NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
573686 | 2m59 | 19041 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m59 save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 530 _Distance_constraint_stats_list.Viol_count 1211 _Distance_constraint_stats_list.Viol_total 1321.905 _Distance_constraint_stats_list.Viol_max 1.563 _Distance_constraint_stats_list.Viol_rms 0.0892 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0249 _Distance_constraint_stats_list.Viol_average_violations_only 0.1092 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLU 0.000 0.000 . 0 "[ . 1]" 1 2 LYS 0.051 0.016 7 0 "[ . 1]" 1 3 THR 13.858 0.617 4 10 [-**+******] 1 4 ASN 11.218 0.592 9 10 [-*******+*] 1 5 LEU 7.521 0.403 10 0 "[ . 1]" 1 6 GLU 1.909 0.143 1 0 "[ . 1]" 1 7 ILE 5.047 0.136 4 0 "[ . 1]" 1 8 ILE 1.879 0.089 1 0 "[ . 1]" 1 9 ILE 2.856 0.154 8 0 "[ . 1]" 1 10 LEU 5.815 0.204 7 0 "[ . 1]" 1 11 VAL 1.910 0.109 2 0 "[ . 1]" 1 12 GLY 0.677 0.072 8 0 "[ . 1]" 1 13 THR 3.145 0.173 10 0 "[ . 1]" 1 14 ALA 1.692 0.109 2 0 "[ . 1]" 1 15 VAL 0.504 0.067 9 0 "[ . 1]" 1 16 ILE 2.193 0.167 1 0 "[ . 1]" 1 17 ALA 0.048 0.009 4 0 "[ . 1]" 1 18 MET 0.504 0.067 9 0 "[ . 1]" 1 19 PHE 1.690 0.147 8 0 "[ . 1]" 1 20 PHE 10.199 1.558 8 9 "[* **-**+**]" 1 21 TRP 1.213 0.110 8 0 "[ . 1]" 1 22 LEU 1.494 0.147 8 0 "[ . 1]" 1 23 LEU 11.354 1.563 8 9 "[- *****+**]" 1 24 LEU 3.240 0.152 6 0 "[ . 1]" 1 25 VAL 2.044 0.098 10 0 "[ . 1]" 1 26 ILE 3.012 0.151 5 0 "[ . 1]" 1 27 ILE 2.477 0.153 7 0 "[ . 1]" 1 28 LEU 3.166 0.152 6 0 "[ . 1]" 1 29 ARG 2.947 0.151 5 0 "[ . 1]" 1 30 THR 4.566 0.238 7 0 "[ . 1]" 1 31 VAL 4.775 0.238 7 0 "[ . 1]" 1 32 LYS 1.905 0.092 4 0 "[ . 1]" 1 33 ARG 2.064 0.153 7 0 "[ . 1]" 1 34 ALA 0.369 0.042 7 0 "[ . 1]" 1 35 ASN 0.068 0.013 1 0 "[ . 1]" 1 36 GLY 0.002 0.002 8 0 "[ . 1]" 1 37 GLY 0.000 0.000 . 0 "[ . 1]" 2 1 GLU 0.000 0.000 . 0 "[ . 1]" 2 2 LYS 0.045 0.016 7 0 "[ . 1]" 2 3 THR 13.854 0.617 6 10 [*****+****] 2 4 ASN 11.213 0.593 10 10 [*****-***+] 2 5 LEU 7.548 0.404 2 0 "[ . 1]" 2 6 GLU 1.900 0.136 4 0 "[ . 1]" 2 7 ILE 5.045 0.143 1 0 "[ . 1]" 2 8 ILE 1.879 0.088 7 0 "[ . 1]" 2 9 ILE 2.866 0.154 2 0 "[ . 1]" 2 10 LEU 5.835 0.210 1 0 "[ . 1]" 2 11 VAL 1.921 0.111 2 0 "[ . 1]" 2 12 GLY 0.686 0.075 8 0 "[ . 1]" 2 13 THR 3.126 0.173 9 0 "[ . 1]" 2 14 ALA 1.703 0.111 2 0 "[ . 1]" 2 15 VAL 0.523 0.066 9 0 "[ . 1]" 2 16 ILE 2.148 0.165 1 0 "[ . 1]" 2 17 ALA 0.059 0.009 2 0 "[ . 1]" 2 18 MET 0.523 0.066 9 0 "[ . 1]" 2 19 PHE 1.681 0.143 8 0 "[ . 1]" 2 20 PHE 10.207 1.563 8 9 "[- *****+**]" 2 21 TRP 1.196 0.111 8 0 "[ . 1]" 2 22 LEU 1.522 0.143 8 0 "[ . 1]" 2 23 LEU 11.304 1.558 8 9 "[* **-**+**]" 2 24 LEU 3.238 0.153 7 0 "[ . 1]" 2 25 VAL 2.033 0.099 10 0 "[ . 1]" 2 26 ILE 2.989 0.151 5 0 "[ . 1]" 2 27 ILE 2.450 0.149 7 0 "[ . 1]" 2 28 LEU 3.144 0.151 7 0 "[ . 1]" 2 29 ARG 2.950 0.151 5 0 "[ . 1]" 2 30 THR 4.547 0.239 3 0 "[ . 1]" 2 31 VAL 4.802 0.239 3 0 "[ . 1]" 2 32 LYS 1.948 0.092 4 0 "[ . 1]" 2 33 ARG 2.043 0.154 7 0 "[ . 1]" 2 34 ALA 0.375 0.040 7 0 "[ . 1]" 2 35 ASN 0.072 0.014 1 0 "[ . 1]" 2 36 GLY 0.000 0.000 . 0 "[ . 1]" 2 37 GLY 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 GLU H1 1 1 GLU HA . . 3.400 2.814 2.663 2.943 . 0 0 "[ . 1]" 1 2 1 1 GLU H1 1 1 GLU HB2 . . 3.300 2.410 2.125 2.649 . 0 0 "[ . 