 - HG2 ARG 66 far 0 100 0 - 8.7-13.8 HG12 ILE 68 - HB3 GLN 79 far 0 59 0 - 9.2-22.2 QD1 LEU 86 - HB3 GLN 79 far 0 85 0 - 9.5-20.4 Violated in 3 structures by 0.03 A. Peak 5374 from cnoeabs.peaks (0.93, 3.19, 43.48 ppm; 4.28 A): 2 out of 54 assignments used, quality = 0.92: QD2 LEU 62 + HD3 ARG 66 OK 75 100 100 75 2.1-5.3 5958=25, 5958/1.8=25...(12) QD2 LEU 62 + HD2 ARG 66 OK 67 100 90 75 2.3-6.2 5958=25, 5958/1.8=25...(11) QG1 VAL 76 - HD3 ARG 70 poor 18 91 20 - 3.7-13.7 QD1 LEU 64 - HD3 ARG 27 poor 16 21 100 77 2.1-5.2 5019=27, 5019/1.8=24...(11) QD1 LEU 64 - HD2 ARG 27 poor 16 21 100 76 2.2-4.0 5019=27, 5019/1.8=25...(8) QG2 VAL 76 - HD3 ARG 70 far 14 91 15 - 3.4-13.2 HG12 ILE 68 - HD2 ARG 27 poor 13 44 30 - 2.1-8.5 QG2 VAL 76 - HD2 ARG 70 far 13 87 15 - 3.6-13.3 QG1 VAL 76 - HD2 ARG 70 far 13 87 15 - 3.8-13.6 QG2 ILE 40 - HD3 ARG 66 far 10 100 10 - 5.5-8.8 HG12 ILE 68 - HD3 ARG 71 far 8 55 15 - 4.2-10.4 QG1 VAL 76 - HD3 ARG 71 far 6 55 10 - 2.7-13.7 QG2 VAL 76 - HD3 ARG 71 far 6 55 10 - 5.3-14.5 QG2 VAL 41 - HD3 ARG 71 far 5 53 10 - 4.9-9.8 QG2 ILE 40 - HD2 ARG 66 far 5 100 5 - 5.5-8.2 HG12 ILE 68 - HD3 ARG 27 far 4 44 10 - 2.7-9.8 QD1 LEU 64 - HD3 ARG 71 far 1 27 5 - 4.7-10.9 QG2 ILE 40 - HD3 ARG 70 far 0 91 0 - 6.4-9.5 QG2 VAL 76 - HD2 ARG 66 far 0 100 0 - 6.5-16.3 QD1 LEU 64 - HD2 ARG 26 far 0 25 0 - 6.6-10.5 QD1 LEU 64 - HD3 ARG 70 far 0 50 0 - 6.6-11.1 QG2 ILE 40 - HD3 ARG 71 far 0 56 0 - 6.7-10.0 QD1 LEU 64 - HD3 ARG 26 far 0 25 0 - 6.7-10.7 QG1 VAL 76 - HD2 ARG 66 far 0 100 0 - 6.7-17.6 QD2 LEU 62 - HD2 ARG 70 far 0 88 0 - 6.9-11.7 QG2 ILE 40 - HD2 ARG 70 far 0 88 0 - 7.0-9.8 QG2 ILE 40 - HD2 ARG 27 far 0 44 0 - 7.1-12.0 QD2 LEU 62 - HD3 ARG 70 far 0 91 0 - 7.3-12.3 QD1 LEU 64 - HD2 ARG 66 far 0 60 0 - 7.3-10.5 HG12 ILE 68 - HD3 ARG 70 far 0 91 0 - 7.3-11.4 QG2 VAL 41 - HD2 ARG 27 far 0 42 0 - 7.4-12.6 QD1 LEU 64 - HD3 ARG 66 far 0 60 0 - 7.5-10.2 QD1 LEU 64 - HD2 ARG 70 far 0 47 0 - 7.6-12.0 QG2 VAL 76 - HD3 ARG 66 far 0 100 0 - 7.6-16.3 QG2 VAL 41 - HD3 ARG 70 far 0 88 0 - 7.6-9.9 QG2 VAL 41 - HD2 ARG 70 far 0 84 0 - 7.7-9.6 QG1 VAL 76 - HD3 ARG 66 far 0 100 0 - 7.8-17.1 HG12 ILE 68 - HD2 ARG 70 far 0 87 0 - 8.0-12.0 QG2 ILE 40 - HD3 ARG 27 far 0 44 0 - 8.1-12.4 QG2 VAL 41 - HD2 ARG 66 far 0 98 0 - 8.2-11.0 HG12 ILE 68 - HD2 ARG 66 far 0 100 0 - 8.2-12.0 HG12 ILE 68 - HD3 ARG 23 far 0 38 0 - 8.2-14.8 HG12 ILE 68 - HD3 ARG 66 far 0 100 0 - 8.4-12.1 QG2 VAL 41 - HD3 ARG 27 far 0 42 0 - 8.4-12.6 HG12 ILE 68 - HD2 ARG 23 far 0 38 0 - 8.4-15.5 QG2 VAL 41 - HD3 ARG 66 far 0 98 0 - 8.8-11.2 QG2 VAL 76 - HD3 ARG 23 far 0 38 0 - 9.1-20.7 QG1 VAL 90 - HD3 ARG 27 far 0 24 0 - 9.2-44.2 QG2 VAL 76 - HD3 ARG 17 far 0 29 0 - 9.3-33.2 QG2 VAL 76 - HD2 ARG 23 far 0 38 0 - 9.4-20.5 HG12 ILE 68 - HD3 ARG 26 far 0 52 0 - 9.5-14.6 HG12 ILE 68 - HD2 ARG 26 far 0 51 0 - 9.7-14.0 QG1 VAL 90 - HD2 ARG 27 far 0 24 0 - 9.8-43.5 QG2 VAL 41 - HD3 ARG 17 far 0 28 0 - 10.0-21.9 Violated in 3 structures by 0.05 A. Peak 5375 from cnoeabs.peaks (0.84, 1.88, 29.95 ppm; 4.39 A): 4 out of 30 assignments used, quality = 0.99: QD2 LEU 29 + HB3 ARG 26 OK 83 99 85 98 3.7-6.0 5349/3.0=37, ~5929=35...(23) QD2 LEU 64 + HB3 ARG 27 OK 60 60 100 99 2.7-5.7 5028=48, 5028/1.8=44...(17) QD2 LEU 29 + HB2 ARG 26 OK 58 100 60 98 4.1-6.4 5349/3.0=37, ~5929=35...(22) QD2 LEU 64 + HB2 ARG 27 OK 58 58 100 99 3.3-5.3 5028/1.8=49, 5028=44...(20) QD2 LEU 29 - HB2 ARG 27 poor 17 58 30 - 5.6-7.7 QD2 LEU 29 - HB3 ARG 27 far 6 60 10 - 5.6-7.6 QD2 LEU 86 - HB2 ARG 26 far 5 96 5 - 4.2-42.9 QD2 LEU 86 - HB3 ARG 26 far 5 96 5 - 3.9-42.1 QD2 LEU 86 - HB2 ARG 27 far 3 54 5 - 5.9-40.8 QD2 LEU 86 - HB3 ARG 27 far 0 56 0 - 6.6-41.1 QD2 LEU 64 - HB3 ARG 26 far 0 99 0 - 7.1-8.7 QD2 LEU 64 - HB2 ARG 71 far 0 55 0 - 7.1-10.7 QD2 LEU 64 - HB2 ARG 26 far 0 100 0 - 7.2-8.8 QD2 LEU 86 - HB2 ARG 66 far 0 97 0 - 7.3-34.7 QD2 LEU 64 - HB3 ARG 71 far 0 57 0 - 7.6-11.4 QD2 LEU 29 - HB3 ARG 23 far 0 63 0 - 7.7-11.2 QD2 LEU 29 - HB2 ARG 23 far 0 60 0 - 7.9-11.1 QD2 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.1-9.0 QD2 LEU 64 - HB3 ARG 23 far 0 63 0 - 8.1-11.5 QG2 ILE 89 - HB3 ARG 26 far 0 99 0 - 8.6-48.2 QD2 LEU 86 - HB3 ARG 23 far 0 58 0 - 8.6-40.4 QD2 LEU 86 - HB2 ARG 23 far 0 55 0 - 8.8-39.7 QG2 ILE 89 - HB3 ARG 27 far 0 60 0 - 8.9-46.7 QD2 LEU 64 - HB2 ARG 23 far 0 60 0 - 9.0-11.7 QD2 LEU 29 - HB3 ARG 71 far 0 57 0 - 9.3-15.6 QG2 ILE 89 - HB2 ARG 27 far 0 58 0 - 9.5-46.2 QD2 LEU 86 - HB2 ARG 71 far 0 51 0 - 9.6-34.6 QG2 ILE 89 - HB2 ARG 26 far 0 100 0 - 9.7-48.9 QD1 LEU 43 - HB2 ARG 66 far 0 95 0 - 9.7-12.0 QD2 LEU 29 - HB2 ARG 71 far 0 55 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 5376 from cnoeabs.peaks (0.30, 0.78, 13.95 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 33 + QD1 ILE 68 OK 99 100 100 99 3.0-5.1 4300/5247=81...(11) Violated in 1 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 = 1.00: H ARG 27 + QD1 ILE 68 OK 91 97 100 94 4.7-6.7 5520/4758=65...(9) H GLU 25 + QD1 ILE 68 OK 81 96 90 94 4.9-7.5 52/4760=73, 5511/4758=50...(8) H ALA 28 + QD1 ILE 68 OK 73 73 100 100 3.3-4.7 2.9/4758=93, 3.0/5928=56...(17) H SER 22 - QD1 ILE 68 far 0 78 0 - 7.3-10.9 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 6 assignments used, quality = 0.99: H ARG 69 + HA ARG 66 OK 97 99 100 98 3.3-3.7 760/5047=59, 5379=47...(16) H ARG 70 + HA ARG 66 OK 70 76 100 92 3.7-5.3 4.3/5047=49, 4.3/4766=45...(16) H GLY 72 - HA ARG 66 far 0 92 0 - 6.8-8.4 H ALA 63 - HA ARG 66 far 0 100 0 - 7.3-8.2 H LYS 73 - HA ARG 66 far 0 81 0 - 7.6-9.7 H VAL 76 - HA ARG 66 far 0 90 0 - 9.2-17.5 Violated in 0 structures by 0.00 A. Peak 5384 from cnoeabs.peaks (8.18, 4.49, 56.18 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.98: H ARG 27 + HA ASP 24 OK 92 100 100 92 3.3-4.1 5383=65, 5380/4169=38...(12) H GLU 25 + HA ASP 24 OK 73 73 100 100 3.4-3.6 3.6=100 H ASN 74 - HA ASP 24 far 0 71 0 - 8.5-16.6 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 2.7-2.9 3.0=100 H GLU 19 - HA ASP 24 far 0 89 0 - 8.8-16.2 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 12 assignments used, quality = 0.99: H ALA 30 + HA ARG 27 OK 98 99 100 99 3.3-4.2 2.9/5388=79, 5538/3.6=44...(15) H LEU 29 + HA ARG 27 OK 66 76 100 87 3.8-5.2 76/3.6=48, 78/5.0=34...(9) H LEU 29 - HA GLU 25 poor 19 36 100 53 3.8-5.6 3.6/4181=29, 76/69=17...(4) H ALA 30 - HA GLU 25 far 0 53 0 - 6.3-7.6 H LEU 29 - HA ARG 23 far 0 49 0 - 7.3-9.1 H ALA 30 - HA ARG 23 far 0 71 0 - 7.6-10.2 H GLY 72 - HA GLU 25 far 0 45 0 - 7.9-11.5 H VAL 76 - HA GLU 25 far 0 46 0 - 9.4-20.9 H ARG 69 - HA GLU 25 far 0 53 0 - 9.4-11.6 H GLY 72 - HA ARG 23 far 0 61 0 - 9.8-14.4 H LYS 73 - HA GLU 25 far 0 37 0 - 9.9-13.2 H ALA 63 - HA ARG 27 far 0 100 0 - 9.9-12.7 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 5 assignments used, quality = 0.76: HA ARG 27 + QB ALA 30 OK 76 95 100 81 2.5-3.5 4807=56, 5387/553=17...(11) HA ARG 23 - QB ALA 30 far 0 73 0 - 6.6-9.6 HA GLU 25 - QB ALA 30 far 0 93 0 - 6.9-8.1 HA VAL 90 - QB ALA 30 far 0 65 0 - 8.3-49.9 HB THR 88 - QB ALA 30 far 0 89 0 - 8.5-45.9 Violated in 12 structures by 0.21 A. Peak 5391 from cnoeabs.peaks (8.11, 4.00, 58.60 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.99: H ARG 71 + HA ARG 70 OK 99 99 100 100 3.5-3.6 3.6=100 H LYS 75 - HA ARG 70 lone 6 81 40 17 3.1-8.6 803/15061=10, 804/5984=4...(4) H LYS 85 - HA ARG 70 far 0 99 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 5392 from cnoeabs.peaks (3.51, 1.85, 30.22 ppm; 4.45 A): 3 out of 9 assignments used, quality = 1.00: HA ILE 68 + HB2 ARG 71 OK 96 100 100 96 2.0-5.0 5389/4.0=51, 5985/2.8=44...(11) HA ILE 68 + HB3 ARG 71 OK 86 100 90 96 3.0-6.3 15389/4.0=51...(10) HD3 PRO 34 + HB3 PRO 34 OK 25 25 100 100 3.0-3.9 3.0=100 HA ILE 68 - HB2 ARG 27 far 10 100 10 - 5.7-8.6 HA ILE 68 - HB3 ARG 27 far 0 100 0 - 6.0-8.5 HA ILE 68 - HB2 ARG 66 far 0 56 0 - 7.6-8.5 HA ILE 68 - HB2 ARG 23 far 0 77 0 - 7.9-12.5 HA ILE 68 - HB3 ARG 23 far 0 78 0 - 8.4-13.3 HA ILE 68 - HB2 ARG 26 far 0 53 0 - 9.9-13.2 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 19 assignments used, quality = 0.95: HB3 LEU 29 + HA ARG 26 OK 95 97 100 98 3.8-4.6 1.8/5348=74, 4186=50...(13) HG LEU 86 - HA ARG 26 far 3 60 5 - 4.4-49.5 HG LEU 86 - HA GLU 25 far 2 40 5 - 4.7-44.8 HB3 LEU 86 - HA ARG 26 far 0 99 0 - 5.7-47.7 HB3 LEU 29 - HA GLU 25 far 0 73 0 - 6.4-7.8 HG3 ARG 23 - HA ARG 26 far 0 63 0 - 6.5-9.3 HB3 LEU 86 - HA GLU 25 far 0 77 0 - 6.9-42.9 HG3 ARG 23 - HA GLU 25 far 0 43 0 - 7.3-9.5 HG LEU 64 - HA GLU 25 far 0 40 0 - 7.4-9.3 HG2 ARG 84 - HA ARG 26 far 0 73 0 - 8.4-41.7 HG3 ARG 84 - HA ARG 26 far 0 73 0 - 8.7-42.3 HG3 ARG 84 - HA ARG 71 far 0 60 0 - 9.0-32.4 HG2 ARG 84 - HA ARG 71 far 0 60 0 - 9.0-31.4 HG3 ARG 23 - HA ARG 71 far 0 51 0 - 9.1-16.9 HG LEU 64 - HA ARG 71 far 0 49 0 - 9.1-12.9 HG LEU 64 - HA ARG 26 far 0 60 0 - 9.5-11.0 HG2 LYS 39 - HA GLU 25 far 0 57 0 - 9.7-13.8 HG3 ARG 84 - HA GLU 25 far 0 51 0 - 9.7-37.6 HB3 LEU 86 - HA ARG 71 far 0 88 0 - 9.9-38.2 Violated in 19 structures by 0.45 A. Peak 5395 from cnoeabs.peaks (1.70, 4.07, 58.59 ppm; 3.83 A): 2 out of 12 assignments used, quality = 0.98: HB2 LEU 29 + HA ARG 26 OK 95 96 100 100 2.4-4.6 5348=88, 1.8/5394=73...(13) HG2 ARG 70 + HA ARG 71 OK 65 89 75 97 3.1-6.4 307/2.9=55, 2844/4.7=37...(21) HB2 LEU 29 - HA GLU 25 far 4 71 5 - 5.3-7.8 HB2 ARG 84 - HA ARG 26 far 0 78 0 - 6.0-42.1 HB3 LYS 13 - HA ARG 26 far 0 76 0 - 6.7-26.5 HB2 ARG 84 - HA GLU 25 far 0 55 0 - 7.4-37.4 HB3 LYS 83 - HA ARG 71 far 0 81 0 - 7.6-28.7 HB3 LEU 64 - HA GLU 25 far 0 76 0 - 8.0-10.7 HB3 LYS 85 - HA ARG 26 far 0 87 0 - 8.4-43.2 HG3 ARG 66 - HA ARG 71 far 0 86 0 - 8.5-12.7 HB3 LEU 64 - HA ARG 26 far 0 99 0 - 8.7-11.2 HB3 LYS 85 - HA GLU 25 far 0 62 0 - 9.0-39.5 Violated in 1 structures by 0.03 A. Peak 5396 from cnoeabs.peaks (7.97, 4.07, 58.59 ppm; 4.36 A): 6 out of 15 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...(12) H LEU 29 + HA ARG 26 OK 87 89 100 98 3.1-4.0 546/5348=63, 547/5394=57...(11) H ARG 70 + HA ARG 71 OK 71 77 100 92 5.0-5.5 303/2.9=71, 295/3.6=25...(10) 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 45 64 100 70 3.8-5.6 3.6/4181=41, 4184=22...(5) H LYS 73 + HA ARG 71 OK 27 51 100 52 3.8-5.2 5987/4.7=30, 942/2.9=19...(6) H VAL 76 - HA ARG 71 far 13 86 15 - 4.7-11.7 H ALA 30 - HA GLU 25 far 0 69 0 - 6.3-7.6 H ARG 69 - HA ARG 71 far 0 80 0 - 6.5-7.2 H LYS 32 - HA ARG 26 far 0 63 0 - 7.0-8.2 H GLY 72 - HA GLU 25 far 0 55 0 - 7.9-11.5 H LYS 32 - HA GLU 25 far 0 43 0 - 8.2-10.3 H VAL 76 - HA GLU 25 far 0 75 0 - 9.4-20.9 H ARG 69 - HA GLU 25 far 0 69 0 - 9.4-11.6 H LYS 73 - HA GLU 25 far 0 43 0 - 9.9-13.2 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 12 assignments used, quality = 0.96: HA GLN 79 + HB2 GLN 79 OK 88 88 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 67 67 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB2 GLN 79 poor 17 85 20 - 4.2-6.6 HA ALA 78 - HB3 GLN 79 poor 16 64 25 - 4.4-6.6 HA LYS 73 - HB2 GLN 79 far 3 70 5 - 5.0-19.7 HA LYS 73 - HB3 GLN 79 far 0 51 0 - 6.4-20.7 HA ARG 82 - HB3 GLN 79 far 0 46 0 - 7.2-11.4 HA ARG 82 - HB2 GLN 79 far 0 63 0 - 7.4-11.7 HA ARG 84 - HB2 GLN 79 far 0 78 0 - 8.2-16.9 HB THR 37 - HB3 GLN 79 far 0 40 0 - 8.6-26.4 HB THR 37 - HB2 GLN 79 far 0 56 0 - 8.7-26.3 HA ARG 84 - HB3 GLN 79 far 0 58 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 5402 from cnoeabs.peaks (0.93, 4.18, 56.67 ppm; 3.99 A): 3 out of 13 assignments used, quality = 0.98: QG2 VAL 41 + HA LYS 73 OK 93 96 100 97 2.7-4.4 2.1/5403=62, 5625=46...(18) QG1 VAL 76 + HA LYS 73 OK 41 98 45 93 2.3-9.1 2.1/6037=66, 3.9/5431=39...(16) QG2 VAL 76 + HA LYS 73 OK 36 98 40 93 2.6-11.0 2.1/6037=66, 3.9/5431=39...(17) QG1 VAL 90 - HA LEU 29 far 2 41 5 - 5.0-47.8 QG2 VAL 76 - HA ARG 82 far 0 53 0 - 5.7-14.3 QG2 ILE 40 - HA LYS 73 far 0 99 0 - 5.9-8.6 QD1 LEU 64 - HA LEU 29 far 0 35 0 - 6.2-7.4 QG1 VAL 76 - HA ARG 82 far 0 53 0 - 6.8-15.0 QD2 LEU 62 - HA ARG 82 far 0 53 0 - 7.3-29.1 QG2 VAL 90 - HA LEU 29 far 0 39 0 - 7.5-49.4 HG12 ILE 68 - HA LYS 73 far 0 98 0 - 7.8-11.9 QD2 LEU 43 - HA ARG 82 far 0 40 0 - 7.9-26.2 HG12 ILE 68 - HA LEU 29 far 0 69 0 - 8.9-11.5 Violated in 5 structures by 0.05 A. Peak 5403 from cnoeabs.peaks (0.80, 4.18, 56.67 ppm; 4.07 A): 1 out of 9 assignments used, quality = 0.98: QG1 VAL 41 + HA LYS 73 OK 98 99 100 99 1.9-3.9 5626=73, 4904/3.8=48...(18) QG2 ILE 68 - HA LYS 73 poor 11 92 25 46 4.6-7.8 5264/3.0=24...(5) QD1 ILE 89 - HA LEU 29 far 3 59 5 - 2.0-46.0 QD1 ILE 68 - HA LEU 29 far 0 59 0 - 6.4-8.1 QD1 ILE 89 - HA ARG 84 far 0 86 0 - 7.1-15.1 QD1 ILE 68 - HA LYS 73 far 0 89 0 - 7.5-10.6 QG2 ILE 68 - HA LEU 29 far 0 62 0 - 8.3-10.6 QG1 VAL 41 - HA ARG 82 far 0 54 0 - 9.7-19.0 QD1 ILE 89 - HA ARG 82 far 0 45 0 - 9.9-19.6 Violated in 0 structures by 0.00 A. Peak 5412 from cnoeabs.peaks (8.22, 1.38, 18.78 ppm; 3.49 A): 4 out of 21 assignments used, quality = 1.00: H ALA 77 + QB ALA 77 OK 100 100 100 100 2.0-2.9 2.9=100 H GLN 79 + QB ALA 78 OK 88 90 100 98 2.1-3.7 3.6=93, 3.0/5446=35...(7) H ALA 77 + QB ALA 78 OK 47 91 65 79 3.5-5.9 5857/2.9=25, 818=18...(17) H GLN 79 + QB ALA 77 OK 47 99 75 63 2.2-6.2 358=23, 5857/3.6=19...(11) H GLU 25 - QB ALA 20 far 12 80 15 - 4.2-9.1 H SER 22 - QB ALA 20 poor 10 96 40 26 2.6-6.1 3.5/6114=12, 3.5/6114=12...(5) H SER 22 - QB ALA 78 far 4 86 5 - 4.5-23.4 H ALA 28 - QB ALA 16 far 3 59 5 - 5.0-17.4 H SER 22 - QB ALA 16 far 3 58 5 - 4.6-16.2 H THR 15 - QB ALA 16 lone 1 49 45 2 4.3-5.8 3.0/1240=2 H ARG 84 - QB ALA 78 far 0 64 0 - 5.6-12.9 H GLU 25 - QB ALA 16 far 0 44 0 - 5.8-17.2 H ALA 28 - QB ALA 20 far 0 98 0 - 6.1-11.8 H THR 15 - QB ALA 20 far 0 86 0 - 6.4-17.2 H GLN 79 - QB ALA 20 far 0 99 0 - 6.4-26.1 H ALA 12 - QB ALA 20 far 0 88 0 - 6.6-25.7 H ALA 77 - QB ALA 20 far 0 100 0 - 7.3-25.7 H GLU 25 - QB ALA 78 far 0 69 0 - 7.7-22.2 H ALA 12 - QB ALA 16 far 0 50 0 - 7.8-13.3 H ARG 84 - QB ALA 77 far 0 76 0 - 8.8-15.4 H SER 22 - QB ALA 77 far 0 97 0 - 9.0-22.9 Violated in 0 structures by 0.00 A. Peak 5416 from cnoeabs.peaks (4.20, 2.33, 33.49 ppm; 3.77 A): 2 out of 12 assignments used, quality = 1.00: * HA GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.0-3.8 3.7=100 HA GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.3-3.7 3.7=100 HA ALA 78 - HG2 GLN 79 poor 20 98 20 - 4.4-7.3 HA ALA 78 - HG3 GLN 79 poor 13 98 25 54 3.2-7.2 3.6/5415=21, 2.1/5444=16...(7) HA LYS 73 - HG3 GLN 79 far 0 87 0 - 6.0-20.0 HA ARG 82 - HG2 GLN 79 far 0 81 0 - 6.3-13.4 HA LYS 73 - HG2 GLN 79 far 0 87 0 - 7.4-21.4 HA ARG 82 - HG3 GLN 79 far 0 81 0 - 7.6-13.6 HA ARG 84 - HG3 GLN 79 far 0 95 0 - 8.9-17.5 HA ARG 84 - HG2 GLN 79 far 0 95 0 - 9.0-18.5 HB THR 37 - HG3 GLN 79 far 0 68 0 - 9.8-25.0 HB THR 37 - HG2 GLN 79 far 0 68 0 - 9.8-26.7 Violated in 0 structures by 0.00 A. Peak 5417 from cnoeabs.peaks (8.22, 2.33, 33.49 ppm; 4.73 A): 4 out of 10 assignments used, quality = 1.00: H GLN 79 + HG3 GLN 79 OK 99 100 100 99 2.7-4.5 5.1=80, 824/3.0=50...(13) * H GLN 79 + HG2 GLN 79 OK 99 100 100 99 2.1-4.8 5.1=80, 824/3.0=50...(12) H ALA 77 + HG2 GLN 79 OK 29 98 45 66 4.0-9.7 349/5864=33, 2.9/5444=13...(8) H ALA 77 + HG3 GLN 79 OK 26 98 40 65 3.8-9.7 349/5852=32, 4.3/5865=12...(8) H SER 22 - HG3 GLN 79 far 5 99 5 - 6.1-31.0 H SER 22 - HG2 GLN 79 far 5 99 5 - 6.1-31.3 H ARG 84 - HG3 GLN 79 far 4 87 5 - 6.1-16.5 H ARG 84 - HG2 GLN 79 far 0 87 0 - 6.7-16.9 H GLU 25 - HG3 GLN 79 far 0 90 0 - 8.1-28.0 H GLU 25 - HG2 GLN 79 far 0 90 0 - 8.3-28.3 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 2.3-3.0 3.0=100 HA ASN 74 - HB2 ASN 80 far 10 100 10 - 3.8-18.9 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 2.3-3.0 3.0=100 HB2 ASN 80 - HA ASN 74 far 10 100 10 - 3.8-18.9 HB3 ASN 49 - HA ASN 80 far 0 71 0 - 6.7-31.4 Violated in 0 structures by 0.00 A. Peak 5430 from cnoeabs.peaks (4.20, 0.92, 20.67 ppm; 3.96 A): 3 out of 12 assignments used, quality = 0.68: HA LYS 73 + QG1 VAL 76 OK 37 88 45 93 2.3-9.1 6037/2.1=63, 5431/3.9=34...(16) HA LYS 73 + QG2 VAL 76 OK 33 89 40 92 2.6-11.0 6037/2.1=63, 5431/3.9=34...(17) HA ALA 78 + QG2 VAL 76 OK 24 97 40 61 3.1-7.8 2.9/5861=21, ~5861=14...(12) HA ALA 78 - QG1 VAL 76 poor 18 97 30 61 3.9-7.9 2.9/5861=21, ~5861=14...(12) HA ILE 89 - QG1 VAL 90 poor 16 41 75 50 3.7-6.0 412/4.0=36, 5432/2.1=22 HA GLN 79 - QG2 VAL 76 far 15 100 15 - 4.3-8.8 HA GLN 79 - QG1 VAL 76 far 15 100 15 - 3.8-9.1 HA ILE 89 - QG2 VAL 90 poor 12 40 60 50 3.4-5.9 412/4.0=36, 5432/2.1=22 HB THR 37 - QG2 VAL 76 far 3 65 5 - 4.5-16.7 HB THR 37 - QG1 VAL 76 far 3 65 5 - 5.2-14.9 HA ARG 82 - QG2 VAL 76 far 0 83 0 - 5.7-14.3 HA ARG 82 - QG1 VAL 76 far 0 82 0 - 6.8-15.0 Violated in 10 structures by 0.54 A. Peak 5432 from cnoeabs.peaks (4.18, 2.04, 32.56 ppm; 4.48 A): 2 out of 9 assignments used, quality = 0.63: * HA LYS 73 + HB VAL 76 OK 40 99 40 100 3.6-10.9 6037=100, 5431/813=56...(9) HA ILE 89 + HB VAL 90 OK 38 56 100 69 4.2-5.6 412/3.9=63, 5430/2.1=9 HA ALA 78 - HB VAL 76 poor 16 81 30 66 3.6-8.3 ~5861=19, 4.9/5436=14...(11) HA GLN 79 - HB VAL 76 far 10 96 10 - 5.1-10.3 HA LEU 29 - HB3 MET 31 far 2 39 5 - 5.5-7.5 HA LEU 29 - HB VAL 90 far 0 41 0 - 7.2-56.9 HB THR 15 - HB3 MET 31 far 0 50 0 - 8.2-21.8 HA ARG 82 - HB VAL 76 far 0 98 0 - 8.4-17.3 HA ILE 89 - HB3 MET 31 far 0 53 0 - 9.5-52.6 Violated in 10 structures by 0.08 A. Peak 5435 from cnoeabs.peaks (1.37, 3.97, 62.83 ppm; 4.47 A): 4 out of 9 assignments used, quality = 1.00: QB ALA 77 + HA VAL 76 OK 100 100 100 100 3.7-5.0 2.9/349=86, 2.1/5856=38...(19) HG2 LYS 75 + HA VAL 76 OK 51 87 60 98 4.5-6.7 2.7/5853=51, ~340=40...(23) HG3 LYS 75 + HA VAL 76 OK 43 87 50 98 3.8-7.0 2.7/5853=51, ~340=40...(23) QB ALA 78 + HA VAL 76 OK 26 90 40 73 4.1-7.2 3.6/3984=16, 4.6/6114=16...(15) HG3 LYS 73 - HA VAL 76 far 5 90 5 - 5.9-11.4 QB ALA 20 - HA VAL 76 far 0 99 0 - 7.5-25.1 HB3 ARG 69 - HA VAL 76 far 0 76 0 - 7.5-14.4 HG3 ARG 69 - HA VAL 76 far 0 100 0 - 7.9-15.0 HG2 LYS 83 - HA VAL 76 far 0 100 0 - 8.9-20.8 Violated in 0 structures by 0.00 A. Peak 5436 from cnoeabs.peaks (1.37, 2.04, 32.56 ppm; 5.17 A): 5 out of 11 assignments used, quality = 1.00: QB ALA 77 + HB VAL 76 OK 100 100 100 100 3.9-5.5 2.9/350=91, ~349=54...(13) HG3 LYS 73 + HB VAL 76 OK 46 95 50 96 3.7-10.6 3.8/6037=74, 5257/2.1=52...(12) QB ALA 78 + HB VAL 76 OK 43 95 65 70 2.7-8.0 ~5861=25, 818/350=16...(10) HG2 LYS 75 + HB VAL 76 OK 36 92 40 97 4.3-8.3 4.9/813=70, ~5853=41...(16) HG3 LYS 75 + HB VAL 76 OK 31 92 35 97 4.7-8.1 4.9/813=70, ~5853=41...(16) HB3 ARG 69 - HB VAL 76 poor 17 83 20 - 4.7-15.4 QB ALA 20 - HB VAL 76 far 5 100 5 - 6.1-24.1 HG3 ARG 69 - HB VAL 76 lone 1 100 25 2 5.9-13.7 QB ALA 16 - HB3 MET 31 far 0 54 0 - 8.4-19.3 HG2 LYS 83 - HB VAL 76 far 0 99 0 - 8.5-22.1 HG3 LYS 39 - HB VAL 76 far 0 57 0 - 9.6-22.6 Violated in 0 structures by 0.00 A. Peak 5437 from cnoeabs.peaks (0.91, 4.23, 52.70 ppm; 4.34 A): 2 out of 14 assignments used, quality = 0.99: QG2 VAL 76 + HA ALA 77 OK 94 97 100 98 3.7-5.8 ~350=44, 351/3.0=35...(15) QG1 VAL 76 + HA ALA 77 OK 90 97 95 98 3.0-5.9 ~350=44, 352/3.0=35...(17) QG1 VAL 76 - HA ALA 78 poor 15 49 45 66 3.9-7.9 5861/2.9=26, ~5861=18...(13) QG2 VAL 76 - HA ALA 78 poor 14 49 45 65 3.1-7.8 5861/2.9=27, ~5861=18...(12) QG2 VAL 41 - HA ALA 20 far 1 30 5 - 5.1-15.9 QG2 VAL 76 - HA ALA 20 far 0 46 0 - 6.4-23.9 QG2 VAL 41 - HA ALA 77 far 0 71 0 - 6.5-14.7 HG12 ILE 68 - HA ALA 20 far 0 46 0 - 6.6-16.8 QG2 VAL 41 - HA ALA 78 far 0 32 0 - 6.8-15.2 QG1 VAL 76 - HA ALA 20 far 0 46 0 - 6.9-23.0 QG2 ILE 40 - HA ALA 77 far 0 83 0 - 8.1-15.7 QG2 ILE 40 - HA ALA 20 far 0 36 0 - 8.2-17.6 QG2 ILE 40 - HA ALA 78 far 0 39 0 - 9.2-18.1 QD1 LEU 86 - HA ALA 78 far 0 36 0 - 9.7-19.9 Violated in 7 structures by 0.12 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 2.1-4.1 3.5=100 HE21 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-4.1 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): 4 out of 20 assignments used, quality = 0.93: QB ALA 78 + HG3 GLN 79 OK 60 100 85 70 3.0-6.9 5446/3.7=49, 3.6/5415=31...(6) QB ALA 78 + HG2 GLN 79 OK 59 100 85 70 3.2-6.4 5446/3.7=49, 3.6/5415=31...(6) QB ALA 77 + HG2 GLN 79 OK 36 99 70 52 3.2-8.5 358/5.1=17, 5446/3.7=16...(9) QB ALA 77 + HG3 GLN 79 OK 31 99 60 53 2.2-8.6 358/5.1=17, 5446/3.7=16...(10) HG3 LYS 75 - HG3 GLN 79 far 10 99 10 - 5.7-16.0 HG3 LYS 75 - HG2 GLN 79 far 10 99 10 - 6.0-16.5 HG3 LYS 73 - HG3 GLN 79 far 5 100 5 - 3.8-20.6 HG3 LYS 73 - HG2 GLN 79 far 5 100 5 - 4.9-21.9 HG2 LYS 75 - HG2 GLN 79 far 5 99 5 - 5.5-15.8 HB3 ARG 69 - HG2 GLN 79 far 5 96 5 - 5.2-20.9 HG2 LYS 83 - HG2 GLN 79 far 5 93 5 - 4.1-18.1 HG2 LYS 83 - HG3 GLN 79 far 5 93 5 - 5.8-17.3 HG2 LYS 75 - HG3 GLN 79 far 0 99 0 - 6.4-15.9 HG3 ARG 69 - HG2 GLN 79 far 0 99 0 - 6.7-23.5 HB3 ARG 69 - HG3 GLN 79 far 0 96 0 - 6.9-19.4 HG3 ARG 69 - HG3 GLN 79 far 0 99 0 - 7.0-22.0 HG2 LYS 85 - HG3 GLN 79 far 0 100 0 - 7.7-22.6 QB ALA 20 - HG2 GLN 79 far 0 100 0 - 7.7-27.7 QB ALA 20 - HG3 GLN 79 far 0 100 0 - 8.6-26.3 HG2 LYS 85 - HG2 GLN 79 far 0 100 0 - 9.2-22.3 Violated in 0 structures by 0.00 A. Peak 5445 from cnoeabs.peaks (8.21, 4.20, 56.12 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * H GLN 79 + HA GLN 79 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 84 - HA ARG 82 poor 12 61 20 - 3.2-6.5 H SER 22 - HA GLN 79 far 5 100 5 - 2.9-30.6 H ALA 77 - HA GLN 79 far 0 97 0 - 5.6-8.0 H ARG 84 - HA GLN 79 far 0 90 0 - 6.5-13.4 H GLU 25 - HA GLN 79 far 0 93 0 - 6.9-27.5 H SER 22 - HA ARG 82 far 0 73 0 - 7.9-35.6 H GLN 79 - HA ARG 82 far 0 74 0 - 8.0-11.8 H ALA 77 - HA ARG 82 far 0 68 0 - 9.5-15.5 Violated in 0 structures by 0.00 A. Peak 5446 from cnoeabs.peaks (1.39, 4.20, 56.12 ppm; 3.72 A): 2 out of 16 assignments used, quality = 0.81: QB ALA 78 + HA GLN 79 OK 75 100 100 75 3.7-5.0 5.0=42, 5412/3.0=18...(9) QB ALA 77 + HA GLN 79 OK 25 97 50 51 3.4-7.3 358/3.0=19, ~3176=8...(11) HG2 LYS 83 - HA ARG 82 poor 7 59 45 26 3.5-6.9 2.9/6051=11, 2.9/6062=8...(4) HG3 LYS 73 - HA GLN 79 far 5 100 5 - 5.0-19.3 HG2 LYS 83 - HA GLN 79 far 4 89 5 - 5.2-14.9 QB ALA 78 - HA ARG 82 far 4 74 5 - 4.5-10.9 HG2 LYS 75 - HA GLN 79 far 0 100 0 - 5.6-14.2 HB3 ARG 69 - HA GLN 79 far 0 98 0 - 6.5-18.8 QB ALA 20 - HA GLN 79 far 0 99 0 - 6.7-27.6 HG3 ARG 69 - HA GLN 79 far 0 98 0 - 7.2-20.2 HG3 LYS 75 - HA GLN 79 far 0 100 0 - 7.3-14.6 HG3 LYS 73 - HA ARG 82 far 0 74 0 - 8.0-22.4 QB ALA 77 - HA ARG 82 far 0 69 0 - 8.4-12.3 HG2 LYS 85 - HA ARG 82 far 0 70 0 - 8.7-13.2 HG2 LYS 85 - HA GLN 79 far 0 99 0 - 9.4-19.8 HG3 ARG 69 - HA ARG 82 far 0 70 0 - 9.9-25.2 Violated in 11 structures by 0.07 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 ARG 82 - HB VAL 76 far 5 97 5 - 6.5-15.7 H TYR 81 - HB VAL 76 lone 5 98 35 14 4.7-12.3 15882/5432=11 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 3 assignments used, quality = 1.00: * HA TYR 81 + HB2 TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 67 - HB2 TYR 81 far 0 85 0 - 8.6-27.6 HA SER 22 - HB2 TYR 81 far 0 97 0 - 9.5-32.1 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 3 assignments used, quality = 1.00: * HA TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 22 - HB3 TYR 81 far 0 97 0 - 8.7-30.4 HA ASP 67 - HB3 TYR 81 far 0 85 0 - 9.5-26.5 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 2 assignments used, quality = 1.00: * HB2 TYR 81 + HA TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 81 - HA SER 22 far 0 95 0 - 9.5-32.1 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 6 assignments used, quality = 1.00: * HB3 TYR 81 + HA TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 75 - HA SER 22 far 4 79 5 - 4.1-24.7 HE3 LYS 75 - HA SER 22 far 4 77 5 - 3.1-25.4 HE2 LYS 73 - HA TYR 81 far 0 68 0 - 5.6-18.2 HE3 LYS 73 - HA TYR 81 far 0 65 0 - 6.9-18.6 HB3 TYR 81 - HA SER 22 far 0 95 0 - 8.7-30.4 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): 2 out of 6 assignments used, quality = 0.92: * HA ALA 78 + HB2 TYR 81 OK 90 100 90 100 3.5-11.0 5862=100, 6049/1.8=76...(6) HA GLN 79 + HB2 TYR 81 OK 23 98 35 66 4.7-8.9 5868/2.5=33, 5459/1.8=24...(6) HA ALA 77 - HB2 TYR 81 far 3 65 5 - 5.8-10.2 HA LYS 73 - HB2 TYR 81 far 0 69 0 - 7.1-19.2 HA ARG 84 - HB2 TYR 81 far 0 78 0 - 7.4-11.9 HA LYS 85 - HB2 TYR 81 far 0 76 0 - 8.6-15.2 Violated in 18 structures by 0.68 A. Peak 5459 from cnoeabs.peaks (4.21, 2.98, 38.06 ppm; 4.69 A): 2 out of 6 assignments used, quality = 0.97: * HA ALA 78 + HB3 TYR 81 OK 95 100 95 100 2.2-10.6 6049=100, 5862/1.8=83...(6) HA GLN 79 + HB3 TYR 81 OK 45 98 70 65 4.6-7.2 5868/2.5=35, 5882/3.9=20...(6) HA ALA 77 - HB3 TYR 81 poor 16 65 25 - 4.2-9.5 HA LYS 73 - HB3 TYR 81 far 0 69 0 - 7.3-17.6 HA ARG 84 - HB3 TYR 81 far 0 78 0 - 8.3-12.6 HA LYS 85 - HB3 TYR 81 far 0 76 0 - 9.8-15.9 Violated in 1 structures by 0.08 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 2.3-2.8 2.5=100 QD PHE 48 - HB2 TYR 81 far 0 97 0 - 7.3-24.8 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 2.3-2.8 2.5=100 QD PHE 48 - HB3 TYR 81 far 0 97 0 - 7.2-23.2 Violated in 0 structures by 0.00 A. Peak 5464 from cnoeabs.peaks (8.05, 2.98, 38.06 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.1-3.6 3.9=100 H ARG 82 + HB3 TYR 81 OK 100 100 100 100 2.4-4.5 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 2.5-3.7 3.9=100 H ARG 82 + HB2 TYR 81 OK 100 100 100 100 1.9-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 5466 from cnoeabs.peaks (7.07, 4.46, 58.30 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.99: QD TYR 81 + HA TYR 81 OK 99 100 100 99 2.3-3.6 4674=97, 4.3/5474=39...(6) QD TYR 81 - HA SER 22 far 0 95 0 - 5.9-26.9 QD PHE 48 - HA TYR 81 far 0 99 0 - 9.5-23.8 Violated in 1 structures by 0.00 A. Peak 5467 from cnoeabs.peaks (8.05, 4.46, 58.30 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 81 + HA TYR 81 OK 100 100 100 100 2.7-2.9 3.0=100 H ARG 82 + HA TYR 81 OK 100 100 100 100 2.2-3.6 3.6=100 H ARG 82 - HA SER 22 far 0 95 0 - 6.9-32.6 H TYR 81 - HA SER 22 far 0 95 0 - 7.5-31.6 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 2.3-2.8 2.9=94, 5885/3.0=34...(17) HB3 ARG 54 - HB2 PRO 34 far 0 76 0 - 6.5-9.9 HG2 LYS 39 - HB2 PRO 34 far 0 76 0 - 6.8-10.3 HG LEU 64 - HB2 LYS 32 far 0 76 0 - 8.9-11.1 HG LEU 64 - HB3 LYS 32 far 0 76 0 - 9.4-12.1 HG2 LYS 39 - HB3 ARG 17 far 0 57 0 - 9.4-27.3 Violated in 0 structures by 0.00 A. Peak 5480 from cnoeabs.peaks (1.53, 1.69, 30.45 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: HG2 ARG 82 + HB2 ARG 82 OK 99 99 100 100 2.8-3.0 2.9=100 HB3 LEU 86 - HB2 ARG 82 far 0 60 0 - 8.0-15.6 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 6 assignments used, quality = 0.99: * HA ARG 82 + HG2 ARG 82 OK 99 99 100 100 2.2-3.6 3.8=100 HA GLN 79 - HG2 ARG 82 far 3 60 5 - 5.1-11.8 HA ARG 84 - HG2 ARG 82 far 0 90 0 - 5.8-9.3 HA LYS 73 - HG2 ARG 82 far 0 99 0 - 7.5-21.3 HA LEU 29 - HG LEU 64 far 0 91 0 - 8.5-9.5 HA GLN 79 - HG3 ARG 23 far 0 43 0 - 10.0-29.1 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 15 assignments used, quality = 0.99: HB2 ARG 82 + HG2 ARG 82 OK 92 100 100 92 2.8-3.0 2.9=63, 1.8/5479=51...(16) HB3 LEU 64 + HG LEU 64 OK 79 94 100 85 2.8-3.0 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 HB3 LYS 83 - HG2 ARG 82 far 0 76 0 - 5.4-8.6 HG3 ARG 66 - HG2 ARG 82 far 0 100 0 - 6.0-32.6 HG3 ARG 66 - HG LEU 64 far 0 94 0 - 6.0-8.4 HB3 LEU 64 - HG3 ARG 23 far 0 83 0 - 6.6-15.7 HG2 ARG 70 - HG2 ARG 82 far 0 93 0 - 7.9-26.6 HG LEU 29 - HG3 ARG 23 far 0 63 0 - 7.9-10.9 HG2 ARG 70 - HG LEU 64 far 0 84 0 - 8.2-11.8 HG LEU 29 - HG LEU 64 far 0 73 0 - 8.9-11.0 HB2 LEU 29 - HG3 ARG 23 far 0 59 0 - 9.1-13.1 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 9.4-13.3 HG2 ARG 23 - HG LEU 64 far 0 64 0 - 9.5-16.0 HB2 LEU 29 - HG LEU 64 far 0 69 0 - 9.7-11.4 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 17 assignments used, quality = 1.00: HB3 ARG 82 + HG2 ARG 82 OK 100 100 100 100 2.3-2.8 2.9=100 HG3 ARG 26 - HG3 ARG 23 poor 13 64 20 - 3.7-8.3 HB2 LYS 83 - HG2 ARG 82 far 5 93 5 - 4.6-8.6 HB3 LYS 73 - HG2 ARG 82 far 0 97 0 - 5.7-20.6 HB ILE 33 - HG LEU 64 far 0 94 0 - 5.9-7.7 HG3 ARG 71 - HG LEU 64 far 0 81 0 - 6.6-10.8 HB2 LEU 62 - HG LEU 64 far 0 71 0 - 6.9-9.6 HG3 ARG 71 - HG3 ARG 23 far 0 70 0 - 6.9-16.2 HB3 LYS 75 - HG3 ARG 23 far 0 63 0 - 7.1-26.4 HB2 LEU 57 - HG LEU 64 far 0 94 0 - 7.7-11.2 HG2 PRO 34 - HG LEU 64 far 0 91 0 - 8.5-12.0 HB2 LEU 62 - HG2 ARG 82 far 0 81 0 - 8.7-37.3 HB2 LYS 32 - HG LEU 64 far 0 92 0 - 8.9-11.1 HG3 ARG 26 - HG LEU 64 far 0 75 0 - 9.0-13.2 HB3 LYS 32 - HG LEU 64 far 0 92 0 - 9.4-12.1 HG3 ARG 71 - HG2 ARG 82 far 0 90 0 - 9.6-29.2 HB3 LYS 75 - HG LEU 64 far 0 73 0 - 9.8-20.3 Violated in 0 structures by 0.00 A. Peak 5485 from cnoeabs.peaks (8.18, 4.26, 56.28 ppm; 4.38 A): 2 out of 14 assignments used, quality = 0.82: H ARG 84 + HA LYS 83 OK 75 75 100 100 2.1-3.5 3.6=100 H ARG 84 + HA LYS 85 OK 28 41 100 69 4.5-5.6 367=28, ~377=28...(9) H THR 15 - HA ARG 17 far 0 54 0 - 6.4-9.3 H GLU 25 - HA LYS 85 far 0 38 0 - 7.4-39.3 H ASN 74 - HA ARG 17 far 0 41 0 - 7.8-29.7 H THR 15 - HA GLU 19 far 0 76 0 - 8.1-16.0 H GLU 25 - HA GLU 19 far 0 83 0 - 8.3-13.0 H ARG 27 - HA LYS 85 far 0 53 0 - 8.4-42.4 H ARG 27 - HA GLU 19 far 0 100 0 - 8.5-14.0 H ILE 89 - HA LYS 85 far 0 51 0 - 8.7-12.8 H GLU 25 - HA ARG 17 far 0 60 0 - 8.7-17.9 H ASN 74 - HA GLU 19 far 0 60 0 - 9.5-25.4 H ARG 27 - HA ARG 17 far 0 80 0 - 9.7-18.5 H ASN 74 - HA LYS 83 far 0 50 0 - 9.7-22.8 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 12 assignments used, quality = 0.99: QB ALA 16 + HA ARG 17 OK 96 100 100 96 3.8-4.9 5.0=89, ~22=56...