1]" 1 3 1 1 GLU H1 1 1 GLU QG . . 3.520 2.620 2.154 3.502 . 0 0 "[ . 1]" 1 4 1 1 GLU HA 1 2 LYS H . . 2.940 2.592 2.204 2.926 . 0 0 "[ . 1]" 1 5 1 2 LYS H 1 2 LYS QB . . 3.060 2.434 2.111 3.066 0.006 5 0 "[ . 1]" 1 6 1 2 LYS H 1 2 LYS QG . . 3.780 2.984 1.930 3.755 . 0 0 "[ . 1]" 1 7 1 2 LYS H 1 3 THR H . . 3.660 2.445 1.934 2.868 . 0 0 "[ . 1]" 1 8 1 2 LYS HA 1 3 THR H . . 3.560 3.540 3.511 3.569 0.009 1 0 "[ . 1]" 1 9 1 2 LYS QB 1 3 THR H . . 3.360 2.736 2.108 3.376 0.016 7 0 "[ . 1]" 1 10 1 3 THR H 1 3 THR HB . . 3.000 3.616 3.615 3.617 0.617 4 10 [***+***-**] 1 11 1 3 THR H 1 3 THR MG . . 2.850 2.236 2.207 2.260 . 0 0 "[ . 1]" 1 12 1 3 THR HA 1 3 THR MG . . 2.480 2.251 2.230 2.266 . 0 0 "[ . 1]" 1 13 1 3 THR HA 1 4 ASN H . . 2.980 3.572 3.571 3.572 0.592 9 10 [-*******+*] 1 14 1 3 THR HA 1 5 LEU H . . 4.100 4.158 4.149 4.164 0.064 4 0 "[ . 1]" 1 15 1 3 THR HA 1 6 GLU H . . 3.710 3.286 3.274 3.294 . 0 0 "[ . 1]" 1 16 1 3 THR HA 1 6 GLU QB . . 3.730 2.607 2.597 2.616 . 0 0 "[ . 1]" 1 17 1 3 THR HA 1 7 ILE H . . 4.070 4.170 4.166 4.172 0.102 2 0 "[ . 1]" 1 18 1 3 THR HB 1 3 THR MG . . 2.490 2.129 2.125 2.131 . 0 0 "[ . 1]" 1 19 1 3 THR HB 1 7 ILE MD . . 3.600 2.709 2.691 2.722 . 0 0 "[ . 1]" 1 20 1 3 THR MG 1 4 ASN H . . 3.780 3.796 3.791 3.805 0.025 1 0 "[ . 1]" 1 21 1 4 ASN H 1 4 ASN HB2 . . 3.440 2.458 2.291 2.713 . 0 0 "[ . 1]" 1 22 1 4 ASN H 1 4 ASN HB3 . . 3.680 3.587 3.554 3.601 . 0 0 "[ . 1]" 1 23 1 4 ASN HA 1 5 LEU H . . 3.120 3.523 3.522 3.523 0.403 10 0 "[ . 1]" 1 24 1 4 ASN HA 1 7 ILE H . . 3.760 3.871 3.866 3.875 0.115 4 0 "[ . 1]" 1 25 1 4 ASN HA 1 7 ILE HB . . 3.720 3.294 3.275 3.316 . 0 0 "[ . 1]" 1 26 1 4 ASN HA 1 7 ILE MD . . 3.000 2.488 2.470 2.511 . 0 0 "[ . 1]" 1 27 1 4 ASN HB2 1 5 LEU H . . 3.410 2.765 2.680 2.873 . 0 0 "[ . 1]" 1 28 1 5 LEU H 1 5 LEU QB . . 2.640 2.040 2.039 2.041 . 0 0 "[ . 1]" 1 29 1 5 LEU H 1 5 LEU HG . . 3.530 3.575 3.567 3.583 0.053 5 0 "[ . 1]" 1 30 1 5 LEU H 1 6 GLU H . . 3.050 2.599 2.586 2.607 . 0 0 "[ . 1]" 1 31 1 5 LEU HA 1 5 LEU MD1 . . 3.810 3.777 3.776 3.778 . 0 0 "[ . 1]" 1 32 1 5 LEU HA 1 5 LEU MD2 . . 2.750 1.945 1.941 1.949 . 0 0 "[ . 1]" 1 33 1 5 LEU HA 1 6 GLU H . . 3.520 3.552 3.549 3.553 0.033 5 0 "[ . 1]" 1 34 1 5 LEU HA 1 8 ILE H . . 3.430 3.465 3.458 3.476 0.046 1 0 "[ . 1]" 1 35 1 5 LEU HA 1 8 ILE HB . . 3.210 2.533 2.515 2.547 . 0 0 "[ . 1]" 1 36 1 5 LEU HA 1 8 ILE MD . . 2.910 2.170 2.094 2.308 . 0 0 "[ . 1]" 1 37 1 5 LEU HA 1 9 ILE H . . 3.690 3.786 3.762 3.800 0.110 10 0 "[ . 1]" 1 38 1 5 LEU QB 1 6 GLU H . . 2.950 2.594 2.584 2.612 . 0 0 "[ . 1]" 1 39 1 5 LEU MD2 1 8 ILE HB . . 2.690 2.774 2.771 2.779 0.089 1 0 "[ . 1]" 1 40 1 6 GLU H 1 6 GLU QB . . 2.880 2.442 2.437 2.449 . 0 0 "[ . 1]" 1 41 1 6 GLU H 1 6 GLU HG2 . . 3.200 2.335 2.331 2.338 . 0 0 "[ . 1]" 1 42 1 6 GLU H 1 6 GLU HG3 . . 4.280 3.788 3.786 3.790 . 0 0 "[ . 1]" 1 43 1 6 GLU H 1 7 ILE H . . 3.140 2.880 2.874 2.885 . 0 0 "[ . 1]" 1 44 1 6 GLU HA 1 6 GLU HG2 . . 3.890 3.224 3.208 3.246 . 0 0 "[ . 1]" 1 45 1 6 GLU HA 1 9 ILE H . . 4.210 3.888 3.867 3.922 . 0 0 "[ . 1]" 1 46 1 6 GLU HA 1 9 ILE HG13 . . 3.920 3.930 3.822 3.976 0.056 7 0 "[ . 1]" 1 47 1 6 GLU QB 1 7 ILE H . . 3.240 2.435 2.428 2.439 . 0 0 "[ . 1]" 1 48 1 6 GLU QB 2 10 LEU QD . . 4.000 3.819 3.811 3.828 . 0 0 "[ . 1]" 1 49 1 6 GLU HG3 2 7 ILE MD . . 3.500 3.623 3.610 3.643 0.143 1 0 "[ . 1]" 1 50 1 7 ILE H 1 7 ILE HA . . 3.040 2.821 2.820 2.823 . 0 0 "[ . 1]" 1 51 1 7 ILE H 1 7 ILE HB . . 2.710 2.429 2.428 2.431 . 0 0 "[ . 1]" 1 52 1 7 ILE H 1 7 ILE MD . . 2.970 2.184 2.176 2.192 . 0 0 "[ . 1]" 1 53 1 7 ILE H 1 7 ILE HG12 . . 3.930 3.953 3.951 3.955 0.025 6 0 "[ . 1]" 1 54 1 7 ILE H 1 7 ILE HG13 . . 2.960 3.039 3.035 3.044 0.084 1 0 "[ . 1]" 1 55 1 7 ILE HA 1 7 ILE HG12 . . 3.510 3.413 3.409 3.418 . 0 0 "[ . 1]" 1 56 1 7 ILE HA 1 7 ILE HG13 . . 3.450 2.234 2.232 2.238 . 0 0 "[ . 1]" 1 57 1 7 ILE HA 1 8 ILE H . . 3.490 3.559 3.558 3.560 0.070 5 0 "[ . 1]" 1 58 1 7 ILE HA 1 10 LEU HB2 . . 3.590 2.732 2.712 2.763 . 0 0 "[ . 1]" 1 59 1 7 ILE HA 1 10 LEU HB3 . . 4.770 4.257 4.229 4.291 . 0 0 "[ . 1]" 1 60 1 7 ILE MD 2 6 GLU HG3 . . 3.500 3.623 3.608 3.636 0.136 4 0 "[ . 1]" 1 61 1 8 ILE H 1 8 ILE HB . . 2.660 2.496 2.491 2.500 . 0 0 "[ . 1]" 1 62 1 8 ILE H 1 8 ILE HG12 . . 3.740 3.646 3.641 3.655 . 0 0 "[ . 1]" 1 63 1 8 ILE H 1 8 ILE HG13 . . 2.880 2.188 2.179 2.199 . 0 0 "[ . 1]" 1 64 1 8 ILE H 1 9 ILE H . . 3.120 2.871 2.857 2.891 . 0 0 "[ . 1]" 1 65 1 9 ILE H 1 9 ILE HA . . 3.080 2.774 2.770 2.779 . 0 0 "[ . 1]" 1 66 1 9 ILE H 1 9 ILE HB . . 2.820 2.540 2.495 2.562 . 0 0 "[ . 1]" 1 67 1 9 ILE HA 1 10 LEU H . . 3.410 3.563 3.562 3.564 0.154 8 0 "[ . 1]" 1 68 1 10 LEU H 1 10 LEU HB2 . . 2.750 2.224 2.222 2.227 . 0 0 "[ . 1]" 1 69 1 10 LEU H 1 10 LEU HB3 . . 3.890 3.519 3.518 3.521 . 0 0 "[ . 1]" 1 70 1 10 LEU H 1 10 LEU QD . . 3.450 1.980 1.973 1.986 . 0 0 "[ . 1]" 1 71 1 10 LEU H 1 10 LEU HG . . 3.460 3.661 3.655 3.664 0.204 7 0 "[ . 1]" 1 72 1 10 LEU H 1 11 VAL H . . 3.120 2.917 2.912 2.928 . 0 0 "[ . 1]" 1 73 1 10 LEU HA 1 10 LEU QD . . 2.830 1.983 1.978 1.985 . 0 0 "[ . 1]" 1 74 1 10 LEU HA 1 11 VAL H . . 3.590 3.558 3.557 3.559 . 0 0 "[ . 1]" 1 75 1 10 LEU HA 1 13 THR H . . 3.450 3.508 3.499 3.518 0.068 2 0 "[ . 1]" 1 76 1 10 LEU HA 1 13 THR HB . . 3.790 3.959 3.944 3.963 0.173 10 0 "[ . 1]" 1 77 1 10 LEU HB2 1 11 VAL H . . 3.180 2.658 2.650 2.666 . 0 0 "[ . 1]" 1 78 1 10 LEU HB3 1 11 VAL H . . 3.300 3.087 3.066 3.095 . 0 0 "[ . 1]" 1 79 1 10 LEU QD 2 6 GLU QB . . 4.000 3.823 3.814 3.836 . 0 0 "[ . 1]" 1 80 1 10 LEU QD 2 13 THR MG . . 3.000 2.975 2.963 2.984 . 0 0 "[ . 1]" 1 81 1 11 VAL H 1 11 VAL HA . . 3.070 2.780 2.776 2.782 . 0 0 "[ . 1]" 1 82 1 11 VAL H 1 11 VAL HB . . 2.890 2.482 2.479 2.488 . 0 0 "[ . 1]" 1 83 1 11 VAL H 1 11 VAL MG1 . . 3.950 3.756 3.756 3.758 . 0 0 "[ . 1]" 1 84 1 11 VAL H 1 11 VAL MG2 . . 2.680 2.300 2.188 2.386 . 0 0 "[ . 1]" 1 85 1 11 VAL H 1 12 GLY H . . 3.050 2.839 2.832 2.849 . 0 0 "[ . 1]" 1 86 1 11 VAL HA 1 14 ALA H . . 3.530 3.628 3.618 3.639 0.109 2 0 "[ . 1]" 1 87 1 11 VAL HA 1 14 ALA MB . . 3.730 2.754 2.749 2.759 . 0 0 "[ . 1]" 1 88 1 11 VAL HB 1 12 GLY H . . 2.970 2.467 2.454 2.476 . 0 0 "[ . 1]" 1 89 1 11 VAL MG1 1 12 GLY H . . 3.060 3.128 3.118 3.132 0.072 8 0 "[ . 1]" 1 90 1 11 VAL MG1 1 14 ALA MB . . 3.810 3.835 3.831 3.839 0.029 1 0 "[ . 1]" 1 91 1 12 GLY H 1 12 GLY QA . . 2.510 2.202 2.201 2.203 . 0 0 "[ . 1]" 1 92 1 12 GLY H 1 13 THR H . . 3.140 2.661 2.654 2.673 . 0 0 "[ . 1]" 1 93 1 12 GLY QA 1 13 THR H . . 3.060 2.737 2.726 2.743 . 0 0 "[ . 1]" 1 94 1 12 GLY QA 1 15 VAL MG2 . . 3.620 3.125 3.033 3.245 . 0 0 "[ . 