(6) QB ALA 20 + HA GLU 19 OK 64 64 100 100 3.8-5.0 4.5=100 QB ALA 20 - HA ARG 17 far 4 87 5 - 5.5-10.6 QB ALA 12 - HA GLU 19 far 2 46 5 - 6.0-20.4 QB ALA 78 - HA GLU 19 far 2 44 5 - 4.6-29.4 QB ALA 16 - HA GLU 19 lone 1 80 30 3 3.9-9.7 3726/4822=1 QB ALA 12 - HA ARG 17 far 0 65 0 - 6.4-14.7 QB ALA 28 - HA GLU 19 far 0 58 0 - 6.6-14.2 QB ALA 28 - HA ARG 17 far 0 81 0 - 7.0-16.6 QB ALA 77 - HA GLU 19 far 0 67 0 - 7.5-27.5 QB ALA 77 - HA ARG 17 far 0 90 0 - 8.0-28.9 QB ALA 78 - HA ARG 17 far 0 63 0 - 8.5-29.6 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 3 assignments used, quality = 0.96: H ARG 71 + HG2 ARG 70 OK 96 96 100 100 2.0-4.2 5.0=100 H LYS 75 - HG2 ARG 70 far 10 100 10 - 6.1-10.3 H LYS 85 - HG2 ARG 70 far 0 97 0 - 8.8-32.9 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 23 assignments used, quality = 1.00: H ARG 71 + HG3 ARG 70 OK 100 100 100 100 2.3-4.8 307/1.8=87, 5.0=71...(22) H LYS 85 + HG3 ARG 84 OK 66 73 100 90 2.1-5.7 377/3.9=51, 378/3.0=37...(11) H LYS 85 + HG2 ARG 84 OK 66 73 100 90 3.6-5.5 377/3.9=51, 378/3.0=37...(10) H ARG 26 + HG2 ARG 26 OK 34 34 100 100 2.1-3.9 4.9=74, 530/1.8=55...(21) H ARG 26 - HG3 ARG 27 poor 17 43 40 - 4.0-7.3 H ARG 26 - HG2 ARG 27 poor 16 44 50 70 3.9-7.4 5380/5.0=43, 5345/3.8=26...(7) H LYS 85 - HG LEU 86 far 13 89 15 - 4.8-8.7 H THR 88 - HG LEU 86 poor 7 57 40 32 2.2-8.6 4.6/396=20, 3.6/3535=7...(4) H LYS 75 - HG3 ARG 70 far 5 92 5 - 5.6-10.4 H ARG 26 - HG LEU 86 far 3 57 5 - 5.8-47.8 H LYS 85 - HG2 ARG 26 far 0 58 0 - 6.3-43.7 H THR 88 - HG3 ARG 84 far 0 44 0 - 7.4-15.7 H THR 88 - HG2 ARG 26 far 0 34 0 - 7.9-50.0 H ARG 26 - HG3 ARG 84 far 0 44 0 - 7.9-40.2 H LYS 85 - HG3 ARG 70 far 0 100 0 - 8.2-31.4 H ARG 26 - HG2 ARG 84 far 0 44 0 - 8.2-39.6 H THR 88 - HG2 ARG 84 far 0 44 0 - 8.4-15.2 H ARG 71 - HG3 ARG 27 far 0 71 0 - 8.4-12.8 H ARG 71 - HG3 ARG 84 far 0 73 0 - 8.4-33.1 H ARG 71 - HG2 ARG 84 far 0 73 0 - 8.4-32.1 H ARG 26 - HG3 ARG 17 far 0 68 0 - 8.5-20.2 H ARG 71 - HG2 ARG 27 far 0 73 0 - 9.6-13.4 H ARG 26 - HG2 ARG 17 far 0 69 0 - 9.7-20.5 Violated in 0 structures by 0.00 A. Peak 5490 from cnoeabs.peaks (7.95, 3.21, 43.49 ppm; 5.13 A): 8 out of 23 assignments used, quality = 1.00: H ARG 70 + HD2 ARG 70 OK 100 100 100 100 3.7-5.7 770/3.0=87, 6.3=54...(20) H ARG 70 + HD3 ARG 70 OK 100 100 100 100 3.4-5.9 770/3.0=87, 6.3=54...(21) H ASP 67 + HD2 ARG 66 OK 60 61 100 99 3.8-6.6 280/3.0=61, 5802/3.0=38...(16) H ASP 67 + HD3 ARG 66 OK 57 58 100 99 4.5-6.6 280/3.0=61, 5802/3.0=38...(16) H ASP 67 + HD2 ARG 70 OK 40 76 55 95 5.0-9.1 ~5049=44, ~5052=42...(13) H ASP 67 + HD3 ARG 70 OK 32 76 45 95 4.2-8.3 ~5049=44, ~5052=42...(13) H ALA 63 + HD3 ARG 66 OK 28 56 50 99 4.9-8.2 ~4684=42, ~5369=40...(17) H ARG 70 + HD3 ARG 71 OK 23 58 45 86 4.4-7.6 303/5.8=52, 771/3.0=34...(13) H ALA 63 - HD2 ARG 66 poor 18 59 30 - 4.6-8.5 H ARG 69 - HD2 ARG 70 poor 15 60 55 45 5.6-8.5 4.6/5828=23...(5) H VAL 76 - HD2 ARG 70 far 15 99 15 - 4.7-14.6 H VAL 76 - HD3 ARG 70 far 15 99 15 - 5.6-14.0 H ARG 69 - HD3 ARG 70 poor 11 60 40 45 4.9-8.2 4.6/5828=22...(4) H ARG 70 - HD2 ARG 66 poor 9 89 30 34 5.7-8.8 767/5.2=18, 3927/3.0=6...(5) H VAL 76 - HD3 ARG 71 far 8 57 15 - 3.8-15.5 H ARG 69 - HD2 ARG 66 far 7 47 15 - 5.5-8.2 H ARG 69 - HD3 ARG 66 far 7 44 15 - 6.5-8.2 H ARG 70 - HD3 ARG 66 far 4 85 5 - 6.4-8.6 H ARG 69 - HD3 ARG 71 far 4 28 15 - 5.9-8.8 H ASP 67 - HD3 ARG 71 far 2 37 5 - 6.3-9.4 H ALA 63 - HD3 ARG 70 far 0 73 0 - 8.9-14.0 H ALA 63 - HD2 ARG 70 far 0 73 0 - 9.1-13.6 H LEU 29 - HD3 ARG 71 far 0 58 0 - 9.2-18.1 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 9 assignments used, quality = 0.81: HA3 GLY 21 + HA ALA 20 OK 56 90 100 62 4.3-5.2 4800=25, 1.8/4800=24...(4) HA2 GLY 21 + HA ALA 20 OK 56 89 100 63 4.3-5.3 4800=25, 1.8/4800=24...(4) HA3 GLY 18 - HA ALA 20 poor 20 99 20 - 5.2-8.0 HA2 GLY 72 - HA ALA 20 far 0 63 0 - 6.0-18.5 HA2 GLY 18 - HA ALA 20 far 0 99 0 - 6.1-7.9 HA THR 37 - HA ALA 20 far 0 100 0 - 8.1-16.7 HA3 GLY 21 - HA ALA 77 far 0 39 0 - 8.1-28.4 HA2 GLY 21 - HA ALA 77 far 0 38 0 - 8.2-28.8 HA2 GLY 72 - HA ALA 77 far 0 24 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. Peak 5495 from cnoeabs.peaks (1.62, 3.95, 45.26 ppm; 5.46 A): 4 out of 28 assignments used, quality = 0.93: HG2 ARG 17 + HA2 GLY 18 OK 50 64 95 82 3.4-7.1 2.9/5496=37, ~5496=29...(7) HG3 ARG 17 + HA3 GLY 18 OK 49 67 90 82 4.3-7.3 2.9/5496=39, ~5496=28...(8) HG2 ARG 17 + HA3 GLY 18 OK 49 66 90 82 3.6-7.2 2.9/5496=39, ~5496=28...(8) HG3 ARG 17 + HA2 GLY 18 OK 45 64 85 82 4.2-7.1 2.9/5496=37, ~5496=29...(7) HG2 ARG 26 - HA2 GLY 21 poor 20 100 45 43 4.2-11.0 1.8/4150=14, ~4150=11...(8) HG2 ARG 26 - HA3 GLY 21 poor 20 100 45 43 5.0-11.2 1.8/4150=14, ~4150=11...(8) HG3 ARG 17 - HA2 GLY 21 far 10 100 10 - 5.5-15.9 HG3 ARG 17 - HA3 GLY 21 far 10 100 10 - 6.1-16.2 HG2 ARG 17 - HA2 GLY 21 far 5 100 5 - 6.2-16.1 HG2 ARG 17 - HA3 GLY 21 far 5 100 5 - 6.4-16.3 HG2 ARG 71 - HA3 GLY 18 far 3 67 5 - 4.7-27.3 HG2 ARG 71 - HA2 GLY 18 far 3 64 5 - 5.8-27.1 HG2 ARG 26 - HA2 GLY 18 far 0 65 0 - 7.1-17.9 HG2 ARG 26 - HA3 GLY 18 far 0 67 0 - 7.2-17.9 HG2 ARG 71 - HA3 GLY 21 far 0 100 0 - 7.4-21.6 HG3 ARG 70 - HA3 GLY 18 far 0 62 0 - 7.6-28.5 HG3 ARG 70 - HA2 GLY 18 far 0 60 0 - 8.5-29.0 HD3 LYS 32 - HA3 GLY 18 far 0 62 0 - 8.6-24.8 HD3 LYS 32 - HA2 GLY 18 far 0 60 0 - 8.9-25.6 HG2 ARG 71 - HA2 GLY 21 far 0 100 0 - 9.0-20.7 HG3 ARG 27 - HA3 GLY 21 far 0 97 0 - 9.0-15.0 HD2 LYS 32 - HA3 GLY 18 far 0 60 0 - 9.1-25.0 HG2 ARG 27 - HA3 GLY 21 far 0 98 0 - 9.3-14.5 HG3 ARG 84 - HA2 GLY 21 far 0 60 0 - 9.6-41.9 HG3 ARG 27 - HA2 GLY 21 far 0 97 0 - 9.7-15.4 HG2 ARG 27 - HA2 GLY 21 far 0 98 0 - 9.7-14.7 HD2 LYS 32 - HA2 GLY 18 far 0 58 0 - 9.8-25.7 HD3 LYS 73 - HA2 GLY 18 far 0 58 0 - 10.0-29.6 Violated in 0 structures by 0.00 A. Peak 5496 from cnoeabs.peaks (1.86, 3.95, 45.26 ppm; 5.14 A): 2 out of 38 assignments used, quality = 0.51: HB2 ARG 17 + HA3 GLY 18 OK 31 44 100 70 4.0-5.9 1.8/4150=28, ~4150=21...(8) HB2 ARG 17 + HA2 GLY 18 OK 29 42 100 69 4.4-6.1 1.8/4150=27, ~4150=22...(8) HB2 ARG 26 - HA2 GLY 21 poor 18 89 20 - 5.9-11.2 HB3 ARG 23 - HA2 GLY 21 far 9 92 10 - 5.2-9.9 HB3 ARG 23 - HA3 GLY 21 far 9 92 10 - 5.3-10.1 HB2 ARG 23 - HA3 GLY 21 far 9 90 10 - 3.9-9.3 HB2 ARG 23 - HA2 GLY 21 far 9 90 10 - 5.1-9.4 HB3 ARG 26 - HA2 GLY 21 far 9 87 10 - 6.4-11.8 HB2 LYS 75 - HA3 GLY 21 far 8 83 10 - 3.8-25.0 HB2 LYS 75 - HA2 GLY 21 far 8 83 10 - 5.5-24.7 HB2 ARG 26 - HA3 GLY 21 far 4 89 5 - 6.4-10.9 HB3 ARG 26 - HA3 GLY 21 far 4 87 5 - 5.1-11.3 HB2 ARG 17 - HA3 GLY 21 far 4 76 5 - 6.6-15.7 HB3 ARG 71 - HA3 GLY 18 far 3 63 5 - 4.1-25.4 HB2 ARG 71 - HA3 GLY 18 far 3 62 5 - 5.7-24.5 HB3 ARG 71 - HA2 GLY 18 far 3 61 5 - 4.5-25.6 HB2 ARG 71 - HA2 GLY 18 far 3 60 5 - 6.2-24.4 HB2 ARG 17 - HA2 GLY 21 far 0 76 0 - 6.7-15.7 HB3 ARG 71 - HA3 GLY 21 far 0 98 0 - 7.0-19.8 HB2 ARG 71 - HA3 GLY 21 far 0 97 0 - 7.1-19.3 HB2 LYS 39 - HA2 GLY 18 far 0 62 0 - 7.6-26.6 HB2 LYS 75 - HA2 GLY 18 far 0 47 0 - 7.7-31.9 HB3 PRO 14 - HA3 GLY 18 far 0 42 0 - 7.9-15.5 HB3 ARG 26 - HA3 GLY 18 far 0 52 0 - 8.0-16.9 HB2 ARG 27 - HA3 GLY 21 far 0 97 0 - 8.2-12.2 HB3 ARG 71 - HA2 GLY 21 far 0 98 0 - 8.4-19.1 HB2 LYS 75 - HA3 GLY 18 far 0 49 0 - 8.5-31.1 HB3 ARG 26 - HA2 GLY 18 far 0 50 0 - 8.6-17.0 HB2 ARG 71 - HA2 GLY 21 far 0 97 0 - 8.6-18.4 HB2 LYS 39 - HA3 GLY 18 far 0 64 0 - 8.8-26.4 HB2 ARG 26 - HA3 GLY 18 far 0 54 0 - 8.9-15.5 HB2 ARG 27 - HA2 GLY 21 far 0 97 0 - 9.4-13.5 HB3 ARG 23 - HA3 GLY 18 far 0 56 0 - 9.5-18.4 HB2 ARG 27 - HA3 GLY 18 far 0 62 0 - 9.6-17.3 HB3 ARG 23 - HA2 GLY 18 far 0 54 0 - 9.6-18.6 HB3 PRO 14 - HA2 GLY 18 far 0 40 0 - 9.7-15.2 HB3 ARG 27 - HA3 GLY 21 far 0 98 0 - 9.7-13.7 HB2 ARG 26 - HA2 GLY 18 far 0 51 0 - 9.9-15.4 Violated in 2 structures by 0.01 A. Peak 5497 from cnoeabs.peaks (1.87, 3.89, 63.89 ppm; 5.61 A): 2 out of 10 assignments used, quality = 0.86: HB3 ARG 23 + HB3 SER 22 OK 64 81 95 84 4.1-7.2 4.2/5320=59, ~5499=34...(6) HB2 ARG 23 + HB3 SER 22 OK 60 78 90 85 3.9-7.2 4.2/5320=59, ~5499=36...(6) HB3 ARG 71 - HB3 SER 22 far 14 92 15 - 5.0-15.1 HB3 ARG 26 - HB3 SER 22 far 10 96 10 - 7.0-10.1 HB2 ARG 71 - HB3 SER 22 far 9 90 10 - 6.4-14.7 HB2 ARG 26 - HB3 SER 22 poor 8 97 30 26 6.4-9.9 4833/5084=25 HB2 LYS 75 - HB3 SER 22 far 7 68 10 - 3.1-20.2 HB2 ARG 27 - HB3 SER 22 far 0 90 0 - 7.4-10.0 HB3 ARG 27 - HB3 SER 22 far 0 92 0 - 8.5-11.6 HB ILE 68 - HB3 SER 22 far 0 63 0 - 8.5-14.5 Violated in 3 structures by 0.02 A. Peak 5498 from cnoeabs.peaks (2.27, 3.89, 63.89 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.96: HG2 GLU 25 + HB3 SER 22 OK 96 98 100 98 2.5-6.5 5500/3.0=57, 523/5084=56...(9) Violated in 6 structures by 0.18 A. Peak 5499 from cnoeabs.peaks (1.84, 4.01, 63.89 ppm; 5.30 A): 2 out of 7 assignments used, quality = 0.96: HB3 ARG 23 + HB2 SER 22 OK 81 99 100 82 4.3-6.7 4.2/4156=61, ~5497=27...(6) HB2 ARG 23 + HB2 SER 22 OK 78 100 95 82 4.3-6.9 4.2/4156=61, ~5497=29...(6) HB2 LYS 75 - HB2 SER 22 far 10 100 10 - 4.2-20.2 HB3 ARG 71 - HB2 SER 22 far 10 96 10 - 5.3-15.7 HB2 ARG 71 - HB2 SER 22 far 5 97 5 - 6.3-14.6 HB2 ARG 27 - HB2 SER 22 far 0 97 0 - 7.2-11.5 HB3 ARG 27 - HB2 SER 22 far 0 96 0 - 7.6-11.1 Violated in 4 structures by 0.02 A. Peak 5500 from cnoeabs.peaks (2.27, 4.45, 58.33 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.82: HG2 GLU 25 + HA SER 22 OK 75 92 85 96 2.6-7.1 5498/3.0=50, 3.0/4153=38...(12) HG3 GLU 25 + HA SER 22 OK 29 63 50 93 2.2-8.1 3.0/4153=38, ~5498=37...(12) Violated in 12 structures by 0.51 A. Peak 5501 from cnoeabs.peaks (8.34, 4.45, 58.33 ppm; 4.90 A): 2 out of 5 assignments used, quality = 0.96: H ASP 24 + HA SER 22 OK 93 100 100 93 4.0-5.1 4156/3.0=65, 5320/3.0=52...(6) H LYS 83 + HA TYR 81 OK 50 70 85 83 3.2-6.7 4.6/5474=54, 4.0/6059=41 H GLU 19 - HA SER 22 far 0 96 0 - 6.9-12.3 H LYS 83 - HA SER 22 far 0 78 0 - 8.3-35.8 H ALA 16 - HA SER 22 far 0 87 0 - 9.3-22.3 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (4.46, 4.13, 58.01 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.89: HA SER 22 + HA ARG 23 OK 66 97 100 68 4.3-4.8 5501/3.6=45, ~5499=22...(6) HA ASP 24 + HA ARG 23 OK 48 63 100 76 4.7-4.9 ~44=23, ~45=23...(10) HA ASP 24 + HA ARG 27 OK 38 40 100 97 4.9-6.4 6057/3.6=62, 5383/3.0=36...(17) HA PRO 14 - HA ARG 27 far 0 74 0 - 8.5-26.5 HA SER 22 - HA ARG 27 far 0 68 0 - 9.0-11.5 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 = 1.00: HB3 ARG 27 + HB2 ASP 24 OK 83 92 100 90 4.3-6.8 5974/4760=35...(13) HB2 ARG 27 + HB2 ASP 24 OK 82 90 100 91 4.0-6.8 4157/3.0=29...(13) HB3 ARG 23 + HB2 ASP 24 OK 68 81 90 94 5.4-7.2 4.2/517=85, 4157/3.0=20...(8) HB ILE 68 + HB2 ASP 24 OK 53 63 85 100 4.3-9.1 3.2/4760=89, 2.9/5976=67...(11) HB2 ARG 23 + HB2 ASP 24 OK 52 78 70 94 5.5-7.4 4.2/517=85, ~5524=18...(8) HB2 LYS 75 - HB2 ASP 24 poor 14 68 20 - 4.3-18.8 HB2 ARG 26 - HB2 ASP 24 poor 12 97 25 51 6.7-9.0 4833/52=33, 4.6/3740=17 HB2 ARG 71 - HB2 ASP 24 lone 7 90 60 14 3.6-9.8 5927/4760=9, 5096/4752=3 HB3 ARG 71 - HB2 ASP 24 lone 3 92 55 7 2.7-10.7 5927/4760=5 HB3 ARG 26 - HB2 ASP 24 far 0 96 0 - 7.8-9.1 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 10 assignments used, quality = 0.97: HB3 ARG 23 + HB3 ASP 24 OK 64 68 100 94 4.1-5.9 4.2/518=84, 3.0/5524=21...(8) HB2 ARG 23 + HB3 ASP 24 OK 61 65 100 94 4.1-6.2 4.2/518=84, 3.0/5524=21...(8) HB2 ARG 27 + HB3 ASP 24 OK 60 81 90 83 4.6-7.8 4157/3.0=25, ~4157=22...(12) HB3 ARG 27 + HB3 ASP 24 OK 53 83 80 80 5.8-8.1 ~4157=24, 4157/3.0=23...(11) HB ILE 68 - HB3 ASP 24 poor 19 76 25 - 5.9-9.9 HB2 ARG 26 - HB3 ASP 24 poor 13 99 25 53 6.7-9.0 4833/53=33, 4.6/3741=18...(4) HB2 ARG 71 - HB3 ASP 24 lone 3 81 60 6 3.5-10.8 5096/4752=4 HB3 ARG 71 - HB3 ASP 24 lone 1 83 60 2 2.0-11.4 HB2 LYS 39 - HB3 ASP 47 far 0 44 0 - 7.2-10.7 HB3 ARG 26 - HB3 ASP 24 far 0 99 0 - 8.1-9.1 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 4 assignments used, quality = 0.98: QD1 ILE 68 + HB2 ASP 24 OK 91 96 95 100 2.2-6.8 4760=96, 2.1/5508=48...(15) QG2 ILE 68 + HB2 ASP 24 OK 83 90 95 97 1.9-6.3 2.9/4760=70, 3.2/5976=40...(12) QG1 VAL 41 - HB2 ASP 24 far 0 100 0 - 6.3-9.3 QD1 ILE 89 - HB2 ASP 24 far 0 87 0 - 10.0-41.2 Violated in 1 structures by 0.07 A. Peak 5508 from cnoeabs.peaks (0.94, 2.56, 40.55 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.82: HG12 ILE 68 + HB2 ASP 24 OK 75 85 90 99 2.3-7.6 2.1/4760=84, 1.8/5976=49...(10) QD1 LEU 64 + HB2 ASP 24 OK 28 92 75 41 3.6-6.8 6102/5976=17...(7) QG2 VAL 41 - HB2 ASP 24 lone 8 100 40 19 4.5-7.3 1982/5507=15, 4885/4276=3 QG2 ILE 40 - HB2 ASP 24 far 5 97 5 - 5.7-9.3 QG2 VAL 76 - HB2 ASP 24 far 4 85 5 - 4.0-16.2 QG1 VAL 76 - HB2 ASP 24 far 0 85 0 - 6.2-15.6 Violated in 6 structures by 0.21 A. Peak 5510 from cnoeabs.peaks (8.13, 2.26, 36.07 ppm; 5.40 A): 1 out of 8 assignments used, quality = 1.00: H ARG 26 + HG2 GLU 25 OK 100 100 100 100 3.7-4.6 58=100, 3.6/1332=89...(13) H ARG 26 - HG3 GLU 19 far 3 61 5 - 6.3-16.4 H ARG 26 - HG2 GLU 19 far 0 61 0 - 6.9-15.8 H LYS 85 - HG2 GLU 25 far 0 57 0 - 8.4-37.3 H ALA 78 - HG2 GLU 25 far 0 95 0 - 8.6-25.0 H ASN 74 - HG2 GLU 25 far 0 89 0 - 9.6-17.3 H ARG 71 - HG2 GLU 25 far 0 60 0 - 9.8-15.8 H ASN 74 - HG2 GLU 19 far 0 49 0 - 10.0-27.6 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 7 assignments used, quality = 0.95: QB ALA 28 + HG3 GLU 25 OK 95 97 100 98 2.9-6.7 4181/1333=59...(10) QB ALA 20 - HG3 GLU 25 poor 18 63 70 41 2.8-9.2 5514/1.8=13, 4167/3.0=10...(8) HG2 LYS 85 - HG3 GLU 25 far 3 63 5 - 6.4-42.5 QB ALA 16 - HG3 GLU 25 lone 1 97 40 3 4.4-16.5 QB ALA 12 - HG3 GLU 25 far 0 89 0 - 7.2-27.1 HB2 LEU 52 - HG3 GLU 59 far 0 67 0 - 8.6-12.9 HG2 LYS 83 - HG3 GLU 25 far 0 85 0 - 9.3-36.1 Violated in 7 structures by 0.18 A. Peak 5513 from cnoeabs.peaks (1.16, 2.30, 36.07 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 37 + HG3 GLU 25 OK 98 99 100 100 2.0-5.1 4164/1.8=85...(10) QG2 THR 88 - HG3 GLU 59 far 0 62 0 - 7.8-43.6 QG2 THR 15 - HG3 GLU 25 far 0 63 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (1.36, 2.26, 36.07 ppm; 5.08 A): 4 out of 25 assignments used, quality = 0.95: QB ALA 28 + HG2 GLU 25 OK 76 78 100 98 4.0-5.9 5512/1.8=58...(9) QB ALA 20 + HG3 GLU 19 OK 45 49 100 92 3.6-6.3 ~29=37, ~31=25, ~30=25...(13) QB ALA 20 + HG2 GLU 19 OK 45 49 100 92 3.5-6.1 ~29=37, ~31=25, ~30=25...(14) QB ALA 20 + HG2 GLU 25 OK 33 89 70 52 3.4-8.5 4.8/5284=13, 4.8/5284=13...(8) QB ALA 16 - HG3 GLU 19 poor 15 62 25 - 2.8-11.2 QB ALA 16 - HG2 GLU 19 poor 12 62 20 - 4.2-9.9 HG3 LYS 75 - HG2 GLU 25 far 9 60 15 - 3.5-21.9 QB ALA 28 - HG2 GLU 19 poor 8 41 20 - 5.4-15.7 QB ALA 28 - HG3 GLU 19 far 6 41 15 - 6.0-16.1 HG2 LYS 75 - HG2 GLU 25 far 6 60 10 - 3.8-21.8 HG3 LYS 75 - HG3 GLU 19 far 2 30 5 - 5.0-33.3 HG3 LYS 75 - HG2 GLU 19 far 2 30 5 - 5.5-32.6 HG2 LYS 75 - HG2 GLU 19 far 2 30 5 - 5.7-31.5 HG2 LYS 75 - HG3 GLU 19 far 2 30 5 - 5.7-32.2 QB ALA 16 - HG2 GLU 25 lone 1 100 25 3 4.5-16.5 QB ALA 78 - HG2 GLU 19 far 0 33 0 - 7.1-31.0 QB ALA 78 - HG2 GLU 25 far 0 65 0 - 7.4-22.0 HG2 LYS 85 - HG2 GLU 25 far 0 89 0 - 7.6-41.0 QB ALA 78 - HG3 GLU 19 far 0 33 0 - 7.8-31.2 QB ALA 12 - HG2 GLU 25 far 0 63 0 - 8.2-28.3 QB ALA 12 - HG2 GLU 19 far 0 32 0 - 8.6-20.2 QB ALA 77 - HG2 GLU 19 far 0 52 0 - 9.0-27.5 QB ALA 77 - HG3 GLU 19 far 0 52 0 - 9.4-27.8 QB ALA 12 - HG3 GLU 19 far 0 32 0 - 9.4-21.5 QB ALA 77 - HG2 GLU 25 far 0 92 0 - 9.5-22.0 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 3.7-5.9 5105/3.0=100...(10) QG2 THR 37 + HB3 GLU 25 OK 100 100 100 100 3.7-5.6 5105/3.0=100...(10) HG LEU 52 + HB3 GLU 50 OK 29 52 100 56 6.9-7.7 204/5698=31, 5690/4.7=30...(4) HG LEU 52 + HB2 GLU 50 OK 28 52 100 54 6.3-7.5 204/5698=31, 5690/4.7=30 QG2 THR 15 - HB3 GLU 25 far 13 87 15 - 7.1-19.2 QG2 THR 15 - HB2 GLU 25 far 0 87 0 - 8.3-18.2 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 12 assignments used, quality = 0.00: HA ARG 17 - HG3 GLU 19 far 8 53 15 - 4.5-10.1 HA ARG 17 - HG2 GLU 19 far 5 53 10 - 5.4-10.5 HA ASP 38 - HG2 GLU 19 far 3 54 5 - 4.7-22.1 HA ASP 38 - HG3 GLU 19 far 3 54 5 - 5.5-22.1 HA ALA 16 - HG3 GLU 19 far 2 48 5 - 4.6-12.8 HA ALA 16 - HG2 GLU 19 far 0 48 0 - 5.9-12.1 HA ALA 16 - HG2 GLU 25 far 0 87 0 - 6.4-19.4 HA ASP 38 - HG2 GLU 25 far 0 95 0 - 6.9-11.7 HA ARG 17 - HG2 GLU 25 far 0 93 0 - 7.2-16.6 HA PRO 34 - HG3 GLU 19 far 0 38 0 - 8.0-27.7 HA LEU 86 - HG2 GLU 25 far 0 97 0 - 9.1-41.5 HA PRO 34 - HG2 GLU 19 far 0 38 0 - 9.3-26.6 Violated in 18 structures by 1.34 A. Peak 5518 from cnoeabs.peaks (7.70, 4.12, 58.29 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.97: H MET 31 + HA ARG 27 OK 97 99 100 98 3.9-5.1 3.6/5388=88, 86/5386=42...(7) H MET 31 - HA GLU 25 far 0 54 0 - 7.4-8.7 H GLN 61 - HA ARG 27 far 0 87 0 - 9.2-12.2 H MET 31 - HA ARG 23 far 0 72 0 - 9.4-12.1 H ASN 42 - HA GLU 25 far 0 42 0 - 9.6-13.0 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 3.6-5.6 6116/5388=53...(5) HB3 ASP 24 + HA ARG 23 OK 55 60 100 92 5.5-5.8 518/3.6=78, 5506/3.0=14...(10) HB3 ASP 24 + HA GLU 25 OK 43 44 100 97 4.4-5.6 53/2.9=81, ~52=68...(9) HG2 GLN 61 - HA ARG 27 far 0 100 0 - 7.4-11.8 HB3 ASP 38 - HA GLU 25 far 0 44 0 - 7.5-10.8 HB3 ASP 24 - HA ARG 27 far 0 89 0 - 7.6-8.8 HB2 ASP 38 - HA GLU 25 far 0 45 0 - 7.9-11.2 HG2 MET 31 - HA GLU 25 far 0 40 0 - 8.3-10.5 HG2 MET 31 - HA ARG 23 far 0 55 0 - 9.5-13.1 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 3.7-4.8 86/3.6=78, 5525/3.0=57...(9) H ASN 42 - HA LYS 73 far 0 74 0 - 6.7-9.0 Violated in 1 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 = 0.96: HB3 MET 31 + HA ALA 28 OK 96 97 100 100 3.4-5.3 4.0/4182=63, 3.0/5530=63...(16) HB2 GLU 25 - HA ALA 28 far 5 99 5 - 6.4-8.6 HB3 GLU 25 - HA ALA 28 far 0 100 0 - 7.1-8.2 HB3 GLU 19 - HA ALA 28 far 0 81 0 - 8.6-19.2 Violated in 0 structures by 0.00 A. Peak 5530 from cnoeabs.peaks (2.64, 3.96, 54.22 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.95: HG2 MET 31 + HA ALA 28 OK 95 95 100 100 2.9-5.7 3.0/5529=76...(17) Violated in 1 structures by 0.00 A. Peak 5531 from cnoeabs.peaks (2.06, 1.34, 17.80 ppm; 4.92 A): 3 out of 6 assignments used, quality = 1.00: HB3 MET 31 + QB ALA 28 OK 99 100 100 100 4.8-6.4 5529/2.1=67...(13) HB3 GLU 25 + QB ALA 28 OK 96 97 100 99 4.2-5.3 3.0/4181=64, 3.0/5512=48...(17) HB2 GLU 25 + QB ALA 28 OK 95 96 100 99 3.4-5.9 3.0/4181=64, 3.0/5512=48...(17) HB3 GLU 19 - QB ALA 28 far 7 65 10 - 5.2-15.3 HG2 PRO 36 - QB ALA 28 far 3 63 5 - 6.4-8.1 HB VAL 76 - QB ALA 28 far 0 81 0 - 9.0-19.1 Violated in 0 structures by 0.00 A. Peak 5532 from cnoeabs.peaks (1.19, 1.34, 17.80 ppm; 3.48 A): 2 out of 4 assignments used, quality = 0.95: QG2 THR 37 + QB ALA 28 OK 94 95 100 99 2.5-4.9 6128=95, 4285/5195=29...(19) QG2 VAL 65 + QB ALA 28 OK 21 63 55 60 3.9-6.1 4727/5195=22...(9) QG2 THR 15 - QB ALA 28 far 5 99 5 - 4.7-14.8 HG LEU 52 - QB ALA 28 far 0 97 0 - 9.8-11.5 Violated in 11 structures by 0.08 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 94 97 100 96 4.1-6.1 4760/4758=70, 52/5511=49...(11) HG3 MET 31 + QB ALA 28 OK 79 83 95 100 4.4-6.9 4200/5162=63, ~5530=54...(16) HB2 GLN 61 - QB ALA 28 far 0 87 0 - 6.8-9.3 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 5 assignments used, quality = 1.00: QD2 LEU 29 + QB ALA 30 OK 99 99 100 100 3.2-5.5 3.1/4843=68, 3768/553=63...(27) QD2 LEU 64 + QB ALA 30 OK 97 99 100 99 4.2-5.6 4200/5305=48, 5029=46...(17) QD1 LEU 29 + QB ALA 30 OK 63 63 100 100 2.6-5.5 3.1/4843=68, ~83=47...(19) QG2 ILE 89 - QB ALA 30 far 5 97 5 - 6.0-41.8 QD2 LEU 86 - QB ALA 30 far 4 83 5 - 5.5-37.1 Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (1.87, 1.45, 18.14 ppm; 4.18 A): 4 out of 8 assignments used, quality = 0.99: HB2 ARG 27 + QB ALA 30 OK 73 81 95 95 4.9-5.8 3.0/5388=84, 4.1/5519=36...(11) HB3 ARG 27 + QB ALA 30 OK 71 83 90 95 4.5-5.8 3.0/5388=84, 4.1/5519=36...(11) HB2 ARG 26 + QB ALA 30 OK 69 99 90 77 3.7-6.2 4.6/5519=33, 4194/553=22...(11) HB3 ARG 26 + QB ALA 30 OK 69 99 90 78 3.4-5.9 4.6/5519=33, 4194/553=26...(11) HB2 MET 11 - QB ALA 30 far 5 97 5 - 2.9-28.3 HB3 PRO 14 - QB ALA 30 far 5 95 5 - 2.6-20.3 HB2 ARG 23 - QB ALA 30 far 0 65 0 - 7.5-11.0 HB3 ARG 23 - QB ALA 30 far 0 68 0 - 7.6-10.6 Violated in 2 structures by 0.01 A. Peak 5539 from cnoeabs.peaks (8.17, 1.45, 18.14 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: H ARG 27 + QB ALA 30 OK 100 100 100 100 4.5-5.6 5519=100, 3.0/5388=99...(11) H GLU 25 - QB ALA 30 far 0 65 0 - 7.6-8.7 H ILE 89 - QB ALA 30 far 0 100 0 - 9.2-47.7 Violated in 1 structures by 0.01 A. Peak 5543 from cnoeabs.peaks (1.45, 3.98, 56.13 ppm; 5.27 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 33 + HA LYS 32 OK 98 100 100 98 3.9-6.6 574/3776=93, 5541/3.0=39...(11) QB ALA 30 + HA LYS 32 OK 86 100 100 86 5.8-6.2 5541/3.0=41, 553/4841=33...(7) HG3 LYS 13 - HA LYS 32 poor 20 99 20 - 5.2-29.5 HG2 LYS 13 - HA LYS 32 far 11 71 15 - 4.6-27.8 HG13 ILE 89 - HA LYS 32 far 5 98 5 - 6.4-55.2 HB3 LEU 57 - HA LYS 32 far 0 83 0 - 8.4-11.8 Violated in 8 structures by 0.06 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 2.0-4.5 5762=99, 1.7/5763=91...(12) 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 3.4-4.4 4248/3.2=96, 110/4216=84...(14) 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 2.9-4.6 4248/2.1=90, 5351/3.2=62...(14) Violated in 0 structures by 0.00 A. Peak 5548 from cnoeabs.peaks (6.83, 0.31, 17.04 ppm; 5.71 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 61 + QG2 ILE 33 OK 100 100 100 100 4.1-4.8 5763/3.2=84, 1.7/5549=83...(20) QE TYR 55 + QG2 ILE 33 OK 86 95 100 91 4.8-6.9 5712/5102=53...(8) 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 3.5-5.5 5762/3.2=83, ~4213=67...(17) H LEU 52 - QG2 ILE 33 far 7 68 10 - 7.0-9.2 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 3.4-4.9 1542/4847=56...(13) H GLN 61 + QD1 ILE 33 OK 76 76 100 100 4.6-6.2 5.0/4224=58, 3.0/4503=49...(19) H TYR 55 - QD1 ILE 33 far 0 92 0 - 8.2-9.9 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 4.6-5.7 4567/3.2=92, ~4583=71...(19) 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 3.4-4.5 4243/2.3=96, 4242/2.3=93...(24) Violated in 0 structures by 0.00 A. Peak 5553 from cnoeabs.peaks (6.30, 2.72, 50.48 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.97: H PHE 35 + HD2 PRO 34 OK 97 97 100 100 2.7-4.5 110=97, 4248/4215=90...(13) Violated in 0 structures by 0.00 A. Peak 5554 from cnoeabs.peaks (6.31, 3.54, 50.48 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: H PHE 35 + HD3 PRO 34 OK 99 99 100 100 3.8-4.6 110/1.8=98, 4248/4214=89...(12) H PHE 35 + HD3 PRO 36 OK 44 44 100 100 4.6-5.1 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 4 assignments used, quality = 1.00: HA PRO 34 + QG2 ILE 33 OK 100 100 100 100 3.9-4.4 3.6/4248=93, 3.6/4215=86...(12) HA ALA 16 - QG2 ILE 33 far 0 100 0 - 6.9-17.1 HA LEU 86 - QG2 ILE 33 far 0 96 0 - 8.6-34.8 HA GLU 87 - QG2 ILE 33 far 0 100 0 - 9.5-37.2 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 3.6-4.1 3.6=100 HA ALA 16 - HD2 PRO 34 far 0 100 0 - 8.7-22.0 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 5 assignments used, quality = 1.00: QD2 LEU 64 + HB ILE 33 OK 100 100 100 100 3.9-5.6 6122/3.2=87...(17) QD2 LEU 29 + HB ILE 33 OK 78 100 85 91 4.0-7.1 4839/4180=65...(9) QG2 ILE 89 - HB ILE 33 far 5 100 5 - 4.0-43.9 QD2 LEU 86 - HB ILE 33 far 5 96 5 - 6.4-38.3 QD1 LEU 43 - HB ILE 33 far 0 92 0 - 9.0-10.8 Violated in 1 structures by 0.01 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 2.8-4.6 4.0=100 H PHE 35 - HB2 LYS 32 far 3 65 5 - 6.6-9.1 H PHE 35 - HB3 LYS 32 far 3 65 5 - 6.7-9.6 H PHE 35 - HB2 ARG 54 far 0 51 0 - 7.5-13.6 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (6.30, 1.87, 30.55 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.97: H PHE 35 + HB3 PRO 34 OK 97 97 100 100 2.9-4.7 4.0=100 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 4.4-6.2 4667/2.3=89, 4664/3.8=72...(12) HE22 GLN 61 + HA PRO 34 OK 75 85 95 93 4.5-7.2 4655/3.6=59, 4206/4.8=52...(7) Violated in 0 structures by 0.00 A. Peak 5564 from cnoeabs.peaks (6.32, 1.04, 26.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: H PHE 35 + HG3 PRO 34 OK 100 100 100 100 1.9-4.3 110/2.3=94, 582/4243=75...(14) 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 2.0-4.4 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...(18) HD2 PRO 36 - HG3 PRO 34 far 11 76 15 - 6.4-8.4 HA LEU 51 - HG3 PRO 34 far 0 100 0 - 7.0-8.7 HA LEU 62 - HG3 PRO 34 far 0 60 0 - 7.6-9.3 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 2.4-4.2 2.5/5565=81...(18) HB3 PHE 35 + HG3 PRO 34 OK 60 60 100 100 4.0-5.6 2.6/4243=89, ~4242=63...(16) HE3 LYS 32 - HG3 PRO 34 far 0 92 0 - 7.6-12.4 HE2 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.7-13.0 Violated in 0 structures by 0.00 A. Peak 5568 from cnoeabs.peaks (2.72, 1.78, 30.55 ppm; 5.19 A): 2 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 OK 33 64 80 64 4.5-7.2 4.8/97=23, 1.8/1713=21...(6) HD2 PRO 34 - HB3 LYS 32 poor 16 64 25 - 5.3-8.1 HB2 ASN 80 - HB3 ARG 82 far 7 74 10 - 5.8-10.4 HD2 PRO 34 - HB2 ARG 54 far 0 51 0 - 8.3-13.0 HB2 ASN 80 - HB3 ARG 84 far 0 54 0 - 9.6-15.0 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 5 assignments used, quality = 1.00: HD2 PRO 36 + HB2 PHE 35 OK 100 100 100 100 1.9-3.5 4260=100, 5577/1.8=82...(21) HA ILE 33 - HB2 PHE 35 far 0 90 0 - 6.8-7.9 HA LEU 51 - HB2 PHE 35 far 0 83 0 - 7.2-8.8 HA LEU 51 - HB3 PHE 48 far 0 44 0 - 7.3-7.9 HD2 PRO 36 - HB3 PHE 48 far 0 61 0 - 9.5-13.7 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 5 assignments used, quality = 1.00: HD3 PRO 36 + HB2 PHE 35 OK 100 100 100 100 1.9-3.5 4874=92, 1.8/4260=78...(22) HA VAL 41 - HB3 PHE 48 poor 10 52 20 - 5.1-7.2 HD3 PRO 34 - HB2 PHE 35 far 0 73 0 - 6.3-7.5 HD3 PRO 36 - HB3 PHE 48 far 0 61 0 - 9.6-14.1 HA VAL 41 - HB2 PHE 35 far 0 93 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 5571 from cnoeabs.peaks (2.08, 2.85, 38.77 ppm; 5.10 A): 4 out of 6 assignments used, quality = 1.00: HG2 PRO 36 + HB2 PHE 35 OK 96 96 100 100 3.6-4.6 2.3/4260=96, 2.3/5570=94...(26) HG3 PRO 36 + HB2 PHE 35 OK 93 93 100 100 3.7-4.7 2.3/4260=96, 2.3/5570=94...(26) HB3 PRO 44 + HB3 PHE 48 OK 47 57 100 82 5.6-6.6 5131/4.0=32...(12) HB VAL 45 + HB3 PHE 48 OK 25 49 50 100 5.1-6.8 ~4407=64, ~4421=61...(16) HG2 PRO 36 - HB3 PHE 48 far 0 54 0 - 9.4-12.3 HG3 PRO 36 - HB3 PHE 48 far 0 52 0 - 9.6-14.0 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 4.9-5.4 2.3/4257=92, 2.3/5577=90...(27) HG3 PRO 36 + HB3 PHE 35 OK 98 98 100 100 4.9-5.8 2.3/4257=92, 2.3/5577=90...(27) HG3 PRO 56 - HB3 PHE 35 far 0 100 0 - 8.7-11.8 Violated in 2 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (2.08, 4.99, 52.48 ppm; 4.02 A): 2 out of 4 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 4.5-4.6 2.3/4252=87, 2.3/4251=84...(23) HG3 PRO 56 - HA PHE 35 far 0 98 0 - 9.3-12.7 HB3 GLU 25 - HA PHE 35 far 0 65 0 - 10.0-13.8 Violated in 15 structures by 0.03 A. Peak 5574 from cnoeabs.peaks (0.63, 2.85, 38.77 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + HB2 PHE 35 OK 100 100 100 100 3.2-4.6 4534/2.6=86, 5353/1.8=70...(18) QD1 LEU 51 + HB3 PHE 48 OK 42 61 70 100 5.3-7.2 5686/2.5=65, 4469/3.0=59...(15) Violated in 0 structures by 0.00 A. Peak 5575 from cnoeabs.peaks (0.17, 2.85, 38.77 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 51 + HB2 PHE 35 OK 85 85 100 100 2.7-4.0 4568/2.6=87, 4584/4.5=58...(19) QD2 LEU 51 + HB3 PHE 48 OK 45 45 100 100 4.1-5.6 4527/2.5=64, 4470/3.0=59...(18) 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 2.8-4.1 4258=82, 1.8/4260=79...(24) HB3 TYR 55 - HD2 PRO 36 far 0 83 0 - 8.6-10.6 Violated in 11 structures by 0.06 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 3.6-5.0 2.6/4260=90, 2.6/5577=88...(21) Violated in 9 structures by 0.02 A. Peak 5579 from cnoeabs.peaks (6.66, 3.57, 50.78 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 35 + HD3 PRO 36 OK 99 99 100 100 3.8-5.0 2.6/4874=91, 2.6/4257=87...(18) QD PHE 35 + HD3 PRO 34 OK 44 44 100 100 3.4-5.4 4649/1.8=91, 4243/2.3=82...(23) 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 4.7-5.1 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 4.6-5.1 4.8=100 H PHE 35 + HD3 PRO 34 OK 45 45 100 100 3.8-4.6 110/1.8=99, 4248/4.1=90...(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...(18) Violated in 0 structures by 0.00 A. Peak 5584 from cnoeabs.peaks (1.79, 2.45, 32.41 ppm; 5.15 A): 1 out of 11 assignments used, quality = 0.91: HB3 LYS 39 + HB3 PRO 36 OK 91 96 95 100 4.5-6.8 4877/1.8=95, 2.9/5586=59...(22) HB ILE 33 - HB3 PRO 36 far 10 68 15 - 6.5-7.5 HB2 LYS 85 - HB3 PRO 36 far 5 99 5 - 5.6-41.9 HB3 ARG 82 - HB2 PRO 44 far 0 27 0 - 7.5-29.4 HB ILE 89 - HB3 PRO 36 far 0 60 0 - 8.7-51.5 HB2 LYS 73 - HB2 PRO 44 far 0 29 0 - 8.8-14.9 HB2 PRO 34 - HB3 PRO 36 far 0 92 0 - 8.9-10.6 HB3 LYS 75 - HB2 PRO 44 far 0 54 0 - 9.1-20.1 HB2 LYS 13 - HB3 PRO 36 far 0 100 0 - 9.4-29.8 HB3 LYS 73 - HB2 PRO 44 far 0 44 0 - 9.4-13.7 HB2 LYS 83 - HB2 PRO 44 far 0 49 0 - 9.6-33.4 Violated in 15 structures by 0.74 A. Peak 5585 from cnoeabs.peaks (1.56, 2.45, 32.41 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.96: HD3 LYS 39 + HB3 PRO 36 OK 68 76 90 100 4.6-7.8 3.5/5584=67, 3.0/5586=64...(24) HG2 LYS 39 + HB3 PRO 36 OK 63 97 65 100 4.8-7.8 1.8/5586=74, 2.9/5584=74...(26) HD2 LYS 39 + HB3 PRO 36 OK 62 73 85 100 4.7-7.7 3.5/5584=67, 3.0/5586=64...(24) HB3 LEU 86 - HB3 PRO 36 far 5 100 5 - 4.5-44.1 HB3 LEU 29 - HB3 PRO 36 far 0 81 0 - 8.1-11.8 Violated in 2 structures by 0.01 A. Peak 5586 from cnoeabs.peaks (1.39, 2.45, 32.41 ppm; 5.70 A): 1 out of 11 assignments used, quality = 0.65: HG3 LYS 39 + HB3 PRO 36 OK 65 93 70 100 5.2-7.8 2.9/5584=81, 4876/1.8=78...(25) QB ALA 20 - HB3 PRO 36 poor 19 95 20 - 5.6-13.3 HG2 LYS 85 - HB3 PRO 36 far 0 95 0 - 7.8-44.0 HG3 LYS 73 - HB2 PRO 44 far 0 56 0 - 7.9-12.7 QB ALA 78 - HB2 PRO 44 far 0 56 0 - 8.1-23.7 HG3 ARG 69 - HB2 PRO 44 far 0 48 0 - 8.1-11.6 HG2 LYS 75 - HB2 PRO 44 far 0 56 0 - 8.3-21.0 HG2 LYS 83 - HB2 PRO 44 far 0 37 0 - 9.1-35.3 HG3 LYS 39 - HB2 PRO 44 far 0 48 0 - 9.6-12.6 HB3 ARG 69 - HB2 PRO 44 far 0 56 0 - 9.7-12.7 QB ALA 77 - HB2 PRO 44 far 0 47 0 - 10.0-22.0 Violated in 18 structures by 1.23 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 3.9-5.2 915/4308=67, 139/4309=65...