1]" 1 95 1 13 THR H 1 13 THR HB . . 3.800 3.503 3.496 3.505 . 0 0 "[ . 1]" 1 96 1 13 THR H 1 13 THR HG1 . . 3.160 2.258 2.097 2.356 . 0 0 "[ . 1]" 1 97 1 13 THR H 1 13 THR MG . . 3.050 2.945 2.937 2.969 . 0 0 "[ . 1]" 1 98 1 13 THR H 1 14 ALA H . . 3.060 2.555 2.545 2.571 . 0 0 "[ . 1]" 1 99 1 13 THR HA 1 13 THR MG . . 3.210 2.134 2.130 2.137 . 0 0 "[ . 1]" 1 100 1 13 THR HA 1 16 ILE MG . . 4.000 4.043 4.025 4.062 0.062 2 0 "[ . 1]" 1 101 1 13 THR HB 1 14 ALA H . . 3.330 3.375 3.368 3.380 0.050 2 0 "[ . 1]" 1 102 1 13 THR MG 2 10 LEU QD . . 3.000 2.976 2.960 2.986 . 0 0 "[ . 1]" 1 103 1 14 ALA H 1 14 ALA MB . . 2.720 2.220 2.219 2.221 . 0 0 "[ . 1]" 1 104 1 14 ALA H 1 15 VAL H . . 3.060 2.711 2.702 2.721 . 0 0 "[ . 1]" 1 105 1 14 ALA HA 1 15 VAL H . . 3.620 3.556 3.553 3.560 . 0 0 "[ . 1]" 1 106 1 14 ALA HA 1 17 ALA H . . 3.700 3.664 3.641 3.708 0.008 9 0 "[ . 1]" 1 107 1 14 ALA HA 1 17 ALA MB . . 3.790 2.806 2.655 2.886 . 0 0 "[ . 1]" 1 108 1 14 ALA MB 1 15 VAL H . . 3.180 2.448 2.419 2.472 . 0 0 "[ . 1]" 1 109 1 15 VAL H 1 15 VAL HA . . 3.100 2.808 2.804 2.811 . 0 0 "[ . 1]" 1 110 1 15 VAL H 1 15 VAL HB . . 2.930 2.551 2.543 2.556 . 0 0 "[ . 1]" 1 111 1 15 VAL H 1 15 VAL MG1 . . 3.950 3.764 3.763 3.765 . 0 0 "[ . 1]" 1 112 1 15 VAL H 1 15 VAL MG2 . . 2.830 2.172 2.005 2.288 . 0 0 "[ . 1]" 1 113 1 15 VAL HA 1 15 VAL MG1 . . 2.790 2.378 2.325 2.397 . 0 0 "[ . 1]" 1 114 1 15 VAL HA 1 15 VAL MG2 . . 2.690 2.370 2.293 2.433 . 0 0 "[ . 1]" 1 115 1 15 VAL HA 1 18 MET H . . 3.460 3.510 3.491 3.527 0.067 9 0 "[ . 1]" 1 116 1 15 VAL HB 1 16 ILE H . . 3.080 2.434 2.389 2.468 . 0 0 "[ . 1]" 1 117 1 15 VAL MG1 1 19 PHE QB . . 3.690 3.622 3.536 3.686 . 0 0 "[ . 1]" 1 118 1 15 VAL MG1 1 19 PHE QD . . 3.460 3.164 2.890 3.416 . 0 0 "[ . 1]" 1 119 1 16 ILE H 1 16 ILE HA . . 3.010 2.788 2.779 2.795 . 0 0 "[ . 1]" 1 120 1 16 ILE H 1 16 ILE HB . . 2.860 2.442 2.434 2.451 . 0 0 "[ . 1]" 1 121 1 16 ILE H 1 16 ILE HG12 . . 2.970 2.283 2.265 2.300 . 0 0 "[ . 1]" 1 122 1 16 ILE H 1 17 ALA H . . 3.070 2.744 2.724 2.779 . 0 0 "[ . 1]" 1 123 1 16 ILE HA 1 16 ILE MD . . 3.760 1.979 1.960 2.005 . 0 0 "[ . 1]" 1 124 1 16 ILE HA 1 16 ILE HG12 . . 3.820 2.917 2.906 2.927 . 0 0 "[ . 1]" 1 125 1 16 ILE HA 1 16 ILE HG13 . . 3.500 3.664 3.661 3.667 0.167 1 0 "[ . 1]" 1 126 1 16 ILE HA 1 17 ALA H . . 3.790 3.536 3.528 3.542 . 0 0 "[ . 1]" 1 127 1 16 ILE HA 1 19 PHE H . . 3.510 3.507 3.463 3.542 0.032 2 0 "[ . 1]" 1 128 1 16 ILE HA 1 19 PHE QB . . 3.840 2.752 2.667 2.835 . 0 0 "[ . 1]" 1 129 1 16 ILE MG 1 17 ALA H . . 3.350 3.318 3.270 3.359 0.009 4 0 "[ . 1]" 1 130 1 16 ILE MG 1 20 PHE QD . . 3.580 2.526 2.421 2.653 . 0 0 "[ . 1]" 1 131 1 16 ILE MG 2 17 ALA MB . . 3.500 3.500 3.489 3.509 0.009 2 0 "[ . 1]" 1 132 1 17 ALA H 1 17 ALA MB . . 2.790 2.118 2.028 2.231 . 0 0 "[ . 1]" 1 133 1 17 ALA HA 1 20 PHE HB2 . . 4.180 2.946 2.859 3.044 . 0 0 "[ . 1]" 1 134 1 17 ALA MB 1 18 MET H . . 3.120 2.579 2.485 2.664 . 0 0 "[ . 1]" 1 135 1 17 ALA MB 2 16 ILE MG . . 3.500 3.499 3.484 3.508 0.008 10 0 "[ . 1]" 1 136 1 18 MET H 1 18 MET HB3 . . 4.200 2.916 2.439 3.560 . 0 0 "[ . 1]" 1 137 1 18 MET HB3 1 19 PHE H . . 4.150 2.911 2.512 3.581 . 0 0 "[ . 1]" 1 138 1 19 PHE H 1 19 PHE HA . . 3.000 2.814 2.792 2.823 . 0 0 "[ . 1]" 1 139 1 19 PHE H 1 19 PHE QB . . 2.680 2.073 2.045 2.119 . 0 0 "[ . 