(11) HD21 ASN 42 - HA THR 37 far 0 89 0 - 6.9-8.3 Violated in 1 structures by 0.01 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 3.5-4.6 914/3.6=84, 4888/3.0=76...(10) 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 2.3-4.0 4320=100, 2.1/4318=99...(22) QG1 VAL 65 + QD PHE 35 OK 98 98 100 100 3.6-6.6 5031=99, 4728/6096=70...(17) HG13 ILE 33 + QD PHE 35 OK 91 96 95 100 4.9-7.4 3.2/4567=94, 2.1/5551=74...(14) QG2 VAL 65 + QD PHE 35 OK 88 88 100 100 3.5-5.1 2.1/5031=92...(21) HG2 ARG 69 - QD PHE 35 far 5 93 5 - 7.3-11.1 Violated in 0 structures by 0.00 A. Peak 5597 from cnoeabs.peaks (0.31, 3.94, 64.91 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 33 + HA THR 37 OK 100 100 100 100 4.2-4.9 4285/3.2=86...(10) 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 4 assignments used, quality = 0.00: HA ARG 69 - QG2 THR 37 poor 19 97 20 - 6.3-7.9 HA VAL 65 - QG2 THR 37 far 14 96 15 - 5.8-7.9 HA ILE 40 - QG2 THR 37 far 9 93 10 - 6.5-7.4 HD3 PRO 14 - QG2 THR 37 far 0 100 0 - 9.5-22.9 Violated in 20 structures by 0.75 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 3.5-4.9 5605=98, 913/3.6=91...(8) H LEU 64 - HA THR 37 far 0 63 0 - 9.7-11.4 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 4.3-5.8 4657/3.0=85, 4318/4.1=73...(15) Violated in 2 structures by 0.01 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 3.5-5.3 4372=100, 5631/3.6=76...(9) H LEU 51 - HA ILE 40 far 0 97 0 - 7.0-8.3 Violated in 1 structures by 0.01 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 4.3-5.7 4323/2.1=91, 5120/3.0=82...(30) Violated in 6 structures by 0.10 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 4.7-5.9 5128/2.1=86, 2.2/5612=76...(28) QD TYR 81 - HB ILE 40 far 0 73 0 - 9.6-20.9 Violated in 10 structures by 0.22 A. Peak 5614 from cnoeabs.peaks (6.95, 2.12, 38.15 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: HZ PHE 48 + HB ILE 40 OK 100 100 100 100 5.3-6.9 2.2/5612=85, ~4323=78...(22) QE PHE 35 + HB ILE 40 OK 100 100 100 100 4.5-5.9 2.2/5615=79, ~4318=58...(33) HZ PHE 35 - HB ILE 40 far 15 100 15 - 6.8-8.0 HD22 ASN 42 - HB ILE 40 far 15 98 15 - 5.9-8.0 Violated in 0 structures by 0.00 A. Peak 5615 from cnoeabs.peaks (6.65, 2.12, 38.15 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB ILE 40 OK 100 100 100 100 4.5-6.2 4318/3.2=85, 4320/2.9=77...(21) Violated in 3 structures by 0.06 A. Peak 5616 from cnoeabs.peaks (8.42, 0.93, 18.82 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.92: H ILE 68 + QG2 ILE 40 OK 92 93 100 99 3.5-5.4 5622/1942=49, 755=40...(17) H ALA 20 - QG2 ILE 40 far 0 60 0 - 8.3-18.6 Violated in 5 structures by 0.08 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 3.6-5.8 4323/3.2=86, 4611/2.1=85...(25) Violated in 3 structures by 0.06 A. Peak 5618 from cnoeabs.peaks (7.06, 1.90, 28.19 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 48 + HG12 ILE 40 OK 98 98 100 100 4.2-5.8 5619/2.1=86, 2.2/5617=85...(24) Violated in 3 structures by 0.02 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 4.3-5.3 2.2/4611=86...(26) QD TYR 81 - QD1 ILE 40 far 0 83 0 - 10.0-19.5 Violated in 4 structures by 0.01 A. Peak 5620 from cnoeabs.peaks (7.14, 1.23, 28.19 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 48 + HG13 ILE 40 OK 97 97 100 100 2.0-4.6 4323/3.2=87, 4611/2.1=85...(24) Violated in 0 structures by 0.00 A. Peak 5621 from cnoeabs.peaks (7.62, 1.23, 28.19 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: H VAL 41 + HG13 ILE 40 OK 100 100 100 100 4.8-5.0 139/2.9=98, 143/2.1=93...(12) HD21 ASN 42 - HG13 ILE 40 far 0 100 0 - 8.0-10.0 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 3.7-5.4 4.0/5249=91...(16) H ALA 20 - QD1 ILE 40 far 0 60 0 - 7.4-16.4 H GLY 18 - QD1 ILE 40 far 0 83 0 - 9.2-18.2 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 2.7-4.4 5626/2.1=89, 5402=53...(18) HA GLN 79 - QG2 VAL 41 far 0 81 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 5626 from cnoeabs.peaks (4.17, 0.80, 21.38 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: HA LYS 73 + QG1 VAL 41 OK 100 100 100 100 1.9-3.9 5403=85, 5625/2.1=59...(18) HA GLN 79 - QG1 VAL 41 far 0 71 0 - 7.1-18.6 HA ARG 82 - QG1 VAL 41 far 0 100 0 - 9.7-19.0 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 4.7-5.4 915/3.9=84, 4330/2.1=68...(11) Violated in 5 structures by 0.01 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 2.4-3.7 4367/2.1=95, 1.7/4906=94...(15) QE PHE 35 - HB VAL 41 far 0 99 0 - 8.9-10.1 HZ PHE 48 - HB VAL 41 far 0 97 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (7.97, 3.58, 65.23 ppm; 5.34 A): 4 out of 5 assignments used, quality = 1.00: H ARG 69 + HA VAL 41 OK 98 98 100 99 4.9-6.7 4.7/5253=61, 4.7/4342=60...(14) H LYS 73 + HA VAL 41 OK 74 76 100 98 3.7-6.5 ~5626=46, ~5403=44...(16) H GLY 72 + HA VAL 41 OK 66 89 75 100 5.4-8.5 ~4335=49, ~4338=49...(19) H ARG 70 + HA VAL 41 OK 59 81 80 92 5.9-7.6 5829/5254=49...(9) H VAL 76 - HA VAL 41 far 0 93 0 - 7.4-14.4 Violated in 2 structures by 0.02 A. Peak 5630 from cnoeabs.peaks (7.52, 3.58, 65.23 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: H LEU 43 + HA VAL 41 OK 100 100 100 100 3.5-5.4 149/3.6=95, 5631/3.0=92...(4) 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 3.6-5.0 4460/2.1=92, 3.0/4468=91...(23) H ASP 46 - QD1 LEU 43 far 0 100 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 5638 from cnoeabs.peaks (8.77, 0.94, 22.80 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: H PHE 48 + QD2 LEU 43 OK 99 99 100 100 3.0-5.3 4460=99, 4461/2.1=86...(21) H ASP 46 + QD2 LEU 43 OK 53 100 60 89 5.9-7.1 919/4918=36, 4369/3.1=31...(8) Violated in 2 structures by 0.02 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 3.2-5.4 4370/3.1=85, 2.5/4472=82...(17) QD TYR 81 - HB3 LEU 43 far 5 100 5 - 6.5-24.5 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 3.3-5.6 4520/2.1=98, 4916/2.1=79...(10) QD2 LEU 51 - HG2 PRO 14 far 3 62 5 - 6.1-23.3 QD2 LEU 51 - HG3 PRO 14 far 0 62 0 - 7.2-23.0 Violated in 3 structures by 0.03 A. Peak 5642 from cnoeabs.peaks (0.95, 2.14, 27.95 ppm; 5.18 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + HG3 PRO 44 OK 100 100 100 100 3.8-5.0 4388/2.3=99, 4401/2.3=84...(16) QG2 VAL 76 - HG3 PRO 44 far 0 68 0 - 8.0-20.1 QG1 VAL 76 - HG3 PRO 44 far 0 68 0 - 8.2-18.6 QG2 ILE 40 - HG3 PRO 44 far 0 89 0 - 9.0-10.5 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 3.5-4.9 4388/2.3=95, 5642/1.8=84...(20) QG1 VAL 45 + HG2 PRO 44 OK 62 63 100 99 5.0-5.4 5215/2.3=63, 5654/3.8=45...(14) QG2 ILE 40 - HG2 PRO 44 far 0 63 0 - 8.1-9.6 QG2 VAL 41 - HG2 PRO 44 far 0 76 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 5644 from cnoeabs.peaks (2.66, 3.67, 50.94 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 47 + HD3 PRO 44 OK 99 99 100 100 2.1-4.7 4435=99, 1.8/4397=82...(19) HB3 ASN 49 - HD3 PRO 44 far 0 85 0 - 9.2-11.6 Violated in 2 structures by 0.01 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 2.0-4.8 5644/1.8=89, 1.8/4396=84...(17) HB3 ASN 49 - HD2 PRO 44 far 0 78 0 - 9.9-11.7 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 4.6-4.9 4.8=100 H LEU 51 - HD2 PRO 44 far 0 100 0 - 7.1-9.4 Violated in 0 structures by 0.00 A. Peak 5647 from cnoeabs.peaks (7.51, 3.67, 50.94 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.97: H LEU 43 + HD3 PRO 44 OK 97 97 100 100 4.7-5.0 4.8=100 H LEU 51 - HD3 PRO 44 poor 16 78 35 57 7.1-9.4 2030/4405=32...(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 1 assignment 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) Violated in 0 structures by 0.00 A. Peak 5649 from cnoeabs.peaks (4.53, 2.05, 27.95 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 43 + HG2 PRO 44 OK 99 99 100 100 4.2-4.5 4374/2.3=96, 4373/2.3=94...(11) 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 5.0-5.1 155/629=80, 5654/2.1=71...(9) Violated in 20 structures by 0.29 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 3.9-5.3 2.2/4421=91, 4.4/4409=55...(8) Violated in 2 structures by 0.02 A. Peak 5653 from cnoeabs.peaks (7.27, 1.07, 22.09 ppm; 5.76 A): 1 out of 2 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) H ILE 40 - QG2 VAL 45 far 0 60 0 - 9.4-10.9 Violated in 9 structures by 0.14 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...(10) Violated in 20 structures by 0.11 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 4.7-5.4 4421/2.1=93, 4418/3.2=71...(17) QD TYR 81 - QG1 VAL 45 far 5 100 5 - 3.0-22.1 Violated in 2 structures by 0.01 A. Peak 5659 from cnoeabs.peaks (8.65, 4.39, 56.46 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.99: H ASN 49 + HA ASP 47 OK 99 100 100 99 4.3-5.2 922/4506=78, 4491/3.0=71...(7) H VAL 45 - HA ASP 47 far 0 68 0 - 7.0-7.4 Violated in 4 structures by 0.04 A. Peak 5661 from cnoeabs.peaks (4.50, 2.67, 40.94 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.96: HA ASP 46 + HB2 ASP 47 OK 91 98 95 97 5.5-6.6 3.6/637=86, 3.0/3842=37...(7) HA LEU 43 + HB2 ASP 47 OK 57 57 100 100 3.2-5.2 3.0/4442=74, 4.1/4907=73...(10) Violated in 0 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 4.2-6.0 2.1/4450=80, 4914/3.0=79...(19) Violated in 5 structures by 0.12 A. Peak 5665 from cnoeabs.peaks (3.68, 4.03, 60.97 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.97: HA VAL 45 + HA PHE 48 OK 90 90 100 100 5.2-5.9 4407/3.0=81, 4418/3.7=65...(20) HD3 PRO 44 + HA PHE 48 OK 69 99 70 100 5.0-7.4 4405/4468=64...(20) Violated in 2 structures by 0.01 A. Peak 5673 from cnoeabs.peaks (7.25, 2.04, 29.07 ppm; 5.78 A): 4 out of 7 assignments used, quality = 0.99: H ASP 47 + HB2 GLU 50 OK 83 83 100 100 4.7-7.0 6130/3.9=61, ~4511=54...(15) H ASP 47 + HB3 GLU 50 OK 78 83 95 99 5.3-7.4 6130/3.9=61, ~4511=54...(9) H ALA 53 + HB3 GLU 50 OK 63 63 100 100 5.0-5.4 ~4962=67, ~4502=64...(14) H ALA 53 + HB2 GLU 50 OK 63 63 100 100 4.9-5.9 ~4962=67, ~4502=64...(13) HE ARG 54 - HB3 GLU 50 lone 16 89 100 18 2.8-7.0 4943/4.7=9, 7.4/3852=7 HE ARG 54 - HB2 GLU 50 lone 7 89 70 12 3.8-8.3 4943/4.7=9 H ILE 40 - HB3 GLU 25 far 0 73 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 5674 from cnoeabs.peaks (7.22, 3.89, 57.93 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: H ALA 53 + HA LEU 51 OK 100 100 100 100 4.1-4.6 200/3.6=89, 207/4567=79...(15) H ILE 40 - HA LEU 51 far 0 85 0 - 9.4-11.0 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 = 1.00: H ALA 53 + HB2 LEU 51 OK 99 100 100 99 4.6-6.2 200/4.6=73, 5674/3.0=65...(12) H ALA 53 + HB2 LEU 52 OK 60 60 100 100 3.5-4.1 4.6=100 H ILE 40 - HB2 LEU 51 far 0 63 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 5676 from cnoeabs.peaks (7.71, 1.32, 41.26 ppm; 5.10 A): 3 out of 5 assignments used, quality = 0.98: H GLU 50 + HB2 LEU 51 OK 96 96 100 100 4.5-5.4 923/2216=86, 5670/1.8=84...(8) H TYR 55 + HB2 LEU 51 OK 38 71 60 89 5.7-7.3 5731/3.1=43, 4.4/4663=29...(8) H TYR 55 + HB2 LEU 52 OK 32 36 100 89 5.0-5.8 4581/3.0=59, 4973/4.6=42...(7) H GLU 50 - HB2 LEU 52 far 0 54 0 - 6.8-7.5 H ASN 42 - HB2 LEU 51 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (7.71, 1.60, 41.26 ppm; 5.33 A): 2 out of 3 assignments used, quality = 0.98: H GLU 50 + HB3 LEU 51 OK 97 97 100 100 4.3-4.9 5670=97, 923/660=93...(7) H TYR 55 + HB3 LEU 51 OK 44 68 95 69 5.7-7.0 5731/3.1=45...(3) H ASN 42 - HB3 LEU 51 far 0 100 0 - 8.9-10.3 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 6 assignments used, quality = 1.00: HB3 GLU 50 + HA LEU 51 OK 100 100 100 100 4.1-5.4 3.9/4944=55, 190/3.0=47...(16) HB2 GLU 50 + HA LEU 51 OK 100 100 100 100 4.2-5.1 3.9/4944=55, 189/3.0=48...(15) HG2 PRO 44 - HA LEU 51 far 0 99 0 - 9.0-10.3 HD2 ARG 69 - HA LEU 51 far 0 97 0 - 9.6-14.7 HD3 ARG 69 - HA LEU 51 far 0 97 0 - 9.7-14.3 HG2 PRO 56 - HA LEU 51 far 0 100 0 - 9.8-12.0 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 = 0.99: HA ILE 40 + QD2 LEU 51 OK 97 97 100 100 2.7-4.1 3.2/4301=67...(17) HA VAL 65 + QD2 LEU 51 OK 56 99 60 95 6.2-7.3 3.2/6104=64...(10) HA ARG 69 - QD2 LEU 51 far 0 99 0 - 7.4-9.1 HD3 PRO 14 - QD2 LEU 51 far 0 99 0 - 7.6-24.7 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 = 0.99: HA PHE 35 + QD1 LEU 51 OK 99 100 100 99 4.6-6.2 3.7/4534=71, 3.0/5353=64...(12) Violated in 17 structures by 0.63 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 3.1-4.5 197=99, 196/3.0=87...(12) HE21 GLN 61 - HG LEU 51 far 0 81 0 - 9.3-11.2 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 3.5-4.8 4665=100, 2.2/4648=96...(26) 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 = 1.00: QD PHE 48 + QD1 LEU 51 OK 100 100 100 100 4.6-5.4 4527/2.1=89, 3.7/4469=60...(16) QD TYR 81 - QD1 LEU 51 far 0 90 0 - 8.7-22.8 Violated in 10 structures by 0.05 A. Peak 5690 from cnoeabs.peaks (7.54, 1.20, 26.33 ppm; 5.20 A): 2 out of 4 assignments used, quality = 1.00: H LEU 51 + HG LEU 52 OK 100 100 100 100 3.8-4.7 924/668=93, 4495/4485=62...(10) H ARG 54 + HG LEU 52 OK 99 100 100 99 5.6-6.0 207/204=78, 4966/3.7=71...(7) HD21 ASN 80 - HG LEU 52 far 0 97 0 - 7.4-27.4 H LEU 43 - HG LEU 52 far 0 93 0 - 9.0-10.7 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 3 assignments used, quality = 1.00: H ARG 54 + HB3 LEU 52 OK 100 100 100 100 4.6-4.9 207/203=95, 4966/3.0=87...(7) H LEU 51 + HB3 LEU 52 OK 100 100 100 100 4.7-5.4 924/667=96, 4495/4483=72...(8) HD21 ASN 80 - HB3 LEU 52 far 0 85 0 - 7.5-29.8 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 = 1.00: QE PHE 35 + HG LEU 52 OK 97 97 100 100 3.6-6.3 4581/2.1=96, 4582/2.1=89...(14) HZ PHE 35 + HG LEU 52 OK 96 97 100 100 2.3-6.2 ~4581=75, ~4582=66...(11) HZ PHE 48 + HG LEU 52 OK 94 95 100 100 3.8-5.0 ~4538=74, ~4540=73...(11) 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 3.6-5.5 5695/2.1=87...(8) HA PHE 48 + QD1 LEU 52 OK 65 65 100 99 4.2-5.8 3.7/4959=78, 3.6/5668=62...(7) HA ARG 54 - QD1 LEU 52 far 0 99 0 - 8.1-8.7 HA ARG 70 - QD1 LEU 52 far 0 100 0 - 8.2-10.8 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 = 0.77: HA ARG 66 + QD2 LEU 52 OK 77 81 100 96 4.3-6.0 5244/4726=61...(6) HA ARG 54 - QD2 LEU 52 far 0 97 0 - 7.2-8.1 HA ARG 70 - QD2 LEU 52 far 0 100 0 - 9.0-11.4 Violated in 11 structures by 0.24 A. Peak 5699 from cnoeabs.peaks (2.04, 1.39, 18.28 ppm; 4.04 A): 2 out of 13 assignments used, quality = 1.00: HB3 GLU 50 + QB ALA 53 OK 97 100 100 97 3.9-4.9 3.0/4962=73, 3.0/4938=37...(11) HB2 GLU 50 + QB ALA 53 OK 87 100 90 97 3.9-5.7 3.0/4962=73, 3.0/4938=37...(10) HB VAL 76 - QB ALA 78 poor 17 57 30 - 2.7-8.0 HD2 ARG 69 - QB ALA 78 far 3 56 5 - 4.8-18.7 HD3 ARG 69 - QB ALA 78 far 0 56 0 - 6.2-17.3 HB3 GLU 19 - QB ALA 78 far 0 59 0 - 6.4-29.1 HB VAL 45 - QB ALA 78 far 0 31 0 - 6.9-20.9 HG2 ARG 66 - QB ALA 78 far 0 30 0 - 7.1-22.8 HB3 PRO 56 - QB ALA 53 far 0 99 0 - 8.1-9.6 HB2 GLU 25 - QB ALA 78 far 0 49 0 - 8.3-23.2 HG2 ARG 66 - QB ALA 53 far 0 63 0 - 8.6-12.5 HG2 PRO 56 - QB ALA 53 far 0 100 0 - 8.6-9.9 HB3 GLU 25 - QB ALA 78 far 0 47 0 - 9.4-23.3 Violated in 17 structures by 0.20 A. Peak 5702 from cnoeabs.peaks (7.41, 4.16, 52.94 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.79: H LEU 52 + HA ALA 53 OK 79 83 100 96 5.0-5.4 200/3.0=80, 193/3.6=35...(7) Violated in 17 structures by 0.09 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 2.2-5.0 4.8=100 Violated in 0 structures by 0.00 A. Peak 5706 from cnoeabs.peaks (7.68, 1.58, 27.15 ppm; 5.19 A): 2 out of 4 assignments used, quality = 1.00: H TYR 55 + HG3 ARG 54 OK 99 99 100 100 3.1-4.9 4.8=100 H GLN 61 + HG LEU 62 OK 80 90 90 99 4.0-6.8 932/5.0=68, 5777/3.0=64...(9) H TYR 55 - HG LEU 62 far 4 88 5 - 6.5-9.0 H MET 31 - HG LEU 86 far 0 44 0 - 8.3-50.4 Violated in 0 structures by 0.00 A. Peak 5707 from cnoeabs.peaks (6.65, 1.76, 30.94 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.87: QD PHE 35 + HB2 ARG 54 OK 74 100 80 92 4.7-9.7 4601/4561=41...(10) QD PHE 35 + HB2 PRO 34 OK 51 51 100 100 2.7-4.6 4243/2.3=86, 4649/3.0=78...(30) QD PHE 35 - HB3 ARG 17 far 0 49 0 - 6.9-21.9 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 = 0.82: QD2 LEU 51 + HD2 ARG 54 OK 69 99 70 99 4.9-7.6 2.1/4573=50, ~4573=42...(12) QD2 LEU 51 + HD3 ARG 54 OK 44 99 45 99 6.1-8.0 2.1/4573=50, ~4519=46...(11) Violated in 18 structures by 0.60 A. Peak 5710 from cnoeabs.peaks (6.81, 6.81, 117.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QE TYR 55 OK 100 100 - 100 QE TYR 81 + QE TYR 81 OK 28 28 - 100 Peak 5711 from cnoeabs.peaks (7.33, 6.81, 117.91 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.94: * QD TYR 55 + QE TYR 55 OK 94 94 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5712 from cnoeabs.peaks (6.65, 6.81, 117.91 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 35 + QE TYR 55 OK 100 100 100 100 2.0-4.1 4601/2.2=84...(27) QD PHE 35 - QE TYR 81 far 0 58 0 - 9.9-24.2 Violated in 0 structures by 0.00 A. Peak 5714 from cnoeabs.peaks (6.82, 2.80, 40.22 ppm; 5.28 A): 2 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 OK 36 97 55 67 5.9-9.4 4672/4587=32...(5) 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 2.9-5.2 5716/1.8=98, 4601/2.5=97...(16) 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 3.5-5.1 4601/2.5=80, ~4572=51...(19) Violated in 14 structures by 0.26 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 = 0.99: HD3 ARG 54 + QE TYR 55 OK 93 94 100 100 2.2-5.8 3.6/4644=63, 4565=50...(15) HD2 ARG 54 + QE TYR 55 OK 85 95 90 100 2.1-6.0 3.6/4644=63, 4565=45...(15) HB2 TYR 81 + QE TYR 81 OK 45 45 100 98 4.4-4.5 4.4=94, ~4674=47...(6) 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 5 assignments used, quality = 1.00: HA LEU 51 + QE TYR 55 OK 100 100 100 100 3.5-4.3 2245/4533=91...(14) HD2 PRO 36 - QE TYR 55 poor 19 82 30 77 5.6-7.9 5578/5712=43...(7) HB3 SER 22 - QE TYR 81 far 3 57 5 - 2.3-25.6 HA ILE 33 - QE TYR 55 far 0 100 0 - 6.7-8.9 HD2 PRO 36 - QE TYR 81 far 0 41 0 - 9.7-29.1 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 4.3-4.8 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 8 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 2.6-4.9 2.6/5712=80, ~4601=59...(12) HE3 LYS 73 - QE TYR 81 far 2 43 5 - 4.3-18.8 HE2 LYS 73 - QE TYR 81 far 2 41 5 - 3.1-18.9 HE2 LYS 75 - QE TYR 81 far 0 29 0 - 6.4-19.8 HE3 LYS 75 - QE TYR 81 far 0 31 0 - 7.7-19.0 HE3 LYS 32 - QE TYR 55 far 0 80 0 - 8.9-14.6 HE2 LYS 32 - QE TYR 55 far 0 82 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. Peak 5722 from cnoeabs.peaks (2.80, 6.81, 117.91 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: HB2 TYR 55 + QE TYR 55 OK 100 100 100 100 4.4-4.5 4.4=100 HB3 ASN 74 - QE TYR 81 far 0 37 0 - 8.9-16.8 HB2 ASN 74 - QE TYR 81 far 0 55 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 5723 from cnoeabs.peaks (1.77, 6.81, 117.91 ppm; 4.18 A): 4 out of 17 assignments used, quality = 1.00: HB2 PRO 34 + QE TYR 55 OK 97 97 100 100 2.0-5.2 1.8/4667=68, 2.3/4664=63...(21) HB2 ARG 54 + QE TYR 55 OK 94 99 95 100 2.8-5.8 1.8/4644=85, ~4634=54...(22) HG2 PRO 34 + QE TYR 55 OK 77 97 80 100 4.1-6.0 1.8/4664=70, 2.3/4667=62...(23) HB3 ARG 82 + QE TYR 81 OK 24 57 45 92 2.8-6.8 4683/2.2=63, 5887/4.4=38...(8) HB2 LYS 83 - QE TYR 81 far 5 51 10 - 5.0-10.9 HB3 LYS 39 - QE TYR 55 far 0 94 0 - 6.1-9.3 HB2 LYS 13 - QE TYR 55 far 0 82 0 - 6.9-29.6 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 7.3-9.9 HB3 LYS 73 - QE TYR 81 far 0 55 0 - 7.3-16.6 HB ILE 33 - QE TYR 55 far 0 100 0 - 7.5-9.6 HB3 LYS 75 - QE TYR 81 far 0 44 0 - 7.6-17.0 HG3 ARG 26 - QE TYR 81 far 0 40 0 - 7.8-28.2 HB3 LYS 39 - QE TYR 81 far 0 50 0 - 7.9-25.6 HG3 ARG 71 - QE TYR 81 far 0 44 0 - 8.5-20.6 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.4-11.5 HB2 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.9 HB3 ARG 17 - QE TYR 55 far 0 67 0 - 9.8-26.8 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (1.56, 6.81, 117.91 ppm; 4.62 A): 3 out of 13 assignments used, quality = 0.99: HG3 ARG 54 + QE TYR 55 OK 90 95 95 100 3.9-6.1 1.8/4969=59, 5950/2.2=53...(19) HB3 ARG 54 + QE TYR 55 OK 89 89 100 100 2.8-5.3 4634/2.2=70, 4970=59...(20) HG2 LYS 39 + QE TYR 55 OK 26 89 35 82 4.9-8.3 6087/4648=39...(8) HD3 LYS 39 - QE TYR 55 poor 19 86 40 54 4.7-7.7 6085/5728=18...(8) HD2 LYS 39 - QE TYR 55 poor 17 84 20 - 5.2-8.0 HG3 ARG 84 - QE TYR 81 far 4 28 15 - 5.1-14.0 HG2 ARG 84 - QE TYR 81 far 3 28 10 - 5.5-12.6 HD2 LYS 39 - QE TYR 81 far 0 43 0 - 6.8-26.6 HG2 LYS 39 - QE TYR 81 far 0 47 0 - 7.7-25.5 HG3 ARG 23 - QE TYR 81 far 0 37 0 - 7.9-28.1 HD3 LYS 39 - QE TYR 81 far 0 44 0 - 8.0-27.0 HB3 LEU 86 - QE TYR 81 far 0 58 0 - 8.0-19.3 HG LEU 62 - QE TYR 55 far 0 100 0 - 9.3-11.8 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 6 assignments used, quality = 1.00: HG2 ARG 54 + QE TYR 55 OK 100 100 100 100 3.1-5.3 3.0/4644=87, 4969=83...(20) HB2 LEU 51 + QE TYR 55 OK 89 89 100 100 4.3-6.1 3.1/4647=90, 3.0/4646=85...(16) QB ALA 12 - QE TYR 55 far 0 65 0 - 9.0-26.8 QG2 THR 58 - QE TYR 55 far 0 99 0 - 9.1-11.0 HB2 LEU 51 - QE TYR 81 far 0 47 0 - 9.9-26.9 HG2 LYS 32 - QE TYR 55 far 0 77 0 - 9.9-13.4 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 12 assignments used, quality = 0.96: HG LEU 51 + QE TYR 55 OK 96 96 100 100 2.0-4.3 2.1/4647=98, 2.1/4648=92...(15) QG2 VAL 76 - QE TYR 81 poor 18 44 40 - 2.4-11.0 QG1 VAL 76 - QE TYR 81 poor 13 44 30 - 2.2-11.8 QG2 ILE 40 - QE TYR 55 far 0 65 0 - 7.6-9.5 QD1 LEU 86 - QE TYR 81 far 0 48 0 - 7.6-17.3 QD2 LEU 62 - QE TYR 55 far 0 65 0 - 7.8-11.3 QD1 LEU 62 - QE TYR 55 far 0 59 0 - 8.2-11.3 QG2 ILE 40 - QE TYR 81 far 0 31 0 - 8.6-17.4 QD2 LEU 62 - QE TYR 81 far 0 31 0 - 9.0-22.7 QD1 LEU 62 - QE TYR 81 far 0 28 0 - 9.3-24.5 QD1 LEU 29 - QE TYR 81 far 0 37 0 - 9.6-26.4 QD1 LEU 86 - QE TYR 55 far 0 91 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 5727 from cnoeabs.peaks (0.63, 6.81, 117.91 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + QE TYR 55 OK 100 100 100 100 1.9-3.5 4533=99, 2.1/4646=60...(22) QD1 LEU 51 - QE TYR 81 far 0 57 0 - 7.2-22.7 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 3.2-4.4 2.1/4647=95, 2.1/4646=88...(23) QD2 LEU 51 - QE TYR 81 far 0 48 0 - 8.4-21.2 Violated in 0 structures by 0.00 A. Peak 5735 from cnoeabs.peaks (8.15, 3.70, 50.06 ppm; 5.51 A): 2 out of 2 assignments used, quality = 1.00: H LEU 57 + HD2 PRO 56 OK 100 100 100 100 3.0-5.5 218/3.6=97, 220/3.0=72...(9) H LEU 57 + HD3 PRO 56 OK 100 100 100 100 4.1-5.5 218/3.6=97, 220/3.0=72...(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 4.6-5.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 5738 from cnoeabs.peaks (8.83, 0.71, 23.03 ppm; 5.62 A): 1 out of 2 assignments used, quality = 1.00: H LEU 62 + QD2 LEU 57 OK 100 100 100 100 3.9-5.6 5739/2.1=80, 248/4602=79...(20) H THR 37 - QD2 LEU 57 far 0 93 0 - 8.4-10.4 Violated in 1 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 4.1-5.2 3.0/6069=94, 5738/2.1=78...(14) H THR 37 - QD1 LEU 57 far 0 97 0 - 8.7-10.8 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 4.0-5.1 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 3.7-5.9 5730/2.1=89, 5733/2.1=85...(12) H GLN 61 + QD2 LEU 57 OK 99 99 100 100 4.5-6.1 4.0/4985=77, 711/4602=77...(18) H MET 31 - QD2 LEU 57 far 0 85 0 - 7.4-9.5 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 3.7-4.8 4629/4636=75, ~4688=63...(26) 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 2.6-4.1 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 3.4-5.2 5771=98, 4602/2.1=91...(21) HG3 MET 31 - QD1 LEU 57 far 0 99 0 - 7.3-10.5 Violated in 0 structures by 0.00 A. Peak 5750 from cnoeabs.peaks (1.33, 0.71, 23.03 ppm; 4.88 A): 3 out of 6 assignments used, quality = 1.00: HB2 LEU 52 + QD2 LEU 57 OK 99 99 100 100 4.2-6.1 3.1/5751=64, 4986/2.1=61...(21) QG2 THR 58 + QD2 LEU 57 OK 86 90 100 95 4.2-5.4 2478/3888=66...(9) QB ALA 28 + QD2 LEU 57 OK 22 97 30 76 5.5-7.9 5195/4612=57...(6) HG3 LYS 32 - QD2 LEU 57 far 5 100 5 - 6.2-9.5 HB2 LEU 51 - QD2 LEU 57 far 5 99 5 - 6.0-8.8 HG2 ARG 54 - QD2 LEU 57 far 0 78 0 - 6.9-9.7 Violated in 0 structures by 0.00 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 3.2-4.5 4613/2.1=96, ~4552=57...(22) Violated in 0 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 = 0.99: HE21 GLN 61 + QG2 THR 58 OK 99 100 100 99 3.3-6.7 3.5/5230=76, 4.6/4627=63...(8) Violated in 5 structures by 0.17 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 4.6-5.2 4995/3.0=92, ~4647=44...(7) QB ALA 63 + HB2 SER 60 OK 99 100 100 99 4.9-5.7 4995/3.0=92, ~4647=44...(7) HB3 LEU 57 - HB2 SER 60 far 4 89 5 - 6.5-8.1 HB3 LEU 57 - HB3 SER 60 far 0 89 0 - 7.6-9.2 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 4.7-5.2 4625/3.0=91, 4624/3.0=85...(13) Violated in 0 structures by 0.00 A. Peak 5758 from cnoeabs.peaks (8.37, 3.96, 59.26 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.96: H VAL 65 + HA GLN 61 OK 96 97 100 100 3.4-4.5 264/4687=78, 4674/4.7=63...(14) 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 1.9-4.0 4.6=100 H LEU 52 - HB3 GLN 61 far 0 78 0 - 9.7-11.4 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 - 6.9-10.2 HB3 PRO 56 - HB2 GLN 61 far 0 98 0 - 7.5-9.3 HG2 ARG 66 - HB2 GLN 61 far 0 96 0 - 8.0-10.0 Violated in 20 structures by 2.02 A. Peak 5767 from cnoeabs.peaks (1.31, 2.16, 34.98 ppm; 5.87 A): 3 out of 4 assignments used, quality = 1.00: QG2 THR 58 + HG3 GLN 61 OK 100 100 100 100 2.6-5.6 5230/1.8=99, 4627/3.0=90...(10) HG3 LYS 32 + HG3 GLN 61 OK 54 81 80 84 4.1-8.6 ~6065=28, 4671/3.5=21...(11) HG2 LYS 32 + HG3 GLN 61 OK 46 73 75 83 4.9-7.9 ~6065=28, 4664/1.8=22...(10) HB2 LEU 52 - HG3 GLN 61 far 0 63 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 5768 from cnoeabs.peaks (1.31, 2.53, 30.35 ppm; 5.31 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 58 + HB2 GLN 61 OK 100 100 100 100 2.2-4.7 4627=97, 2478/4625=90...(11) HB2 LEU 52 - HB2 GLN 61 far 11 73 15 - 6.8-9.1 QB ALA 28 - HB2 GLN 61 far 3 65 5 - 6.8-9.3 HG3 LYS 32 - HB2 GLN 61 far 0 89 0 - 6.9-11.0 HG2 LYS 32 - HB2 GLN 61 far 0 63 0 - 7.1-10.1 Violated in 0 structures by 0.00 A. Peak 5770 from cnoeabs.peaks (0.98, 1.66, 30.35 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 57 + HB3 GLN 61 OK 90 90 100 100 3.3-5.0 2.1/4985=92, 5771/1.8=79...(21) QD1 LEU 64 + HB3 GLN 61 OK 52 71 75 97 5.0-7.0 ~4504=42, 2.1/5161=37...(13) 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 3.4-5.2 2.1/4602=91, 5749=81...(21) 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 6 assignments used, quality = 1.00: HG13 ILE 33 + HB3 GLN 61 OK 92 97 95 100 4.1-8.0 ~4224=64, 2.1/4663=49...(14) QG2 VAL 65 + HB3 GLN 61 OK 92 100 100 92 2.6-6.1 4725/4985=39...(12) QG1 VAL 65 + HB3 GLN 61 OK 66 76 100 87 4.9-6.7 4729/4985=28...(12) HG13 ILE 40 - HB3 GLN 61 far 0 78 0 - 7.8-11.0 HG LEU 52 - HB3 GLN 61 far 0 93 0 - 8.1-10.7 QG2 THR 15 - HB3 GLN 61 far 0 87 0 - 8.6-21.4 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 6 assignments used, quality = 1.00: QG2 VAL 65 + HB2 GLN 61 OK 95 100 100 95 3.0-5.8 4725/4602=44...(11) QG1 VAL 65 + HB2 GLN 61 OK 85 92 100 92 5.3-6.4 4729/4602=38, ~5772=27...(11) HG13 ILE 33 + HB2 GLN 61 OK 70 100 70 100 4.9-8.4 ~4224=76, 2.1/4662=50...(14) HG LEU 52 - HB2 GLN 61 far 0 78 0 - 8.8-10.7 HG13 ILE 40 - HB2 GLN 61 far 0 93 0 - 8.8-11.2 QG2 THR 15 - HB2 GLN 61 far 0 68 0 - 9.7-20.8 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 4.1-4.7 932/2571=91...(9) H TYR 55 - HB2 LEU 62 far 0 100 0 - 8.2-11.2 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 99 5.3-5.8 932/2578=89, 5777/1.8=73...(8) H TYR 55 - HB3 LEU 62 far 0 92 0 - 9.2-11.9 Violated in 19 structures by 0.11 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 4.2-5.0 5796=100, 264/3.6=91...(10) 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 4.1-4.7 264/263=94, 5796/2.1=88...(12) 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 4.7-5.1 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 4.2-4.5 933/726=92, 5776/263=63...(10) Violated in 0 structures by 0.00 A. Peak 5789 from cnoeabs.peaks (8.58, 4.26, 57.87 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.98: H ARG 66 + HA LEU 64 OK 98 98 100 100 3.8-5.0 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 3.1-4.8 149/4371=63, 4354=57...(10) H GLU 50 - HA LYS 39 far 0 99 0 - 9.6-12.9 Violated in 1 structures by 0.01 A. Peak 5791 from cnoeabs.peaks (1.23, 1.70, 41.01 ppm; 5.58 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 33 + HB3 LEU 64 OK 99 99 100 100 5.7-7.0 2.1/5026=87, ~6122=72...(13) QG1 VAL 65 + HB3 LEU 64 OK 99 99 100 100 6.3-6.8 2664/3916=81, ~5032=46...(21) QG2 VAL 65 + HB3 LEU 64 OK 94 95 100 100 4.7-6.3 2669/3916=81...(21) HG13 ILE 40 - HB3 LEU 64 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5792 from cnoeabs.peaks (1.21, 1.54, 27.08 ppm; 4.20 A): 5 out of 13 assignments used, quality = 1.00: QG2 VAL 65 + HG LEU 64 OK 97 99 100 98 2.3-4.8 2669/268=46, 5965/2.1=46...(18) HG13 ILE 33 + HG LEU 64 OK 86 93 95 97 3.8-5.7 ~6122=56, 4853/2.1=36...(13) QG1 VAL 65 + HG LEU 64 OK 60 65 95 96 4.5-5.7 3.2/5032=45, 4.0/268=40...(17) QG2 VAL 65 + HG LEU 62 OK 58 63 95 97 3.5-5.8 4722/4.3=46, 5006/2.1=39...(15) QG1 VAL 65 + HG LEU 62 OK 32 36 95 95 2.5-5.9 5006/2.1=38, 4723/4.3=33...(15) HG LEU 52 - HG LEU 62 poor 12 61 20 - 4.7-7.6 HG13 ILE 40 - HG LEU 64 far 0 68 0 - 6.9-8.5 HG13 ILE 40 - HG LEU 62 far 0 37 0 - 7.6-11.2 HG13 ILE 33 - HG LEU 62 far 0 56 0 - 8.6-11.1 QG1 VAL 65 - HG2 ARG 82 far 0 58 0 - 9.0-26.4 QG2 THR 15 - HG LEU 64 far 0 93 0 - 9.1-21.9 HG LEU 52 - HG LEU 64 far 0 97 0 - 9.7-12.2 QG2 VAL 65 - HG2 ARG 82 far 0 93 0 - 9.9-28.4 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 3.0-3.7 5032=93, 4761/5242=83...