1]" 1 140 1 19 PHE HA 1 20 PHE H . . 3.750 3.566 3.563 3.569 . 0 0 "[ . 1]" 1 141 1 19 PHE HA 1 22 LEU H . . 3.550 3.651 3.627 3.697 0.147 8 0 "[ . 1]" 1 142 1 19 PHE HA 1 22 LEU HB2 . . 3.650 3.115 2.987 3.606 . 0 0 "[ . 1]" 1 143 1 19 PHE HA 1 23 LEU H . . 3.800 3.860 3.816 3.924 0.124 8 0 "[ . 1]" 1 144 1 20 PHE H 1 20 PHE HA . . 3.020 2.761 2.756 2.768 . 0 0 "[ . 1]" 1 145 1 20 PHE H 1 20 PHE HB2 . . 2.710 2.350 2.302 2.402 . 0 0 "[ . 1]" 1 146 1 20 PHE H 1 20 PHE HB3 . . 3.770 3.568 3.555 3.580 . 0 0 "[ . 1]" 1 147 1 20 PHE HA 1 23 LEU H . . 3.600 3.703 3.656 3.735 0.135 3 0 "[ . 1]" 1 148 1 20 PHE HA 1 23 LEU QB . . 3.370 2.534 2.418 2.602 . 0 0 "[ . 1]" 1 149 1 20 PHE HA 1 23 LEU QD . . 3.130 2.241 2.194 2.414 . 0 0 "[ . 1]" 1 150 1 20 PHE HB3 1 23 LEU QD . . 3.540 3.576 3.517 3.667 0.127 8 0 "[ . 1]" 1 151 1 20 PHE QR 2 23 LEU QD . . 4.000 4.870 4.431 5.558 1.558 8 9 "[* **-**+**]" 1 152 1 20 PHE QD 1 23 LEU QD . . 3.190 2.168 1.940 2.399 . 0 0 "[ . 1]" 1 153 1 21 TRP H 1 21 TRP HA . . 3.070 2.798 2.772 2.803 . 0 0 "[ . 1]" 1 154 1 21 TRP H 1 21 TRP HB2 . . 2.920 2.232 2.159 2.313 . 0 0 "[ . 1]" 1 155 1 21 TRP H 1 21 TRP HB3 . . 2.940 2.878 2.769 2.989 0.049 2 0 "[ . 1]" 1 156 1 21 TRP H 1 22 LEU H . . 2.930 2.854 2.831 2.896 . 0 0 "[ . 1]" 1 157 1 21 TRP HA 1 22 LEU H . . 3.720 3.569 3.567 3.571 . 0 0 "[ . 1]" 1 158 1 21 TRP HA 1 24 LEU H . . 3.670 3.738 3.711 3.759 0.089 8 0 "[ . 1]" 1 159 1 21 TRP HA 1 24 LEU QB . . 4.160 2.908 2.809 3.079 . 0 0 "[ . 1]" 1 160 1 21 TRP HA 1 24 LEU QD . . 3.660 3.370 3.226 3.584 . 0 0 "[ . 1]" 1 161 1 21 TRP HB2 1 22 LEU H . . 3.390 3.438 3.383 3.500 0.110 8 0 "[ . 1]" 1 162 1 21 TRP HE3 1 24 LEU QD . . 3.620 3.260 3.112 3.449 . 0 0 "[ . 1]" 1 163 1 21 TRP HZ3 1 24 LEU QD . . 3.200 3.101 3.031 3.169 . 0 0 "[ . 1]" 1 164 1 22 LEU H 1 22 LEU HA . . 3.100 2.804 2.798 2.811 . 0 0 "[ . 1]" 1 165 1 22 LEU HA 1 25 VAL HB . . 3.880 2.945 2.779 3.046 . 0 0 "[ . 1]" 1 166 1 23 LEU H 1 23 LEU HA . . 2.930 2.785 2.778 2.790 . 0 0 "[ . 1]" 1 167 1 23 LEU HA 1 26 ILE H . . 3.540 3.591 3.573 3.624 0.084 8 0 "[ . 1]" 1 168 1 23 LEU HA 1 26 ILE HB . . 3.290 3.158 3.083 3.307 0.017 8 0 "[ . 1]" 1 169 1 23 LEU QD 2 20 PHE QR . . 4.000 4.872 4.455 5.563 1.563 8 9 "[- *****+**]" 1 170 1 23 LEU HG 1 27 ILE MD . . 2.720 2.085 1.909 2.374 . 0 0 "[ . 1]" 1 171 1 24 LEU H 1 24 LEU HA . . 2.960 2.806 2.801 2.810 . 0 0 "[ . 1]" 1 172 1 24 LEU HA 1 27 ILE H . . 3.620 3.600 3.528 3.647 0.027 3 0 "[ . 1]" 1 173 1 24 LEU HA 1 27 ILE HB . . 3.700 2.857 2.789 2.939 . 0 0 "[ . 1]" 1 174 1 24 LEU HA 1 27 ILE MD . . 2.750 2.254 2.013 2.546 . 0 0 "[ . 1]" 1 175 1 24 LEU HA 1 28 LEU HG . . 3.890 4.002 3.969 4.042 0.152 6 0 "[ . 1]" 1 176 1 24 LEU HA 2 24 LEU QD . . 3.500 3.383 3.080 3.525 0.025 4 0 "[ . 1]" 1 177 1 24 LEU HA 2 27 ILE MD . . 3.800 3.912 3.836 3.949 0.149 7 0 "[ . 1]" 1 178 1 24 LEU QD 2 24 LEU HA . . 3.500 3.381 3.076 3.527 0.027 4 0 "[ . 1]" 1 179 1 25 VAL H 1 25 VAL HA . . 3.130 2.808 2.796 2.813 . 0 0 "[ . 1]" 1 180 1 25 VAL H 1 25 VAL HB . . 2.960 2.486 2.469 2.511 . 0 0 "[ . 1]" 1 181 1 25 VAL HA 1 25 VAL MG2 . . 3.320 2.350 2.275 2.387 . 0 0 "[ . 1]" 1 182 1 25 VAL HA 1 26 ILE H . . 3.510 3.559 3.556 3.562 0.052 7 0 "[ . 1]" 1 183 1 25 VAL HA 1 28 LEU H . . 3.530 3.594 3.586 3.600 0.070 8 0 "[ . 1]" 1 184 1 25 VAL HA 1 28 LEU HB2 . . 3.780 3.015 2.936 3.106 . 0 0 "[ . 1]" 1 185 1 25 VAL HA 1 28 LEU MD1 . . 3.220 2.378 2.103 2.676 . 0 0 "[ . 1]" 1 186 1 25 VAL HB 1 26 ILE H . . 3.140 2.445 2.404 2.478 . 0 0 "[ . 1]" 1 187 1 25 VAL MG1 1 26 ILE H . . 3.410 3.173 3.151 3.202 . 0 0 "[ . 1]" 1 188 1 25 VAL MG1 1 29 ARG HD3 . . 3.440 3.532 3.524 3.538 0.098 10 0 "[ . 1]" 1 189 1 26 ILE H 1 26 ILE HA . . 2.970 2.788 2.781 2.797 . 0 0 "[ . 1]" 1 190 1 26 ILE H 1 26 ILE HB . . 2.650 2.637 2.634 2.642 . 0 0 "[ . 1]" 1 191 1 26 ILE H 1 26 ILE HG12 . . 3.070 3.131 3.123 3.145 0.075 4 0 "[ . 1]" 1 192 1 26 ILE H 1 26 ILE HG13 . . 2.780 1.936 1.929 1.944 . 0 0 "[ . 1]" 1 193 1 26 ILE H 1 27 ILE H . . 3.040 2.760 2.730 2.785 . 0 0 "[ . 1]" 1 194 1 26 ILE HA 1 26 ILE HG12 . . 3.160 2.556 2.551 2.560 . 0 0 "[ . 1]" 1 195 1 26 ILE HA 1 26 ILE HG13 . . 3.180 3.117 3.104 3.130 . 0 0 "[ . 1]" 1 196 1 26 ILE HA 1 29 ARG H . . 3.550 3.424 3.402 3.440 . 0 0 "[ . 1]" 1 197 1 26 ILE HA 1 29 ARG QB . . 3.340 2.387 2.290 2.478 . 0 0 "[ . 1]" 1 198 1 26 ILE MG 1 29 ARG HD2 . . 3.490 3.627 3.618 3.641 0.151 5 0 "[ . 1]" 1 199 1 27 ILE H 1 27 ILE HA . . 2.990 2.804 2.799 2.810 . 0 0 "[ . 1]" 1 200 1 27 ILE H 1 27 ILE HB . . 2.620 2.508 2.464 2.541 . 0 0 "[ . 1]" 1 201 1 27 ILE H 1 27 ILE HG12 . . 3.780 3.571 3.493 3.625 . 0 0 "[ . 1]" 1 202 1 27 ILE H 1 27 ILE HG13 . . 2.810 2.148 2.088 2.228 . 0 0 "[ . 1]" 1 203 1 27 ILE HA 1 27 ILE HG12 . . 3.320 2.660 2.563 2.739 . 0 0 "[ . 1]" 1 204 1 27 ILE HA 1 27 ILE HG13 . . 3.480 2.792 2.728 2.895 . 0 0 "[ . 1]" 1 205 1 27 ILE HA 1 28 LEU H . . 3.430 3.554 3.549 3.558 0.128 1 0 "[ . 1]" 1 206 1 27 ILE HA 1 30 THR H . . 4.480 3.739 3.623 3.849 . 0 0 "[ . 1]" 1 207 1 27 ILE HA 1 30 THR HB . . 3.690 3.506 3.280 3.690 0.000 7 0 "[ . 1]" 1 208 1 27 ILE MD 2 24 LEU HA . . 3.800 3.914 3.840 3.953 0.153 7 0 "[ . 1]" 1 209 1 27 ILE MG 1 28 LEU HA . . 3.550 3.375 3.312 3.424 . 0 0 "[ . 1]" 1 210 1 28 LEU H 1 28 LEU HA . . 2.990 2.833 2.826 2.838 . 0 0 "[ . 1]" 1 211 1 28 LEU H 1 28 LEU HB2 . . 2.570 2.544 2.522 2.577 0.007 6 0 "[ . 1]" 1 212 1 28 LEU H 1 28 LEU HB3 . . 3.710 3.591 3.589 3.592 . 0 0 "[ . 1]" 1 213 1 28 LEU H 1 28 LEU MD1 . . 3.400 3.210 3.110 3.335 . 0 0 "[ . 1]" 1 214 1 28 LEU H 1 28 LEU MD2 . . 3.820 3.586 3.502 3.663 . 0 0 "[ . 1]" 1 215 1 28 LEU H 1 28 LEU HG . . 3.310 2.166 2.097 2.218 . 0 0 "[ . 1]" 1 216 1 28 LEU H 1 29 ARG H . . 3.230 2.554 2.536 2.577 . 0 0 "[ . 1]" 1 217 1 28 LEU HA 1 28 LEU HB2 . . 3.120 3.014 3.013 3.015 . 0 0 "[ . 1]" 1 218 1 28 LEU HA 1 28 LEU MD1 . . 3.930 3.947 3.941 3.959 0.029 6 0 "[ . 1]" 1 219 1 28 LEU HA 1 28 LEU MD2 . . 2.510 2.364 2.256 2.499 . 0 0 "[ . 1]" 1 220 1 28 LEU HA 1 31 VAL HB . . 3.470 2.491 2.383 2.590 . 0 0 "[ . 1]" 1 221 1 29 ARG H 1 29 ARG HA . . 3.010 2.838 2.828 2.850 . 0 0 "[ . 1]" 1 222 1 29 ARG H 1 29 ARG QB . . 2.640 2.241 2.227 2.269 . 0 0 "[ . 1]" 1 223 1 29 ARG H 1 29 ARG HG3 . . 3.060 2.709 2.630 2.768 . 0 0 "[ . 1]" 1 224 1 29 ARG H 1 30 THR H . . 3.200 2.695 2.640 2.760 . 0 0 "[ . 1]" 1 225 1 29 ARG HA 1 29 ARG HG3 . . 3.340 2.721 2.703 2.734 . 0 0 "[ . 1]" 1 226 1 29 ARG HA 1 32 LYS H . . 3.520 3.586 3.573 3.609 0.089 4 0 "[ . 1]" 1 227 1 29 ARG HA 1 32 LYS QB . . 4.390 2.991 2.774 3.899 . 0 0 "[ . 1]" 1 228 1 29 ARG QB 1 30 THR H . . 