(27) HA VAL 65 - HG LEU 62 poor 17 56 30 - 6.3-8.4 HA ARG 69 - HG LEU 64 far 0 96 0 - 8.2-10.5 HA ARG 69 - HG2 ARG 82 far 0 88 0 - 8.6-26.1 HA ILE 40 - HG LEU 62 far 0 54 0 - 8.9-12.8 HA ILE 40 - HG LEU 64 far 0 90 0 - 9.4-10.6 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 100 100 100 100 2.1-3.8 ~5162=56, 4173/2.1=54...(21) HA GLN 61 + QD1 LEU 64 OK 94 100 95 99 4.3-6.0 4687/2647=53...(15) HA THR 37 - QD1 LEU 64 poor 18 71 25 - 4.8-8.0 HA ARG 66 - QD1 LEU 64 far 0 90 0 - 6.2-8.0 HA2 GLY 72 - QD1 LEU 64 far 0 100 0 - 6.7-9.7 HA LYS 32 - QD1 LEU 64 far 0 90 0 - 6.8-8.7 HA3 GLY 21 - QD1 LEU 64 far 0 97 0 - 8.6-13.0 HA2 GLY 21 - QD1 LEU 64 far 0 98 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 5797 from cnoeabs.peaks (7.96, 1.23, 22.65 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.99: H ALA 63 + QG1 VAL 65 OK 88 90 100 97 4.8-6.4 3.6/4723=80...(8) H ARG 69 + QG1 VAL 65 OK 80 81 100 99 4.4-5.3 4710/3.2=69, 4.1/5964=63...(13) H ARG 70 + QG1 VAL 65 OK 56 98 65 87 5.9-6.9 5831/5964=31, 4.6/762=30...(9) H GLY 72 - QG1 VAL 65 far 0 60 0 - 7.5-9.0 H LYS 32 - QG1 VAL 65 far 0 81 0 - 9.0-11.0 H LEU 29 - QG1 VAL 65 far 0 97 0 - 9.0-11.2 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 4.1-5.2 264/736=92, 4698=89...(9) HE21 GLN 61 - HB VAL 65 lone 8 60 75 18 5.1-8.7 5.7/2183=17 H LEU 52 - HB VAL 65 far 0 100 0 - 7.1-8.8 Violated in 0 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 100 100 100 100 4.5-6.0 264/2664=86, 4698/2.1=75...(14) H LEU 52 + QG1 VAL 65 OK 91 95 100 96 5.0-6.1 670/4728=72, 669/5314=64...(6) H LYS 39 - QG1 VAL 65 far 0 73 0 - 6.9-10.6 Violated in 1 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 2.4-4.7 280/1.8=95, 937/744=84...(18) H ARG 70 - HG3 ARG 66 poor 10 83 25 47 5.1-8.3 3924/2707=29...(5) Violated in 0 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 4.1-4.9 937/749=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 4.7-5.6 937/750=95, 5800/1.8=91...(6) Violated in 2 structures by 0.00 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 5.1-5.4 630/4417=61, 629/4416=44...(6) H ARG 66 + HA ASP 67 OK 76 81 100 94 5.0-5.4 937/3.0=68, 5800/3.0=45...(8) Violated in 18 structures by 0.08 A. Peak 5815 from cnoeabs.peaks (8.10, 3.51, 65.41 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: H ARG 71 + HA ILE 68 OK 100 100 100 100 3.0-4.6 15389=100, 5825/3.6=62...(15) H LYS 75 - HA ILE 68 far 0 96 0 - 6.2-12.5 H ARG 26 - HA ILE 68 far 0 63 0 - 9.1-11.4 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 6 assignments used, quality = 1.00: H ARG 69 + HG12 ILE 68 OK 100 100 100 100 3.8-5.4 5.0=100 H GLY 72 + HG12 ILE 68 OK 93 99 95 99 4.6-6.9 5845/2764=66...(16) H LYS 73 - HG12 ILE 68 poor 19 96 20 - 6.3-9.1 H ALA 63 - HG12 ILE 68 far 0 99 0 - 8.3-11.1 H VAL 76 - HG12 ILE 68 far 0 71 0 - 8.7-18.1 H ALA 30 - HG12 ILE 68 far 0 100 0 - 8.8-10.9 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 6 assignments used, quality = 0.97: H ARG 70 + HG13 ILE 68 OK 85 100 90 94 6.0-7.0 5826/2770=63, 940/5.0=55...(7) H ASP 67 + HG13 ILE 68 OK 80 81 100 99 3.7-5.9 4.6/2770=69, 3.9/5975=53...(16) H LEU 29 - HG13 ILE 68 far 0 100 0 - 7.0-9.5 H ALA 63 - HG13 ILE 68 far 0 68 0 - 8.1-10.2 H LYS 32 - HG13 ILE 68 far 0 97 0 - 9.2-12.0 H VAL 76 - HG13 ILE 68 far 0 99 0 - 9.8-18.6 Violated in 2 structures by 0.02 A. Peak 5821 from cnoeabs.peaks (0.81, 1.39, 29.46 ppm; 5.06 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HB3 ARG 69 OK 99 100 100 99 3.8-5.8 4.1/2800=56, ~4748=52...(22) QG1 VAL 41 + HB3 ARG 69 OK 97 97 100 100 2.3-6.5 4903/3.0=76, 2.1/4774=45...(26) QD1 ILE 68 + HB3 ARG 69 OK 27 68 45 88 6.1-7.2 294/4.0=31, ~4767=24...(14) QD1 LEU 43 - HB3 ARG 69 far 4 76 5 - 6.5-9.9 Violated in 2 structures by 0.01 A. Peak 5822 from cnoeabs.peaks (1.92, 3.63, 59.20 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.99: HB VAL 41 + HA ARG 69 OK 95 97 100 97 4.2-5.8 2.1/5130=44, 2.1/4767=44...(18) HB ILE 68 + HA ARG 69 OK 75 76 100 99 4.1-4.6 2.1/4767=44, 290/2.9=41...(23) HG12 ILE 40 - HA ARG 69 far 14 92 15 - 5.6-8.0 HG13 ILE 68 - HA ARG 69 far 0 100 0 - 6.2-6.6 HB3 ARG 66 - HA ARG 69 far 0 78 0 - 7.1-8.6 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 96 2.8-6.2 2.2/4789=41, ~4784=36...(15) QD PHE 48 + HD3 ARG 69 OK 96 100 100 96 2.2-6.2 2.2/4789=39, ~4784=36...(15) QD TYR 81 - HD2 ARG 69 far 5 92 5 - 5.7-20.6 QD TYR 81 - HD3 ARG 69 far 0 92 0 - 6.6-20.7 Violated in 1 structures by 0.04 A. Peak 5824 from cnoeabs.peaks (7.97, 2.03, 42.48 ppm; 4.97 A): 4 out of 10 assignments used, quality = 1.00: H ARG 69 + HD3 ARG 69 OK 96 96 100 100 4.2-5.9 760/3.9=76, 2800/3.9=52...(18) H ARG 69 + HD2 ARG 69 OK 96 96 100 100 4.5-5.8 760/3.9=76, 2800/3.9=52...(17) H ARG 70 + HD2 ARG 69 OK 86 87 100 99 2.8-6.2 5829/3.0=66, 297/3.9=53...(14) H ARG 70 + HD3 ARG 69 OK 86 87 100 99 3.9-6.2 5829/3.0=66, 297/3.9=53...(14) H VAL 76 - HD2 ARG 69 poor 19 97 20 - 3.8-15.3 H LYS 73 - HD2 ARG 69 poor 18 68 40 66 4.1-8.1 2816/3.0=22, 2808/3.0=19...(11) H GLY 72 - HD2 ARG 69 poor 17 83 20 - 4.7-8.6 H LYS 73 - HD3 ARG 69 poor 16 68 35 66 3.8-8.3 2816/3.0=22, 2808/3.0=19...(11) H VAL 76 - HD3 ARG 69 far 14 97 15 - 4.0-13.8 H GLY 72 - HD3 ARG 69 far 8 83 10 - 6.0-9.0 Violated in 0 structures by 0.00 A. Peak 5832 from cnoeabs.peaks (0.88, 3.20, 43.49 ppm; 4.50 A): 3 out of 14 assignments used, quality = 0.69: QD1 LEU 62 + HD2 ARG 66 OK 38 91 60 69 4.5-8.6 ~5958=22, 2.1/5958=22...(8) QD1 LEU 62 + HD3 ARG 66 OK 36 88 60 69 3.6-7.5 5961=22, 2.1/5958=22...(9) QD1 LEU 29 + HD3 ARG 26 OK 21 29 90 82 3.3-7.2 4187/4.8=25, 5961=22...(11) QD1 LEU 86 - HD2 ARG 70 far 5 97 5 - 4.9-34.3 QD1 LEU 86 - HD3 ARG 70 far 5 97 5 - 6.0-34.7 QD1 LEU 86 - HD3 ARG 26 far 0 27 0 - 6.8-42.8 QD1 LEU 86 - HD3 ARG 66 far 0 83 0 - 7.3-34.8 QD1 LEU 86 - HD2 ARG 66 far 0 87 0 - 7.3-36.1 QD1 LEU 86 - HD3 ARG 71 far 0 55 0 - 8.1-37.3 QD1 LEU 62 - HD3 ARG 70 far 0 100 0 - 8.8-14.2 QD1 LEU 62 - HD2 ARG 70 far 0 100 0 - 9.3-13.9 HG LEU 51 - HD2 ARG 66 far 0 82 0 - 9.8-14.1 QD1 LEU 29 - HD3 ARG 71 far 0 59 0 - 9.8-18.4 HG LEU 51 - HD3 ARG 66 far 0 78 0 - 9.8-15.2 Violated in 3 structures by 0.08 A. Peak 5836 from cnoeabs.peaks (2.79, 4.08, 58.40 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.89: HB3 ASN 74 + HA ARG 71 OK 70 93 80 94 3.1-7.8 1.8/16010=61, 16009=59...(8) HB2 ASN 74 + HA ARG 71 OK 63 90 75 93 3.7-6.3 16010=60, 1.8/16009=59...(8) Violated in 7 structures by 0.18 A. Peak 5844 from cnoeabs.peaks (1.82, 3.96, 46.02 ppm; 4.62 A): 2 out of 5 assignments used, quality = 0.91: HB2 LYS 73 + HA2 GLY 72 OK 88 100 90 97 4.4-6.3 787/3.6=80, 6036/1.8=27...(15) HB2 LYS 75 + HA2 GLY 72 OK 25 76 35 96 2.9-11.2 16031=71, 1.8/16032=65...(8) HB2 ARG 69 - HA2 GLY 72 far 4 89 5 - 5.9-8.8 HB2 ARG 23 - HA2 GLY 72 far 3 65 5 - 5.9-13.8 HB3 ARG 23 - HA2 GLY 72 far 0 63 0 - 7.0-14.2 Violated in 9 structures by 0.10 A. Peak 5846 from cnoeabs.peaks (0.91, 1.78, 32.45 ppm; 4.45 A): 7 out of 24 assignments used, quality = 0.99: QG2 VAL 41 + HB3 LYS 73 OK 67 71 95 100 2.8-6.3 ~4904=43, ~5626=40...(25) QG2 VAL 76 + HB3 LYS 73 OK 60 97 65 95 1.9-10.4 ~6037=42, ~15432=40...(17) QG1 VAL 76 + HB3 LYS 75 OK 59 86 75 91 3.8-6.5 3.9/341=47, ~5853=35...(15) QG1 VAL 76 + HB3 LYS 73 OK 50 97 55 95 2.7-8.2 ~6037=42, ~15432=40...(18) QG2 VAL 76 + HB3 LYS 75 OK 43 86 55 91 2.8-6.8 3.9/341=47, ~5853=35...(17) HG LEU 51 + HB3 LYS 39 OK 34 85 40 99 4.6-9.4 2.1/5205=64, ~5204=48...(14) QG2 ILE 40 + HB3 LYS 39 OK 27 81 35 95 5.4-6.9 4.0/130=55, 4301/5205=29...(19) QG2 VAL 41 - HB3 LYS 75 poor 18 60 30 - 4.5-11.2 QD1 LEU 86 - HB2 LYS 85 poor 18 45 40 - 4.6-7.6 QG2 ILE 40 - HB3 LYS 73 poor 8 83 25 37 4.7-8.6 5263/788=9, 4303/1.8=8...(9) QD1 LEU 86 - HB2 LYS 83 far 4 72 5 - 5.8-12.8 HG12 ILE 68 - HB3 LYS 75 far 0 86 0 - 6.2-18.2 QG2 VAL 41 - HB3 LYS 39 far 0 69 0 - 6.4-7.4 QG1 VAL 76 - HB2 LYS 83 far 0 91 0 - 7.1-16.6 QD1 LEU 86 - HB3 LYS 39 far 0 77 0 - 7.3-33.5 HG12 ILE 68 - HB3 LYS 73 far 0 97 0 - 7.7-12.2 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 7.8-13.1 QG2 VAL 76 - HB2 LYS 83 far 0 91 0 - 7.9-17.8 QG2 VAL 76 - HB3 LYS 39 far 0 95 0 - 8.4-19.2 QG1 VAL 76 - HB3 LYS 39 far 0 95 0 - 8.5-16.9 HG LEU 51 - HB2 LYS 13 far 0 78 0 - 8.6-32.7 HG12 ILE 68 - HB3 LYS 39 far 0 95 0 - 8.6-12.4 QG2 ILE 40 - HB2 LYS 13 far 0 74 0 - 9.5-25.9 QD2 LEU 62 - HB2 LYS 83 far 0 76 0 - 9.9-31.7 Violated in 0 structures by 0.00 A. Peak 5852 from cnoeabs.peaks (2.33, 3.97, 62.83 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.72: HG2 GLN 79 + HA VAL 76 OK 48 100 50 95 2.6-12.1 3.0/16011=61, 5864=47...(12) HG3 GLN 79 + HA VAL 76 OK 47 100 50 95 2.1-11.6 3.0/16011=61...(12) Violated in 11 structures by 1.35 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 3.9-5.4 340/3.0=87, ~3975=56...(20) HB2 LYS 73 - HA VAL 76 far 5 99 5 - 6.6-12.6 HB2 ARG 69 - HA VAL 76 far 0 68 0 - 7.8-14.6 HB3 ARG 71 - HA VAL 76 far 0 71 0 - 8.3-14.4 HB2 ARG 71 - HA VAL 76 far 0 73 0 - 9.5-14.2 HB2 ARG 23 - HA VAL 76 far 0 87 0 - 9.6-24.4 Violated in 2 structures by 0.01 A. Peak 5854 from cnoeabs.peaks (1.37, 0.92, 20.67 ppm; 3.97 A): 10 out of 21 assignments used, quality = 1.00: QB ALA 77 + QG1 VAL 76 OK 96 100 100 96 3.1-5.4 ~350=36, 2.9/352=32...(18) QB ALA 77 + QG2 VAL 76 OK 92 100 95 97 3.3-5.5 ~350=36, 2.9/352=32...(18) HG2 LYS 75 + QG2 VAL 76 OK 38 89 50 87 3.4-7.6 ~5853=22, 4.9/815=21...(19) HG3 LYS 75 + QG1 VAL 76 OK 38 88 50 86 2.7-7.7 ~5853=22, 4.9/814=21...(19) HG3 LYS 73 + QG1 VAL 76 OK 38 91 50 83 3.1-9.0 5257=30, 5257/2.1=26...(22) HG3 LYS 75 + QG2 VAL 76 OK 31 89 40 86 2.2-7.6 ~5853=22, 4.9/815=21...(19) HG2 LYS 75 + QG1 VAL 76 OK 30 88 40 87 2.1-7.3 ~5853=22, 4.9/814=21...(19) QB ALA 78 + QG2 VAL 76 OK 24 92 40 66 2.6-7.7 2.9/5861=22, ~5861=14...(14) QB ALA 78 + QG1 VAL 76 OK 24 91 40 66 2.1-7.4 2.9/5861=21, ~5861=15...(14) HG3 LYS 73 + QG2 VAL 76 OK 23 92 30 83 3.4-10.8 5257/2.1=36, 5257=21...(21) HB3 ARG 69 - QG1 VAL 76 poor 15 77 20 - 4.7-11.9 HG3 ARG 69 - QG2 VAL 76 far 15 100 15 - 4.2-12.4 HB3 ARG 69 - QG2 VAL 76 far 12 78 15 - 4.2-11.7 HG3 ARG 69 - QG1 VAL 76 lone 1 99 25 4 3.8-11.7 2816/5263=1 HG2 LYS 83 - QG1 VAL 76 far 0 99 0 - 5.9-18.4 QB ALA 20 - QG2 VAL 76 far 0 100 0 - 6.3-20.9 QB ALA 20 - QG1 VAL 76 far 0 99 0 - 6.3-20.3 HG2 LYS 83 - QG2 VAL 76 far 0 100 0 - 8.3-19.7 HG2 LYS 85 - QG2 VAL 90 far 0 71 0 - 8.6-15.8 HG2 LYS 85 - QG1 VAL 76 far 0 99 0 - 9.7-22.0 QB ALA 16 - QG2 VAL 76 far 0 95 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 5856 from cnoeabs.peaks (4.23, 3.97, 62.83 ppm; 4.38 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 77 + HA VAL 76 OK 99 100 100 99 4.3-5.3 3.0/349=84, ~350=34...(14) HA LYS 75 + HA VAL 76 OK 97 97 100 100 4.4-4.7 4.7=80, 3975/3.0=78...(20) HA ALA 78 - HA VAL 76 far 9 63 15 - 4.6-7.4 HA ALA 20 - HA VAL 76 far 0 65 0 - 7.2-28.0 HB THR 37 - HA VAL 76 far 0 97 0 - 8.2-19.6 HA GLU 19 - HA VAL 76 far 0 76 0 - 9.0-30.5 HA LYS 83 - HA VAL 76 far 0 98 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 5859 from cnoeabs.peaks (2.70, 4.23, 52.70 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.38: * HB2 ASN 80 + HA ALA 77 OK 38 100 40 94 2.4-11.5 15869=65, 1.8/15875=65...(8) HB2 ASN 80 - HA ALA 78 poor 14 54 25 - 4.1-8.3 Violated in 14 structures by 3.24 A. Peak 5862 from cnoeabs.peaks (3.03, 4.21, 52.88 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.90: * HB2 TYR 81 + HA ALA 78 OK 90 100 90 100 3.5-11.0 15458=96, 1.8/6049=74...(6) HB2 TYR 81 - HA ALA 77 far 3 57 5 - 5.8-10.2 Violated in 18 structures by 1.18 A. Peak 5864 from cnoeabs.peaks (3.96, 2.33, 33.49 ppm; 4.92 A): 2 out of 10 assignments used, quality = 0.81: HA VAL 76 + HG2 GLN 79 OK 63 100 65 97 2.6-12.1 16011/3.0=68, 5852=50...(12) HA VAL 76 + HG3 GLN 79 OK 49 100 50 97 2.1-11.6 16011/3.0=68, 5852=50...(12) HA ARG 66 - HG2 GLN 79 far 5 97 5 - 6.1-21.4 HA2 GLY 21 - HG2 GLN 79 far 5 93 5 - 5.4-33.8 HA2 GLY 21 - HG3 GLN 79 far 5 93 5 - 5.9-33.4 HA3 GLY 21 - HG2 GLN 79 far 5 92 5 - 4.9-34.4 HA3 GLY 21 - HG3 GLN 79 far 5 92 5 - 5.7-34.1 HA ARG 66 - HG3 GLN 79 far 0 97 0 - 7.6-21.7 HA2 GLY 72 - HG2 GLN 79 far 0 100 0 - 8.6-20.4 HA2 GLY 72 - HG3 GLN 79 far 0 100 0 - 9.7-18.8 Violated in 11 structures by 1.19 A. Peak 5865 from cnoeabs.peaks (0.92, 2.33, 33.49 ppm; 5.28 A): 4 out of 11 assignments used, quality = 0.98: QG1 VAL 76 + HG3 GLN 79 OK 66 99 70 95 2.1-9.1 ~16011=42, 3.2/5852=38...(14) QG1 VAL 76 + HG2 GLN 79 OK 61 99 65 95 2.4-9.3 ~16011=42, 3.2/5864=41...(14) QG2 VAL 76 + HG2 GLN 79 OK 61 99 65 94 3.5-8.8 ~16011=42, 3.2/5864=41...(13) QG2 VAL 76 + HG3 GLN 79 OK 56 99 60 95 2.0-8.3 ~16011=42, 3.2/5852=38...(13) QG2 VAL 41 - HG2 GLN 79 far 0 83 0 - 7.4-20.4 QD2 LEU 62 - HG2 GLN 79 far 0 92 0 - 8.0-23.7 QG2 VAL 41 - HG3 GLN 79 far 0 83 0 - 8.0-19.1 QG2 ILE 40 - HG2 GLN 79 far 0 92 0 - 8.1-20.4 QD2 LEU 62 - HG3 GLN 79 far 0 92 0 - 8.9-24.0 QD2 LEU 43 - HG3 GLN 79 far 0 57 0 - 9.2-27.2 QG2 ILE 40 - HG3 GLN 79 far 0 92 0 - 9.2-19.1 Violated in 5 structures by 0.23 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 2.1-4.1 3.5=100 HE22 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.1-4.1 3.5=100 HD21 ASN 49 - HG2 GLN 79 far 0 100 0 - 7.3-31.8 HD21 ASN 49 - HG3 GLN 79 far 0 100 0 - 8.0-30.5 Violated in 0 structures by 0.00 A. Peak 5867 from cnoeabs.peaks (8.21, 1.97, 28.98 ppm; 4.56 A): 3 out of 10 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 2.1-4.0 4.0=100 H ALA 77 + HB2 GLN 79 OK 23 97 35 68 4.0-10.0 349/16011=56, ~5446=9...(6) H ALA 77 - HB3 GLN 79 poor 11 57 40 49 3.6-9.5 349/6044=30, ~5446=9...(6) H SER 22 - HB2 GLN 79 far 5 100 5 - 3.9-32.5 H GLU 25 - HB2 GLN 79 far 5 93 5 - 5.9-29.4 H ARG 84 - HB2 GLN 79 far 5 90 5 - 5.7-15.8 H SER 22 - HB3 GLN 79 far 3 62 5 - 3.9-31.5 H GLU 25 - HB3 GLN 79 far 3 54 5 - 6.0-28.4 H ARG 84 - HB3 GLN 79 far 0 51 0 - 7.4-15.3 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 4 assignments used, quality = 0.94: QD TYR 81 + HA GLN 79 OK 81 99 90 91 2.5-7.8 4685/5.0=45, ~4681=44...(8) QD TYR 81 + HA ARG 82 OK 70 70 100 99 3.0-5.9 4683/3.0=72, 4684/3.8=64...(14) QD PHE 48 - HA GLN 79 far 0 85 0 - 6.6-21.4 QD PHE 48 - HA ARG 82 far 0 56 0 - 9.6-27.5 Violated in 3 structures by 0.01 A. Peak 5869 from cnoeabs.peaks (4.23, 2.70, 38.61 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.56: * HA ALA 77 + HB2 ASN 80 OK 40 100 40 100 2.4-11.5 5859=100, 15875/1.8=84...(8) HA ALA 78 + HB2 ASN 80 OK 26 73 40 88 4.1-8.3 15882/4.4=37...(10) HA LYS 83 - HB2 ASN 80 far 14 95 15 - 5.6-12.5 HA LYS 85 - HB2 ASN 80 far 0 100 0 - 6.7-17.4 HA LYS 75 - HB2 ASN 80 far 0 93 0 - 7.8-15.8 Violated in 12 structures by 1.22 A. Peak 5871 from cnoeabs.peaks (6.89, 2.70, 38.61 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 80 + HB2 ASN 80 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 74 - HB2 ASN 80 far 0 97 0 - 7.1-20.9 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 2.1-3.6 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 3.5-4.7 4.4=100 H ARG 82 - HB2 ASN 80 lone 1 97 65 2 5.2-8.1 Violated in 0 structures by 0.00 A. Peak 5874 from cnoeabs.peaks (1.39, 2.70, 38.61 ppm; 5.54 A): 2 out of 10 assignments used, quality = 0.86: QB ALA 78 + HB2 ASN 80 OK 72 100 85 85 3.0-7.7 2.1/5869=36, ~6046=24...(9) QB ALA 77 + HB2 ASN 80 OK 50 90 55 100 1.9-10.1 2.1/5859=98, ~15875=75...(8) HG2 LYS 83 - HB2 ASN 80 poor 16 76 35 61 3.4-15.5 ~6055=43, ~6053=13...(5) HG3 LYS 73 - HB2 ASN 80 far 10 100 10 - 3.8-19.6 HG2 LYS 85 - HB2 ASN 80 far 5 93 5 - 6.8-18.3 HG3 ARG 69 - HB2 ASN 80 far 0 92 0 - 8.3-21.0 HG2 LYS 75 - HB2 ASN 80 far 0 100 0 - 8.8-18.2 HG3 LYS 75 - HB2 ASN 80 far 0 100 0 - 8.8-18.6 HB3 ARG 69 - HB2 ASN 80 far 0 100 0 - 8.9-22.2 QB ALA 53 - HB2 ASN 80 far 0 100 0 - 8.9-29.3 Violated in 9 structures by 0.39 A. Peak 5875 from cnoeabs.peaks (4.23, 2.76, 38.61 ppm; 4.57 A): 3 out of 10 assignments used, quality = 0.80: * HA ALA 77 + HB3 ASN 80 OK 49 100 50 98 2.9-11.2 5859/1.8=88, 6046=68...(9) HA LYS 75 + HB3 ASN 74 OK 41 59 100 69 4.0-5.9 ~334=32, 3.0/335=32...(6) HA ALA 78 + HB3 ASN 80 OK 33 73 50 90 4.7-8.3 15882/4.4=34, 6046=31...(10) HA LYS 83 - HB3 ASN 80 poor 19 95 20 - 4.6-12.2 HA ALA 77 - HB3 ASN 74 far 10 68 15 - 4.7-10.3 HA LYS 85 - HB3 ASN 80 far 5 100 5 - 5.0-17.6 HA ALA 78 - HB3 ASN 74 far 0 43 0 - 6.5-14.1 HA GLU 19 - HB3 ASN 74 far 0 38 0 - 6.9-26.1 HA LYS 75 - HB3 ASN 80 far 0 93 0 - 7.8-16.8 HA LEU 64 - HB3 ASN 80 far 0 57 0 - 9.8-31.6 Violated in 6 structures by 0.14 A. Peak 5876 from cnoeabs.peaks (2.75, 2.70, 38.61 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASN 80 + HB2 ASN 80 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 ASN 42 - HB2 ASN 80 far 0 99 0 - 9.4-26.7 Violated in 0 structures by 0.00 A. Peak 5877 from cnoeabs.peaks (2.71, 2.76, 38.61 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASN 80 + HB3 ASN 80 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 ASN 80 - HB3 ASN 74 far 0 63 0 - 6.4-18.7 Violated in 0 structures by 0.00 A. Peak 5878 from cnoeabs.peaks (2.76, 2.76, 38.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 80 + HB3 ASN 80 OK 100 100 - 100 HB3 ASN 74 + HB3 ASN 74 OK 45 45 - 100 Peak 5879 from cnoeabs.peaks (1.37, 2.76, 38.61 ppm; 4.81 A): 3 out of 19 assignments used, quality = 0.87: QB ALA 78 + HB3 ASN 80 OK 50 89 75 76 3.7-7.9 2.1/6046=26, ~5869=22...(8) QB ALA 77 + HB3 ASN 80 OK 49 100 50 99 2.4-10.1 2.1/15875=80, ~5859=65...(10) QB ALA 77 + HB3 ASN 74 OK 49 67 75 97 4.0-9.4 16040/3.0=88, ~16039=36...(6) HG2 LYS 83 - HB3 ASN 80 poor 15 100 30 50 3.0-14.7 ~6055=32, 6041/3.0=10...(5) HG2 LYS 75 - HB3 ASN 74 poor 15 52 55 52 3.4-8.5 4.8/335=24, 3.9/5875=20...(5) HG3 LYS 73 - HB3 ASN 74 poor 14 55 25 - 4.6-8.7 HG3 LYS 75 - HB3 ASN 74 poor 12 52 45 52 3.6-8.5 4.8/335=24, 3.9/5875=20...(4) QB ALA 78 - HB3 ASN 74 poor 11 55 20 - 4.6-13.0 HG3 LYS 73 - HB3 ASN 80 far 9 89 10 - 5.4-20.4 HG2 LYS 85 - HB3 ASN 80 far 5 99 5 - 5.5-19.0 QB ALA 20 - HB3 ASN 74 far 3 66 5 - 5.7-20.9 HB3 ARG 69 - HB3 ASN 74 far 0 43 0 - 7.2-13.0 QB ALA 16 - HB3 ASN 74 far 0 63 0 - 7.3-28.2 HB3 ARG 69 - HB3 ASN 80 far 0 73 0 - 7.9-23.5 HG3 ARG 69 - HB3 ASN 80 far 0 99 0 - 8.1-22.7 HG3 ARG 69 - HB3 ASN 74 far 0 67 0 - 8.5-12.0 QB ALA 53 - HB3 ASN 80 far 0 78 0 - 9.0-28.5 HG2 LYS 75 - HB3 ASN 80 far 0 85 0 - 9.1-19.3 HG3 LYS 75 - HB3 ASN 80 far 0 85 0 - 9.4-19.7 Violated in 5 structures by 0.16 A. Peak 5880 from cnoeabs.peaks (6.89, 2.76, 38.61 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: HD22 ASN 80 + HB3 ASN 80 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 65 65 100 100 2.3-4.1 3.5=100 HD22 ASN 80 - HB3 ASN 74 far 3 69 5 - 6.0-18.1 HD22 ASN 74 - HB3 ASN 80 far 0 98 0 - 6.6-21.4 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 2.1-3.6 3.5=100 HD21 ASN 80 - HB3 ASN 74 far 3 68 5 - 5.9-17.5 Violated in 0 structures by 0.00 A. Peak 5883 from cnoeabs.peaks (3.00, 3.03, 38.06 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.71: HB3 TYR 81 + HB2 TYR 81 OK 71 71 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5884 from cnoeabs.peaks (3.06, 2.98, 38.06 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.65: HB2 TYR 81 + HB3 TYR 81 OK 65 65 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5885 from cnoeabs.peaks (1.52, 4.18, 56.27 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.97: HG2 ARG 82 + HA ARG 82 OK 97 99 100 98 2.2-3.6 3.8=76, 5479/3.0=61...(14) HG2 ARG 82 - HA GLN 79 far 0 73 0 - 5.1-11.8 HG2 ARG 82 - HA ARG 84 far 0 78 0 - 5.8-9.3 HG2 ARG 82 - HA LYS 73 far 0 55 0 - 7.5-21.3 HG3 ARG 23 - HA GLN 79 far 0 56 0 - 10.0-29.1 Violated in 5 structures by 0.02 A. Peak 5886 from cnoeabs.peaks (3.01, 4.18, 56.27 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.85: HB2 TYR 81 + HA ARG 82 OK 66 68 100 97 3.9-5.4 5887/3.0=64, ~5474=48...(8) HB3 TYR 81 + HA ARG 82 OK 55 57 100 96 4.2-6.1 ~5887=51, ~5474=48...(7) HB3 TYR 81 - HA GLN 79 poor 19 37 85 60 4.6-7.2 2.5/5868=22, 4.4/4678=21...(6) HB2 TYR 81 - HA GLN 79 poor 12 44 45 61 4.7-8.9 2.5/5868=22, 4.4/4678=21...(6) HB2 TYR 81 - HA LYS 73 far 0 32 0 - 7.1-19.2 HB3 TYR 81 - HA LYS 73 far 0 26 0 - 7.3-17.6 HB2 TYR 81 - HA ARG 84 far 0 48 0 - 7.4-11.9 HB3 TYR 81 - HA ARG 84 far 0 40 0 - 8.3-12.6 Violated in 1 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 3.2-4.9 2.5/4683=77, ~4684=45...(9) HD2 ARG 54 - HB2 PRO 34 far 0 87 0 - 7.9-12.4 HD3 ARG 54 - HB2 PRO 34 far 0 86 0 - 8.1-11.2 Violated in 4 structures by 0.01 A. Peak 5888 from cnoeabs.peaks (3.15, 4.18, 56.27 ppm; 4.25 A): 3 out of 19 assignments used, quality = 1.00: * HD2 ARG 82 + HA ARG 82 OK 98 100 100 98 2.0-4.9 3.0/5885=75, 4.9=65...(9) HD2 ARG 84 + HA ARG 84 OK 81 81 100 100 2.6-4.8 5.1=58, 3410/3.0=41...(41) HD3 ARG 84 + HA ARG 84 OK 80 81 100 100 2.0-5.5 5.1=58, 3418/3.0=41...(41) HD2 ARG 84 - HA ARG 82 far 10 100 10 - 4.1-9.9 HD3 ARG 84 - HA ARG 82 far 5 100 5 - 3.4-10.5 HD2 ARG 82 - HA GLN 79 far 4 76 5 - 5.7-13.5 HD2 ARG 82 - HA ARG 84 far 0 81 0 - 6.2-9.9 HD2 ARG 26 - HA ARG 84 far 0 46 0 - 6.9-43.2 HD2 ARG 71 - HA LYS 73 far 0 55 0 - 8.0-10.8 HD2 ARG 71 - HA ARG 84 far 0 78 0 - 8.5-36.4 HD3 ARG 26 - HA ARG 84 far 0 44 0 - 8.5-43.2 HB2 PHE 48 - HA GLN 79 far 0 50 0 - 8.6-24.9 HD3 ARG 84 - HA GLN 79 far 0 76 0 - 8.7-17.3 HD2 ARG 82 - HA LYS 73 far 0 57 0 - 8.9-23.9 HD2 ARG 84 - HA GLN 79 far 0 76 0 - 9.1-17.7 HD2 ARG 26 - HA GLN 79 far 0 43 0 - 9.3-32.1 HD2 ARG 71 - HA GLN 79 far 0 73 0 - 9.5-22.5 HB2 PHE 48 - HA LYS 73 far 0 37 0 - 9.6-13.4 HD2 ARG 23 - HA GLN 79 far 0 60 0 - 9.7-27.5 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 4 assignments used, quality = 1.00: HD2 ARG 82 + HB2 ARG 82 OK 100 100 100 100 2.0-3.9 3.6=100 HD2 ARG 84 - HB2 ARG 82 poor 20 100 20 - 3.7-9.3 HD3 ARG 84 - HB2 ARG 82 lone 1 99 25 4 4.2-10.2 ~3400=1, ~3392=1 HD2 ARG 71 - HB2 ARG 82 far 0 100 0 - 8.3-32.2 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 10 assignments used, quality = 0.93: H ARG 84 + HB2 ARG 84 OK 93 93 100 100 2.2-3.9 4.0=100 H SER 22 - HB3 ARG 17 far 0 45 0 - 7.0-15.1 H THR 15 - HB3 ARG 17 far 0 58 0 - 7.2-10.7 H GLU 25 - HB2 ARG 84 far 0 90 0 - 7.3-37.8 H SER 22 - HB2 ARG 84 far 0 68 0 - 7.7-39.8 H ALA 28 - HB3 ARG 17 far 0 41 0 - 8.1-18.9 H ARG 27 - HB2 ARG 84 far 0 99 0 - 8.3-41.1 H ILE 89 - HB2 ARG 84 far 0 96 0 - 9.2-16.9 H ALA 28 - HB2 ARG 84 far 0 63 0 - 9.5-40.1 H GLU 25 - HB3 ARG 17 far 0 63 0 - 9.7-16.6 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 12 assignments used, quality = 0.93: H ARG 84 + HB3 ARG 84 OK 93 93 100 100 2.5-4.0 4.0=100 H SER 22 - HB3 ARG 84 far 0 68 0 - 6.4-40.5 H THR 15 - HB3 LYS 32 far 0 36 0 - 6.4-25.2 H THR 15 - HB2 LYS 32 far 0 36 0 - 6.7-23.8 H GLU 25 - HB3 ARG 84 far 0 90 0 - 7.0-39.3 H ILE 89 - HB3 ARG 84 far 0 96 0 - 8.0-16.7 H ILE 89 - HB3 LYS 32 far 0 43 0 - 8.4-54.5 H ALA 28 - HB2 LYS 32 far 0 24 0 - 8.7-10.3 H ARG 27 - HB3 ARG 84 far 0 99 0 - 8.8-42.6 H ALA 28 - HB3 LYS 32 far 0 24 0 - 9.2-10.6 H ILE 89 - HB2 LYS 32 far 0 43 0 - 9.7-53.9 H THR 15 - HB2 PRO 34 far 0 53 0 - 9.9-25.2 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 13 assignments used, quality = 1.00: H LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.1-5.0 4.8=100 H LYS 75 + HG3 LYS 73 OK 59 93 70 91 3.1-7.2 5849/1.8=41, 803/2.9=28...(18) H LYS 75 + HG3 LYS 75 OK 55 55 100 100 1.9-4.8 4.8=100 H LYS 75 + HG2 LYS 75 OK 55 55 100 100 2.6-5.0 4.8=100 H ARG 71 - HG3 LYS 73 far 14 96 15 - 5.8-8.5 H LYS 85 - HG2 LYS 83 poor 10 91 35 32 4.9-8.2 3443/2.9=15, 3.6/2999=10 H THR 88 - HG2 LYS 85 far 9 57 15 - 5.3-9.7 H ARG 71 - HG3 LYS 75 far 6 58 10 - 6.2-13.3 H ARG 26 - HG2 LYS 75 far 0 27 0 - 6.4-24.2 H ARG 26 - HG3 LYS 75 far 0 27 0 - 6.8-24.5 H ARG 71 - HG2 LYS 75 far 0 58 0 - 7.2-13.2 H ARG 71 - HG2 LYS 83 far 0 90 0 - 8.7-27.3 H ARG 26 - HG2 LYS 85 far 0 57 0 - 8.8-42.8 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 1.9-4.7 4.8=100 H ASN 74 + HG2 LYS 73 OK 33 35 100 93 2.4-5.4 4.5/789=52, 324/2.9=40...(8) H ARG 71 - HG2 LYS 73 poor 14 56 25 - 5.6-8.0 H ALA 78 - HG2 LYS 73 far 6 43 15 - 5.2-15.5 H THR 88 - HG3 LYS 85 lone 1 99 35 2 5.7-10.1 H ARG 26 - HG3 LYS 13 far 0 96 0 - 9.5-29.1 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 9 assignments used, quality = 0.97: H LEU 86 + HG LEU 86 OK 97 97 100 100 2.2-5.1 861/3.0=89, 5.3=85...(8) H LEU 86 - HG2 ARG 84 far 10 65 15 - 5.1-8.7 H VAL 90 - HG LEU 86 far 5 97 5 - 4.9-14.8 H ASN 80 - HG3 ARG 70 far 4 86 5 - 6.5-20.6 H LEU 86 - HG3 ARG 84 lone 3 65 35 15 3.7-9.0 4.7/5489=10, 386/3.0=4 H LEU 86 - HG3 ARG 70 far 0 82 0 - 7.9-33.7 H LYS 13 - HG3 ARG 17 far 0 76 0 - 8.8-17.0 H ASN 80 - HG2 ARG 84 far 0 68 0 - 9.0-12.8 H ASN 80 - HG3 ARG 84 far 0 68 0 - 9.9-14.1 Violated in 1 structures by 0.01 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 2.3-4.4 4.4=100 H LEU 86 - HB ILE 89 far 0 99 0 - 7.8-13.5 Violated in 0 structures by 0.00 A. Peak 5904 from cnoeabs.peaks (4.30, 0.81, 12.45 ppm; 5.30 A): 2 out of 4 assignments used, quality = 0.78: HA THR 88 + QD1 ILE 89 OK 71 81 100 88 2.8-5.5 408/4.9=61, 3588/2.1=30...(7) HA LEU 86 + QD1 ILE 89 OK 24 100 40 59 3.6-10.8 3.0/6150=41, 4.3/6150=28 HA GLU 87 - QD1 ILE 89 poor 13 92 65 21 3.5-8.4 3528/6150=14, ~5919=4 HA PRO 34 - QD1 ILE 89 far 5 92 5 - 6.0-44.6 Violated in 0 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 3.0-4.9 4.8=100 HD2 LYS 13 + HD2 PRO 14 OK 78 97 85 94 2.0-7.6 3.5/4813=66, 5.4/4801=59...(6) HD3 LYS 13 + HD2 PRO 14 OK 73 97 80 94 2.0-7.1 3.5/4813=66, 5.4/4801=59...(6) HG LEU 29 - HD2 PRO 14 far 5 100 5 - 5.2-24.0 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 1 assignment used, quality = 1.00: H LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.0-4.4 4.9=100 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 20 assignments used, quality = 0.92: HG2 ARG 26 + HB3 GLU 25 OK 72 93 95 81 3.4-6.5 1.8/5926=37, 529/4.7=30...(10) HG2 ARG 26 + HB2 GLU 25 OK 72 93 95 81 4.1-6.5 1.8/5926=35, 529/4.7=30...(10) HG2 ARG 27 - HB2 GLU 25 far 10 100 10 - 5.5-9.2 HG3 ARG 27 - HB3 GLU 25 far 5 100 5 - 5.7-9.4 HG3 ARG 27 - HB2 GLU 25 far 5 100 5 - 6.0-9.2 HG2 ARG 27 - HB3 GLU 25 far 5 100 5 - 6.0-9.7 HD2 LYS 75 - HB2 GLU 25 far 3 60 5 - 5.7-26.3 HD3 LYS 75 - HB2 GLU 25 far 3 60 5 - 5.8-26.4 HD2 LYS 75 - HB3 GLU 25 far 0 60 0 - 6.4-26.6 HB2 LEU 86 - HB3 GLU 25 far 0 81 0 - 6.4-43.6 HD3 LYS 75 - HB3 GLU 25 far 0 60 0 - 6.7-26.8 HG3 ARG 17 - HB2 GLU 25 far 0 90 0 - 7.1-19.4 HG3 ARG 17 - HB3 GLU 25 far 0 90 0 - 7.1-20.7 HB3 GLN 61 - HB3 PRO 56 far 0 35 0 - 7.6-10.2 HB2 LEU 86 - HB2 GLU 25 far 0 81 0 - 7.8-43.9 HG2 ARG 17 - HB3 GLU 25 far 0 89 0 - 7.9-20.9 HD2 LYS 32 - HB3 PRO 56 far 0 33 0 - 8.2-14.1 HG2 ARG 17 - HB2 GLU 25 far 0 89 0 - 8.5-19.7 HD3 LYS 32 - HB3 PRO 56 far 0 36 0 - 8.8-13.6 HG2 ARG 71 - HB2 GLU 25 far 0 90 0 - 9.3-17.1 Violated in 7 structures by 0.06 A. Peak 5926 from cnoeabs.peaks (2.05, 1.75, 27.49 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 25 + HG3 ARG 26 OK 91 100 100 91 3.6-6.1 4.7/1390=56, 5925/1.8=43...(9) HB2 GLU 25 + HG3 ARG 26 OK 87 100 95 91 3.3-6.5 4.7/1390=56, 5925/1.8=42...(9) HB3 GLU 19 - HG3 ARG 26 far 5 92 5 - 6.2-16.1 HB2 GLU 87 - HG3 ARG 26 far 0 78 0 - 9.7-48.8 HB3 MET 31 - HG3 ARG 26 far 0 89 0 - 9.8-13.1 Violated in 1 structures by 0.00 A. Peak 5927 from cnoeabs.peaks (0.75, 1.85, 30.20 ppm; 5.70 A): 4 out of 10 assignments used, quality = 0.88: QD1 ILE 68 + HB3 ARG 27 OK 52 68 100 77 2.8-5.2 5974=36, 5974/1.8=25...(7) QD1 ILE 68 + HB2 ARG 27 OK 51 68 100 74 3.2-6.2 5974/1.8=36, 5974=25...(7) QD1 ILE 68 + HB2 ARG 71 OK 38 68 85 66 3.2-7.6 4.1/5392=35, 3939/4.4=16...(8) QD1 ILE 68 + HB3 ARG 71 OK 21 68 50 61 3.6-8.8 4.1/5392=32, 3939/4.4=16...(7) QD1 ILE 68 - HB3 ARG 23 poor 10 49 20 - 6.6-10.3 QD1 ILE 68 - HB2 ARG 66 poor 9 34 25 - 7.0-8.2 QD1 ILE 68 - HB2 ARG 23 far 7 49 15 - 6.5-10.5 QD1 ILE 68 - HB2 ARG 26 poor 6 32 20 - 6.7-9.1 QD1 ILE 68 - HB3 ARG 26 far 0 30 0 - 7.5-9.7 QD1 ILE 68 - HB3 PRO 34 far 0 27 0 - 8.4-11.0 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 4 assignments used, quality = 0.61: QD1 ILE 68 + HA ALA 28 OK 61 65 100 93 2.6-4.7 4758/2.1=54, ~4837=29...(16) QG2 ILE 68 - HA ALA 28 poor 20 100 20 - 5.2-7.7 QD1 ILE 89 - HA ALA 28 far 5 100 5 - 5.5-44.5 QD2 LEU 86 - HA ALA 28 far 0 71 0 - 5.8-39.4 Violated in 6 structures by 0.05 A. Peak 5929 from cnoeabs.peaks (4.06, 1.67, 26.82 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.95: HA ARG 26 + HG LEU 29 OK 95 96 100 100 1.9-3.8 5394/3.0=82...(12) HA VAL 90 - HG LEU 29 far 0 85 0 - 9.0-57.1 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 2 assignments used, quality = 0.85: HE22 GLN 61 + QE MET 31 OK 85 96 90 99 3.4-7.3 5911/4.3=53...(14) QE TYR 55 - QE MET 31 far 0 100 0 - 9.9-13.1 Violated in 9 structures by 0.38 A. Peak 5931 from cnoeabs.peaks (7.46, 2.07, 32.66 ppm; 5.70 A): 1 out of 3 assignments used, quality = 1.00: HE21 GLN 61 + HB3 MET 31 OK 100 100 100 100 3.0-5.2 5910=100, 1.7/5911=88...(17) HE21 GLN 79 - HB VAL 76 poor 14 54 25 - 3.8-12.6 HE21 GLN 79 - HB3 PRO 44 far 2 38 5 - 6.8-31.9 Violated in 0 structures by 0.00 A. Peak 5932 from cnoeabs.peaks (7.44, 1.94, 32.66 ppm; 5.69 A): 2 out of 2 assignments used, quality = 0.94: HE21 GLN 61 + HB2 MET 31 OK 84 85 100 99 3.7-6.5 5910/1.8=77, ~5911=72...(14) H LEU 64 + HB2 MET 31 OK 61 83 75 98 5.4-7.6 4.4/6121=82, 5082/4.3=60...(7) Violated in 4 structures by 0.03 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 4.1-6.0 4664/1.8=99, 4667/2.3=95...(23) HE22 GLN 61 + HG2 PRO 34 OK 83 83 100 100 3.7-5.9 4655/2.3=76, ~5764=64...(15) 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 3.0-5.5 4667/2.3=97, 4664=97...(19) HE22 GLN 61 + HG3 PRO 34 OK 83 83 100 100 4.8-6.5 4655/2.3=78, ~5764=67...(12) 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 99 5.4-6.4 4687/3.6=72...(12) HZ PHE 35 - HA PRO 34 far 0 93 0 - 7.1-8.2 Violated in 19 structures by 0.53 A. Peak 5936 from cnoeabs.peaks (2.60, 2.12, 32.41 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.97: HB2 ASP 38 + HB2 PRO 36 OK 85 90 100 94 2.9-5.2 4.0/6126=67, 4.7/4867=55...