3.710 2.417 2.363 2.497 . 0 0 "[ . 1]" 1 229 1 30 THR H 1 30 THR HB . . 3.780 2.107 2.105 2.110 . 0 0 "[ . 1]" 1 230 1 30 THR H 1 30 THR MG . . 3.150 3.246 3.231 3.259 0.109 3 0 "[ . 1]" 1 231 1 30 THR H 1 31 VAL H . . 3.000 2.607 2.583 2.620 . 0 0 "[ . 1]" 1 232 1 30 THR HA 1 30 THR MG . . 3.320 2.952 2.946 2.961 . 0 0 "[ . 1]" 1 233 1 30 THR HA 1 31 VAL H . . 3.270 3.507 3.504 3.508 0.238 7 0 "[ . 1]" 1 234 1 30 THR HA 1 33 ARG H . . 3.920 3.463 3.350 3.525 . 0 0 "[ . 1]" 1 235 1 30 THR HA 1 33 ARG HB2 . . 3.490 2.478 2.293 2.538 . 0 0 "[ . 1]" 1 236 1 30 THR HA 1 33 ARG HG3 . . 3.590 3.617 3.604 3.625 0.035 2 0 "[ . 1]" 1 237 1 30 THR HA 1 34 ALA H . . 4.600 4.564 4.346 4.608 0.008 5 0 "[ . 1]" 1 238 1 30 THR HB 1 31 VAL H . . 3.220 3.315 3.303 3.333 0.113 6 0 "[ . 1]" 1 239 1 30 THR MG 1 31 VAL H . . 3.240 2.424 2.413 2.437 . 0 0 "[ . 1]" 1 240 1 31 VAL H 1 31 VAL HA . . 3.120 2.852 2.837 2.861 . 0 0 "[ . 1]" 1 241 1 31 VAL H 1 31 VAL HB . . 2.900 2.463 2.438 2.489 . 0 0 "[ . 1]" 1 242 1 31 VAL H 1 32 LYS H . . 3.060 2.533 2.503 2.594 . 0 0 "[ . 1]" 1 243 1 31 VAL HA 1 32 LYS H . . 3.440 3.526 3.517 3.532 0.092 4 0 "[ . 1]" 1 244 1 31 VAL HA 1 33 ARG H . . 4.450 4.093 4.031 4.167 . 0 0 "[ . 1]" 1 245 1 31 VAL HA 1 34 ALA H . . 4.300 3.610 3.586 3.677 . 0 0 "[ . 1]" 1 246 1 31 VAL HA 1 34 ALA MB . . 3.000 3.029 3.015 3.042 0.042 7 0 "[ . 1]" 1 247 1 31 VAL HB 1 32 LYS H . . 3.280 2.692 2.654 2.753 . 0 0 "[ . 1]" 1 248 1 31 VAL MG1 1 32 LYS H . . 3.390 3.421 3.412 3.428 0.038 6 0 "[ . 1]" 1 249 1 31 VAL MG1 1 35 ASN HD21 . . 4.250 4.086 3.325 4.251 0.001 2 0 "[ . 1]" 1 250 1 32 LYS H 1 32 LYS HA . . 3.120 2.858 2.853 2.872 . 0 0 "[ . 1]" 1 251 1 32 LYS H 1 33 ARG H . . 3.150 2.473 2.425 2.491 . 0 0 "[ . 1]" 1 252 1 32 LYS HA 1 33 ARG H . . 3.450 3.457 3.445 3.468 0.018 10 0 "[ . 1]" 1 253 1 32 LYS HA 1 35 ASN HB3 . . 4.050 3.726 3.295 4.051 0.001 4 0 "[ . 1]" 1 254 1 33 ARG H 1 33 ARG QB . . 2.810 2.075 2.067 2.082 . 0 0 "[ . 1]" 1 255 1 33 ARG H 1 33 ARG HB3 . . 3.230 3.369 3.358 3.383 0.153 7 0 "[ . 1]" 1 256 1 33 ARG H 1 33 ARG HG2 . . 3.370 3.403 3.398 3.412 0.042 6 0 "[ . 1]" 1 257 1 33 ARG H 1 34 ALA H . . 3.500 2.531 2.503 2.550 . 0 0 "[ . 1]" 1 258 1 33 ARG HA 1 33 ARG QD . . 3.160 2.441 2.350 2.506 . 0 0 "[ . 1]" 1 259 1 33 ARG HA 1 37 GLY H . . 4.970 3.952 3.098 4.751 . 0 0 "[ . 1]" 1 260 1 33 ARG HB2 1 34 ALA H . . 3.690 3.108 3.055 3.183 . 0 0 "[ . 1]" 1 261 1 33 ARG HB3 1 34 ALA H . . 3.860 3.237 3.177 3.295 . 0 0 "[ . 1]" 1 262 1 34 ALA H 1 34 ALA MB . . 2.570 2.058 2.031 2.097 . 0 0 "[ . 1]" 1 263 1 34 ALA HA 1 34 ALA MB . . 2.400 2.089 2.083 2.098 . 0 0 "[ . 1]" 1 264 1 34 ALA HA 1 35 ASN H . . 3.510 3.515 3.500 3.523 0.013 1 0 "[ . 1]" 1 265 1 34 ALA HA 1 36 GLY H . . 4.090 3.991 3.812 4.092 0.002 8 0 "[ . 1]" 1 266 1 34 ALA MB 1 35 ASN H . . 2.970 2.794 2.740 2.856 . 0 0 "[ . 1]" 1 267 1 34 ALA MB 1 37 GLY H . . 5.500 5.030 4.520 5.466 . 0 0 "[ . 1]" 1 268 1 35 ASN H 1 35 ASN HB2 . . 3.340 2.180 2.121 2.290 . 0 0 "[ . 1]" 1 269 1 35 ASN H 1 35 ASN HB3 . . 3.610 3.014 2.801 3.464 . 0 0 "[ . 1]" 1 270 1 35 ASN HA 1 36 GLY H . . 3.610 3.494 3.471 3.516 . 0 0 "[ . 1]" 1 271 1 35 ASN HB2 1 36 GLY H . . 4.950 3.624 3.155 3.842 . 0 0 "[ . 1]" 1 272 1 36 GLY QA 1 37 GLY H . . 3.710 2.566 2.392 2.747 . 0 0 "[ . 