(8) HB3 ASP 38 + HB2 PRO 36 OK 83 89 100 94 3.1-5.2 4.0/6126=67, 4.7/4867=55...(8) HB3 ASP 24 - HB2 PRO 36 far 0 89 0 - 9.2-12.3 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 = 0.99: HB2 ASP 38 + HG2 PRO 36 OK 71 81 100 88 2.8-5.9 5936/2.3=38, 4.0/4879=31...(8) HB2 ASP 38 + HG3 PRO 36 OK 71 80 100 88 3.8-6.5 5936/2.3=38, 4.0/4879=31...(8) HB3 ASP 38 + HG2 PRO 36 OK 69 78 100 88 2.8-5.9 5936/2.3=37, 4.0/4879=31...(8) HB3 ASP 38 + HG3 PRO 36 OK 69 78 100 88 3.8-6.5 5936/2.3=37, 4.0/4879=31...(8) HG2 GLN 61 - HG3 PRO 56 far 0 75 0 - 7.9-10.2 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 7 assignments used, quality = 1.00: HE2 LYS 39 + HA LYS 39 OK 99 99 100 100 3.2-6.5 3.6/1837=97, 3.6/1836=93...(44) HE3 LYS 39 + HA LYS 39 OK 97 97 100 100 4.1-5.7 3.6/1837=97, 3.6/1836=93...(43) HE3 LYS 73 - HA LYS 39 far 0 89 0 - 8.1-14.3 HE2 LYS 73 - HA LYS 39 far 0 90 0 - 8.5-15.7 HB3 TYR 81 - HA LYS 39 far 0 97 0 - 8.6-25.9 HE3 LYS 13 - HA LYS 39 far 0 100 0 - 9.4-30.3 HE3 LYS 75 - HA LYS 39 far 0 98 0 - 9.6-22.0 Violated in 0 structures by 0.00 A. Peak 5939 from cnoeabs.peaks (6.66, 1.55, 25.35 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 35 + HG2 LYS 39 OK 95 96 100 99 2.9-5.3 4568/6087=51...(20) Violated in 1 structures by 0.01 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 2.9-6.3 4657/129=83, 5939/2.9=74...(17) Violated in 5 structures by 0.10 A. Peak 5941 from cnoeabs.peaks (7.38, 1.58, 28.78 ppm; 5.70 A): 2 out of 4 assignments used, quality = 1.00: H LYS 39 + HD3 LYS 39 OK 96 96 100 100 2.3-5.3 595/3.0=91, 596/3.0=91...(25) H LYS 39 + HD2 LYS 39 OK 96 96 100 100 1.9-5.5 595/3.0=91, 596/3.0=91...(25) H LYS 39 - HD2 LYS 73 far 0 56 0 - 9.2-14.6 H LYS 39 - HD3 LYS 73 far 0 56 0 - 9.8-15.0 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 3.0-5.1 5940/3.5=51, 5939/3.0=34...(20) QD PHE 35 + HD2 LYS 39 OK 92 93 100 99 3.7-6.0 5940/3.5=51, 5939/3.0=34...(18) QD PHE 35 - HD2 LYS 32 far 0 54 0 - 9.7-12.9 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 = 0.99: HA PHE 35 + HD3 LYS 39 OK 92 100 100 92 3.8-5.9 3.7/5942=32...(12) HA PHE 35 + HD2 LYS 39 OK 92 100 100 92 3.8-6.8 3.7/5942=32...(12) HA PHE 35 - HD2 LYS 32 far 0 62 0 - 9.4-13.6 Violated in 1 structures by 0.00 A. Peak 5945 from cnoeabs.peaks (1.98, 1.58, 28.78 ppm; 5.52 A): 2 out of 22 assignments used, quality = 1.00: HG LEU 43 + HD2 LYS 39 OK 100 100 100 100 2.2-6.2 ~5206=58, 2.1/5213=55...(18) HG LEU 43 + HD3 LYS 39 OK 100 100 100 100 3.5-6.3 ~5206=58, 4390/5.0=50...(18) QE MET 31 - HD2 LYS 32 poor 19 64 30 - 4.8-9.3 HG2 PRO 14 - HD2 LYS 32 poor 16 65 25 - 3.6-27.2 HG3 PRO 14 - HD3 LYS 32 poor 15 60 25 - 4.3-25.3 HG3 PRO 14 - HD2 LYS 32 poor 13 65 20 - 3.1-25.8 HG2 PRO 14 - HD3 LYS 32 poor 12 60 20 - 4.5-26.7 QE MET 31 - HD3 LYS 32 poor 11 59 40 46 5.0-9.2 5087/6.1=45 HB3 GLN 79 - HD3 LYS 73 far 6 61 10 - 4.5-22.0 HB3 GLN 79 - HD2 LYS 73 far 6 61 10 - 5.0-22.9 HB2 GLN 79 - HD2 LYS 73 far 5 50 10 - 3.8-21.9 HB2 GLN 79 - HD3 LYS 73 far 5 50 10 - 3.9-21.2 HG2 PRO 14 - HD2 LYS 39 far 5 100 5 - 4.5-28.4 HG2 PRO 14 - HD3 LYS 39 far 5 100 5 - 6.0-26.7 HG3 PRO 14 - HD2 LYS 39 far 5 100 5 - 6.3-28.2 HB3 MET 11 - HD3 LYS 32 far 2 40 5 - 6.8-30.6 HG LEU 43 - HD2 LYS 73 far 0 65 0 - 7.2-14.6 HG3 PRO 14 - HD3 LYS 39 far 0 100 0 - 7.7-26.5 HB3 MET 11 - HD2 LYS 32 far 0 44 0 - 8.0-30.6 HG LEU 43 - HD3 LYS 73 far 0 65 0 - 8.2-15.1 HB2 LEU 64 - HD3 LYS 32 far 0 52 0 - 9.1-13.3 HB2 LEU 64 - HD2 LYS 32 far 0 57 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 5946 from cnoeabs.peaks (0.19, 1.23, 28.19 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HG13 ILE 40 OK 100 100 100 100 2.5-3.9 4530/4320=76...(16) 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 2.9-4.9 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): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 39 + HG LEU 43 OK 90 96 95 99 2.2-6.2 5213/2.1=50, ~5206=40...(17) HD3 LYS 39 + HG LEU 43 OK 86 97 90 99 3.5-6.3 ~5206=40, ~5213=36...(17) HG2 LYS 39 + HG LEU 43 OK 75 76 100 99 3.2-5.7 ~5206=51, ~5111=45...(16) HB3 LEU 51 + HG LEU 43 OK 21 63 35 95 5.3-7.6 3.1/5641=52, ~4917=48...(6) HB3 LEU 29 - HG2 PRO 14 poor 18 59 30 - 2.9-25.0 HB3 LEU 29 - HG3 PRO 14 far 9 59 15 - 3.2-24.0 HD3 LYS 39 - HG2 PRO 14 far 3 57 5 - 6.0-26.7 HD2 LYS 39 - HG2 PRO 14 far 3 56 5 - 4.5-28.4 HG2 LYS 39 - HG2 PRO 14 far 2 40 5 - 5.5-26.1 HD2 LYS 39 - HG3 PRO 14 far 0 56 0 - 6.3-28.2 HG2 LYS 39 - HG3 PRO 14 far 0 40 0 - 7.1-26.4 HD3 LYS 39 - HG3 PRO 14 far 0 57 0 - 7.7-26.5 HB3 LEU 51 - HG2 PRO 14 far 0 32 0 - 9.3-30.2 HG3 ARG 54 - HG LEU 43 far 0 100 0 - 9.6-12.8 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 4.2-5.7 207/4.9=79, 4963/3.0=78...(10) Violated in 1 structures by 0.00 A. Peak 5950 from cnoeabs.peaks (7.33, 1.58, 27.15 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 55 + HG3 ARG 54 OK 97 97 100 100 2.3-5.5 4634/3.0=91, 4968/1.8=79...(30) QD TYR 55 - HG LEU 62 far 0 85 0 - 7.5-9.7 Violated in 1 structures by 0.00 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 4.0-5.4 207/4.9=93, 4963/3.0=90...(9) H ALA 53 + HG LEU 62 OK 47 89 90 59 5.7-8.6 3866/5236=46...(3) H ILE 40 - HG LEU 86 far 0 37 0 - 9.9-38.2 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 3.7-5.7 3.0/4985=93, 3.0/4602=89...(22) HB ILE 40 - QD2 LEU 57 far 0 96 0 - 8.2-9.8 HB2 PRO 36 - QD2 LEU 57 far 0 97 0 - 9.2-11.0 Violated in 1 structures by 0.00 A. Peak 5955 from cnoeabs.peaks (2.58, 0.71, 23.03 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.78: HG2 GLN 61 + QD2 LEU 57 OK 78 78 100 100 3.4-5.6 3.0/4985=89, 3.0/4602=84...(23) Violated in 2 structures by 0.02 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 2.9-4.5 4707=100, 4998/6069=87...(14) HG2 GLU 50 - QD1 LEU 57 far 0 92 0 - 7.6-10.8 HG2 GLU 59 - QD1 LEU 57 far 0 95 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 5957 from cnoeabs.peaks (3.80, 0.93, 24.73 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 52 + QD2 LEU 62 OK 94 99 95 100 3.6-6.7 2257/5237=84...(11) Violated in 15 structures by 0.50 A. Peak 5958 from cnoeabs.peaks (3.18, 0.93, 24.73 ppm; 5.36 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 66 + QD2 LEU 62 OK 94 100 100 94 2.1-5.3 5099=43, 1.8/5099=39...(16) HD2 ARG 66 + QD2 LEU 62 OK 93 99 100 94 2.3-6.2 1.8/5099=42, 5099=40...(15) HD2 ARG 70 - QD2 LEU 62 far 0 73 0 - 6.9-11.7 HD3 ARG 70 - QD2 LEU 62 far 0 78 0 - 7.3-12.3 Violated in 0 structures by 0.00 A. Peak 5959 from cnoeabs.peaks (3.46, 0.87, 24.45 ppm; 4.43 A): 0 out of 0 assignments used, quality = 0.00: Peak 5960 from cnoeabs.peaks (3.61, 0.87, 24.45 ppm; 4.54 A): 0 out of 4 assignments used, quality = 0.00: HD3 PRO 14 - QD1 LEU 29 lone 2 95 30 7 4.3-21.6 3.0/5304=5 HA VAL 65 - QD1 LEU 62 far 0 71 0 - 7.3-8.6 HA VAL 65 - QD1 LEU 86 far 0 58 0 - 8.1-37.0 HA ILE 40 - QD1 LEU 62 far 0 65 0 - 9.3-12.0 Violated in 19 structures by 2.03 A. Peak 5961 from cnoeabs.peaks (3.20, 0.87, 24.45 ppm; 4.71 A): 4 out of 18 assignments used, quality = 0.97: HD2 ARG 26 + QD1 LEU 29 OK 59 76 95 81 2.2-7.4 4.8/4187=27, 6.1/5367=21...(12) HD3 ARG 66 + QD1 LEU 62 OK 58 98 65 92 3.6-7.5 5832=38, 5374/2.1=36...(13) HD3 ARG 26 + QD1 LEU 29 OK 58 78 90 82 3.3-7.2 4.8/4187=27, 5832=22...(12) HD2 ARG 66 + QD1 LEU 62 OK 54 99 60 91 4.5-8.6 5832=39, 5374/2.1=32...(12) HD3 ARG 70 - QD1 LEU 86 far 4 87 5 - 6.0-34.7 HD2 ARG 70 - QD1 LEU 86 far 4 85 5 - 4.9-34.3 HD3 ARG 27 - QD1 LEU 29 far 0 63 0 - 6.2-10.1 HD3 ARG 26 - QD1 LEU 86 far 0 67 0 - 6.8-42.8 HD2 ARG 26 - QD1 LEU 86 far 0 65 0 - 6.9-42.7 HD2 ARG 27 - QD1 LEU 86 far 0 53 0 - 7.3-38.5 HD3 ARG 66 - QD1 LEU 86 far 0 86 0 - 7.3-34.8 HD2 ARG 66 - QD1 LEU 86 far 0 87 0 - 7.3-36.1 HD2 ARG 27 - QD1 LEU 29 far 0 63 0 - 7.3-9.6 HD3 ARG 27 - QD1 LEU 86 far 0 53 0 - 7.4-39.6 HD3 ARG 71 - QD1 LEU 86 far 0 89 0 - 8.1-37.3 HD3 ARG 70 - QD1 LEU 62 far 0 99 0 - 8.8-14.2 HD2 ARG 70 - QD1 LEU 62 far 0 97 0 - 9.3-13.9 HD3 ARG 71 - QD1 LEU 29 far 0 99 0 - 9.8-18.4 Violated in 1 structures by 0.03 A. Peak 5962 from cnoeabs.peaks (8.14, 0.93, 24.73 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.83: H LEU 57 + QD2 LEU 62 OK 83 98 85 100 5.1-7.5 5747/2.1=94, 3.8/4599=75...(5) H ALA 78 - QD2 LEU 62 far 0 99 0 - 9.8-23.6 Violated in 17 structures by 0.69 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 2.8-4.5 4728/2.1=99, 4726/2.1=99...(14) Violated in 0 structures by 0.00 A. Peak 5964 from cnoeabs.peaks (0.81, 1.23, 22.65 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.94: QG2 ILE 68 + QG1 VAL 65 OK 94 100 95 99 4.8-6.1 5249/5035=44, ~4761=35...(25) QD1 LEU 43 - QG1 VAL 65 poor 17 87 20 - 5.7-7.8 QG1 VAL 41 - QG1 VAL 65 far 0 90 0 - 6.9-8.6 QD2 LEU 86 - QG1 VAL 65 far 0 81 0 - 9.2-29.0 QG2 ILE 89 - QG1 VAL 65 far 0 57 0 - 9.8-32.9 Violated in 20 structures by 0.78 A. Peak 5965 from cnoeabs.peaks (0.82, 1.21, 23.08 ppm; 3.83 A): 2 out of 8 assignments used, quality = 0.87: QD2 LEU 64 + QG2 VAL 65 OK 72 73 100 98 2.5-4.5 269/2669=36, 5030=31...(29) QG2 ILE 68 + QG2 VAL 65 OK 54 96 60 93 4.1-6.1 ~4761=23, 4751/3.2=22...(24) QD1 LEU 43 - QG2 VAL 65 far 0 98 0 - 5.4-8.0 QD2 LEU 29 - QG2 VAL 65 far 0 73 0 - 6.9-10.1 QG2 ILE 89 - QG2 VAL 65 far 0 81 0 - 7.8-34.7 QG1 VAL 41 - QG2 VAL 65 far 0 71 0 - 7.8-9.6 QD1 ILE 89 - QG2 VAL 65 far 0 97 0 - 8.0-34.7 QD2 LEU 86 - QG2 VAL 65 far 0 96 0 - 8.9-30.6 Violated in 8 structures by 0.05 A. Peak 5966 from cnoeabs.peaks (7.17, 1.70, 28.91 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 48 + HG3 ARG 66 OK 94 95 100 100 3.8-6.5 2.2/5967=81, 4604/4.1=70...(10) Violated in 8 structures by 0.21 A. Peak 5967 from cnoeabs.peaks (6.96, 1.70, 28.91 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.96: HZ PHE 48 + HG3 ARG 66 OK 96 97 100 100 3.2-6.0 2.2/5966=73...(9) HZ PHE 35 - HG3 ARG 66 far 5 95 5 - 6.8-9.9 QE PHE 35 - HG3 ARG 66 far 5 93 5 - 6.7-9.4 Violated in 4 structures by 0.11 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 = 1.00: HZ PHE 48 + HG2 ARG 66 OK 100 100 100 100 2.0-6.4 4589/1.8=92, 4605/4.1=75...(9) HZ PHE 35 - HG2 ARG 66 far 15 99 15 - 6.1-9.9 QE PHE 35 - HG2 ARG 66 poor 15 99 25 59 6.5-9.6 4582/4956=50...(4) HD22 ASN 42 - HB3 GLN 79 far 4 77 5 - 4.9-29.3 HZ PHE 48 - HB3 GLN 79 far 0 88 0 - 7.5-23.6 Violated in 5 structures by 0.10 A. Peak 5970 from cnoeabs.peaks (0.43, 1.70, 28.91 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 52 + HG3 ARG 66 OK 92 93 100 99 3.3-6.9 4956/1.8=84...(8) Violated in 2 structures by 0.08 A. Peak 5971 from cnoeabs.peaks (7.17, 3.19, 43.48 ppm; 5.25 A): 2 out of 6 assignments used, quality = 0.97: QE PHE 48 + HD2 ARG 66 OK 88 93 95 99 2.3-6.8 5966/3.0=65, ~4589=54...(8) QE PHE 48 + HD3 ARG 66 OK 78 93 85 99 2.0-7.8 5966/3.0=65, ~4589=54...(8) QE PHE 48 - HD3 ARG 70 far 12 82 15 - 5.6-10.3 QE PHE 48 - HD2 ARG 70 far 0 78 0 - 6.8-10.5 QE PHE 48 - HD3 ARG 71 far 0 48 0 - 9.6-13.5 QE PHE 48 - HD2 ARG 27 far 0 38 0 - 9.8-14.3 Violated in 4 structures by 0.11 A. Peak 5972 from cnoeabs.peaks (7.94, 3.19, 43.48 ppm; 5.21 A): 6 out of 32 assignments used, quality = 1.00: H ASP 67 + HD2 ARG 66 OK 95 96 100 100 3.8-6.6 280/3.0=78, 5802/3.0=59...(16) H ASP 67 + HD3 ARG 66 OK 95 95 100 100 4.5-6.6 280/3.0=78, 5802/3.0=59...(16) H ARG 70 + HD3 ARG 70 OK 87 87 100 100 3.4-5.9 770/3.0=86, 6.3=57...(21) H ARG 70 + HD2 ARG 70 OK 83 83 100 100 3.7-5.7 770/3.0=86, 6.3=57...(21) H ASP 67 + HD2 ARG 70 OK 46 81 60 95 5.0-9.1 ~5049=46, ~5052=43...(13) H ASP 67 + HD3 ARG 70 OK 36 84 45 95 4.2-8.3 ~5049=46, ~5052=43...(13) H ARG 70 - HD3 ARG 71 poor 20 52 45 85 4.4-7.6 303/5.8=53, 771/3.0=34...(13) H LEU 29 - HD3 ARG 27 poor 19 42 45 - 5.8-9.0 H ARG 70 - HD2 ARG 66 poor 12 97 30 42 5.7-8.8 3924/5.2=21, 3927/3.0=10...(5) H LEU 29 - HD2 ARG 26 poor 12 48 25 - 5.7-8.3 H VAL 76 - HD3 ARG 70 far 11 77 15 - 5.6-14.0 H VAL 76 - HD2 ARG 70 far 11 73 15 - 4.7-14.6 H LEU 29 - HD3 ARG 26 far 7 50 15 - 5.4-8.2 H VAL 76 - HD3 ARG 71 far 7 44 15 - 3.8-15.5 H LEU 29 - HD2 ARG 27 far 6 42 15 - 6.1-8.2 H ASP 67 - HD3 ARG 71 far 5 50 10 - 6.3-9.4 H ARG 70 - HD3 ARG 66 far 5 97 5 - 6.4-8.6 H ASP 67 - HD2 ARG 27 far 0 40 0 - 6.8-10.5 H LEU 29 - HD3 ARG 17 far 0 28 0 - 6.8-23.4 H ASP 67 - HD3 ARG 27 far 0 40 0 - 7.1-11.3 H LYS 32 - HD3 ARG 27 far 0 45 0 - 7.1-10.4 H LYS 32 - HD2 ARG 27 far 0 45 0 - 7.8-10.6 H LYS 32 - HD3 ARG 17 far 0 30 0 - 7.9-27.2 H LEU 29 - HD2 ARG 17 far 0 28 0 - 8.1-23.6 H LEU 29 - HD2 ARG 23 far 0 36 0 - 8.5-13.2 H ARG 70 - HD2 ARG 27 far 0 41 0 - 8.6-14.0 H LYS 32 - HD2 ARG 17 far 0 30 0 - 8.7-27.6 H LYS 32 - HD3 ARG 26 far 0 53 0 - 8.8-12.2 H LEU 29 - HD3 ARG 71 far 0 53 0 - 9.2-18.1 H ARG 70 - HD3 ARG 27 far 0 41 0 - 9.3-14.8 H LYS 32 - HD2 ARG 26 far 0 52 0 - 9.5-12.8 H LEU 29 - HD3 ARG 23 far 0 36 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 5973 from cnoeabs.peaks (1.83, 3.51, 65.41 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.95: HB2 ARG 71 + HA ILE 68 OK 73 78 100 94 2.0-5.0 4.0/5389=45, 2.8/5985=38...(11) HB3 ARG 71 + HA ILE 68 OK 64 76 90 93 3.0-6.3 4.0/15389=45...(10) HB2 ARG 69 + HA ILE 68 OK 44 63 85 82 5.5-5.8 760/3.6=42, ~4747=15...(11) HB2 ARG 27 - HA ILE 68 far 0 78 0 - 5.7-8.6 HB2 LYS 75 - HA ILE 68 far 0 96 0 - 5.8-14.5 HB3 ARG 27 - HA ILE 68 far 0 76 0 - 6.0-8.5 HB2 LYS 73 - HA ILE 68 far 0 99 0 - 6.0-9.6 HB2 ARG 23 - HA ILE 68 far 0 90 0 - 7.9-12.5 HB3 ARG 23 - HA ILE 68 far 0 89 0 - 8.4-13.3 Violated in 2 structures by 0.01 A. Peak 5974 from cnoeabs.peaks (1.85, 0.78, 13.94 ppm; 3.85 A): 2 out of 13 assignments used, quality = 0.72: HB3 ARG 27 + QD1 ILE 68 OK 54 100 100 54 2.8-5.2 4.3/5909=19, 4.1/5377=11...(9) HB2 ARG 27 + QD1 ILE 68 OK 38 100 80 48 3.2-6.2 4.3/5909=19, 4.1/5377=11...(8) HB2 ARG 71 - QD1 ILE 68 poor 11 100 25 44 3.2-7.6 5392/4.1=17, 4.4/3939=11...(8) HB3 ARG 71 - QD1 ILE 68 far 5 100 5 - 3.6-8.8 HB2 LYS 75 - QD1 ILE 68 far 0 97 0 - 6.5-15.4 HB2 ARG 23 - QD1 ILE 68 far 0 99 0 - 6.5-10.5 HB3 ARG 23 - QD1 ILE 68 far 0 99 0 - 6.6-10.3 HB2 ARG 26 - QD1 ILE 68 far 0 68 0 - 6.7-9.1 HB2 LYS 39 - QD1 ILE 68 far 0 100 0 - 6.9-10.6 HB2 ARG 66 - QD1 ILE 68 far 0 78 0 - 7.0-8.2 HB3 ARG 26 - QD1 ILE 68 far 0 65 0 - 7.5-9.7 HB3 PRO 34 - QD1 ILE 68 far 0 83 0 - 8.4-11.0 HB2 ARG 17 - QD1 ILE 68 far 0 93 0 - 9.5-17.1 Violated in 6 structures by 0.14 A. Peak 5975 from cnoeabs.peaks (2.86, 1.92, 28.80 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.79: HB3 ASP 67 + HG13 ILE 68 OK 79 81 100 98 3.0-5.5 4.6/2770=78, 4746/1.8=37...(8) HB2 PHE 35 - HG13 ILE 68 far 0 99 0 - 8.9-12.1 HB3 PHE 48 - HG13 ILE 68 far 0 81 0 - 10.0-12.8 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 = 0.95: HB2 ASP 24 + HG13 ILE 68 OK 95 100 95 100 3.2-7.6 4760/2.1=100...(12) HB2 GLN 61 - HG13 ILE 68 far 0 57 0 - 8.4-11.5 Violated in 6 structures by 0.26 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 + HD2 ARG 69 OK 99 100 100 100 3.6-6.8 5047/3.9=76, 4766/3.9=71...(11) HA ARG 66 + HD3 ARG 69 OK 99 100 100 100 3.2-6.9 5047/3.9=76, 4766/3.9=71...(11) HA ARG 70 + HD3 ARG 69 OK 79 81 100 99 3.2-6.9 ~5829=53, ~3944=49...(15) HA ARG 70 + HD2 ARG 69 OK 75 81 95 99 2.5-7.3 ~5829=53, ~3944=49...(15) HA VAL 76 - HD3 ARG 69 far 14 95 15 - 5.7-15.0 HA VAL 76 - HD2 ARG 69 far 14 95 15 - 5.9-15.3 HA2 GLY 72 - HD2 ARG 69 poor 14 87 25 64 6.1-10.7 5048/4.6=20, ~5839=16...(11) HA2 GLY 72 - HD3 ARG 69 far 4 87 5 - 5.7-10.7 Violated in 0 structures by 0.00 A. Peak 5978 from cnoeabs.peaks (6.96, 1.80, 29.46 ppm; 5.68 A): 2 out of 4 assignments used, quality = 0.97: HZ PHE 48 + HB2 ARG 69 OK 97 97 100 100 3.1-5.4 2.2/5979=77...(19) QE PHE 35 + HB2 ARG 69 OK 24 93 40 63 6.4-8.7 4578/4303=34...(5) HZ PHE 35 - HB2 ARG 69 far 0 95 0 - 7.7-10.3 HD22 ASN 42 - HB2 ARG 69 far 0 81 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 5979 from cnoeabs.peaks (7.13, 1.80, 29.46 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.76: QE PHE 48 + HB2 ARG 69 OK 76 76 100 100 3.1-5.1 4323/4303=71...(20) 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 3.1-6.4 4784/1.8=82, 4789/3.0=46...(18) QE PHE 48 - HG13 ILE 33 far 3 63 5 - 6.1-10.2 Violated in 2 structures by 0.03 A. Peak 5982 from cnoeabs.peaks (6.94, 1.24, 27.02 ppm; 5.77 A): 3 out of 7 assignments used, quality = 0.98: HZ PHE 48 + HG2 ARG 69 OK 94 99 95 100 3.8-7.3 2.2/5981=79, ~4784=65...(19) QE PHE 35 + HG13 ILE 33 OK 60 63 95 100 4.1-7.4 4583/3.2=96, ~4567=70...(18) HZ PHE 35 + HG13 ILE 33 OK 31 62 50 100 4.2-8.5 4596/3.2=85, ~4583=70...(13) QE PHE 35 - HG2 ARG 69 poor 20 100 20 - 6.5-9.9 HD22 ASN 42 - HG2 ARG 69 far 5 100 5 - 6.5-10.6 HZ PHE 48 - HG13 ILE 33 far 3 61 5 - 7.2-11.4 HZ PHE 35 - HG2 ARG 69 far 0 100 0 - 8.1-11.3 Violated in 2 structures by 0.01 A. Peak 5983 from cnoeabs.peaks (1.39, 4.00, 58.60 ppm; 4.62 A): 3 out of 10 assignments used, quality = 1.00: HB3 ARG 69 + HA ARG 70 OK 98 99 100 99 3.7-5.7 ~297=45, 298/2.9=41...(16) HG3 ARG 69 + HA ARG 70 OK 85 96 90 99 3.1-6.2 3944/2.9=58, ~5829=48...(17) HG3 LYS 73 + HA ARG 70 OK 46 100 50 92 3.1-7.0 2.9/5061=64...(9) QB ALA 78 - HA ARG 70 far 15 100 15 - 4.6-16.1 HG3 LYS 75 - HA ARG 70 far 10 100 10 - 3.7-11.7 HG2 LYS 75 - HA ARG 70 far 5 100 5 - 4.7-12.5 QB ALA 77 - HA ARG 70 lone 1 95 45 2 3.3-12.7 HG2 LYS 83 - HA ARG 70 far 0 83 0 - 7.0-27.8 QB ALA 16 - HA ARG 70 far 0 60 0 - 7.6-25.7 QB ALA 20 - HA ARG 70 far 0 97 0 - 9.5-20.3 Violated in 1 structures by 0.01 A. Peak 5984 from cnoeabs.peaks (1.79, 4.00, 58.60 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.97: HB2 ARG 69 + HA ARG 70 OK 79 99 85 94 4.2-5.6 297/2.9=54, ~5829=26...(12) HB3 LYS 73 + HA ARG 70 OK 73 87 95 89 2.2-5.6 1.8/5061=60, 788/5987=52...(11) HB2 LYS 73 + HA ARG 70 OK 37 65 70 82 3.3-6.3 4.0/5987=48, 5061=43...(11) HB3 LYS 75 - HA ARG 70 far 5 99 5 - 5.6-10.0 HB2 LYS 83 - HA ARG 70 far 0 93 0 - 7.0-25.9 HB3 ARG 84 - HA ARG 70 far 0 99 0 - 8.8-31.6 Violated in 4 structures by 0.03 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 2.3-6.5 5389/779=82, 5845/5.0=61...(8) Violated in 3 structures by 0.07 A. Peak 5990 from cnoeabs.peaks (0.91, 2.78, 38.52 ppm; 5.94 A): 3 out of 17 assignments used, quality = 0.59: QG1 VAL 76 + HB3 ASN 80 OK 33 58 65 89 4.2-12.1 6022/3.5=85...(5) QG1 VAL 76 + HB3 ASN 74 OK 21 92 50 46 3.5-8.8 3.9/5855=28, 5850/4.6=18...(4) QG2 VAL 76 + HB3 ASN 74 OK 21 92 50 46 4.6-9.1 3.9/5855=28, 5850/4.6=18...(4) QG2 VAL 41 - HB2 ASN 74 poor 14 28 50 - 6.6-7.9 QG1 VAL 76 - HB2 ASN 74 poor 12 48 55 47 4.3-8.6 3.9/5855=31, 5850/4.6=18...(4) QG2 VAL 76 - HB2 ASN 74 poor 11 48 50 46 4.7-9.6 3.9/5855=31, 5850/4.6=18...(4) QG2 VAL 76 - HB3 ASN 80 poor 7 58 50 23 1.9-12.5 5437/15875=15...(3) QG2 VAL 41 - HB3 ASN 74 lone 5 60 55 17 6.4-8.6 5850/4.6=10, 5834/3974=3 QD1 LEU 86 - HB3 ASN 80 far 3 53 5 - 7.3-18.8 QD2 LEU 62 - HB3 ASN 80 far 2 43 5 - 5.3-25.5 QG2 ILE 40 - HB2 ASN 74 far 0 35 0 - 7.8-11.1 QG2 VAL 41 - HB3 ASN 80 far 0 34 0 - 8.4-17.9 QG2 ILE 40 - HB3 ASN 74 far 0 73 0 - 8.5-12.3 QG2 ILE 40 - HB3 ASN 80 far 0 43 0 - 9.1-19.6 HG12 ILE 68 - HB3 ASN 74 far 0 92 0 - 9.3-14.6 QG2 VAL 90 - HB2 ASN 74 far 0 55 0 - 9.6-36.6 HG12 ILE 68 - HB2 ASN 74 far 0 48 0 - 9.9-13.4 Violated in 4 structures by 0.05 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 2.2-4.0 3.8=100 H LEU 86 - HB3 ASN 80 far 5 100 5 - 6.5-19.7 H ASN 80 - HB3 ASN 74 far 0 56 0 - 8.1-16.5 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 5 assignments used, quality = 0.76: H ARG 84 + HB3 LYS 83 OK 60 60 100 100 1.9-4.4 4.3=100 H ARG 84 + HB3 LYS 85 OK 41 59 90 77 4.5-6.8 3.0/6062=38, 4.6/851=34...(8) H GLN 79 - HB3 LYS 83 far 0 96 0 - 8.2-14.9 H ALA 77 - HB3 LYS 83 far 0 100 0 - 8.9-19.0 H GLN 79 - HB3 LYS 85 far 0 94 0 - 9.3-20.1 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 32 assignments used, quality = 1.00: HA ARG 82 + HD2 ARG 82 OK 89 92 100 97 2.0-4.9 5885/3.0=68, 4.9=61...(9) HA ARG 84 + HD3 ARG 84 OK 82 83 100 100 2.0-5.5 5.1=54, 3.0/3418=40...(41) HA ARG 84 + HD2 ARG 84 OK 82 83 100 100 2.6-4.8 5.1=54, 3.0/3418=40...(41) HB THR 15 - HD3 ARG 17 poor 19 96 20 - 3.6-10.1 HA ARG 82 - HD3 ARG 84 far 5 96 5 - 3.4-10.5 HA LEU 29 - HD3 ARG 17 far 5 96 5 - 5.3-26.0 HA ARG 82 - HD2 ARG 84 far 5 95 5 - 4.1-9.9 HB THR 15 - HD2 ARG 17 lone 0 96 25 2 3.9-10.1 HA LEU 29 - HD2 ARG 17 far 0 96 0 - 6.2-26.3 HA ARG 84 - HD2 ARG 82 far 0 79 0 - 6.2-9.9 HA ALA 30 - HD3 ARG 26 far 0 34 0 - 6.3-10.5 HB THR 15 - HD2 ARG 71 far 0 98 0 - 6.5-34.5 HA ALA 30 - HD3 ARG 27 far 0 43 0 - 6.7-10.4 HA ALA 30 - HD2 ARG 26 far 0 35 0 - 6.8-11.2 HA ARG 84 - HD2 ARG 26 far 0 52 0 - 6.9-43.2 HA LEU 29 - HD2 ARG 26 far 0 70 0 - 7.1-10.6 HA ALA 30 - HD2 ARG 27 far 0 43 0 - 7.1-11.0 HA LEU 29 - HD3 ARG 26 far 0 67 0 - 7.6-10.2 HB THR 15 - HD3 ARG 26 far 0 68 0 - 7.9-23.9 HA LYS 73 - HD2 ARG 71 far 0 92 0 - 8.0-10.8 HB THR 15 - HD2 ARG 26 far 0 70 0 - 8.1-23.6 HA LEU 29 - HD3 ARG 27 far 0 82 0 - 8.1-11.2 HA ARG 84 - HD2 ARG 71 far 0 78 0 - 8.5-36.4 HA ARG 84 - HD3 ARG 26 far 0 50 0 - 8.5-43.2 HA LEU 29 - HD2 ARG 27 far 0 82 0 - 8.6-10.5 HA ILE 89 - HD2 ARG 84 far 0 100 0 - 8.7-18.9 HA ALA 30 - HD2 ARG 23 far 0 49 0 - 8.8-16.0 HA LYS 73 - HD2 ARG 82 far 0 93 0 - 8.9-23.9 HA ILE 89 - HD3 ARG 84 far 0 100 0 - 9.2-18.9 HA ALA 30 - HD3 ARG 17 far 0 54 0 - 9.3-27.3 HA ASN 49 - HD2 ARG 82 far 0 64 0 - 9.5-36.7 HA ALA 30 - HD2 ARG 17 far 0 54 0 - 9.9-27.5 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 3.3-4.6 4.6=100 H LEU 86 - HB3 LYS 83 far 5 100 5 - 5.9-10.7 H ASN 80 - HB3 LYS 83 far 4 83 5 - 5.8-13.2 H ASN 80 - HB3 LYS 85 far 0 85 0 - 6.9-18.2 Violated in 0 structures by 0.00 A. Peak 5996 from cnoeabs.peaks (4.31, 2.21, 36.01 ppm; 4.48 A): 6 out of 14 assignments used, quality = 1.00: HA GLU 87 + HG2 GLU 87 OK 97 97 100 100 2.4-4.2 4.0=100 HA GLU 87 + HG3 GLU 87 OK 97 97 100 100 2.3-4.2 4.0=100 HA LEU 86 + HG3 GLU 87 OK 37 100 65 57 4.0-6.5 3.6/870=30, 3568/3.0=24...(4) HA LEU 86 + HG2 GLU 87 OK 37 100 65 57 3.8-6.7 3.6/870=30, 3568/3.0=24...(4) HA THR 88 + HG3 GLU 87 OK 23 68 65 52 4.2-6.7 3.0/5921=20, ~5921=18...(6) HA THR 88 + HG2 GLU 87 OK 21 68 60 52 3.7-7.2 3.0/5921=20, ~5921=18...(6) HA ARG 17 - HG3 GLU 19 poor 10 51 20 - 4.5-10.1 HA ARG 17 - HG2 GLU 19 far 5 51 10 - 5.4-10.5 HA ALA 16 - HG3 GLU 19 far 4 90 5 - 4.6-12.8 HA ALA 16 - HG2 GLU 19 far 4 90 5 - 5.9-12.1 HA ASP 38 - HG2 GLU 19 far 3 53 5 - 4.7-22.1 HA ASP 38 - HG3 GLU 19 far 3 53 5 - 5.5-22.1 HA PRO 34 - HG3 GLU 19 far 0 85 0 - 8.0-27.7 HA PRO 34 - HG2 GLU 19 far 0 85 0 - 9.3-26.6 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 2.3-2.9 3.0=100 H LYS 85 - HA THR 88 far 0 68 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 5998 from cnoeabs.peaks (8.16, 0.84, 17.06 ppm; 5.47 A): 2 out of 6 assignments used, quality = 0.94: H ILE 89 + QG2 ILE 89 OK 90 90 100 100 2.0-3.9 4.0=100 H THR 88 + QG2 ILE 89 OK 40 68 95 61 4.3-7.0 ~5904=29, ~3588=19...(5) H ASN 74 - QG2 ILE 89 far 0 100 0 - 8.7-34.7 H ARG 27 - QG2 ILE 89 far 0 81 0 - 8.9-46.5 H ALA 78 - QG2 ILE 89 far 0 98 0 - 9.0-27.9 H ARG 26 - QG2 ILE 89 far 0 68 0 - 9.6-46.1 Violated in 0 structures by 0.00 A. Peak 5999 from cnoeabs.peaks (6.79, 3.03, 38.06 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 81 + HB2 TYR 81 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 6000 from cnoeabs.peaks (6.79, 7.08, 133.08 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.98: * QE TYR 81 + QD TYR 81 OK 98 98 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 6001 from cnoeabs.peaks (7.08, 7.08, 133.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QD TYR 81 + QD TYR 81 OK 98 98 - 100 Peak 6002 from cnoeabs.peaks (7.08, 6.79, 117.91 ppm; 2.93 A): 1 out of 3 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 - 6.6-8.3 QD PHE 48 - QE TYR 81 far 0 95 0 - 6.8-21.7 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 3 assignments used, quality = 0.98: HA TYR 81 + QD TYR 81 OK 98 98 100 100 2.3-3.6 3.7=100 HA SER 22 - QD TYR 81 far 5 94 5 - 5.9-26.9 HA ASP 67 - QD TYR 81 far 0 80 0 - 8.5-22.6 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 2.3-2.8 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 7 assignments used, quality = 0.98: HB3 TYR 81 + QD TYR 81 OK 98 98 100 100 2.3-2.8 2.5=100 HE2 LYS 73 - QD TYR 81 far 7 69 10 - 3.4-17.7 HE3 LYS 73 - QD TYR 81 far 3 66 5 - 4.6-16.9 HE2 LYS 39 - QD TYR 81 far 0 98 0 - 8.2-26.3 HE3 LYS 39 - QD TYR 81 far 0 98 0 - 8.4-26.5 HE2 LYS 75 - QD TYR 81 far 0 86 0 - 8.5-17.6 HE3 LYS 75 - QD TYR 81 far 0 84 0 - 9.8-16.9 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 6 assignments used, quality = 0.96: HA ALA 78 + QE TYR 81 OK 77 86 90 100 3.7-7.5 2.1/4686=90, 6048/2.2=73...(8) HA GLN 79 + QE TYR 81 OK 65 97 70 96 2.5-9.9 3.0/4681=76, 5.0/4686=57...(7) HA ARG 82 + QE TYR 81 OK 51 92 60 93 4.2-8.0 ~4683=56, 5868/2.2=39...(7) HA ARG 84 - QE TYR 81 far 5 98 5 - 6.1-13.0 HA LYS 73 - QE TYR 81 far 5 95 5 - 6.4-18.9 HA ALA 53 - QE TYR 55 far 0 37 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 6009 from cnoeabs.peaks (4.08, 2.78, 38.52 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.94: * HA ARG 71 + HB3 ASN 74 OK 88 100 95 93 3.1-7.8 6078/3.5=59, 5836=49...(8) HA ARG 71 + HB2 ASN 74 OK 53 57 100 93 3.7-6.3 6078/3.5=59, 5836/1.8=49...(8) HA ARG 71 - HB3 ASN 80 far 0 69 0 - 7.6-24.0 HA VAL 90 - HB2 ASN 74 far 0 57 0 - 9.3-44.3 HA ALA 63 - HB3 ASN 80 far 0 59 0 - 9.6-32.6 Violated in 2 structures by 0.07 A. Peak 6010 from cnoeabs.peaks (4.08, 2.81, 38.52 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.96: * HA ARG 71 + HB2 ASN 74 OK 92 100 100 92 3.7-6.3 6078/3.5=57, 5836/1.8=48...(8) HA ARG 71 + HB3 ASN 74 OK 50 57 95 91 3.1-7.8 6078/3.5=57, 5836=47...(8) HA VAL 90 - HB2 ASN 74 far 0 100 0 - 9.3-44.3 Violated in 2 structures by 0.08 A. Peak 6011 from cnoeabs.peaks (3.97, 1.97, 28.98 ppm; 4.82 A): 2 out of 10 assignments used, quality = 0.68: * HA VAL 76 + HB2 GLN 79 OK 51 100 55 93 2.0-11.0 6044=54, 6044/1.8=42...(8) HA VAL 76 + HB3 GLN 79 OK 35 63 60 92 2.8-10.3 6044/1.8=50, 6044=46...(7) HA2 GLY 21 - HB2 GLN 79 far 5 90 5 - 4.1-35.0 HA3 GLY 21 - HB2 GLN 79 far 4 89 5 - 4.1-35.8 HA ARG 66 - HB3 GLN 79 far 3 59 5 - 5.3-22.3 HA2 GLY 21 - HB3 GLN 79 far 3 51 5 - 3.2-34.0 HA3 GLY 21 - HB3 GLN 79 far 2 50 5 - 2.7-34.7 HA ARG 66 - HB2 GLN 79 far 0 98 0 - 6.9-21.7 HA2 GLY 72 - HB3 GLN 79 far 0 62 0 - 8.4-19.9 HA2 GLY 72 - HB2 GLN 79 far 0 100 0 - 8.9-19.9 Violated in 11 structures by 1.34 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 ASN 74 - HB3 ASN 80 far 10 100 10 - 3.7-19.6 HA ASN 80 - HB3 ASN 74 far 0 64 0 - 8.8-18.6 Violated in 0 structures by 0.00 A. Peak 6031 from cnoeabs.peaks (3.97, 1.84, 32.59 ppm; 4.72 A): 3 out of 8 assignments used, quality = 1.00: HA VAL 76 + HB2 LYS 75 OK 100 100 100 100 3.9-5.4 3.0/340=83, 5853=66...(19) HA2 GLY 72 + HB2 LYS 73 OK 65 75 90 96 4.4-6.3 3.6/787=68, 5844=59...(12) * HA2 GLY 72 + HB2 LYS 75 OK 23 100 35 67 2.9-11.2 15851/4.0=49, 5844=17...(7) HA2 GLY 21 - HB2 LYS 75 far 5 90 5 - 5.5-24.7 HA3 GLY 21 - HB2 LYS 75 far 4 89 5 - 3.8-25.0 HA VAL 76 - HB2 LYS 73 far 0 77 0 - 6.6-12.6 HA ARG 66 - HB2 LYS 73 far 0 73 0 - 7.7-12.5 HA ARG 66 - HB2 LYS 39 far 0 83 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 6032 from cnoeabs.peaks (3.96, 1.79, 32.59 ppm; 5.19 A): 4 out of 15 assignments used, quality = 1.00: HA VAL 76 + HB3 LYS 75 OK 100 100 100 100 4.3-6.1 5853/1.8=78, 3.0/341=70...(19) HA2 GLY 72 + HB3 LYS 73 OK 92 93 100 99 4.6-6.1 3.6/788=89, 5844/1.8=71...(12) HA THR 37 + HB3 LYS 39 OK 35 56 75 83 4.8-7.2 4308/130=52, 5603/594=36...(8) * HA2 GLY 72 + HB3 LYS 75 OK 27 100 35 78 2.4-12.7 15851/4.0=59...(8) HA VAL 76 - HB3 LYS 73 poor 18 91 20 - 5.4-11.4 HA2 GLY 21 - HB3 LYS 75 far 5 97 5 - 6.5-26.2 HA3 GLY 21 - HB3 LYS 75 far 5 96 5 - 4.8-24.9 HA LYS 32 - HB2 LYS 13 lone 0 81 30 2 4.5-29.3 HA ARG 66 - HB3 LYS 73 far 0 82 0 - 7.7-11.1 HA THR 37 - HB3 LYS 73 far 0 55 0 - 8.1-12.3 HA THR 37 - HB3 LYS 75 far 0 65 0 - 8.3-18.1 HA ALA 28 - HB2 LYS 13 far 0 90 0 - 8.5-24.8 HA ARG 66 - HB3 LYS 39 far 0 83 0 - 9.7-13.8 HA ALA 28 - HB3 LYS 39 far 0 92 0 - 9.7-13.9 HA THR 37 - HB2 LYS 85 far 0 55 0 - 9.8-36.3 Violated in 0 structures by 0.00 A. Peak 6033 from cnoeabs.peaks (8.09, 3.74, 46.02 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.92: H ARG 71 + HA3 GLY 72 OK 87 89 100 98 4.7-5.4 5397/3.0=86, 6034/1.8=54...(10) H LYS 75 + HA3 GLY 72 OK 36 100 40 91 2.9-9.7 15851/1.8=88...(4) Violated in 0 structures by 0.00 A. Peak 6034 from cnoeabs.peaks (8.10, 3.96, 46.02 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.99: H ARG 71 + HA2 GLY 72 OK 98 99 100 100 4.6-5.4 5397/3.0=96, 6033/1.8=55...(14) H LYS 75 + HA2 GLY 72 OK 45 99 45 100 2.9-9.9 15851=99, 4.0/16031=69...(9) Violated in 0 structures by 0.00 A. Peak 6036 from cnoeabs.peaks (1.83, 3.74, 46.02 ppm; 4.93 A): 4 out of 9 assignments used, quality = 1.00: HB2 LYS 73 + HA3 GLY 72 OK 99 100 100 99 5.4-6.4 787/3.6=86, 5844/1.8=66...(12) HB2 ARG 71 + HA3 GLY 72 OK 64 68 100 94 4.0-5.2 4.0/6033=35, ~314=31...(14) HB3 ARG 71 + HA3 GLY 72 OK 61 65 100 94 4.1-5.7 4.0/6033=35, ~313=31...(13) HB2 LYS 75 + HA3 GLY 72 OK 29 90 35 93 2.7-11.2 16031/1.8=76, ~16032=57...(8) HB2 ARG 69 - HA3 GLY 72 far 4 73 5 - 6.1-8.6 HB2 ARG 23 - HA3 GLY 72 far 0 83 0 - 7.0-13.3 HB3 ARG 27 - HA3 GLY 72 far 0 65 0 - 7.2-13.1 HB2 ARG 27 - HA3 GLY 72 far 0 68 0 - 7.3-13.3 HB3 ARG 23 - HA3 GLY 72 far 0 81 0 - 7.9-13.4 Violated in 0 structures by 0.00 A. Peak 6037 from cnoeabs.peaks (2.04, 4.18, 56.67 ppm; 4.17 A): 1 out of 17 assignments used, quality = 0.33: * HB VAL 76 + HA LYS 73 OK 33 99 35 95 3.6-10.9 15432=81, 813/5431=49...(9) HD3 ARG 69 - HA LYS 73 far 5 91 5 - 4.7-10.1 HD2 ARG 69 - HA LYS 73 far 5 91 5 - 5.5-9.6 HB3 MET 31 - HA LEU 29 far 2 41 5 - 5.5-7.5 HB3 GLU 19 - HA LEU 29 far 0 68 0 - 6.0-21.1 HB3 GLU 25 - HA LEU 29 far 0 65 0 - 6.3-8.8 HB2 GLU 25 - HA LEU 29 far 0 66 0 - 6.6-9.1 HB3 GLU 25 - HA ARG 84 far 0 93 0 - 6.6-38.8 HB2 GLU 25 - HA ARG 84 far 0 94 0 - 7.1-38.9 HB VAL 90 - HA LEU 29 far 0 41 0 - 7.2-56.9 HB2 GLU 87 - HA ARG 84 far 0 89 0 - 7.5-12.5 HB VAL 76 - HA ARG 82 far 0 54 0 - 8.4-17.3 HB2 GLU 87 - HA LEU 29 far 0 62 0 - 9.3-49.1 HB VAL 45 - HA LYS 73 far 0 78 0 - 9.8-14.6 HG2 PRO 44 - HA ARG 82 far 0 53 0 - 9.8-31.9 HB VAL 45 - HA ARG 82 far 0 37 0 - 9.8-30.3 HD3 ARG 69 - HA ARG 82 far 0 46 0 - 9.8-27.2 Violated in 18 structures by 3.00 A. Peak 6038 from cnoeabs.peaks (7.96, 4.18, 56.67 ppm; 3.52 A): 4 out of 6 assignments used, quality = 0.92: 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...(16) H LYS 32 + HA LEU 29 OK 35 55 100 64 2.9-4.1 79/3.6=20, 89/5526=13...(9) H VAL 76 + HA LYS 73 OK 32 99 40 80 3.2-9.6 813/6037=42, 5431=39...(11) H ARG 70 - HA LYS 73 far 0 98 0 - 6.3-8.1 H ARG 69 - HA LYS 73 far 0 71 0 - 6.4-9.1 Violated in 0 structures by 0.00 A. Peak 6040 from cnoeabs.peaks (4.62, 1.38, 18.78 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.62: * HA ASN 74 + QB ALA 77 OK 62 100 75 83 2.4-10.3 6041=60, 16039/2.9=31...(8) HA PRO 36 - QB ALA 16 poor 18 59 30 - 3.4-19.5 HA ASN 80 - QB ALA 78 poor 16 90 30 60 3.3-6.8 6041=15, 3.0/5874=11...(11) HA ASN 74 - QB ALA 78 far 9 92 10 - 3.6-13.4 HA ASN 80 - QB ALA 77 far 5 99 5 - 3.5-8.4 HA PRO 36 - QB ALA 20 far 0 98 0 - 6.8-12.4 HA ASN 74 - QB ALA 20 far 0 100 0 - 7.7-21.0 HA ASN 74 - QB ALA 16 far 0 63 0 - 8.6-27.4 Violated in 13 structures by 1.37 A. Peak 6041 from cnoeabs.peaks (1.38, 4.62, 53.40 ppm; 3.64 A): 1 out of 19 assignments used, quality = 0.75: * QB ALA 77 + HA ASN 74 OK 75 100 75 100 2.4-10.3 16040=100, 2.9/6039=36...(8) QB ALA 78 - HA ASN 80 poor 19 93 30 67 3.3-6.8 6040=21, ~6154=12...(11) HG3 LYS 75 - HA ASN 74 far 14 93 15 - 3.2-7.3 HG2 LYS 83 - HA ASN 80 poor 12 97 25 51 2.6-13.5 2.9/6055=24, 4.6/6056=21...(6) QB ALA 77 - HA ASN 80 far 10 99 10 - 3.5-8.4 QB ALA 78 - HA ASN 74 far 10 96 10 - 3.6-13.4 HG3 LYS 73 - HA ASN 74 far 10 96 10 - 3.7-6.6 HG2 LYS 75 - HA ASN 74 far 9 93 10 - 4.3-7.6 HG3 LYS 73 - HA ASN 80 far 0 93 0 - 5.2-18.7 HG3 ARG 69 - HA ASN 74 far 0 100 0 - 6.8-11.8 HB3 ARG 69 - HA ASN 74 far 0 85 0 - 7.0-12.2 HG2 LYS 85 - HA ASN 80 far 0 99 0 - 7.2-17.6 QB ALA 20 - HA ASN 74 far 0 100 0 - 7.7-21.0 QB ALA 16 - HA ASN 74 far 0 90 0 - 8.6-27.4 HG3 ARG 69 - HA ASN 80 far 0 99 0 - 8.8-22.4 HG2 LYS 83 - HA ASN 74 far 0 99 0 - 9.0-24.2 HG3 LYS 75 - HA ASN 80 far 0 91 0 - 9.0-18.2 HG2 LYS 75 - HA ASN 80 far 0 91 0 - 9.3-17.7 QB ALA 53 - HA ASN 80 far 0 86 0 - 9.5-29.3 Violated in 6 structures by 1.28 A. Peak 6044 from cnoeabs.peaks (1.97, 3.97, 62.83 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.56: * HB2 GLN 79 + HA VAL 76 OK 36 100 40 91 2.0-11.0 16011=66, 3.0/5864=28...(8) HB3 GLN 79 + HA VAL 76 OK 30 63 55 88 2.8-10.3 1.8/16011=61...(7) HB2 ARG 70 - HA VAL 76 far 5 96 5 - 4.4-14.3 HB3 ARG 70 - HA VAL 76 far 5 96 5 - 4.7-14.0 HB3 ARG 66 - HA VAL 76 far 0 71 0 - 9.8-19.6 Violated in 12 structures by 1.68 A. Peak 6046 from cnoeabs.peaks (2.75, 4.23, 52.70 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.61: HB3 ASN 80 + HA ALA 77 OK 49 99 50 100 2.9-11.2 15875=94, 1.8/5859=86...(9) HB3 ASN 80 + HA ALA 78 OK 23 52 50 87 4.7-8.3 4.4/15882=28...(10) HB2 ASN 42 - HA ALA 78 far 0 51 0 - 6.5-25.8 HB3 ASN 42 - HA ALA 78 far 0 50 0 - 7.1-24.7 HB2 ASN 42 - HA ALA 77 far 0 99 0 - 9.7-25.1 HB3 ASN 42 - HA ALA 77 far 0 97 0 - 9.7-24.2 Violated in 12 structures by 1.21 A. Peak 6048 from cnoeabs.peaks (7.08, 4.21, 52.88 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.95: QD TYR 81 + HA ALA 78 OK 95 100 95 100 2.0-8.1 2.5/5862=83, 2.5/6049=80...(9) QD TYR 81 - HA ALA 77 poor 11 57 20 - 3.7-9.2 QD PHE 48 - HA ALA 78 far 0 98 0 - 7.9-20.2 QD PHE 48 - HA ALA 77 far 0 53 0 - 8.2-19.3 Violated in 4 structures by 0.19 A. Peak 6049 from cnoeabs.peaks (2.98, 4.21, 52.88 ppm; 4.67 A): 1 out of 10 assignments used, quality = 0.95: HB3 TYR 81 + HA ALA 78 OK 95 100 95 100 2.2-10.6 15459=98, 1.8/5862=83...(6) HB3 TYR 81 - HA ALA 77 poor 14 57 25 - 4.2-9.5 HE2 LYS 73 - HA ALA 78 far 7 73 10 - 4.3-18.5 HE3 LYS 73 - HA ALA 78 far 4 71 5 - 5.5-16.8 HE2 LYS 73 - HA ALA 77 far 3 35 10 - 4.9-17.2 HE3 LYS 73 - HA ALA 77 far 2 33 5 - 5.8-15.5 HE3 LYS 75 - HA ALA 77 far 0 45 0 - 7.8-12.1 HE2 LYS 75 - HA ALA 77 far 0 46 0 - 8.2-12.7 HE2 LYS 75 - HA ALA 78 far 0 90 0 - 8.7-16.0 HE3 LYS 75 - HA ALA 78 far 0 89 0 - 9.4-15.0 Violated in 2 structures by 0.30 A. Peak 6050 from cnoeabs.peaks (8.04, 4.20, 56.12 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.94: 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 60 100 95 63 3.3-6.5 5882=29, 4.5/5868=22...(6) H TYR 81 + HA ARG 82 OK 39 74 75 70 5.1-6.4 ~5474=37, 4.5/4675=20...(6) H ARG 82 - HA GLN 79 poor 20 100 20 - 3.8-10.3 Violated in 0 structures by 0.00 A. Peak 6051 from cnoeabs.peaks (1.77, 4.20, 56.12 ppm; 3.27 A): 1 out of 8 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 poor 15 65 55 42 4.3-5.8 361/3.6=18, 2979=15...(6) HB3 ARG 82 - HA GLN 79 far 10 100 10 - 4.5-12.8 HB3 LYS 73 - HA GLN 79 far 0 98 0 - 6.2-18.5 HB2 LYS 83 - HA GLN 79 far 0 95 0 - 6.5-12.8 HB3 LYS 75 - HA GLN 79 far 0 85 0 - 7.7-13.4 HB3 LYS 73 - HA ARG 82 far 0 70 0 - 9.2-20.2 HG3 ARG 26 - HA GLN 79 far 0 83 0 - 9.3-30.4 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 HB3 ASN 80 - HA ASN 74 far 10 99 10 - 3.7-19.6 HB3 ASN 74 - HA ASN 80 far 0 60 0 - 8.8-18.6 HB2 ASN 42 - HA ASN 80 far 0 100 0 - 9.0-27.6 Violated in 0 structures by 0.00 A. Peak 6053 from cnoeabs.peaks (1.77, 4.62, 53.37 ppm; 4.51 A): 3 out of 11 assignments used, quality = 0.95: HB3 LYS 73 + HA ASN 74 OK 75 99 100 76 3.8-5.4 325/3.0=41, ~324=36...(7) HB3 LYS 75 + HA ASN 74 OK 62 93 95 69 4.6-6.1 804/3.6=30, 3965/3.0=22...(9) HB2 LYS 83 + HA ASN 80 OK 45 99 60 75 2.2-11.2 1.8/6055=49, 4.0/6056=42...(5) HB3 ARG 82 - HA ASN 80 far 15 98 15 - 4.4-8.8 HB3 LYS 73 - HA ASN 80 far 5 100 5 - 4.3-17.0 HG3 ARG 71 - HA ASN 74 far 4 74 5 - 5.9-10.0 HB2 LYS 85 - HA ASN 80 far 0 63 0 - 6.3-18.2 HB2 ARG 69 - HA ASN 74 far 0 61 0 - 6.7-12.0 HB2 LYS 83 - HA ASN 74 far 0 98 0 - 7.3-22.8 HB3 ARG 84 - HA ASN 80 far 0 63 0 - 7.9-13.3 HG3 ARG 71 - HA ASN 80 far 0 76 0 - 7.9-26.2 Violated in 4 structures by 0.04 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): 1 out of 4 assignments used, quality = 0.30: HA ASN 80 + HB3 LYS 83 OK 30 96 40 79 3.1-11.7 6056/4.0=66, 6053/1.8=23...(5) HA ASN 80 - HB3 LYS 85 far 5 97 5 - 5.0-17.2 HA ASN 74 - HB3 LYS 83 far 0 87 0 - 7.3-24.2 HA PRO 36 - HB3 LYS 85 far 0 68 0 - 8.8-41.1 Violated in 16 structures by 2.06 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 7 45 15 - 5.9-25.2 HA SER 22 - HB3 ARG 84 far 4 89 5 - 4.7-39.9 HA PRO 14 - HB2 LYS 32 far 0 45 0 - 7.0-23.7 HA TYR 81 - HB3 ARG 84 far 0 100 0 - 7.8-12.7 HA PRO 14 - HB2 PRO 34 far 0 65 0 - 10.0-26.1 Violated in 19 structures by 3.06 A. Peak 6059 from cnoeabs.peaks (1.81, 4.46, 58.30 ppm; 5.65 A): 0 out of 7 assignments used, quality = 0.00: HB2 LYS 83 - HA TYR 81 poor 10 68 50 29 3.7-8.7 4.0/5501=22, 6053/4.8=4 HB3 ARG 84 - HA SER 22 far 5 94 5 - 4.7-39.9 HB3 LYS 75 - HA SER 22 far 4 75 5 - 6.8-23.8 HB2 LYS 73 - HA TYR 81 far 0 92 0 - 7.6-17.4 HB3 ARG 84 - HA TYR 81 far 0 100 0 - 7.8-12.7 HB2 LYS 85 - HA SER 22 far 0 94 0 - 9.2-40.9 HB2 LYS 83 - HA SER 22 far 0 61 0 - 9.7-37.2 Violated in 16 structures by 1.07 A. Peak 6060 from cnoeabs.peaks (8.19, 4.46, 58.30 ppm; 5.06 A): 2 out of 9 assignments used, quality = 0.98: H GLU 25 + HA SER 22 OK 91 93 100 98 3.1-5.1 5085/3.0=72, 5084/3.0=60...(8) 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 16 78 40 51 4.7-7.3 ~5882=15, ~6050=15...(6) H ARG 84 - HA TYR 81 far 10 100 10 - 5.7-9.6 H ARG 27 - HA SER 22 far 8 83 10 - 6.3-8.7 H ARG 84 - HA SER 22 far 5 94 5 - 6.0-37.0 H GLN 79 - HA SER 22 far 4 70 5 - 6.4-28.8 H ALA 28 - HA SER 22 far 0 77 0 - 7.5-10.0 H SER 22 - HA TYR 81 far 0 89 0 - 8.1-31.5 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 24 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 2.6-3.0 3.0=100 HA ARG 84 - HB2 LYS 85 far 15 100 15 - 4.4-5.7 HA LYS 73 - HB3 LYS 75 far 13 90 15 - 4.0-9.4 HA ARG 82 - HB2 LYS 83 poor 12 77 50 31 4.3-5.8 3.6/832=14, 6062/1.8=8...(6) HA ARG 84 - HB2 LYS 83 poor 11 81 25 54 4.4-5.8 6062/1.8=19, 3.0/368=17...(7) HA LEU 29 - HB2 LYS 13 far 5 55 10 - 4.3-28.3 HA ALA 78 - HB2 LYS 73 far 3 54 5 - 4.4-16.5 HB THR 15 - HB2 LYS 13 far 0 69 0 - 5.3-9.7 HA ALA 78 - HB3 LYS 73 far 0 45 0 - 6.2-15.2 HA GLN 79 - HB3 LYS 73 far 0 58 0 - 6.2-18.5 HA GLN 79 - HB2 LYS 83 far 0 72 0 - 6.5-12.8 HA ALA 78 - HB2 LYS 83 far 0 56 0 - 7.0-13.2 HA GLN 79 - HB2 LYS 73 far 0 69 0 - 7.2-20.0 HB THR 15 - HB3 LYS 39 far 0 60 0 - 7.3-31.2 HA ARG 82 - HB2 LYS 85 far 0 99 0 - 7.7-12.7 HA GLN 79 - HB3 LYS 75 far 0 83 0 - 7.7-13.4 HA LYS 73 - HB2 LYS 83 far 0 78 0 - 8.2-25.9 HA ALA 78 - HB3 LYS 75 far 0 66 0 - 8.2-12.5 HA ARG 82 - HB2 LYS 73 far 0 75 0 - 8.4-21.3 HA ARG 82 - HB3 LYS 73 far 0 63 0 - 9.2-20.2 HA LEU 29 - HB2 LYS 85 far 0 73 0 - 9.2-43.8 HA GLN 79 - HB2 LYS 85 far 0 95 0 - 9.6-19.8 HA ILE 89 - HB2 LYS 85 far 0 92 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 6062 from cnoeabs.peaks (4.18, 1.72, 32.58 ppm; 3.86 A): 3 out of 9 assignments used, quality = 0.95: HA ARG 84 + HB3 LYS 85 OK 76 99 100 77 4.1-5.0 377/4.0=37, 3369=20...(12) HA ARG 84 + HB3 LYS 83 OK 69 99 95 74 4.1-5.7 3.0/842=24, ~368=20...(11) HA ARG 82 + HB3 LYS 83 OK 30 100 65 46 4.1-6.2 3.6/833=26, 2979/1.8=15...(7) HA GLN 79 - HB3 LYS 83 far 0 83 0 - 7.6-13.7 HA ARG 82 - HB3 LYS 85 far 0 100 0 - 7.8-11.7 HA GLN 79 - HB3 LYS 85 far 0 85 0 - 8.7-19.0 HA ALA 78 - HB3 LYS 83 far 0 61 0 - 8.7-13.7 HA LYS 73 - HB3 LYS 83 far 0 100 0 - 9.2-26.6 HA ILE 89 - HB3 LYS 85 far 0 98 0 - 9.8-14.2 Violated in 5 structures by 0.01 A. Peak 6065 from cnoeabs.peaks (7.46, 1.77, 30.20 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.94: HE21 GLN 61 + HB2 LYS 32 OK 84 99 95 89 2.9-6.5 1.7/4670=23, 4667=22...(15) HE21 GLN 61 + HB3 LYS 32 OK 65 99 75 88 4.1-7.9 4667/1.8=21, ~4072=20...(14) HE21 GLN 61 - HB2 PRO 34 poor 18 62 30 - 5.5-7.5 HE21 GLN 79 - HB3 ARG 82 far 0 75 0 - 7.1-16.5 HE21 GLN 79 - HB3 ARG 84 far 0 45 0 - 8.2-21.2 Violated in 6 structures by 0.18 A. Peak 6066 from cnoeabs.peaks (1.58, 2.91, 38.77 ppm; 5.31 A): 4 out of 7 assignments used, quality = 1.00: HD3 LYS 39 + HB3 PHE 35 OK 97 99 100 98 2.0-4.7 ~5939=46, 5942/2.6=35...(18) HD2 LYS 39 + HB3 PHE 35 OK 97 99 100 98 2.8-5.8 ~5939=46, 5942/2.6=35...(17) HG2 LYS 39 + HB3 PHE 35 OK 61 63 100 98 2.7-5.0 5939/2.6=48, ~5940=41...(17) HB3 LEU 51 + HB3 PHE 35 OK 34 76 45 100 6.0-7.5 3.1/5353=77, 3.1/4865=75...(15) HB3 ARG 54 - HB3 PHE 35 far 0 63 0 - 7.0-10.2 HG3 ARG 54 - HB3 PHE 35 far 0 100 0 - 7.8-11.6 HB3 LEU 86 - HB3 PHE 35 far 0 94 0 - 9.3-42.1 Violated in 0 structures by 0.00 A. Peak 6067 from cnoeabs.peaks (1.58, 2.85, 38.77 ppm; 5.67 A): 4 out of 11 assignments used, quality = 1.00: HD3 LYS 39 + HB2 PHE 35 OK 99 100 100 99 1.9-3.9 ~5939=53, 5942/2.6=40...(18) HD2 LYS 39 + HB2 PHE 35 OK 99 100 100 99 2.0-4.9 ~5939=53, 5942/2.6=39...(17) HB3 LEU 51 + HB2 PHE 35 OK 68 85 80 100 6.1-7.6 ~5353=64, ~4568=63...(14) HB3 LEU 51 + HB3 PHE 48 OK 45 45 100 100 4.5-5.4 4464/3.0=90, ~4466=69...(15) HD3 LYS 39 - HB3 PHE 48 far 6 61 10 - 6.6-11.1 HD2 LYS 39 - HB3 PHE 48 far 6 60 10 - 5.8-10.9 HB3 LEU 86 - HB2 PHE 35 far 0 89 0 - 8.7-41.4 HG3 ARG 54 - HB2 PHE 35 far 0 100 0 - 8.8-12.5 HG LEU 86 - HB2 PHE 35 far 0 87 0 - 9.2-42.4 HG3 ARG 54 - HB3 PHE 48 far 0 60 0 - 9.3-11.6 HG LEU 62 - HB3 PHE 48 far 0 52 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 6068 from cnoeabs.peaks (1.21, 0.62, 23.89 ppm; 5.18 A): 4 out of 6 assignments used, quality = 1.00: HG LEU 52 + QD1 LEU 51 OK 96 97 100 100 5.4-6.2 668/4.6=73, ~4952=51...(16) QG2 VAL 65 + QD1 LEU 51 OK 77 99 85 91 5.3-7.7 ~6104=51, 4562/4534=41...(9) HG13 ILE 40 + QD1 LEU 51 OK 70 71 100 99 5.0-6.5 ~5173=57, ~4301=52...(12) QG1 VAL 65 + QD1 LEU 51 OK 37 68 60 90 5.4-7.6 6104/2.1=47...(10) QG2 THR 15 - QD1 LEU 51 far 0 92 0 - 6.8-22.0 HG13 ILE 33 - QD1 LEU 51 far 0 95 0 - 8.1-11.1 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 2.7-4.0 4608=85, 4707/4998=39...(24) Violated in 2 structures by 0.01 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 3.7-5.5 2.1/6069=99, 3.1/4981=72...(22) QD1 ILE 33 + HA LEU 62 OK 89 92 100 97 4.4-6.8 4211/4674=58...(9) Violated in 0 structures by 0.00 A. Peak 6071 from cnoeabs.peaks (0.79, 4.26, 57.87 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.96: QD1 ILE 68 + HA LEU 64 OK 95 96 100 99 3.7-4.7 4759/2616=69...(7) QG2 ILE 68 + HA LEU 64 OK 24 90 30 90 6.1-6.9 4.0/6135=55, ~5251=37...(5) QG1 VAL 41 - HA LEU 64 far 0 100 0 - 9.8-12.0 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 2.7-4.5 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 = 1.00: HA VAL 41 + HD3 ARG 69 OK 100 100 100 100 2.1-5.8 5253/3.0=76, 4342/3.0=73...(17) HA VAL 41 + HD2 ARG 69 OK 100 100 100 100 2.6-5.6 5253/3.0=76, 4342/3.0=73...(17) Violated in 0 structures by 0.00 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 + HB2 LYS 32 OK 100 100 100 100 2.0-5.3 4.6=100 HE2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.0-4.8 4.6=100 HE3 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.4-4.6 4.6=100 HE3 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.5-4.7 4.6=100 HB3 TYR 55 + HB2 PRO 34 OK 55 55 100 100 2.4-5.1 ~4666=70, ~4859=64...(20) HB3 TYR 81 + HB3 ARG 82 OK 47 48 100 99 3.6-6.4 2.5/4683=88, 1.8/5887=58...(8) HE3 LYS 13 - HB3 LYS 32 poor 19 95 20 - 5.5-31.3 HE3 LYS 13 - HB2 LYS 32 far 14 95 15 - 6.4-29.6 HE2 LYS 39 - HB2 PRO 34 poor 14 40 35 - 6.0-10.2 HE2 LYS 13 - HB3 LYS 32 far 9 93 10 - 5.5-30.9 HE2 LYS 13 - HB2 LYS 32 far 9 93 10 - 5.9-29.3 HE2 LYS 32 - HB2 PRO 34 far 3 65 5 - 6.0-12.9 HE3 LYS 32 - HB2 PRO 34 far 3 65 5 - 5.8-12.5 HB3 TYR 81 - HB3 ARG 84 far 1 27 5 - 5.9-14.1 HE2 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.2-22.2 HE3 LYS 73 - HB3 ARG 82 far 0 80 0 - 7.3-21.7 HE3 LYS 39 - HB2 PRO 34 far 0 37 0 - 7.3-11.4 HB3 TYR 55 - HB2 LYS 32 far 0 93 0 - 8.1-10.9 HB3 TYR 55 - HB3 LYS 32 far 0 93 0 - 8.2-12.3 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 2.6-4.9 ~4601=76, ~4629=76...(13) HE22 GLN 61 - HB3 PHE 35 far 0 98 0 - 8.7-9.8 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 2.6-4.7 4371=96, 624/5357=61...(8) H LEU 51 - HA LYS 39 far 0 87 0 - 7.8-11.5 Violated in 1 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 4.0-5.2 915/3.6=79, 5632/3.0=62...(10) HD21 ASN 42 + HA LYS 39 OK 91 100 100 92 4.0-6.2 5089/5790=49...(9) 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 + HD3 LYS 39 OK 80 81 100 100 1.9-5.2 5205/3.5=52, 6087/3.0=51...(30) QD2 LEU 51 + HD2 LYS 39 OK 80 81 100 100 2.6-5.4 5205/3.5=52, 6087/3.0=51...(29) QD2 LEU 51 - HD2 LYS 73 far 0 44 0 - 8.4-14.6 QD2 LEU 51 - HD3 LYS 73 far 0 44 0 - 8.8-14.3 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 81 100 100 2.7-5.5 ~6087=45, 2.1/6085=40...(26) QD1 LEU 51 + HD2 LYS 39 OK 80 81 100 100 3.2-5.6 ~6087=45, 2.1/6085=40...(25) 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 2.1-4.7 5205/2.9=80, 5204/2.9=66...(27) 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 4 assignments used, quality = 0.97: QD1 LEU 51 + HE2 LYS 39 OK 83 89 100 94 1.9-5.5 6093/3.6=30, 2.1/4948=30...(17) QD1 LEU 51 + HE3 LYS 39 OK 82 88 100 93 2.0-6.0 2.1/4948=31, 6093/3.6=30...(13) QD1 LEU 51 - HE3 LYS 13 far 4 79 5 - 4.7-26.7 QD1 LEU 51 - HE2 LYS 13 far 0 80 0 - 6.2-27.1 Violated in 1 structures by 0.01 A. Peak 6089 from cnoeabs.peaks (3.56, 2.98, 41.78 ppm; 4.29 A): 4 out of 15 assignments used, quality = 0.98: HD3 PRO 36 + HE2 LYS 39 OK 88 99 95 93 2.4-6.0 5208/3.6=39, 5207/3.6=30...(15) HD3 PRO 36 + HE3 LYS 39 OK 79 99 85 93 3.8-6.5 5208/3.6=39, 5207/3.6=30...(15) HA VAL 41 + HE3 LYS 73 OK 24 50 70 69 3.1-8.2 3.2/6092=17, 3.2/6091=15...(11) HA VAL 41 + HE2 LYS 73 OK 24 53 65 69 3.3-9.4 ~6092=17, 3.2/6091=15...(11) HD3 PRO 34 - HE3 LYS 32 far 5 52 10 - 5.2-10.1 HD3 PRO 34 - HE2 LYS 32 far 5 50 10 - 4.9-10.5 HD3 PRO 36 - HE3 LYS 13 far 0 89 0 - 7.2-30.8 HA VAL 41 - HE3 LYS 75 far 0 68 0 - 8.0-16.6 HD3 PRO 36 - HE2 LYS 13 far 0 91 0 - 8.3-30.2 HD3 PRO 34 - HE2 LYS 39 far 0 83 0 - 8.3-13.0 HA VAL 41 - HE3 LYS 39 far 0 87 0 - 8.4-12.3 HA VAL 41 - HE2 LYS 75 far 0 70 0 - 8.8-16.5 HA VAL 41 - HE2 LYS 39 far 0 87 0 - 8.9-12.3 HD3 PRO 34 - HE3 LYS 39 far 0 83 0 - 9.4-12.9 HD3 PRO 34 - HE3 LYS 13 far 0 70 0 - 10.0-28.6 Violated in 2 structures by 0.05 A. Peak 6090 from cnoeabs.peaks (4.22, 2.98, 41.78 ppm; 4.29 A): 4 out of 35 assignments used, quality = 0.96: HA LYS 39 + HE3 LYS 39 OK 68 68 100 99 4.1-5.7 1837/3.6=46, 1836/3.6=41...(43) HA LYS 75 + HE2 LYS 75 OK 59 66 90 99 2.3-6.2 6.4=30, 3071/3.5=29...(49) HA LYS 75 + HE3 LYS 75 OK 51 64 80 99 2.9-5.9 6.4=30, 3071/3.5=29...(49) HA LYS 39 + HE2 LYS 39 OK 34 68 50 99 3.2-6.5 1837/3.6=46, 1836/3.6=41...(43) HB THR 37 - HE3 LYS 75 far 8 85 10 - 5.6-21.1 HA LYS 75 - HE3 LYS 73 far 7 47 15 - 4.2-11.2 HA THR 15 - HE2 LYS 13 far 7 67 10 - 4.1-10.9 HA THR 15 - HE3 LYS 13 far 7 66 10 - 4.0-10.4 HA ALA 77 - HE2 LYS 73 far 6 64 10 - 4.9-17.2 HA ALA 78 - HE2 LYS 73 far 5 53 10 - 4.3-18.5 HB THR 37 - HE2 LYS 75 far 4 87 5 - 5.7-21.0 HA ALA 78 - HE3 LYS 73 far 3 50 5 - 5.5-16.8 HA LYS 75 - HE2 LYS 73 far 2 50 5 - 4.6-12.2 HA THR 15 - HE3 LYS 32 far 2 48 5 - 5.6-30.4 HA THR 15 - HE2 LYS 32 far 2 46 5 - 5.5-29.2 HA GLN 79 - HE2 LYS 73 far 2 37 5 - 4.4-21.1 HA GLN 79 - HE3 LYS 73 far 2 36 5 - 5.5-19.4 HA ALA 77 - HE3 LYS 73 far 0 61 0 - 5.8-15.5 HA THR 15 - HE2 LYS 39 far 0 78 0 - 6.9-27.8 HA LYS 83 - HE2 LYS 73 far 0 51 0 - 7.2-25.0 HA THR 15 - HE3 LYS 39 far 0 78 0 - 7.2-29.5 HA ALA 77 - HE3 LYS 75 far 0 81 0 - 7.8-12.1 HA LYS 39 - HE3 LYS 73 far 0 37 0 - 8.1-14.3 HA LYS 83 - HE3 LYS 73 far 0 49 0 - 8.1-25.6 HB THR 37 - HE2 LYS 39 far 0 100 0 - 8.1-11.7 HA GLN 79 - HE3 LYS 75 far 0 49 0 - 8.2-15.8 HA ALA 77 - HE2 LYS 75 far 0 83 0 - 8.2-12.7 HA GLN 79 - HE2 LYS 75 far 0 50 0 - 8.3-16.1 HA LYS 39 - HE2 LYS 73 far 0 39 0 - 8.5-15.7 HA ALA 78 - HE2 LYS 75 far 0 70 0 - 8.7-16.0 HB THR 37 - HE3 LYS 39 far 0 100 0 - 9.0-11.6 HB THR 37 - HE2 LYS 73 far 0 68 0 - 9.3-15.7 HA LYS 39 - HE3 LYS 13 far 0 57 0 - 9.4-30.3 HA ALA 78 - HE3 LYS 75 far 0 68 0 - 9.4-15.0 HA LYS 39 - HE3 LYS 75 far 0 51 0 - 9.6-22.0 Violated in 1 structures by 0.00 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 2.0-6.2 3.7/4904=83, 3.7/5258=74...(15) HE3 LYS 73 + QG1 VAL 41 OK 99 99 100 100 2.9-5.2 3.7/4904=83, 3.7/5258=74...(15) HE2 LYS 75 - QG1 VAL 41 poor 20 100 20 - 6.5-11.7 HE3 LYS 75 - QG1 VAL 41 lone 7 100 35 20 5.1-11.8 5.0/4346=12, 5.0/5262=5 HB3 TYR 81 - QG1 VAL 41 far 4 81 5 - 6.1-15.9 HE3 LYS 39 - QG1 VAL 41 far 0 81 0 - 9.1-11.4 HE2 LYS 39 - QG1 VAL 41 far 0 85 0 - 9.3-11.5 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 = 0.95: HE3 LYS 73 + QG2 VAL 41 OK 81 100 85 95 4.7-7.3 6.1/5625=41, 6091/2.1=34...(15) HE2 LYS 73 + QG2 VAL 41 OK 71 100 75 95 4.2-8.1 6.1/5625=41, 6091/2.1=34...(15) HE3 LYS 75 - QG2 VAL 41 poor 20 99 20 - 4.4-12.9 HE2 LYS 75 - QG2 VAL 41 poor 20 99 20 - 5.8-13.1 HE2 LYS 39 - QG2 VAL 41 far 0 76 0 - 7.8-10.4 HE3 LYS 39 - QG2 VAL 41 far 0 71 0 - 7.9-10.2 HB3 TYR 81 - QG2 VAL 41 far 0 71 0 - 8.0-17.6 Violated in 8 structures by 0.27 A. Peak 6093 from cnoeabs.peaks (1.54, 0.62, 23.89 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 39 + QD1 LEU 51 OK 99 100 100 99 2.3-5.4 6087/2.1=40...(25) HB3 ARG 54 + QD1 LEU 51 OK 95 100 95 100 3.7-6.4 5220/2245=59...(18) HG LEU 62 - QD1 LEU 51 far 0 81 0 - 8.2-10.6 Violated in 6 structures by 0.06 A. Peak 6094 from cnoeabs.peaks (1.40, 0.62, 23.89 ppm; 5.45 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 39 + QD1 LEU 51 OK 100 100 100 100 2.9-4.9 ~6087=61, 2.9/5203=59...(25) QB ALA 53 + QD1 LEU 51 OK 95 99 100 96 5.9-6.9 5732/4946=55...(10) HG2 LYS 13 - QD1 LEU 51 far 4 73 5 - 4.7-29.9 HG3 ARG 69 - QD1 LEU 51 far 0 76 0 - 8.2-11.9 HB3 ARG 69 - QD1 LEU 51 far 0 100 0 - 8.8-11.5 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 3.3-4.2 2.2/4527=88...(15) 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 4.0-5.4 2.2/4581=98, ~4582=66...(12) Violated in 1 structures by 0.00 A. Peak 6097 from cnoeabs.peaks (0.98, 1.33, 40.92 ppm; 6.21 A): 2 out of 5 assignments used, quality = 0.90: QD1 LEU 57 + HB2 LEU 52 OK 87 87 100 100 1.9-3.6 4554/3.1=100...(15) QD1 LEU 57 + HB2 LEU 51 OK 26 47 100 57 4.5-7.6 4554/2288=36...(3) QD1 LEU 64 - HB2 LEU 52 far 0 76 0 - 8.5-11.9 QG1 VAL 45 - HB2 LEU 51 far 0 58 0 - 8.7-9.6 QG1 VAL 45 - HB2 LEU 52 far 0 99 0 - 9.8-10.6 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 3.3-4.7 4986/1.8=98, 4613/3.1=94...(13) QG1 VAL 45 - HB3 LEU 52 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 6099 from cnoeabs.peaks (7.96, 4.04, 60.18 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.89: H ALA 63 + HA GLU 59 OK 89 90 100 99 3.9-4.7 256/4637=66, 933/4645=57...(8) Violated in 1 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 2.9-4.0 3.6/4625=77, 3.0/4601=68...(9) HB THR 58 + HB2 GLN 61 OK 89 96 95 98 3.9-6.4 2.1/4627=79, 4.1/4625=70...(6) Violated in 0 structures by 0.00 A. Peak 6101 from cnoeabs.peaks (4.78, 1.66, 30.35 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.95: HA LEU 57 + HB3 GLN 61 OK 93 93 100 100 3.4-4.9 3.6/4624=75, 4.0/4985=65...(9) HB THR 58 + HB3 GLN 61 OK 27 90 30 99 4.1-7.3 4.1/4624=68, ~4627=63...(7) 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 6 assignments used, quality = 0.99: HG13 ILE 68 + QD1 LEU 64 OK 92 100 100 92 2.0-4.3 ~4759=35, ~5242=34...(16) HB2 MET 31 + QD1 LEU 64 OK 85 93 95 96 3.4-5.4 6121/2.1=56, 3.0/5310=34...(15) HB ILE 68 + QD1 LEU 64 OK 34 71 60 80 3.7-6.2 3.9/6134=29, ~4759=23...(12) HG12 ILE 40 - QD1 LEU 64 far 0 89 0 - 5.9-9.1 HB3 ARG 66 - QD1 LEU 64 far 0 83 0 - 6.3-8.1 HB VAL 41 - QD1 LEU 64 far 0 99 0 - 9.4-11.9 Violated in 2 structures by 0.01 A. Peak 6103 from cnoeabs.peaks (1.92, 0.84, 25.67 ppm; 3.55 A): 3 out of 7 assignments used, quality = 0.96: HB2 MET 31 + QD2 LEU 64 OK 87 87 100 100 1.9-2.8 6121=77, 1.8/4845=49...(20) HG13 ILE 68 + QD2 LEU 64 OK 57 99 65 88 3.4-6.4 ~4759=38, ~5242=37...(11) HB ILE 68 + QD2 LEU 64 OK 28 81 45 77 4.3-7.2 ~4759=26, ~5242=25...(10) HG12 ILE 40 - QD2 LEU 64 far 0 95 0 - 6.2-8.4 HB3 ARG 66 - QD2 LEU 64 far 0 73 0 - 7.1-8.7 HB VAL 41 - QD2 LEU 64 far 0 96 0 - 9.6-12.5 HB2 GLU 19 - QD2 LEU 64 far 0 99 0 - 9.9-17.9 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 = 0.99: QD2 LEU 51 + QG1 VAL 65 OK 99 100 100 99 3.4-5.7 4568/5031=69...(14) Violated in 1 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 92 100 100 4.5-6.8 744/4.1=73, 4.1/5244=71...(12) HB3 LEU 64 + QG2 VAL 65 OK 89 89 100 100 4.7-6.3 4.4/2669=82, 4.0/4715=67...(21) HB3 GLN 61 + QG2 VAL 65 OK 73 81 100 90 2.6-6.1 5772=30, 1.8/5773=27...(12) HG2 ARG 70 - QG2 VAL 65 far 0 63 0 - 7.7-10.9 HG LEU 29 - QG2 VAL 65 far 0 99 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 6106 from cnoeabs.peaks (1.68, 1.23, 22.65 ppm; 5.30 A): 3 out of 4 assignments used, quality = 1.00: HG3 ARG 66 + QG1 VAL 65 OK 94 96 100 99 1.9-4.8 744/4.1=73, 5970/5314=49...(12) HB3 LEU 64 + QG1 VAL 65 OK 79 93 85 100 6.3-6.8 4.4/2664=75, ~5032=41...(21) HB3 GLN 61 + QG1 VAL 65 OK 62 73 100 85 4.9-6.7 ~2183=22, 1.8/5773=21...(11) HG2 ARG 70 - QG1 VAL 65 far 11 71 15 - 6.1-9.7 Violated in 0 structures by 0.00 A. Peak 6107 from cnoeabs.peaks (4.47, 3.21, 43.49 ppm; 5.27 A): 5 out of 18 assignments used, quality = 1.00: HA ASP 67 + HD3 ARG 70 OK 97 98 100 99 2.1-6.0 5049/3.0=80, 5050/3.0=47...(15) HA ASP 67 + HD2 ARG 70 OK 92 98 95 99 2.4-6.9 5049/3.0=80, 5050/3.0=47...(15) HA ASP 67 + HD2 ARG 66 OK 29 84 35 99 4.3-8.0 ~280=48, ~5802=38...(20) HA ASP 67 + HD3 ARG 66 OK 28 81 35 99 4.8-8.0 ~280=48, ~5802=38...(19) HA ASP 67 + HD3 ARG 71 OK 26 55 70 67 3.7-7.4 5838/5.8=34, 5050/3.0=30...(9) HA ASP 24 - HD3 ARG 71 poor 9 43 20 - 2.5-12.9 HA SER 22 - HD3 ARG 71 far 2 42 5 - 6.7-18.7 HA TYR 81 - HD3 ARG 70 far 0 99 0 - 6.9-22.9 HA TYR 81 - HD2 ARG 70 far 0 99 0 - 7.2-23.6 HA TYR 81 - HD3 ARG 66 far 0 81 0 - 7.3-29.1 HA TYR 81 - HD2 ARG 66 far 0 85 0 - 7.3-28.3 HA TYR 81 - HD3 ARG 71 far 0 55 0 - 7.4-26.0 HA PRO 14 - HD2 ARG 70 far 0 95 0 - 7.8-37.0 HA PRO 14 - HD3 ARG 71 far 0 51 0 - 8.6-38.2 HA PRO 14 - HD3 ARG 70 far 0 94 0 - 8.8-36.6 HA ASP 24 - HD3 ARG 70 far 0 85 0 - 8.9-15.7 HA ASP 24 - HD2 ARG 70 far 0 85 0 - 9.5-16.4 HA ASP 46 - HD3 ARG 66 far 0 53 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 6108 from cnoeabs.peaks (1.91, 3.96, 46.02 ppm; 5.20 A): 3 out of 5 assignments used, quality = 0.97: HB ILE 68 + HA2 GLY 72 OK 83 93 90 99 4.3-7.3 2.1/4797=44, ~5845=42...(20) HB VAL 41 + HA2 GLY 72 OK 68 85 80 100 3.7-8.0 2.1/4339=94, ~4335=77...(15) HG13 ILE 68 + HA2 GLY 72 OK 41 95 45 96 4.3-8.5 3.2/4797=39, ~4795=32...(17) HB2 GLU 19 - HA2 GLY 72 far 5 100 5 - 6.4-22.8 HG12 ILE 40 - HA2 GLY 72 far 0 99 0 - 7.3-10.5 Violated in 2 structures by 0.04 A. Peak 6110 from cnoeabs.peaks (2.39, 4.38, 55.13 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.2-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 6111 from cnoeabs.peaks (2.46, 4.38, 55.13 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.98: HG2 MET 11 + HA MET 11 OK 98 98 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 6114 from cnoeabs.peaks (3.95, 1.38, 18.75 ppm; 3.83 A): 4 out of 32 assignments used, quality = 0.99: HA VAL 76 + QB ALA 77 OK 87 90 100 97 3.7-5.0 349/2.9=63, 5856/2.1=26...(19) HA3 GLY 21 + QB ALA 20 OK 73 100 100 73 3.6-4.9 4.8=49, 5494/2.1=21...(5) HA2 GLY 21 + QB ALA 20 OK 73 100 100 73 3.7-4.6 4.8=49, 5494/2.1=21...(5) HA VAL 76 + QB ALA 78 OK 20 83 40 61 4.1-7.2 5435/4.6=13, 3984/3.6=11...(15) HA2 GLY 18 - QB ALA 20 poor 18 73 25 - 4.3-7.7 HA3 GLY 18 - QB ALA 16 poor 12 34 35 - 3.8-7.4 HA2 GLY 18 - QB ALA 16 poor 12 33 35 - 3.9-7.9 HA2 GLY 72 - QB ALA 20 far 5 97 5 - 4.6-15.8 HA2 GLY 21 - QB ALA 78 far 5 96 5 - 2.9-25.7 HA3 GLY 21 - QB ALA 78 far 5 96 5 - 3.5-24.9 HA THR 37 - QB ALA 20 far 5 90 5 - 5.0-13.7 HA LYS 32 - QB ALA 16 far 3 31 10 - 4.7-23.3 HA3 GLY 18 - QB ALA 20 lone 3 76 35 11 3.9-7.7 4800/4.5=7, 4149=1, 3.0/3726=1 HA3 GLY 21 - QB ALA 16 far 3 54 5 - 3.6-14.7 HA2 GLY 21 - QB ALA 16 far 3 54 5 - 4.4-15.3 HA ALA 28 - QB ALA 16 far 0 52 0 - 5.6-18.0 HA2 GLY 18 - QB ALA 78 far 0 66 0 - 5.9-30.6 HA THR 37 - QB ALA 16 far 0 44 0 - 6.0-17.0 HA ARG 66 - QB ALA 78 far 0 64 0 - 6.6-21.1 HA2 GLY 72 - QB ALA 77 far 0 96 0 - 6.7-13.3 HA ARG 66 - QB ALA 77 far 0 70 0 - 7.0-17.7 HA2 GLY 18 - QB ALA 77 far 0 73 0 - 7.1-26.9 HA3 GLY 18 - QB ALA 78 far 0 69 0 - 7.1-30.5 HA3 GLY 21 - QB ALA 77 far 0 100 0 - 7.2-24.9 HA2 GLY 72 - QB ALA 78 far 0 90 0 - 7.4-15.5 HA2 GLY 21 - QB ALA 77 far 0 100 0 - 7.4-25.1 HA VAL 76 - QB ALA 20 far 0 90 0 - 7.5-25.1 HA ALA 28 - QB ALA 20 far 0 99 0 - 7.8-13.9 HA3 GLY 18 - QB ALA 77 far 0 75 0 - 8.6-26.7 HA LYS 32 - QB ALA 20 far 0 71 0 - 9.4-15.5 HA ARG 66 - QB ALA 20 far 0 71 0 - 9.7-20.5 HA2 GLY 72 - QB ALA 16 far 0 49 0 - 9.8-21.8 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 4 assignments used, quality = 1.00: QD1 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HG LEU 29 far 5 99 5 - 4.1-40.9 QG1 VAL 90 - HG LEU 29 far 0 83 0 - 5.5-47.5 QG2 VAL 90 - HG LEU 29 far 0 85 0 - 7.9-49.1 Violated in 0 structures by 0.00 A. Peak 6116 from cnoeabs.peaks (2.62, 1.45, 18.14 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: HG2 MET 31 + QB ALA 30 OK 100 100 100 100 3.1-4.9 1.8/5305=79, 1542/3.6=67...(13) HG2 GLN 61 - QB ALA 30 far 0 76 0 - 6.4-9.7 Violated in 6 structures by 0.04 A. Peak 6117 from cnoeabs.peaks (8.24, 4.42, 55.00 ppm; 4.66 A): 0 out of 3 assignments used, quality = 0.00: H ALA 12 - HA MET 31 far 0 100 0 - 6.8-31.2 H ALA 28 - HA MET 31 far 0 71 0 - 7.0-7.9 H VAL 90 - HA MET 31 far 0 63 0 - 8.2-56.3 Violated in 20 structures by 2.62 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 3.6-5.6 4807/6116=74...(5) HA ALA 30 + HG2 MET 31 OK 70 83 85 100 5.1-7.2 2.1/6116=89, 3.6/1542=81...(9) HA GLU 25 - HG2 MET 31 far 0 65 0 - 8.3-10.5 HA ARG 23 - HG2 MET 31 far 0 97 0 - 9.5-13.1 Violated in 2 structures by 0.01 A. Peak 6120 from cnoeabs.peaks (0.71, 1.94, 32.66 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HB2 MET 31 OK 100 100 100 100 1.9-3.1 6122/6121=80...(18) QD2 LEU 57 + HB2 MET 31 OK 28 100 45 62 5.6-7.8 4846/1.8=24, 5075/4.3=17...(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 6 assignments used, quality = 0.99: QD2 LEU 64 + HB2 MET 31 OK 99 99 100 100 1.9-2.8 4845/1.8=54, 4198/3.0=53...(21) QD2 LEU 29 - HB2 MET 31 far 0 99 0 - 5.6-7.6 QG2 ILE 89 - HB2 MET 31 far 0 100 0 - 5.8-46.1 QD1 ILE 89 - HB2 MET 31 far 0 65 0 - 6.1-45.8 QG2 ILE 68 - HB2 MET 31 far 0 60 0 - 7.3-9.9 QD2 LEU 86 - HB2 MET 31 far 0 100 0 - 7.4-40.7 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 7 assignments used, quality = 0.96: QD2 LEU 64 + QD1 ILE 33 OK 96 97 100 98 1.8-2.3 5162/5196=35...(26) QD2 LEU 29 - QD1 ILE 33 far 5 97 5 - 4.2-7.3 QG2 ILE 68 - QD1 ILE 33 far 3 68 5 - 4.8-7.4 QG2 ILE 89 - QD1 ILE 33 far 0 99 0 - 5.3-36.4 QD1 ILE 89 - QD1 ILE 33 far 0 73 0 - 5.9-36.2 QD2 LEU 86 - QD1 ILE 33 far 0 100 0 - 7.3-32.0 QD1 LEU 43 - QD1 ILE 33 far 0 100 0 - 7.7-9.6 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 6 assignments used, quality = 0.88: H ARG 82 + HB3 ARG 82 OK 81 81 100 100 2.3-3.3 4.0=100 H TYR 81 + HB3 ARG 82 OK 41 83 65 75 4.5-7.1 4.5/4683=46, 3.9/5887=42...(5) H GLN 91 - HB3 LYS 32 far 2 32 5 - 6.1-61.0 H ARG 82 - HB3 ARG 84 far 0 60 0 - 6.4-10.5 H TYR 81 - HB3 ARG 84 far 0 63 0 - 6.9-13.0 H GLN 91 - HB2 LYS 32 far 0 32 0 - 7.8-59.6 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 3.6-3.7 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 3.6-3.7 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 2.3-2.8 4291/1.8=90, 4290/2.3=80...(13) 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 = 0.91: QB ALA 28 + QG2 THR 37 OK 91 100 95 96 2.5-4.9 5532=70, 5195/4285=29...(19) QB ALA 16 - QG2 THR 37 far 11 76 15 - 3.3-13.7 QB ALA 12 - QG2 THR 37 far 0 100 0 - 8.7-22.9 Violated in 13 structures by 0.31 A. Peak 6129 from cnoeabs.peaks (2.66, 1.72, 42.41 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 47 + HB2 LEU 43 OK 99 99 100 100 3.5-6.6 4442/1.8=91, 1.8/4381=86...(18) HB3 ASN 49 - HB2 LEU 43 far 0 87 0 - 9.0-10.5 Violated in 8 structures by 0.34 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 3.6-4.8 4631=98, 687/4581=71...(9) Violated in 0 structures by 0.00 A. Peak 6132 from cnoeabs.peaks (4.88, 0.71, 23.03 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.93: HA TYR 55 + QD2 LEU 57 OK 93 93 100 100 3.9-5.8 3.0/4587=74, 3.0/4604=74...(17) Violated in 8 structures by 0.16 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 4.0-5.6 5.7=91, 3.5/2529=84...(13) HD21 ASN 49 - HA GLU 50 poor 20 63 45 70 4.1-7.8 ~183=51, ~184=37 QE TYR 55 - HA GLU 50 far 0 78 0 - 7.7-8.6 Violated in 3 structures by 0.00 A. Peak 6134 from cnoeabs.peaks (8.43, 0.95, 23.35 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.98: H ILE 68 + QD1 LEU 64 OK 98 99 100 99 3.5-5.3 6135/2648=59...(10) H ALA 20 - QD1 LEU 64 far 0 78 0 - 8.9-15.5 Violated in 7 structures by 0.13 A. Peak 6135 from cnoeabs.peaks (8.43, 4.26, 57.87 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: H ILE 68 + HA LEU 64 OK 100 100 100 100 3.7-4.9 5810=88, 6134/2648=68...(9) 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 16 assignments used, quality = 1.00: H ARG 71 + HD3 ARG 71 OK 100 100 100 100 1.9-5.0 779/3.0=88, 5.8=58...(18) H ARG 71 + HD3 ARG 70 OK 58 58 100 100 3.9-6.2 307/3.0=81, 308/3.0=42...(20) H ARG 71 + HD2 ARG 70 OK 57 57 100 100 4.3-5.8 307/3.0=81, 308/3.0=42...(22) H ARG 26 + HD3 ARG 26 OK 35 35 100 99 4.1-5.1 6.1=52, 530/3.0=43...(20) H ARG 26 + HD2 ARG 26 OK 33 34 100 99 3.7-5.2 6.1=52, 530/3.0=43...(20) H LYS 75 - HD3 ARG 71 poor 19 97 20 - 4.4-12.7 H LYS 85 - HD3 ARG 70 far 3 59 5 - 5.8-33.9 H LYS 75 - HD3 ARG 70 far 3 54 5 - 5.4-11.9 H LYS 75 - HD2 ARG 70 far 3 53 5 - 5.4-11.7 H LYS 85 - HD2 ARG 70 far 0 58 0 - 6.7-33.7 H LYS 85 - HD2 ARG 26 far 0 68 0 - 7.0-44.1 H ARG 26 - HD3 ARG 71 far 0 60 0 - 7.4-17.6 H ARG 71 - HD3 ARG 66 far 0 54 0 - 7.4-10.9 H ARG 71 - HD2 ARG 66 far 0 56 0 - 7.7-10.9 H LYS 85 - HD3 ARG 26 far 0 70 0 - 8.4-44.1 H LYS 85 - HD3 ARG 71 far 0 100 0 - 9.6-37.1 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 23 assignments used, quality = 1.00: H ARG 71 + HD2 ARG 71 OK 100 100 100 100 3.7-5.4 779/3.0=86, 2.9/2937=79...(15) H LYS 85 + HD2 ARG 84 OK 81 99 95 86 2.9-6.4 377/5.1=43, 378/3.5=37...(6) H LYS 85 + HD3 ARG 84 OK 71 98 85 86 3.1-6.9 377/5.1=43, 378/3.5=37...(6) H LYS 75 - HD2 ARG 71 far 14 90 15 - 4.7-12.3 H ARG 26 - HD2 ARG 27 far 6 37 15 - 6.2-8.4 H ARG 26 - HD3 ARG 27 far 4 37 10 - 5.8-8.5 H THR 88 - HD2 ARG 84 far 4 71 5 - 5.6-15.5 H ARG 26 - HD3 ARG 84 far 3 69 5 - 5.9-41.5 H ARG 26 - HD3 ARG 23 far 2 45 5 - 5.7-8.8 H ARG 26 - HD2 ARG 23 far 2 45 5 - 6.2-8.7 H ARG 26 - HD2 ARG 71 far 0 73 0 - 7.1-18.2 H THR 88 - HD3 ARG 84 far 0 69 0 - 7.2-15.9 H ARG 26 - HD2 ARG 84 far 0 71 0 - 7.5-41.9 H ARG 71 - HD2 ARG 27 far 0 60 0 - 7.6-13.0 H LYS 85 - HD2 ARG 82 far 0 96 0 - 7.7-11.9 H ARG 71 - HD2 ARG 82 far 0 96 0 - 8.1-28.4 H LYS 85 - HD2 ARG 71 far 0 100 0 - 8.1-37.2 H ARG 71 - HD3 ARG 84 far 0 98 0 - 8.2-33.8 H ARG 71 - HD3 ARG 27 far 0 60 0 - 8.2-14.2 H ARG 26 - HD3 ARG 17 far 0 54 0 - 9.2-20.1 H ARG 26 - HD2 ARG 17 far 0 54 0 - 9.3-20.1 H ARG 71 - HD3 ARG 23 far 0 71 0 - 9.8-16.3 H ARG 71 - HD2 ARG 84 far 0 99 0 - 9.9-34.1 Violated in 0 structures by 0.00 A. Peak 6140 from cnoeabs.peaks (1.75, 6.79, 117.91 ppm; 5.20 A): 4 out of 16 assignments used, quality = 0.96: HB3 ARG 82 + QE TYR 81 OK 74 88 85 99 2.8-6.8 4683/2.2=82, ~4684=56...(8) HG2 PRO 34 + QE TYR 55 OK 60 60 100 100 4.1-6.0 4246/2.2=84, ~5565=62...(19) HB2 ARG 54 + QE TYR 55 OK 53 53 100 100 2.8-5.8 ~4634=78, 1.8/4970=76...(22) HB2 PRO 34 + QE TYR 55 OK 30 30 100 100 2.0-5.2 ~4666=69, 1.8/5291=65...(18) HB2 ARG 84 - QE TYR 81 far 4 73 5 - 3.8-14.4 HB2 LEU 43 - QE TYR 81 far 3 68 5 - 4.9-23.4 HB2 LEU 57 - QE TYR 55 far 0 51 0 - 7.3-9.9 HB3 LYS 85 - QE TYR 81 far 0 63 0 - 7.3-15.4 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 7.3-16.6 HB ILE 33 - QE TYR 55 far 0 48 0 - 7.5-9.6 HG3 ARG 26 - QE TYR 81 far 0 99 0 - 7.8-28.2 HB2 LEU 43 - QE TYR 55 far 0 38 0 - 8.0-9.7 HG3 ARG 71 - QE TYR 81 far 0 99 0 - 8.5-20.6 HB3 LYS 32 - QE TYR 55 far 0 40 0 - 9.4-11.5 HB2 LYS 32 - QE TYR 55 far 0 40 0 - 9.5-11.9 HB3 ARG 17 - QE TYR 55 far 0 63 0 - 9.8-26.8 Violated in 0 structures by 0.00 A. Peak 6141 from cnoeabs.peaks (1.39, 6.79, 117.91 ppm; 5.89 A): 2 out of 14 assignments used, quality = 0.98: QB ALA 78 + QE TYR 81 OK 97 99 100 98 4.1-7.0 4685/2.2=77, ~6048=71...(5) QB ALA 53 + QE TYR 55 OK 36 64 85 65 6.8-7.8 5732/6.3=51, 6094/4533=27 QB ALA 77 - QE TYR 81 poor 18 92 50 38 2.8-9.9 4.9/6008=24, 4685/2.2=11 HG3 LYS 39 - QE TYR 55 poor 14 53 60 45 5.8-8.1 6094/4533=28, ~5148=15...(4) HG3 LYS 73 - QE TYR 81 far 5 99 5 - 5.9-18.4 HG2 LYS 75 - QE TYR 81 far 5 99 5 - 7.3-17.0 HB3 ARG 69 - QE TYR 81 far 5 98 5 - 7.3-20.2 QB ALA 20 - QE TYR 81 far 5 94 5 - 7.0-27.1 HG3 ARG 69 - QE TYR 81 far 5 93 5 - 7.0-19.9 HG3 LYS 39 - QE TYR 81 far 4 88 5 - 6.0-25.3 QB ALA 16 - QE TYR 55 far 3 32 10 - 6.4-21.8 HG2 LYS 83 - QE TYR 81 lone 1 80 25 4 4.2-11.5 2999/4678=2 HG3 LYS 75 - QE TYR 81 far 0 99 0 - 8.1-16.6 HG2 LYS 85 - QE TYR 81 far 0 94 0 - 9.0-17.2 Violated in 2 structures by 0.04 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 14 assignments used, quality = 1.00: HG2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.2-3.8 3.7=100 QB ALA 20 + HA GLU 19 OK 83 89 100 93 3.8-5.0 4.5=70, 2.9/27=33...(10) HG2 LYS 85 + HA LYS 85 OK 70 70 100 100 2.1-4.2 3.8=100 QB ALA 16 - HA GLU 19 poor 17 87 20 - 3.9-9.7 HG2 LYS 85 - HA LYS 83 far 5 99 5 - 5.1-10.1 QB ALA 78 - HA LYS 83 far 4 87 5 - 4.2-11.1 QB ALA 78 - HA GLU 19 far 4 75 5 - 4.6-29.4 HG2 LYS 83 - HA LYS 85 far 0 73 0 - 5.9-9.0 HG3 LYS 75 - HA GLU 19 far 0 71 0 - 6.7-30.5 QB ALA 78 - HA LYS 85 far 0 57 0 - 6.8-16.6 HG2 LYS 75 - HA GLU 19 far 0 71 0 - 6.9-29.4 QB ALA 77 - HA GLU 19 far 0 90 0 - 7.5-27.5 QB ALA 77 - HA LYS 83 far 0 99 0 - 7.7-14.3 HG3 LYS 73 - HA LYS 83 far 0 87 0 - 8.5-24.5 Violated in 0 structures by 0.00 A. Peak 6144 from cnoeabs.peaks (1.37, 1.37, 24.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 83 + HG2 LYS 83 OK 100 100 - 100 HG2 LYS 85 + HG2 LYS 85 OK 87 87 - 100 HG3 LYS 73 + HG3 LYS 73 OK 60 60 - 100 Peak 6145 from cnoeabs.peaks (4.23, 1.37, 24.39 ppm; 3.81 A): 2 out of 14 assignments used, quality = 1.00: HA LYS 83 + HG2 LYS 83 OK 96 96 100 100 2.2-3.8 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 75 - HG3 LYS 73 poor 17 70 25 - 4.9-9.9 HA LYS 83 - HG2 LYS 85 far 4 84 5 - 5.1-10.1 HA ALA 77 - HG3 LYS 73 far 0 79 0 - 5.4-14.7 HA LYS 85 - HG2 LYS 83 far 0 100 0 - 5.9-9.0 HA ALA 78 - HG3 LYS 73 far 0 49 0 - 5.9-16.2 HA ALA 78 - HG2 LYS 83 far 0 71 0 - 7.5-15.0 HA ALA 77 - HG2 LYS 83 far 0 100 0 - 8.0-18.5 HB THR 37 - HG3 LYS 73 far 0 75 0 - 8.2-13.2 HA LYS 83 - HG3 LYS 73 far 0 71 0 - 8.5-24.5 HA LEU 64 - HG2 LYS 85 far 0 49 0 - 8.9-38.9 HA LYS 39 - HG3 LYS 73 far 0 60 0 - 9.4-12.9 HB THR 37 - HG2 LYS 85 far 0 88 0 - 9.6-39.6 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 8 assignments used, quality = 0.96: HE2 LYS 73 + HG3 LYS 73 OK 79 79 100 100 2.0-4.0 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 79 79 100 100 2.0-4.2 3.7=100 HE3 LYS 75 - HG3 LYS 73 far 8 76 10 - 3.8-12.9 HE2 LYS 75 - HG3 LYS 73 far 8 75 10 - 4.2-13.1 HE2 LYS 73 - HG2 LYS 83 far 5 100 5 - 5.0-28.6 HB3 TYR 81 - HG2 LYS 83 far 3 68 5 - 4.5-12.0 HE3 LYS 73 - HG2 LYS 83 far 0 100 0 - 5.9-28.2 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 6.0-18.8 Violated in 0 structures by 0.00 A. Peak 6147 from cnoeabs.peaks (1.65, 1.66, 28.76 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 92 92 - 100 HD3 LYS 75 + HD3 LYS 75 OK 92 92 - 100 HD2 LYS 13 + HD2 LYS 13 OK 90 90 - 100 HD3 LYS 13 + HD3 LYS 13 OK 90 90 - 100 Peak 6148 from cnoeabs.peaks (8.21, 3.14, 43.10 ppm; 5.06 A): 4 out of 35 assignments used, quality = 1.00: H ARG 84 + HD2 ARG 84 OK 87 88 100 99 3.7-5.9 6.2=55, 843/3.5=42...(15) H ARG 84 + HD3 ARG 84 OK 85 86 100 99 3.8-5.7 6.2=55, 843/3.5=42...(15) H ALA 28 + HD2 ARG 27 OK 58 60 100 96 4.5-6.3 71/3.5=43, 70/3.5=42...(12) H ALA 28 + HD3 ARG 27 OK 55 60 95 96 4.6-6.6 71/3.5=43, 70/3.5=42...(12) H GLU 25 - HD2 ARG 27 poor 13 51 25 - 5.1-9.4 H GLU 25 - HD3 ARG 23 poor 12 61 20 - 6.2-8.1 H ALA 77 - HD2 ARG 71 far 10 97 10 - 4.6-17.7 H THR 15 - HD3 ARG 17 far 8 76 10 - 6.3-12.3 H THR 15 - HD2 ARG 17 far 8 76 10 - 6.4-12.2 H SER 22 - HD3 ARG 23 far 7 70 10 - 5.8-9.3 H THR 15 - HD2 ARG 71 far 5 97 5 - 5.5-35.7 H GLU 25 - HD2 ARG 71 far 5 93 5 - 5.2-16.9 H SER 22 - HD2 ARG 23 far 3 70 5 - 5.6-9.5 H GLU 25 - HD2 ARG 23 far 3 61 5 - 6.5-8.2 H GLU 25 - HD3 ARG 27 far 3 51 5 - 6.5-9.0 H ARG 84 - HD2 ARG 82 lone 1 83 30 5 5.0-10.0 369/3.6=2, 3367/4.9=1 H GLN 79 - HD2 ARG 71 far 0 100 0 - 7.2-22.2 H ALA 28 - HD2 ARG 71 far 0 100 0 - 7.4-15.7 H SER 22 - HD3 ARG 84 far 0 98 0 - 7.4-40.2 H GLU 25 - HD3 ARG 84 far 0 89 0 - 7.5-39.1 H ALA 28 - HD3 ARG 23 far 0 71 0 - 7.8-11.8 H ALA 28 - HD2 ARG 23 far 0 71 0 - 7.9-11.8 H ALA 12 - HD3 ARG 17 far 0 54 0 - 7.9-20.3 H SER 22 - HD2 ARG 84 far 0 99 0 - 8.1-40.8 H SER 22 - HD2 ARG 71 far 0 100 0 - 8.4-20.1 H GLN 79 - HD2 ARG 82 far 0 96 0 - 8.4-14.4 H ALA 12 - HD2 ARG 17 far 0 54 0 - 8.4-20.4 H SER 22 - HD2 ARG 27 far 0 59 0 - 8.9-12.6 H SER 22 - HD2 ARG 82 far 0 95 0 - 9.0-37.0 H GLU 25 - HD2 ARG 84 far 0 91 0 - 9.0-39.6 H ALA 28 - HD3 ARG 17 far 0 83 0 - 9.0-20.9 H SER 22 - HD2 ARG 17 far 0 82 0 - 9.1-18.1 H SER 22 - HD3 ARG 27 far 0 59 0 - 9.3-12.2 H SER 22 - HD3 ARG 17 far 0 82 0 - 9.4-17.5 H ARG 84 - HD2 ARG 71 far 0 90 0 - 9.6-34.3 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 6 assignments used, quality = 0.00: HB ILE 33 - HG12 ILE 89 far 5 100 5 - 5.0-50.1 HB3 LYS 32 - HG12 ILE 89 far 0 100 0 - 7.3-55.3 HB2 PRO 34 - HG12 ILE 89 far 0 97 0 - 7.6-50.5 HB2 LYS 32 - HG12 ILE 89 far 0 100 0 - 8.0-54.7 HG2 PRO 34 - HG12 ILE 89 far 0 98 0 - 8.9-49.9 HB3 LYS 39 - HG12 ILE 89 far 0 93 0 - 9.4-47.4 Violated in 19 structures by 20.86 A. Peak 6150 from cnoeabs.peaks (1.57, 0.81, 12.45 ppm; 4.86 A): 0 out of 6 assignments used, quality = 0.00: HB3 LEU 86 - QD1 ILE 89 poor 18 99 45 41 2.7-9.2 3.0/5904=13, 3.0/3540=8...(8) HG LEU 86 - QD1 ILE 89 poor 15 65 55 42 2.1-10.8 4.3/5904=10, ~3624=9...(7) HB3 LEU 29 - QD1 ILE 89 far 5 98 5 - 2.3-47.4 HG3 ARG 84 - QD1 ILE 89 far 4 78 5 - 5.1-17.6 HG2 ARG 84 - QD1 ILE 89 far 0 78 0 - 6.5-16.5 HG2 LYS 39 - QD1 ILE 89 far 0 76 0 - 9.1-40.4 Violated in 12 structures by 0.89 A. Peak 6153 from cnoeabs.peaks (8.15, 4.08, 58.40 ppm; 3.37 A): 5 out of 8 assignments used, quality = 0.98: H ARG 26 + HA GLU 25 OK 68 70 100 97 3.5-3.6 3.6=85, 904/2.9=36...(15) H ARG 26 + HA ARG 26 OK 67 67 100 100 2.7-2.8 3.0=100 H ARG 27 + HA ARG 26 OK 54 56 100 97 3.4-3.6 3.6=84, 5380/3.0=39...(18) H ASN 74 + HA ARG 71 OK 49 100 75 65 3.3-7.2 4.0/16010=25...(6) H ARG 27 + HA GLU 25 OK 39 58 100 67 3.7-4.6 5380/3.6=33, 61=21...(8) H ALA 78 - HA ARG 71 far 0 100 0 - 6.6-17.8 H THR 88 - HA ARG 26 far 0 67 0 - 8.1-50.2 H ARG 27 - HA ARG 71 far 0 68 0 - 9.9-14.9 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 - 6.5-8.5 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 3.6-3.7 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 2.4-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 4537 from anoeabs.peaks (2.90, 6.65, 132.79 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.93: * HB3 PHE 35 + QD PHE 35 OK 93 93 100 100 2.3-2.4 2.6=100 HB3 PHE 48 - QD PHE 35 far 0 91 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 4539 from anoeabs.peaks (6.94, 6.65, 132.79 ppm; 2.56 A): 2 out of 4 assignments used, quality = 1.00: * QE PHE 35 + QD PHE 35 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 35 + QD PHE 35 OK 80 100 100 80 3.8-3.8 4534=34, 4596/4567=13...(21) HZ PHE 48 - QD PHE 35 far 0 100 0 - 6.5-8.5 HD22 ASN 42 - QD PHE 35 far 0 99 0 - 9.2-10.9 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): 3 out of 4 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 OK 85 100 100 85 2.4-4.5 4581/4540=27...(14) HZ PHE 35 + QE PHE 48 OK 53 100 70 76 2.5-5.3 4545=25, 4594/4540=15...(14) HD22 ASN 42 - QE PHE 48 far 0 97 0 - 9.4-11.7 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 - 7.1-21.1 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): 2 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 OK 34 94 55 65 2.5-5.3 4541/2.2=16, 4541=14...(14) 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 3 assignments used, quality = 0.84: * QD PHE 48 + HZ PHE 48 OK 84 100 100 84 3.8-3.8 3.8=55, 4959/4619=16...(14) QD PHE 48 - HZ PHE 35 far 14 93 15 - 3.8-6.7 QD TYR 81 - HZ PHE 48 far 0 92 0 - 9.1-23.5 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 4 assignments used, quality = 0.86: * HA PHE 48 + QD PHE 48 OK 86 86 100 100 2.2-2.8 3.7=100 HD2 PRO 44 - QD PHE 48 far 0 65 0 - 6.6-7.9 HA ARG 70 - QD PHE 48 far 0 97 0 - 7.6-9.6 HA ARG 54 - QD PHE 48 far 0 100 0 - 9.8-11.0 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 2.3-2.7 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 2.3-2.7 2.5=100 HB2 ASN 49 + QD PHE 48 OK 71 77 100 91 3.6-5.2 4.0/180=45, 3.0/4492=32...(10) HB2 PHE 35 - QD PHE 48 far 0 75 0 - 6.3-7.6 HB2 ASP 67 - QD PHE 48 far 0 77 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 4550 from anoeabs.peaks (6.95, 7.06, 131.49 ppm; 4.25 A): 3 out of 4 assignments used, quality = 1.00: * HZ PHE 48 + QD PHE 48 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 35 + QD PHE 48 OK 93 100 95 99 3.6-5.8 4581/5361=50...(16) HZ PHE 35 + QD PHE 48 OK 67 100 75 90 3.8-6.7 4594/5361=28...(15) HD22 ASN 42 - QD PHE 48 far 0 97 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 4551 from anoeabs.peaks (7.15, 7.06, 131.49 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 48 + QD PHE 48 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4552 from anoeabs.peaks (7.06, 7.06, 131.33 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QD PHE 48 + QD PHE 48 OK 93 93 - 100 Peak 4553 from anoeabs.peaks (6.81, 6.81, 118.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QE TYR 55 OK 100 100 - 100 QE TYR 81 + QE TYR 81 OK 36 36 - 100 Peak 4554 from anoeabs.peaks (7.34, 6.81, 118.01 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + QE TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4555 from anoeabs.peaks (4.90, 7.34, 134.10 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.99: * HA TYR 55 + QD TYR 55 OK 99 100 100 99 2.4-3.1 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 2.3-2.8 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 6 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.7 2.5=100 HB3 PHE 35 - QD TYR 55 poor 19 60 35 89 4.4-5.5 2.6/4629=43, 4.5/4658=23...(13) HE3 LYS 13 - QD TYR 55 far 0 65 0 - 6.7-28.7 HE2 LYS 13 - QD TYR 55 far 0 63 0 - 8.0-27.9 HE3 LYS 32 - QD TYR 55 far 0 92 0 - 8.1-13.3 HE2 LYS 32 - QD TYR 55 far 0 93 0 - 8.1-13.6 Violated in 0 structures by 0.00 A. Peak 4558 from anoeabs.peaks (6.81, 7.34, 134.10 ppm; 2.58 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 61 - QD TYR 55 far 0 89 0 - 6.3-7.8 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): 3 out of 6 assignments used, quality = 0.99: HB3 PRO 34 + QD PHE 35 OK 96 96 100 99 2.8-4.8 2.3/4243=51, 3.0/4649=45...(20) HG12 ILE 40 + QD PHE 35 OK 82 82 100 99 2.2-3.8 2.1/4318=53, 1.8/4320=38...(22) HB2 LYS 39 + QD PHE 35 OK 24 57 50 86 2.9-6.3 2.9/5939=32, 4.4/4657=31...(16) HB ILE 68 - QD PHE 35 far 0 95 0 - 6.1-7.8 HB3 PRO 14 - QD PHE 35 far 0 100 0 - 8.0-21.8 HB2 ARG 66 - QD PHE 35 far 0 98 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 4561 from anoeabs.peaks (1.76, 6.65, 132.79 ppm; 3.56 A): 4 out of 10 assignments used, quality = 1.00: HG2 PRO 34 + QD PHE 35 OK 100 100 100 100 2.4-4.5 1.8/4243=53, 2.3/4649=50...(29) HB2 PRO 34 + QD PHE 35 OK 75 75 100 100 2.7-4.6 2.3/4243=49, 3.0/4649=44...(29) HB ILE 33 + QD PHE 35 OK 42 95 45 97 4.2-6.0 2.1/4567=63, ~4583=36...(18) HB3 LYS 39 + QD PHE 35 OK 23 68 40 85 2.2-6.4 2.9/5939=30, 4.4/4657=30...(17) HB2 ARG 54 - QD PHE 35 poor 20 98 20 - 4.7-9.7 HB2 LEU 57 - QD PHE 35 far 0 97 0 - 6.4-8.7 HB3 ARG 17 - QD PHE 35 far 0 94 0 - 6.9-21.9 HB2 LYS 32 - QD PHE 35 far 0 88 0 - 8.1-10.3 HB3 LYS 32 - QD PHE 35 far 0 88 0 - 8.4-10.9 HB2 LEU 62 - QD PHE 35 far 0 97 0 - 9.4-11.2 Violated in 1 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 = 0.93: QG2 VAL 65 + QD PHE 35 OK 82 98 90 94 3.5-5.1 4576/2.2=34, 2.1/5031=33...(20) HG13 ILE 40 + QD PHE 35 OK 61 62 100 98 2.3-4.0 2.1/4318=49, 1.8/4322=37...(22) QG1 VAL 65 - QD PHE 35 poor 20 60 40 83 3.6-6.6 5031=20, 4576/2.2=19...(16) HG13 ILE 33 - QD PHE 35 far 4 90 5 - 4.9-7.4 HG LEU 52 - QD PHE 35 far 0 98 0 - 5.5-7.7 QG2 THR 15 - QD PHE 35 far 0 95 0 - 7.2-19.5 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 2.0-3.9 4318=40, 4577/2.2=28...(27) HG3 PRO 34 + QD PHE 35 OK 85 86 100 98 1.8-3.7 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 7 assignments used, quality = 1.00: HG LEU 51 + QD PHE 35 OK 100 100 100 100 2.5-4.8 2.1/4568=80, 2.1/4534=75...(23) HG12 ILE 68 - QD PHE 35 far 0 70 0 - 5.8-10.0 QD1 LEU 86 - QD PHE 35 far 0 98 0 - 6.9-31.8 QD1 LEU 62 - QD PHE 35 far 0 78 0 - 7.5-10.0 QG2 VAL 76 - QD PHE 35 far 0 70 0 - 8.7-17.8 QD1 LEU 29 - QD PHE 35 far 0 90 0 - 8.8-11.2 QG1 VAL 76 - QD PHE 35 far 0 70 0 - 9.0-15.7 Violated in 4 structures by 0.07 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 4.6-5.7 3.2/4567=68, 4579/2.2=42...(19) QD2 LEU 57 + QD PHE 35 OK 98 98 100 100 3.7-4.8 5742=56, 4636/4629=54...(26) Violated in 4 structures by 0.02 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 60 100 100 2.3-3.6 4583/2.2=67, 4.1/4649=37...(26) 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 2.7-3.5 2.1/4534=64, 4584/2.2=62...(34) Violated in 0 structures by 0.00 A. Peak 4570 from anoeabs.peaks (3.80, 6.94, 130.03 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 52 + QE PHE 35 OK 99 99 100 100 2.5-5.0 2287/4581=73...(12) Violated in 2 structures by 0.04 A. Peak 4571 from anoeabs.peaks (2.94, 6.94, 130.03 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: HB3 TYR 55 + QE PHE 35 OK 100 100 100 100 2.5-5.2 1.8/4572=87, 2.5/4658=82...(21) HB3 PHE 35 + QE PHE 35 OK 60 60 100 100 4.4-4.4 4.5=100 HE3 LYS 13 - QE PHE 35 far 0 65 0 - 8.9-24.5 HE2 LYS 32 - QE PHE 35 far 0 93 0 - 9.2-14.1 HE3 LYS 32 - QE PHE 35 far 0 92 0 - 9.3-13.5 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 2.0-4.0 2.5/4658=73, ~5716=50...(21) Violated in 0 structures by 0.00 A. Peak 4573 from anoeabs.peaks (1.89, 6.94, 130.03 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.99: HG12 ILE 40 + QE PHE 35 OK 93 93 100 100 2.3-3.9 4322/2.2=54, 2.1/4577=47...(30) HB3 PRO 34 + QE PHE 35 OK 89 89 100 100 4.1-5.2 3.0/4687=56, ~4243=44...(25) HB ILE 68 + QE PHE 35 OK 34 99 55 62 4.8-7.0 5246/4577=28...(8) HB2 ARG 66 - QE PHE 35 far 0 92 0 - 7.6-9.7 HB3 PRO 14 - QE PHE 35 far 0 100 0 - 9.3-22.2 Violated in 0 structures by 0.00 A. Peak 4574 from anoeabs.peaks (1.76, 6.94, 130.03 ppm; 4.52 A): 6 out of 11 assignments used, quality = 1.00: HG2 PRO 34 + QE PHE 35 OK 100 100 100 100 2.7-3.8 4242/2.2=71, 2.3/4687=70...(36) HB2 PRO 34 + QE PHE 35 OK 85 85 100 100 3.7-5.3 3.0/4687=63, 2.3/5935=50...(32) HB2 ARG 54 + QE PHE 35 OK 62 100 70 89 3.9-9.3 5707/2.2=38...(9) HB ILE 33 + QE PHE 35 OK 54 99 55 100 4.9-6.6 2.1/4583=90, ~4567=58...(23) HB2 LEU 57 + QE PHE 35 OK 49 99 50 99 4.4-6.9 3.0/4688=66, 3.1/4577=42...(18) HB3 LYS 39 + QE PHE 35 OK 29 78 40 92 4.0-8.0 5205/4584=38, ~5940=38...(14) HB2 LEU 62 - QE PHE 35 far 0 93 0 - 7.4-9.2 HB2 LYS 32 - QE PHE 35 far 0 95 0 - 7.4-10.2 HB3 LYS 32 - QE PHE 35 far 0 95 0 - 8.1-11.1 HB3 ARG 17 - QE PHE 35 far 0 89 0 - 8.8-22.2 HB2 LYS 13 - QE PHE 35 far 0 60 0 - 9.7-24.7 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 97 1.9-3.6 4726/4581=31...(34) HG13 ILE 40 + QE PHE 35 OK 63 65 100 97 2.0-3.2 2.1/4577=31, ~4318=23...(28) QG1 VAL 65 + QE PHE 35 OK 55 63 95 92 1.9-4.8 4719=20, 4728/4581=20...(28) HG13 ILE 33 - QE PHE 35 far 14 92 15 - 4.1-7.4 HG LEU 52 - QE PHE 35 far 10 98 10 - 3.6-6.3 QG2 THR 15 - QE PHE 35 far 0 95 0 - 8.7-19.6 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 1.9-3.1 4318/2.2=33...(38) QD1 LEU 57 + QE PHE 35 OK 85 87 100 98 1.9-3.8 2.1/4688=35, 2.1/4579=29...(26) 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 8 assignments used, quality = 0.98: QG2 ILE 40 + QE PHE 35 OK 90 90 100 100 3.0-4.6 3.0/4577=36...(37) HG LEU 51 + QE PHE 35 OK 78 78 100 100 2.4-4.7 2.1/4584=70, 2.1/4580=65...(15) HG12 ILE 68 - QE PHE 35 far 10 99 10 - 4.4-9.4 QD2 LEU 62 - QE PHE 35 far 5 90 5 - 4.9-7.6 QG2 VAL 41 - QE PHE 35 far 0 81 0 - 6.6-7.7 QD1 LEU 86 - QE PHE 35 far 0 68 0 - 8.0-32.4 QG2 VAL 76 - QE PHE 35 far 0 99 0 - 8.8-16.7 QG1 VAL 76 - QE PHE 35 far 0 99 0 - 9.6-15.5 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 2.0-3.8 2.1/4688=45, 2.1/4577=37...(27) QD1 ILE 33 + QE PHE 35 OK 93 100 95 98 3.5-5.1 3.2/4583=48, ~4567=24...(23) Violated in 2 structures by 0.01 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 3.2-4.7 2.1/4584=76, 4534/2.2=65...(28) Violated in 6 structures by 0.07 A. Peak 4581 from anoeabs.peaks (0.51, 6.94, 130.03 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 52 + QE PHE 35 OK 99 100 100 99 2.4-3.8 2.1/4582=51...(20) Violated in 1 structures by 0.00 A. Peak 4582 from anoeabs.peaks (0.44, 6.94, 130.03 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 52 + QE PHE 35 OK 94 99 95 100 4.4-6.0 2.1/4581=89, 3.9/4570=54...(17) Violated in 18 structures by 0.40 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 2.4-3.8 4567/2.2=64, 4596/2.2=45...(29) Violated in 2 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 2.6-3.7 4568/2.2=74, 2.1/4580=66...(26) Violated in 0 structures by 0.00 A. Peak 4585 from anoeabs.peaks (3.95, 6.95, 128.72 ppm; 4.16 A): 1 out of 13 assignments used, quality = 0.47: HA ARG 66 + HZ PHE 48 OK 47 52 100 90 2.0-4.0 4735=43, 4.1/4589=43...(12) HA LEU 62 - HZ PHE 35 poor 17 73 30 75 5.0-6.5 6069/4591=34...(9) HA LEU 62 - HZ PHE 48 poor 14 64 35 63 4.6-6.6 4723/4719=20...(7) HA GLN 61 - HZ PHE 35 far 0 89 0 - 6.5-9.3 HA ARG 66 - HZ PHE 35 far 0 60 0 - 6.6-8.4 HA THR 37 - HZ PHE 35 far 0 96 0 - 6.7-8.4 HA THR 37 - HZ PHE 48 far 0 87 0 - 7.4-9.1 HA ALA 28 - HZ PHE 35 far 0 97 0 - 7.6-10.2 HA GLU 50 - HZ PHE 35 far 0 90 0 - 7.8-11.1 HA GLN 61 - HZ PHE 48 far 0 79 0 - 8.7-10.8 HA2 GLY 72 - HZ PHE 48 far 0 83 0 - 9.2-12.2 HA LYS 32 - HZ PHE 35 far 0 60 0 - 9.3-11.7 HA GLU 50 - HZ PHE 48 far 0 81 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 4586 from anoeabs.peaks (3.62, 6.95, 128.72 ppm; 4.27 A): 4 out of 6 assignments used, quality = 0.95: HA VAL 65 + HZ PHE 48 OK 72 86 90 93 4.4-5.9 ~4718=39, 4606/2.2=30...(14) HA VAL 65 + HZ PHE 35 OK 61 95 75 87 4.6-6.3 3.2/4719=25, 3.2/4717=25...(14) HA ILE 40 + HZ PHE 48 OK 45 83 55 99 4.4-6.5 5120/2.2=70, 4325/3.8=49...(19) HA ARG 69 + HZ PHE 48 OK 24 88 30 92 5.0-7.7 3.0/5978=29, ~5979=27...(15) HA ILE 40 - HZ PHE 35 far 9 92 10 - 5.6-6.9 HA ARG 69 - HZ PHE 35 far 0 97 0 - 9.1-11.3 Violated in 9 structures by 0.07 A. Peak 4588 from anoeabs.peaks (1.91, 6.95, 128.72 ppm; 4.59 A): 2 out of 8 assignments used, quality = 0.96: HG12 ILE 40 + HZ PHE 35 OK 94 100 95 99 4.7-6.2 4322/4534=52, 4321=49...(20) HB ILE 68 + HZ PHE 48 OK 31 87 60 60 4.8-7.0 5246/4317=17...(11) HG12 ILE 40 - HZ PHE 48 far 14 93 15 - 5.4-7.8 HG13 ILE 68 - HZ PHE 48 far 8 83 10 - 5.5-8.9 HB ILE 68 - HZ PHE 35 far 0 96 0 - 6.6-9.1 HG13 ILE 68 - HZ PHE 35 far 0 92 0 - 6.6-10.8 HB2 MET 31 - HZ PHE 35 far 0 65 0 - 7.4-10.3 HB VAL 41 - HZ PHE 48 far 0 71 0 - 9.4-11.1 Violated in 19 structures by 0.45 A. Peak 4589 from anoeabs.peaks (1.72, 6.95, 128.72 ppm; 4.61 A): 1 out of 9 assignments used, quality = 0.64: HG3 ARG 66 + HZ PHE 48 OK 64 66 100 97 3.2-6.0 1.8/5969=54, 4.1/4605=53...(9) HG2 ARG 70 - HZ PHE 48 far 9 89 10 - 5.9-10.7 HG3 ARG 66 - HZ PHE 35 far 0 76 0 - 6.8-9.9 HB2 LEU 62 - HZ PHE 48 far 0 54 0 - 6.9-9.0 HB2 LEU 43 - HZ PHE 48 far 0 92 0 - 6.9-8.6 HB2 LEU 62 - HZ PHE 35 far 0 63 0 - 7.1-9.0 HB2 LEU 43 - HZ PHE 35 far 0 99 0 - 7.4-9.7 HB3 LEU 64 - HZ PHE 48 far 0 71 0 - 8.9-10.3 HB3 LEU 64 - HZ PHE 35 far 0 81 0 - 9.0-11.0 Violated in 10 structures by 0.39 A. Peak 4590 from anoeabs.peaks (1.22, 6.95, 128.72 ppm; 2.81 A): 6 out of 12 assignments used, quality = 1.00: QG2 VAL 65 + HZ PHE 35 OK 85 100 100 86 1.9-4.0 4576/2.2=21, 4717=18...(24) QG1 VAL 65 + HZ PHE 35 OK 70 89 95 83 1.9-4.4 4719=21, 2.1/4717=15...(21) QG1 VAL 65 + HZ PHE 48 OK 66 79 100 84 1.9-3.0 4718/2.2=34, 4719=22...(21) QG2 VAL 65 + HZ PHE 48 OK 45 94 60 81 3.0-5.6 ~4718=21, 2.1/4719=17...(19) HG LEU 52 + HZ PHE 48 OK 29 73 50 80 3.8-5.0 2.1/4595=23, 2.1/4594=22...(11) HG13 ILE 40 + HZ PHE 35 OK 24 90 35 77 3.9-5.0 1.8/4588=17...(18) HG2 ARG 69 - HZ PHE 48 poor 19 62 30 - 3.8-7.3 HG LEU 52 - HZ PHE 35 far 12 83 15 - 2.3-6.2 HG13 ILE 40 - HZ PHE 48 far 8 81 10 - 3.7-6.8 HG13 ILE 33 - HZ PHE 35 far 5 100 5 - 4.2-8.5 HG13 ILE 33 - HZ PHE 48 far 0 93 0 - 7.2-11.4 HG2 ARG 69 - HZ PHE 35 far 0 71 0 - 8.1-11.3 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 1.9-3.3 4617=45, ~4688=34...(25) QD1 LEU 57 - HZ PHE 48 poor 14 90 25 61 4.8-6.8 4554/4594=27...(8) QG1 VAL 45 - HZ PHE 48 far 0 94 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 4592 from anoeabs.peaks (0.90, 6.95, 128.72 ppm; 3.96 A): 4 out of 14 assignments used, quality = 0.98: HG LEU 51 + HZ PHE 35 OK 91 97 95 98 3.3-5.5 4564/4534=48, ~4584=43...(12) QG2 ILE 40 + HZ PHE 48 OK 54 54 100 99 2.3-3.7 4323/2.2=46, ~5612=32...(28) QG2 ILE 40 + HZ PHE 35 OK 51 63 85 96 4.4-6.0 3.2/4588=35, 4578/2.2=34...(23) QD2 LEU 62 + HZ PHE 48 OK 25 54 80 57 3.5-6.5 4680/4595=18...(8) QD2 LEU 62 - HZ PHE 35 poor 13 63 20 - 4.2-7.5 HG12 ILE 68 - HZ PHE 48 far 4 75 5 - 5.4-9.8 QD1 LEU 62 - HZ PHE 35 far 0 63 0 - 5.8-8.3 QD1 LEU 62 - HZ PHE 48 far 0 54 0 - 5.9-8.3 HG12 ILE 68 - HZ PHE 35 far 0 85 0 - 6.1-11.4 QG1 VAL 76 - HZ PHE 48 far 0 75 0 - 6.7-15.7 HG LEU 51 - HZ PHE 48 far 0 89 0 - 6.8-9.2 QG2 VAL 76 - HZ PHE 48 far 0 75 0 - 7.5-13.9 QD1 LEU 86 - HZ PHE 48 far 0 84 0 - 9.6-34.0 QD1 LEU 86 - HZ PHE 35 far 0 93 0 - 9.9-36.8 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 3.2-5.7 3.2/4596=55, 4579/2.2=43...(19) QD2 LEU 57 + HZ PHE 35 OK 93 93 100 100 2.3-4.2 2.1/4591=76, ~4688=47...(25) QD1 ILE 33 - HZ PHE 48 far 0 89 0 - 6.3-8.7 QD2 LEU 57 - HZ PHE 48 far 0 84 0 - 6.4-9.0 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 96 98 100 98 1.9-3.3 4581/2.2=55...(19) QD2 LEU 52 + HZ PHE 48 OK 87 90 100 97 2.2-4.0 4540/2.2=50, 2.1/4595=34...(14) Violated in 0 structures by 0.00 A. Peak 4595 from anoeabs.peaks (0.43, 6.95, 128.72 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 52 + HZ PHE 48 OK 84 86 100 98 2.2-3.3 4538/2.2=56, ~4540=34...(17) QD1 LEU 52 + HZ PHE 35 OK 67 95 75 95 3.6-5.7 4582/2.2=44, 2.1/4594=37...(14) 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 2.8-4.7 4583/2.2=92...(22) QG2 ILE 33 - HZ PHE 48 far 0 79 0 - 6.4-8.6 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 = 0.95: QD2 LEU 51 + HZ PHE 35 OK 83 83 100 100 2.7-4.3 4584/2.2=91...(23) QD2 LEU 51 + HZ PHE 48 OK 71 73 100 97 5.2-6.2 6095/2.2=62, 4527/3.8=55...(11) 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 3.4-5.4 1.8/4649=69, 2.3/4243=62...(24) HD3 PRO 36 + QD PHE 35 OK 82 82 100 100 3.8-5.0 4257/2.6=61, 4251/3.7=59...(22) Violated in 4 structures by 0.06 A. Peak 4599 from anoeabs.peaks (3.88, 6.65, 132.79 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.99: HD2 PRO 36 + QD PHE 35 OK 97 97 100 100 3.6-5.0 4260/2.6=71, 5577/2.6=69...(21) HA ILE 33 + QD PHE 35 OK 49 99 50 100 4.7-6.1 3.2/4567=66, 3.8/4649=51...(17) HA LEU 51 + QD PHE 35 OK 38 96 40 98 5.0-7.2 2245/4534=63...(10) Violated in 15 structures by 0.17 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 2.4-3.6 582=75, 4209/4208=38...(21) 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 2.2-3.8 4629=95, 4658/2.2=61...(27) Violated in 2 structures by 0.01 A. Peak 4603 from anoeabs.peaks (8.64, 7.06, 131.49 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: H ASN 49 + QD PHE 48 OK 99 99 100 100 3.0-3.6 180=98, 177/2.5=84...(13) H VAL 45 + QD PHE 48 OK 65 77 85 99 5.1-6.1 3.0/4418=63, 4.0/4421=53...(10) 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 2.7-4.5 4605/2.2=56, 6072=52...(16) HA ARG 70 - QE PHE 48 far 0 100 0 - 6.6-9.0 HA VAL 76 - QE PHE 48 far 0 57 0 - 8.6-16.7 Violated in 2 structures by 0.01 A. Peak 4605 from anoeabs.peaks (3.98, 6.95, 128.89 ppm; 3.98 A): 1 out of 11 assignments used, quality = 0.97: HA ARG 66 + HZ PHE 48 OK 97 100 100 97 2.0-4.0 4735=64, 6072/2.2=46...(16) HA GLN 61 - HZ PHE 35 far 0 84 0 - 6.5-9.3 HA ARG 66 - HZ PHE 35 far 0 94 0 - 6.6-8.4 HA ARG 70 - HZ PHE 48 far 0 76 0 - 7.1-10.1 HA ALA 28 - HZ PHE 35 far 0 71 0 - 7.6-10.2 HA GLU 50 - HZ PHE 35 far 0 83 0 - 7.8-11.1 HA ARG 54 - HZ PHE 35 far 0 52 0 - 8.1-10.7 HA GLN 61 - HZ PHE 48 far 0 93 0 - 8.7-10.8 HA2 GLY 72 - HZ PHE 48 far 0 90 0 - 9.2-12.2 HA LYS 32 - HZ PHE 35 far 0 94 0 - 9.3-11.7 HA GLU 50 - HZ PHE 48 far 0 92 0 - 9.4-10.4 Violated in 1 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 4.2-5.2 3.2/4718=61, 3.2/4716=36...(18) HA ILE 40 + QE PHE 48 OK 85 85 100 100 2.7-4.5 5120=85, 3.2/4323=59...(24) HA ARG 69 + QE PHE 48 OK 43 92 50 93 4.8-7.0 3.9/4784=31, 3.9/5981=30...(14) Violated in 2 structures by 0.01 A. Peak 4607 from anoeabs.peaks (2.87, 7.15, 131.07 ppm; 4.66 A): 2 out of 5 assignments used, quality = 0.95: HB3 PHE 48 + QE PHE 48 OK 93 93 100 100 4.4-4.5 4.4=100 HB2 ASN 49 + QE PHE 48 OK 29 57 55 92 5.1-6.5 4.0/5667=49, ~4492=36...(7) HB2 PHE 35 - QE PHE 48 far 0 92 0 - 6.4-8.3 HB2 ASP 67 - QE PHE 48 far 0 57 0 - 7.6-9.2 HB3 ASP 67 - QE PHE 48 far 0 63 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 4609 from anoeabs.peaks (2.01, 7.15, 131.07 ppm; 4.83 A): 3 out of 6 assignments used, quality = 1.00: HG2 ARG 66 + QE PHE 48 OK 95 100 95 100 2.1-6.7 1.8/5966=61, 4.1/4604=61...(10) HD3 ARG 69 + QE PHE 48 OK 80 81 100 100 2.3-6.1 3.0/4784=51, 3.0/5981=50...(20) HD2 ARG 69 + QE PHE 48 OK 80 81 100 100 2.8-5.7 3.0/4784=51, 3.0/5981=50...(19) HB3 GLN 79 - QE PHE 48 far 5 92 5 - 6.0-21.4 HG LEU 43 - QE PHE 48 far 0 81 0 - 6.8-8.6 QE MET 31 - QE PHE 48 far 0 83 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 4610 from anoeabs.peaks (1.22, 7.15, 131.07 ppm; 3.54 A): 5 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + QE PHE 48 OK 99 100 100 99 2.4-4.7 2.1/4718=62...(25) HG13 ILE 40 + QE PHE 48 OK 90 90 100 99 2.0-4.6 3.2/4323=46, 2.1/4611=43...(24) QG1 VAL 65 + QE PHE 48 OK 88 89 100 99 1.9-3.1 4718=77, 4728/4540=32...(27) HG LEU 52 + QE PHE 48 OK 82 83 100 99 2.4-4.3 2.1/4538=61, 2.1/4540=54...(17) HG2 ARG 69 + QE PHE 48 OK 38 71 60 90 3.1-6.4 1.8/4784=25, 3.0/4789=20...(18) HG13 ILE 33 - QE PHE 48 far 0 100 0 - 6.1-10.2 Violated in 0 structures by 0.00 A. Peak 4611 from anoeabs.peaks (1.03, 7.15, 131.07 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QE PHE 48 OK 100 100 100 100 3.0-4.1 4316=93, 1942/4323=75...(28) HG3 PRO 34 - QE PHE 48 far 5 98 5 - 5.9-9.4 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 1.9-3.1 4323=95, 5128/2.2=56...(36) QD2 LEU 62 + QE PHE 48 OK 71 100 80 89 3.9-6.3 4680/4538=52...(9) QG1 VAL 76 - QE PHE 48 far 10 100 10 - 4.8-13.8 HG12 ILE 68 - QE PHE 48 far 10 100 10 - 5.3-9.4 QG2 VAL 41 - QE PHE 48 far 10 98 10 - 5.4-7.1 QD2 LEU 43 - QE PHE 48 far 0 85 0 - 6.1-8.0 QG2 VAL 76 - QE PHE 48 far 0 100 0 - 6.2-12.4 QD1 LEU 64 - QE PHE 48 far 0 60 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 4613 from anoeabs.peaks (0.52, 7.15, 131.07 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 52 + QE PHE 48 OK 100 100 100 100 1.9-3.1 4540=94, 2.1/4538=87...(22) 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 2.1-3.0 4538=96, 2.1/4540=72...(26) Violated in 0 structures by 0.00 A. Peak 4615 from anoeabs.peaks (1.22, 6.95, 128.89 ppm; 2.81 A): 6 out of 12 assignments used, quality = 0.99: QG2 VAL 65 + HZ PHE 35 OK 79 94 100 84 1.9-4.0 4576/2.2=21, 4717=18...(24) QG1 VAL 65 + HZ PHE 48 OK 75 89 100 84 1.9-3.0 4718/2.2=34, 4719=22...(21) QG1 VAL 65 + HZ PHE 35 OK 62 79 95 82 1.9-4.4 4719=21, 2.1/4717=15...(21) QG2 VAL 65 + HZ PHE 48 OK 49 100 60 81 3.0-5.6 ~4718=21, 2.1/4719=17...(19) HG LEU 52 + HZ PHE 48 OK 33 83 50 81 3.8-5.0 2.1/4619=24, 2.1/4618=23...(10) HG13 ILE 40 + HZ PHE 35 OK 22 81 35 77 3.9-5.0 1.8/4588=15, 4320/3.8=14...(18) HG2 ARG 69 - HZ PHE 48 poor 15 71 30 71 3.8-7.3 1.8/4652=14, ~4784=12...(17) HG LEU 52 - HZ PHE 35 far 11 73 15 - 2.3-6.2 HG13 ILE 40 - HZ PHE 48 far 9 90 10 - 3.7-6.8 HG13 ILE 33 - HZ PHE 35 far 5 93 5 - 4.2-8.5 HG13 ILE 33 - HZ PHE 48 far 0 100 0 - 7.2-11.4 HG2 ARG 69 - HZ PHE 35 far 0 62 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 4616 from anoeabs.peaks (1.01, 6.95, 128.89 ppm; 3.66 A): 3 out of 5 assignments used, quality = 0.98: QD1 LEU 57 + HZ PHE 35 OK 81 83 100 99 1.9-3.3 4617=40, 4577/2.2=38...(25) QD1 ILE 40 + HZ PHE 35 OK 72 73 100 98 3.7-5.1 4577/2.2=40, 4318/3.8=31...(28) QD1 ILE 40 + HZ PHE 48 OK 69 83 85 98 3.8-5.5 4316/2.2=36, ~4323=28...(22) QD1 LEU 57 - HZ PHE 48 poor 18 92 20 - 4.8-6.8 QG1 VAL 45 - HZ PHE 48 far 0 71 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 4617 from anoeabs.peaks (0.93, 6.95, 128.89 ppm; 3.72 A): 3 out of 14 assignments used, quality = 1.00: QG2 ILE 40 + HZ PHE 48 OK 99 100 100 100 2.3-3.7 4323/2.2=65...(30) QG2 ILE 40 + HZ PHE 35 OK 58 93 65 96 4.4-6.0 4578/2.2=31, 3.2/4588=26...(23) QD2 LEU 62 + HZ PHE 48 OK 44 100 60 73 3.5-6.5 4680/4619=28...(9) QD2 LEU 62 - HZ PHE 35 poor 19 93 20 - 4.2-7.5 HG12 ILE 68 - HZ PHE 48 far 0 100 0 - 5.4-9.8 QD1 LEU 64 - HZ PHE 35 far 0 52 0 - 6.0-9.8 HG12 ILE 68 - HZ PHE 35 far 0 93 0 - 6.1-11.4 QG2 VAL 41 - HZ PHE 48 far 0 98 0 - 6.5-8.3 QD1 LEU 64 - HZ PHE 48 far 0 60 0 - 6.6-9.4 QG1 VAL 76 - HZ PHE 48 far 0 100 0 - 6.7-15.7 QG2 VAL 76 - HZ PHE 48 far 0 100 0 - 7.5-13.9 QD2 LEU 43 - HZ PHE 35 far 0 75 0 - 7.5-10.4 QD2 LEU 43 - HZ PHE 48 far 0 85 0 - 8.0-9.9 QG2 VAL 41 - HZ PHE 35 far 0 90 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 4618 from anoeabs.peaks (0.51, 6.95, 128.89 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 52 + HZ PHE 48 OK 98 100 100 98 2.2-4.0 4540/2.2=53, 2.1/4619=37...(14) QD2 LEU 52 + HZ PHE 35 OK 92 94 100 98 1.9-3.3 4581/2.2=57, 4541=33...(19) Violated in 0 structures by 0.00 A. Peak 4619 from anoeabs.peaks (0.45, 6.95, 128.89 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 52 + HZ PHE 48 OK 99 100 100 99 2.2-3.3 4538/2.2=62...(17) QD1 LEU 52 + HZ PHE 35 OK 66 93 75 95 3.6-5.7 4582/2.2=43, ~4581=38...(14) 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 3 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 99 99 100 100 2.0-3.6 4325=96, 5120/2.2=85...(24) HA ARG 69 + QD PHE 48 OK 30 100 35 87 5.8-7.5 ~5979=33, 4769/5128=27...(13) HA VAL 65 - QD PHE 48 far 0 99 0 - 6.4-7.4 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 4.0-6.5 4716/2.2=90, ~4718=85...(18) HG13 ILE 40 + QD PHE 48 OK 90 90 100 100 3.1-4.4 2.1/5619=90, 1.8/5618=87...(24) QG1 VAL 65 + QD PHE 48 OK 88 88 100 100 3.6-4.9 4718/2.2=89...(20) HG LEU 52 + QD PHE 48 OK 82 82 100 100 3.1-4.2 2.1/4959=98, 2.1/5361=98...(14) HG2 ARG 69 + QD PHE 48 OK 70 70 100 100 3.5-6.7 ~4784=65, 5981/2.2=55...(18) HG13 ILE 33 - QD PHE 48 far 0 99 0 - 7.9-11.8 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 4.4-6.3 2.1/4370=96, 4919=94...(18) QG2 ILE 40 + QD PHE 48 OK 98 98 100 100 2.4-3.8 4323/2.2=97, 5128=95...(38) QG2 VAL 41 + QD PHE 48 OK 82 100 95 87 5.6-6.9 5130/4325=38...(12) QD2 LEU 62 + QD PHE 48 OK 71 98 75 97 5.3-7.5 4680/4959=74...(7) QG2 VAL 76 - QD PHE 48 poor 18 88 20 - 5.9-13.5 QG1 VAL 76 - QD PHE 48 far 13 88 15 - 4.3-13.4 HG12 ILE 68 - QD PHE 48 far 0 88 0 - 7.3-10.7 QD1 LEU 64 - QD PHE 48 far 0 88 0 - 8.0-10.6 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 2.7-4.5 4370=95, 4468/3.7=56...(20) QG2 ILE 68 - QD PHE 48 far 10 97 10 - 5.6-7.5 QG1 VAL 41 - QD PHE 48 far 0 77 0 - 6.4-7.7 QD2 LEU 64 - QD PHE 48 far 0 65 0 - 8.1-9.8 Violated in 6 structures by 0.04 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 2.6-3.3 4527=100, 4520/4370=61...(20) 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 2.9-4.0 4614/2.2=99, 2.1/5361=98...(19) 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 2.1-3.3 687=99, 684/2.5=64...(23) H GLN 61 - QD TYR 55 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 4628 from anoeabs.peaks (6.94, 7.34, 134.10 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD TYR 55 OK 99 99 100 100 2.0-3.8 4658=74, 2.2/4629=66...(23) HZ PHE 35 + QD TYR 55 OK 44 99 45 98 4.4-5.9 2.2/4658=58...(19) HZ PHE 48 - QD TYR 55 far 0 98 0 - 8.4-10.4 Violated in 1 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 2.2-3.8 4601=98, 2.2/4658=60...(27) Violated in 2 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 2.0-3.9 4.6=48, 3.8/4555=46...(11) HD3 PRO 56 + QD TYR 55 OK 97 100 100 97 3.5-4.7 4.6=48, 3.8/4555=46...(11) Violated in 1 structures by 0.00 A. Peak 4631 from anoeabs.peaks (3.80, 7.34, 134.10 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 52 + QD TYR 55 OK 99 99 100 100 3.6-4.8 6131=82, 4581/687=65...(9) Violated in 3 structures by 0.03 A. Peak 4632 from anoeabs.peaks (3.88, 7.34, 134.10 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 51 + QD TYR 55 OK 96 97 100 100 3.1-4.4 5220/4634=53...(16) HA ILE 33 - QD TYR 55 far 0 99 0 - 5.9-7.6 HD2 PRO 36 - QD TYR 55 far 0 97 0 - 6.8-8.8 Violated in 2 structures by 0.01 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 2.2-4.3 2.3/4666=39, 4246=36...(30) HB2 ARG 54 + QD TYR 55 OK 96 97 100 100 2.2-4.4 1.8/4634=59, ~4644=35...(25) HB2 PRO 34 + QD TYR 55 OK 70 71 100 99 2.0-3.5 1.8/4666=41, 2.3/4246=35...(29) HB2 LEU 57 - QD TYR 55 far 0 96 0 - 5.2-7.8 HB3 LYS 39 - QD TYR 55 far 0 63 0 - 7.2-10.4 HB ILE 33 - QD TYR 55 far 0 93 0 - 7.5-9.0 HB2 LYS 32 - QD TYR 55 far 0 85 0 - 8.2-10.5 HB3 LYS 32 - QD TYR 55 far 0 85 0 - 8.3-11.1 HB2 LEU 62 - QD TYR 55 far 0 99 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 4634 from anoeabs.peaks (1.54, 7.34, 134.10 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: HB3 ARG 54 + QD TYR 55 OK 99 99 100 100 3.0-4.2 4644/2.2=62, 3.0/4662=44...(26) HG2 LYS 39 - QD TYR 55 far 0 99 0 - 6.5-8.8 HG LEU 62 - QD TYR 55 far 0 73 0 - 7.5-9.7 Violated in 2 structures by 0.03 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 2.0-4.4 2.3/4666=61, 1.8/4246=60...(27) QD1 LEU 57 + QD TYR 55 OK 65 65 100 100 3.2-5.1 2.1/4636=72, 5149/2.5=53...(20) QD1 ILE 40 - QD TYR 55 far 0 99 0 - 6.9-8.2 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 3.2-4.4 4587/2.5=56, 4604/2.5=55...(22) QD1 ILE 33 - QD TYR 55 far 0 100 0 - 5.7-8.2 Violated in 13 structures by 0.11 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 2.2-4.2 4647/2.2=87, 2.1/4655=65...(29) Violated in 2 structures by 0.01 A. Peak 4638 from anoeabs.peaks (3.90, 6.81, 118.01 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.98: HA LEU 51 + QE TYR 55 OK 98 98 100 100 3.5-4.3 2245/4533=73...(14) HB3 SER 22 - QE TYR 81 far 3 63 5 - 2.3-25.6 HD2 PRO 36 - QE TYR 55 far 3 59 5 - 5.6-7.9 HA ILE 33 - QE TYR 55 far 0 95 0 - 6.7-8.9 HD2 PRO 36 - QE TYR 81 far 0 32 0 - 9.7-29.1 HA LEU 62 - QE TYR 55 far 0 75 0 - 9.7-11.8 Violated in 1 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 4.3-4.8 4555/2.2=89, 3.0/5713=56...(8) Violated in 19 structures by 0.21 A. Peak 4640 from anoeabs.peaks (3.02, 6.81, 118.01 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.92: HD3 ARG 54 + QE TYR 55 OK 64 94 70 98 2.2-5.8 3.6/4644=47, 4565=32...(15) HD2 ARG 54 + QE TYR 55 OK 60 95 65 98 2.1-6.0 3.6/4644=47, 3.0/4969=31...(15) HB2 TYR 81 + QE TYR 81 OK 43 52 100 82 4.4-4.5 4.4=58, ~4674=32...(6) Violated in 15 structures by 0.08 A. Peak 4641 from anoeabs.peaks (2.94, 6.81, 118.01 ppm; 4.05 A): 2 out of 10 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...(11) HB3 PHE 35 + QE TYR 55 OK 57 59 100 97 2.6-4.9 2.6/5712=58, ~4601=41...(11) HE3 LYS 13 - QE TYR 55 far 3 65 5 - 4.5-30.2 HE3 LYS 73 - QE TYR 81 far 3 57 5 - 4.3-18.8 HE2 LYS 73 - QE TYR 81 far 3 56 5 - 3.1-18.9 HE2 LYS 13 - QE TYR 55 far 0 62 0 - 5.9-29.4 HE2 LYS 75 - QE TYR 81 far 0 44 0 - 6.4-19.8 HE3 LYS 75 - QE TYR 81 far 0 46 0 - 7.7-19.0 HE3 LYS 32 - QE TYR 55 far 0 91 0 - 8.9-14.6 HE2 LYS 32 - QE TYR 55 far 0 92 0 - 9.5-14.7 Violated in 1 structures by 0.00 A. Peak 4642 from anoeabs.peaks (2.82, 6.81, 118.01 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.88: 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 48 62 80 96 4.2-6.2 2.6/5712=64, ~4601=45...(9) HB2 ASN 74 - QE TYR 81 far 0 58 0 - 9.4-17.0 Violated in 9 structures by 0.02 A. Peak 4643 from anoeabs.peaks (1.77, 6.81, 118.01 ppm; 3.41 A): 3 out of 17 assignments used, quality = 0.99: HB2 ARG 54 + QE TYR 55 OK 89 100 90 99 2.8-5.8 1.8/4644=62, ~4634=36...(22) HB2 PRO 34 + QE TYR 55 OK 87 94 95 97 2.0-5.2 1.8/4667=43, 2.3/4664=42...(21) HG2 PRO 34 + QE TYR 55 OK 29 99 30 98 4.1-6.0 1.8/4664=45, 2.3/4667=41...(23) HB3 ARG 82 - QE TYR 81 poor 17 65 35 75 2.8-6.8 4683/2.2=40, 5887/4.4=24...(8) HB2 LYS 83 - QE TYR 81 far 0 55 0 - 5.0-10.9 HB3 LYS 39 - QE TYR 55 far 0 89 0 - 6.1-9.3 HB2 LYS 13 - QE TYR 55 far 0 75 0 - 6.9-29.6 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 7.3-9.9 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 7.3-16.6 HB ILE 33 - QE TYR 55 far 0 100 0 - 7.5-9.6 HB3 LYS 75 - QE TYR 81 far 0 46 0 - 7.6-17.0 HG3 ARG 26 - QE TYR 81 far 0 50 0 - 7.8-28.2 HB3 LYS 39 - QE TYR 81 far 0 53 0 - 7.9-25.6 HG3 ARG 71 - QE TYR 81 far 0 55 0 - 8.5-20.6 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.4-11.5 HB2 LYS 32 - QE TYR 55 far 0 99 0 - 9.5-11.9 HB3 ARG 17 - QE TYR 55 far 0 75 0 - 9.8-26.8 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 12 assignments used, quality = 0.94: HB3 ARG 54 + QE TYR 55 OK 94 99 95 100 2.8-5.3 4634/2.2=60, 4970=35...(20) HG2 ARG 82 - QE TYR 81 poor 15 37 40 - 3.1-6.6 HG3 ARG 54 - QE TYR 55 far 12 77 15 - 3.9-6.1 HG2 LYS 39 - QE TYR 55 far 10 99 10 - 4.9-8.3 HD3 LYS 39 - QE TYR 55 far 9 62 15 - 4.7-7.7 HD2 LYS 39 - QE TYR 55 far 3 59 5 - 5.2-8.0 HD2 LYS 39 - QE TYR 81 far 0 32 0 - 6.8-26.6 HG2 LYS 39 - QE TYR 81 far 0 64 0 - 7.7-25.5 HG3 ARG 23 - QE TYR 81 far 0 57 0 - 7.9-28.1 HD3 LYS 39 - QE TYR 81 far 0 34 0 - 8.0-27.0 HB3 LEU 86 - QE TYR 81 far 0 61 0 - 8.0-19.3 HG LEU 62 - QE TYR 55 far 0 95 0 - 9.3-11.8 Violated in 7 structures by 0.12 A. Peak 4645 from anoeabs.peaks (1.30, 6.81, 118.01 ppm; 4.08 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 54 + QE TYR 55 OK 99 99 100 100 3.1-5.3 3.0/4644=67, 4969=44...(20) HB2 LEU 51 + QE TYR 55 OK 76 80 95 100 4.3-6.1 3.1/4647=71, 3.0/4646=64...(16) QG2 THR 58 - QE TYR 55 far 0 95 0 - 9.1-11.0 HB2 LEU 51 - QE TYR 81 far 0 46 0 - 9.9-26.9 HG2 LYS 32 - QE TYR 55 far 0 88 0 - 9.9-13.4 Violated in 12 structures by 0.04 A. Peak 4646 from anoeabs.peaks (0.87, 6.81, 118.01 ppm; 3.84 A): 1 out of 10 assignments used, quality = 0.75: HG LEU 51 + QE TYR 55 OK 75 75 100 100 2.0-4.3 2.1/4647=82, 2.1/4648=68...(14) QG2 ILE 89 - QE TYR 55 far 0 62 0 - 7.6-39.2 QD1 LEU 86 - QE TYR 81 far 0 49 0 - 7.6-17.3 QD1 LEU 62 - QE TYR 55 far 0 99 0 - 8.2-11.3 QG2 ILE 89 - QE TYR 81 far 0 34 0 - 9.2-22.0 QD2 LEU 64 - QE TYR 55 far 0 70 0 - 9.3-11.0 QD2 LEU 29 - QE TYR 55 far 0 70 0 - 9.3-13.4 QD1 LEU 62 - QE TYR 81 far 0 64 0 - 9.3-24.5 QD1 LEU 29 - QE TYR 81 far 0 60 0 - 9.6-26.4 QD1 LEU 86 - QE TYR 55 far 0 84 0 - 9.8-33.3 Violated in 4 structures by 0.06 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 1.9-3.5 4533=65, 2.1/4646=51...(20) QD1 LEU 51 - QE TYR 81 far 0 41 0 - 7.2-22.7 Violated in 1 structures by 0.01 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 3.2-4.4 2.1/4647=84, 2.1/4646=71...(22) QD2 LEU 51 - QE TYR 81 far 0 65 0 - 8.4-21.2 Violated in 18 structures by 0.20 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 3.4-4.5 2.3/4243=69, 4687/2.2=63...(24) HB3 ASN 42 - QD PHE 35 far 0 88 0 - 7.5-8.9 HB2 ASN 42 - QD PHE 35 far 0 91 0 - 9.0-10.4 Violated in 12 structures by 0.07 A. Peak 4650 from anoeabs.peaks (2.08, 6.65, 132.79 ppm; 4.57 A): 2 out of 5 assignments used, quality = 0.99: HG2 PRO 36 + QD PHE 35 OK 93 98 95 100 4.4-6.1 2.3/5578=61, ~4874=52...(22) HG3 PRO 36 + QD PHE 35 OK 87 96 90 100 5.0-6.1 2.3/5578=61, ~4874=52...(22) HG3 PRO 56 - QD PHE 35 far 0 99 0 - 6.9-9.6 HB2 PRO 56 - QD PHE 35 far 0 100 0 - 8.1-10.6 HB3 MET 31 - QD PHE 35 far 0 93 0 - 8.1-10.0 Violated in 13 structures by 0.08 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 2.9-4.1 4421=92, 3.2/4418=64...(17) QD1 ILE 40 + QD PHE 48 OK 59 59 100 100 4.3-5.3 3.0/5128=61, 4.1/4325=55...(25) HG3 PRO 34 - QD PHE 48 far 0 90 0 - 7.0-9.6 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 13 assignments used, quality = 0.85: HG3 ARG 69 + HZ PHE 48 OK 67 97 70 98 2.8-7.3 4784/2.2=46, ~5981=36...(15) HB3 ARG 69 + HZ PHE 48 OK 54 63 90 96 2.7-6.5 1.8/5978=36, ~5979=36...(16) QB ALA 28 - HZ PHE 35 far 3 54 5 - 5.8-8.4 QB ALA 53 - HZ PHE 35 far 0 59 0 - 6.7-9.1 QB ALA 78 - HZ PHE 48 far 0 81 0 - 7.6-20.9 HG3 ARG 69 - HZ PHE 35 far 0 89 0 - 7.6-11.3 HB3 ARG 69 - HZ PHE 35 far 0 54 0 - 7.8-10.8 QB ALA 77 - HZ PHE 48 far 0 98 0 - 8.2-17.6 HG3 LYS 73 - HZ PHE 48 far 0 81 0 - 8.3-13.7 QB ALA 28 - HZ PHE 48 far 0 63 0 - 8.4-10.3 QB ALA 53 - HZ PHE 48 far 0 68 0 - 8.6-9.4 QB ALA 16 - HZ PHE 35 far 0 92 0 - 8.9-19.0 QB ALA 20 - HZ PHE 48 far 0 97 0 - 9.8-20.3 Violated in 9 structures by 0.20 A. Peak 4653 from anoeabs.peaks (1.78, 6.95, 128.89 ppm; 4.85 A): 5 out of 15 assignments used, quality = 0.99: HB2 ARG 69 + HZ PHE 48 OK 88 89 100 100 3.1-5.4 5047/4605=55...(19) HG2 PRO 34 + HZ PHE 35 OK 59 59 100 100 4.1-5.7 ~4687=53, 4242/3.8=41...(26) HB2 LEU 57 + HZ PHE 35 OK 52 75 70 98 4.9-6.8 3.1/4591=63, ~4688=48...(16) HB2 PRO 34 + HZ PHE 35 OK 46 92 50 99 5.5-7.3 ~4687=46, ~5935=44...(22) HB ILE 33 + HZ PHE 35 OK 24 79 30 99 5.6-8.0 2.1/4596=68, ~4583=66...(16) HB3 LYS 39 - HZ PHE 35 far 14 94 15 - 6.0-9.9 HB2 ARG 54 - HZ PHE 35 far 11 73 15 - 6.0-10.6 HB2 LEU 57 - HZ PHE 48 far 0 85 0 - 7.5-9.8 HB2 ARG 69 - HZ PHE 35 far 0 79 0 - 7.7-10.3 HB3 LYS 39 - HZ PHE 48 far 0 100 0 - 8.1-11.6 HG2 PRO 34 - HZ PHE 48 far 0 68 0 - 8.3-12.9 HB3 LYS 73 - HZ PHE 48 far 0 99 0 - 8.4-11.8 HB2 LYS 32 - HZ PHE 35 far 0 87 0 - 8.4-11.5 HB ILE 33 - HZ PHE 48 far 0 89 0 - 9.4-12.4 HB3 LYS 32 - HZ PHE 35 far 0 87 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 4655 from anoeabs.peaks (0.89, 7.34, 134.10 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 51 + QD TYR 55 OK 100 100 100 100 2.1-3.6 2.1/4637=78, 2.1/4665=69...(22) QD1 LEU 62 - QD TYR 55 far 0 87 0 - 6.5-9.6 QD1 LEU 86 - QD TYR 55 far 0 100 0 - 9.7-32.9 Violated in 0 structures by 0.00 A. Peak 4657 from anoeabs.peaks (7.24, 6.65, 132.79 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: H ILE 40 + QD PHE 35 OK 99 100 100 100 4.0-5.3 5609=57, 607/4318=56...(14) HE ARG 54 - QD PHE 35 far 0 68 0 - 6.6-11.4 H ALA 53 - QD PHE 35 far 0 84 0 - 7.0-9.0 Violated in 5 structures by 0.08 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 2.0-3.8 4601/2.2=77, 4628=67...(24) Violated in 0 structures by 0.00 A. Peak 4659 from anoeabs.peaks (1.56, 6.65, 132.79 ppm; 4.71 A): 4 out of 8 assignments used, quality = 1.00: HG2 LYS 39 + QD PHE 35 OK 92 93 100 100 2.9-5.3 5939=72, 2.9/5940=47...(20) HD3 LYS 39 + QD PHE 35 OK 81 82 100 98 3.0-5.1 3.0/5939=56, 3.5/5940=44...(20) HD2 LYS 39 + QD PHE 35 OK 79 80 100 98 3.7-6.0 3.0/5939=56, 3.5/5940=44...(18) HB3 ARG 54 + QD PHE 35 OK 26 93 30 94 5.5-9.2 4644/5712=60...(6) HG3 ARG 54 - QD PHE 35 far 0 93 0 - 6.4-10.2 HG LEU 64 - QD PHE 35 far 0 78 0 - 7.2-9.0 HG LEU 62 - QD PHE 35 far 0 100 0 - 7.8-10.1 HB3 LEU 86 - QD PHE 35 far 0 100 0 - 8.8-35.9 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 12 assignments used, quality = 0.95: HG2 ARG 66 + HZ PHE 48 OK 77 97 85 94 2.0-6.4 1.8/4589=52, 4.1/4605=46...(9) HD2 ARG 69 + HZ PHE 48 OK 57 98 60 97 2.9-6.9 4789/2.2=29, 4790=29...(20) HD3 ARG 69 + HZ PHE 48 OK 52 98 55 97 3.4-7.0 3.0/4652=28, 4789/2.2=28...(21) HG2 ARG 66 - HZ PHE 35 far 0 88 0 - 6.1-9.9 HD3 ARG 69 - HZ PHE 35 far 0 90 0 - 7.0-12.1 HD2 ARG 69 - HZ PHE 35 far 0 90 0 - 7.4-12.0 HB3 GLN 79 - HZ PHE 48 far 0 65 0 - 7.5-23.6 HG2 PRO 56 - HZ PHE 35 far 0 81 0 - 7.9-11.6 HB2 GLU 50 - HZ PHE 35 far 0 75 0 - 8.5-11.9 HB3 GLU 50 - HZ PHE 35 far 0 75 0 - 8.7-11.9 HB VAL 76 - HZ PHE 48 far 0 76 0 - 9.0-18.0 HB3 PRO 56 - HZ PHE 35 far 0 89 0 - 9.2-11.3 Violated in 5 structures by 0.09 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 4.4-4.9 3.0/4634=77, 3.6/687=74...(23) HA GLU 50 - QD TYR 55 far 0 73 0 - 7.2-7.9 HA LYS 32 - QD TYR 55 far 0 97 0 - 9.0-10.5 HA GLN 61 - QD TYR 55 far 0 76 0 - 9.2-11.4 Violated in 17 structures by 0.11 A. Peak 4663 from anoeabs.peaks (1.31, 7.34, 134.10 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 54 + QD TYR 55 OK 100 100 100 100 1.8-5.6 3.0/4634=72, 4969/2.2=51...(29) HB2 LEU 51 + QD TYR 55 OK 94 94 100 100 4.4-5.7 3.0/4632=65, 3.1/4637=65...(20) HB2 LEU 52 - QD TYR 55 far 3 65 5 - 5.8-7.0 QG2 THR 58 - QD TYR 55 far 0 100 0 - 7.5-9.2 HG2 LYS 32 - QD TYR 55 far 0 71 0 - 8.9-12.1 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 3.0-5.5 2.3/4667=69, 5565/2.2=59...(19) QD1 ILE 40 - QE TYR 55 far 0 100 0 - 7.1-8.7 QD1 ILE 40 - QE TYR 81 far 0 65 0 - 9.7-19.7 Violated in 14 structures by 0.48 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 3.5-4.8 4648/2.2=85, 2.1/4637=83...(26) Violated in 4 structures by 0.02 A. Peak 4666 from anoeabs.peaks (1.86, 7.34, 134.10 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.92: HB3 PRO 34 + QD TYR 55 OK 92 92 100 100 2.1-4.4 2.3/4246=66, 2.3/5565=61...(25) HB2 LYS 39 - QD TYR 55 far 0 100 0 - 6.6-10.3 HB3 PRO 14 - QD TYR 55 far 0 63 0 - 9.2-24.3 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 11 assignments used, quality = 1.00: HB3 PRO 34 + QE TYR 55 OK 100 100 100 100 2.4-5.2 2.3/4664=73, 4666/2.2=56...(17) HB2 LYS 39 - QE TYR 55 far 8 80 10 - 5.5-9.4 HB2 ARG 23 - QE TYR 81 far 0 32 0 - 6.1-25.5 HB3 ARG 23 - QE TYR 81 far 0 34 0 - 6.7-26.1 HB2 ARG 66 - QE TYR 81 far 0 65 0 - 7.4-23.5 HG12 ILE 40 - QE TYR 55 far 0 59 0 - 7.6-9.5 HB2 LYS 39 - QE TYR 81 far 0 46 0 - 7.6-25.2 HB2 ARG 26 - QE TYR 81 far 0 65 0 - 8.5-30.6 HB3 PRO 14 - QE TYR 55 far 0 96 0 - 9.1-25.0 HG12 ILE 40 - QE TYR 81 far 0 32 0 - 9.6-23.9 HB3 ARG 26 - QE TYR 81 far 0 64 0 - 9.9-30.0 Violated in 8 structures by 0.12 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 - 6.8-21.7 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 3 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 - 6.6-8.3 QD PHE 48 - QE TYR 81 far 0 100 0 - 6.8-21.7 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 3 assignments used, quality = 0.97: H ARG 82 + QD TYR 81 OK 84 85 100 99 2.0-4.3 4.3=89, 3.6/4674=69...(8) H TYR 81 + QD TYR 81 OK 79 81 100 98 1.9-4.2 4.5=81, 3.0/4674=79...(6) H LYS 73 - QD TYR 81 far 0 60 0 - 8.0-16.2 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 3 assignments used, quality = 0.79: HA TYR 81 + QD TYR 81 OK 79 97 100 81 2.3-3.6 5466=63, 5474/4.3=25...(6) HA SER 22 - QD TYR 81 far 0 100 0 - 5.9-26.9 HA ASP 67 - QD TYR 81 far 0 65 0 - 8.5-22.6 Violated in 10 structures by 0.21 A. Peak 4675 from anoeabs.peaks (4.19, 7.08, 132.95 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.97: HA ARG 82 + QD TYR 81 OK 77 97 85 94 3.0-5.9 3.0/4683=46...(14) HA ALA 78 + QD TYR 81 OK 74 85 90 96 2.0-8.1 2.1/4685=51, 5862/2.5=43...(9) HA GLN 79 + QD TYR 81 OK 45 97 60 77 2.5-7.8 5.0/4685=27, ~4681=25...(8) HA LYS 73 - QD TYR 81 far 0 98 0 - 6.3-16.8 HA ARG 84 - QD TYR 81 far 0 100 0 - 7.4-11.0 Violated in 1 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 2.3-2.8 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 7 assignments used, quality = 0.92: HB3 TYR 81 + QD TYR 81 OK 92 92 100 100 2.3-2.8 2.5=100 HE2 LYS 73 - QD TYR 81 far 5 97 5 - 3.4-17.7 HE3 LYS 73 - QD TYR 81 far 0 96 0 - 4.6-16.9 HE2 LYS 39 - QD TYR 81 far 0 94 0 - 8.2-26.3 HE3 LYS 39 - QD TYR 81 far 0 92 0 - 8.4-26.5 HE2 LYS 75 - QD TYR 81 far 0 100 0 - 8.5-17.6 HE3 LYS 75 - QD TYR 81 far 0 100 0 - 9.8-16.9 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 6 assignments used, quality = 0.78: HA ARG 82 + QE TYR 81 OK 45 100 55 82 4.2-8.0 ~4683=38, 4675/2.2=33...(7) HA GLN 79 + QE TYR 81 OK 41 89 55 85 2.5-9.9 3.0/4681=54, 5.0/4686=40...(6) HA ALA 78 + QE TYR 81 OK 33 68 50 96 3.7-7.5 2.1/4686=69, ~4685=43...(8) HA ARG 84 - QE TYR 81 far 0 100 0 - 6.1-13.0 HA LYS 73 - QE TYR 81 far 0 100 0 - 6.4-18.9 HA ALA 53 - QE TYR 55 far 0 52 0 - 7.7-8.7 Violated in 6 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 = 0.89: HB2 TYR 81 + QE TYR 81 OK 73 81 100 91 4.4-4.5 4.4=71, ~4674=38...(6) HD3 ARG 54 + QE TYR 55 OK 38 52 75 98 2.2-5.8 3.0/4969=35, 3.6/4970=33...(15) HD2 ARG 54 + QE TYR 55 OK 36 53 70 98 2.1-6.0 3.0/4969=35, 3.6/4970=33...(15) Violated in 0 structures by 0.00 A. Peak 4681 from anoeabs.peaks (2.01, 6.79, 118.00 ppm; 4.88 A): 1 out of 11 assignments used, quality = 0.44: HB3 GLN 79 + QE TYR 81 OK 44 94 90 52 3.0-10.3 3.0/4678=26, ~5868=24...(4) HG2 PRO 56 - QE TYR 55 poor 6 30 20 - 5.4-8.3 HG LEU 43 - QE TYR 81 far 4 85 5 - 3.7-24.0 HD2 ARG 69 - QE TYR 81 far 4 76 5 - 5.2-21.1 HD3 ARG 69 - QE TYR 81 far 4 76 5 - 5.5-21.2 HB3 PRO 56 - QE TYR 55 far 0 40 0 - 7.3-9.4 HG LEU 43 - QE TYR 55 far 0 49 0 - 7.6-9.7 HG2 PRO 14 - QE TYR 55 far 0 42 0 - 9.2-25.5 HG3 PRO 14 - QE TYR 55 far 0 42 0 - 9.3-25.0 HG2 ARG 66 - QE TYR 81 far 0 100 0 - 9.4-24.7 QE MET 31 - QE TYR 55 far 0 50 0 - 9.9-13.1 Violated in 13 structures by 0.50 A. Peak 4683 from anoeabs.peaks (1.76, 7.08, 132.95 ppm; 4.51 A): 1 out of 7 assignments used, quality = 0.97: HB3 ARG 82 + QD TYR 81 OK 97 100 100 97 3.0-4.6 5479/4684=68...(10) HB2 LYS 83 - QD TYR 81 far 9 89 10 - 5.2-8.8 HB3 LYS 73 - QD TYR 81 far 0 94 0 - 6.5-15.1 HG3 ARG 71 - QD TYR 81 far 0 94 0 - 7.1-21.9 HB3 LYS 75 - QD TYR 81 far 0 76 0 - 8.2-14.9 HB3 LYS 39 - QD TYR 81 far 0 87 0 - 9.0-24.9 HG3 ARG 26 - QD TYR 81 far 0 90 0 - 9.8-28.8 Violated in 8 structures by 0.03 A. Peak 4684 from anoeabs.peaks (1.53, 7.08, 132.95 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.93: HG2 ARG 82 + QD TYR 81 OK 93 100 100 93 2.0-4.4 5479/4683=62...(9) HG2 LYS 39 - QD TYR 81 far 0 92 0 - 9.3-24.6 HG3 ARG 23 - QD TYR 81 far 0 99 0 - 9.8-28.8 Violated in 5 structures by 0.01 A. Peak 4685 from anoeabs.peaks (1.37, 7.08, 132.95 ppm; 4.29 A): 1 out of 10 assignments used, quality = 0.85: QB ALA 78 + QD TYR 81 OK 85 90 95 99 2.1-7.0 4686/2.2=65, 2.1/6048=56...(11) HG2 LYS 83 - QD TYR 81 poor 20 100 20 - 4.4-9.7 QB ALA 77 - QD TYR 81 poor 12 100 30 40 4.1-8.1 4.9/6048=34, 5446/5868=5 HG3 LYS 73 - QD TYR 81 far 5 90 5 - 5.3-16.3 HG3 ARG 69 - QD TYR 81 far 0 100 0 - 7.2-19.3 HG2 LYS 75 - QD TYR 81 far 0 87 0 - 7.7-15.4 QB ALA 20 - QD TYR 81 far 0 99 0 - 7.9-26.2 HB3 ARG 69 - QD TYR 81 far 0 76 0 - 8.3-19.9 HG3 LYS 75 - QD TYR 81 far 0 87 0 - 9.3-15.4 HG2 LYS 85 - QD TYR 81 far 0 99 0 - 9.9-15.3 Violated in 11 structures by 0.39 A. Peak 4686 from anoeabs.peaks (1.38, 6.79, 118.00 ppm; 4.57 A): 1 out of 14 assignments used, quality = 0.75: QB ALA 78 + QE TYR 81 OK 75 97 85 91 4.1-7.0 4685/2.2=68, ~6048=44...(5) QB ALA 77 - QE TYR 81 far 15 100 15 - 2.8-9.9 HG2 LYS 83 - QE TYR 81 far 10 98 10 - 4.2-11.5 HG3 LYS 73 - QE TYR 81 far 5 97 5 - 5.9-18.4 HG3 LYS 39 - QE TYR 81 far 3 65 5 - 6.0-25.3 HG3 LYS 39 - QE TYR 55 far 2 35 5 - 5.8-8.1 QB ALA 16 - QE TYR 55 far 0 50 0 - 6.4-21.8 QB ALA 53 - QE TYR 55 far 0 54 0 - 6.8-7.8 QB ALA 20 - QE TYR 81 far 0 100 0 - 7.0-27.1 HG3 ARG 69 - QE TYR 81 far 0 100 0 - 7.0-19.9 HG2 LYS 75 - QE TYR 81 far 0 96 0 - 7.3-17.0 HB3 ARG 69 - QE TYR 81 far 0 89 0 - 7.3-20.2 HG3 LYS 75 - QE TYR 81 far 0 96 0 - 8.1-16.6 HG2 LYS 85 - QE TYR 81 far 0 100 0 - 9.0-17.2 Violated in 17 structures by 0.73 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 2.5-4.3 4649/2.2=79, 4.1/4583=63...(28) HB3 ASN 42 - QE PHE 35 far 0 97 0 - 8.3-9.8 HB2 ASN 42 - QE PHE 35 far 0 99 0 - 9.7-11.2 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 2.4-5.4 ~4591=49, 2.1/4577=47...(20) HG13 ILE 68 - QE PHE 35 far 12 83 15 - 5.3-8.7 HB2 LEU 64 - QE PHE 35 far 0 63 0 - 6.7-8.9 HB2 MET 31 - QE PHE 35 far 0 99 0 - 7.0-9.0 HB3 ARG 66 - QE PHE 35 far 0 100 0 - 7.6-9.5 HB VAL 41 - QE PHE 35 far 0 93 0 - 8.9-10.1 Violated in 8 structures by 0.16 A. Peak 4689 from anoeabs.peaks (2.38, 6.95, 128.89 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: HB VAL 65 + HZ PHE 48 OK 98 99 100 99 2.8-6.1 ~4718=68, ~4716=51...(16) HB VAL 65 + HZ PHE 35 OK 89 91 100 98 3.9-5.4 4707/4591=45, ~4576=34...(13) Violated in 0 structures by 0.00 A. Peak 4690 from anoeabs.peaks (1.74, 6.79, 118.00 ppm; 4.14 A): 3 out of 13 assignments used, quality = 0.74: HB2 ARG 54 + QE TYR 55 OK 40 42 95 100 2.8-5.8 ~4634=54, 1.8/4970=46...(22) HG2 PRO 34 + QE TYR 55 OK 38 52 75 99 4.1-6.0 4246/2.2=52, ~4666=40...(19) HB3 ARG 82 + QE TYR 81 OK 28 76 45 83 2.8-6.8 4683/2.2=37, ~4684=35...(7) HB2 ARG 84 - QE TYR 81 far 5 90 5 - 3.8-14.4 HB2 LEU 43 - QE TYR 81 far 4 87 5 - 4.9-23.4 HB3 LYS 83 - QE TYR 81 far 0 71 0 - 5.6-11.5 HB2 LEU 57 - QE TYR 55 far 0 40 0 - 7.3-9.9 HB3 LYS 85 - QE TYR 81 far 0 83 0 - 7.3-15.4 HB ILE 33 - QE TYR 55 far 0 37 0 - 7.5-9.6 HG3 ARG 26 - QE TYR 81 far 0 99 0 - 7.8-28.2 HB2 LEU 43 - QE TYR 55 far 0 50 0 - 8.0-9.7 HG3 ARG 71 - QE TYR 81 far 0 98 0 - 8.5-20.6 HB3 ARG 17 - QE TYR 55 far 0 65 0 - 9.8-26.8 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.973 Average number of used assignments : 2.178 Average rank of reference assignment: 1.160 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.32 A Atom Residue Shift Peaks Used Expect HE ARG 54 7.264 21 3 11 Peaks: selected : 5180 in nnoeabs.peaks : 1097 in cnoeabs.peaks : 3933 in anoeabs.peaks : 150 assigned : 5139 unassigned : 41 without assignment possibility : 23 with violation below 0.5 A : 0 with violation between 0.5 and 3.0 A : 14 with violation above 3.0 A : 4 in nnoeabs.peaks : 5 in cnoeabs.peaks : 35 in anoeabs.peaks : 1 with diagonal assignment : 612 Cross peaks: with off-diagonal assignment : 4527 with unique assignment : 2141 with short-range assignment |i-j|<=1: 3449 with medium-range assignment 1<|i-j|<5 : 720 with long-range assignment |i-j|>=5: 358 Comparison with reference assignment: Cross peaks with reference assignment : 2952 with identical reference assignment : 1278 with compatible reference assignment : 2828 with incompatible reference assignment : 1 with additional reference assignment : 0 with additional assignment : 1698