1]" 1 273 2 1 GLU H1 2 1 GLU HA . . 3.400 2.815 2.662 2.943 . 0 0 "[ . 1]" 1 274 2 1 GLU H1 2 1 GLU HB2 . . 3.300 2.409 2.124 2.647 . 0 0 "[ . 1]" 1 275 2 1 GLU H1 2 1 GLU QG . . 3.520 2.623 2.154 3.501 . 0 0 "[ . 1]" 1 276 2 1 GLU HA 2 2 LYS H . . 2.940 2.588 2.204 2.918 . 0 0 "[ . 1]" 1 277 2 2 LYS H 2 2 LYS QB . . 3.060 2.428 2.112 3.061 0.001 5 0 "[ . 1]" 1 278 2 2 LYS H 2 2 LYS QG . . 3.780 2.977 1.930 3.756 . 0 0 "[ . 1]" 1 279 2 2 LYS H 2 3 THR H . . 3.660 2.454 1.942 2.883 . 0 0 "[ . 1]" 1 280 2 2 LYS HA 2 3 THR H . . 3.560 3.539 3.506 3.570 0.010 1 0 "[ . 1]" 1 281 2 2 LYS QB 2 3 THR H . . 3.360 2.737 2.106 3.376 0.016 7 0 "[ . 1]" 1 282 2 3 THR H 2 3 THR HB . . 3.000 3.616 3.614 3.617 0.617 6 10 [*****+***-] 1 283 2 3 THR H 2 3 THR MG . . 2.850 2.236 2.206 2.276 . 0 0 "[ . 1]" 1 284 2 3 THR HA 2 3 THR MG . . 2.480 2.251 2.228 2.266 . 0 0 "[ . 1]" 1 285 2 3 THR HA 2 4 ASN H . . 2.980 3.572 3.571 3.573 0.593 10 10 [*****-***+] 1 286 2 3 THR HA 2 5 LEU H . . 4.100 4.159 4.153 4.164 0.064 4 0 "[ . 1]" 1 287 2 3 THR HA 2 6 GLU H . . 3.710 3.287 3.276 3.293 . 0 0 "[ . 1]" 1 288 2 3 THR HA 2 6 GLU QB . . 3.730 2.606 2.594 2.614 . 0 0 "[ . 1]" 1 289 2 3 THR HA 2 7 ILE H . . 4.070 4.169 4.164 4.174 0.104 2 0 "[ . 1]" 1 290 2 3 THR HB 2 3 THR MG . . 2.490 2.129 2.124 2.131 . 0 0 "[ . 1]" 1 291 2 3 THR HB 2 7 ILE MD . . 3.600 2.710 2.697 2.723 . 0 0 "[ . 1]" 1 292 2 3 THR MG 2 4 ASN H . . 3.780 3.795 3.791 3.801 0.021 2 0 "[ . 1]" 1 293 2 4 ASN H 2 4 ASN HB2 . . 3.440 2.456 2.292 2.713 . 0 0 "[ . 1]" 1 294 2 4 ASN H 2 4 ASN HB3 . . 3.680 3.586 3.554 3.601 . 0 0 "[ . 1]" 1 295 2 4 ASN HA 2 5 LEU H . . 3.120 3.523 3.522 3.524 0.404 2 0 "[ . 1]" 1 296 2 4 ASN HA 2 7 ILE H . . 3.760 3.871 3.868 3.877 0.117 4 0 "[ . 1]" 1 297 2 4 ASN HA 2 7 ILE HB . . 3.720 3.294 3.280 3.317 . 0 0 "[ . 1]" 1 298 2 4 ASN HA 2 7 ILE MD . . 3.000 2.488 2.472 2.512 . 0 0 "[ . 1]" 1 299 2 4 ASN HB2 2 5 LEU H . . 3.410 2.765 2.675 2.873 . 0 0 "[ . 1]" 1 300 2 5 LEU H 2 5 LEU QB . . 2.640 2.040 2.038 2.042 . 0 0 "[ . 1]" 1 301 2 5 LEU H 2 5 LEU HG . . 3.530 3.576 3.570 3.580 0.050 5 0 "[ . 1]" 1 302 2 5 LEU H 2 6 GLU H . . 3.050 2.599 2.585 2.608 . 0 0 "[ . 1]" 1 303 2 5 LEU HA 2 5 LEU MD1 . . 3.810 3.777 3.777 3.778 . 0 0 "[ . 1]" 1 304 2 5 LEU HA 2 5 LEU MD2 . . 2.750 1.945 1.942 1.949 . 0 0 "[ . 1]" 1 305 2 5 LEU HA 2 6 GLU H . . 3.520 3.551 3.548 3.553 0.033 2 0 "[ . 1]" 1 306 2 5 LEU HA 2 8 ILE H . . 3.430 3.465 3.459 3.471 0.041 1 0 "[ . 1]" 1 307 2 5 LEU HA 2 8 ILE HB . . 3.210 2.533 2.516 2.553 . 0 0 "[ . 1]" 1 308 2 5 LEU HA 2 8 ILE MD . . 2.910 2.171 2.097 2.297 . 0 0 "[ . 1]" 1 309 2 5 LEU HA 2 9 ILE H . . 3.690 3.787 3.765 3.799 0.109 10 0 "[ . 1]" 1 310 2 5 LEU QB 2 6 GLU H . . 2.950 2.594 2.585 2.612 . 0 0 "[ . 1]" 1 311 2 5 LEU MD2 2 8 ILE HB . . 2.690 2.774 2.771 2.778 0.088 7 0 "[ . 1]" 1 312 2 6 GLU H 2 6 GLU QB . . 2.880 2.441 2.436 2.445 . 0 0 "[ . 1]" 1 313 2 6 GLU H 2 6 GLU HG2 . . 3.200 2.336 2.330 2.341 . 0 0 "[ . 1]" 1 314 2 6 GLU H 2 6 GLU HG3 . . 4.280 3.789 3.784 3.792 . 0 0 "[ . 1]" 1 315 2 6 GLU H 2 7 ILE H . . 3.140 2.881 2.874 2.885 . 0 0 "[ . 1]" 1 316 2 6 GLU HA 2 6 GLU HG2 . . 3.890 3.223 3.207 3.238 . 0 0 "[ . 1]" 1 317 2 6 GLU HA 2 9 ILE H . . 4.210 3.886 3.874 3.908 . 0 0 "[ . 1]" 1 318 2 6 GLU HA 2 9 ILE HG13 . . 3.920 3.930 3.822 3.975 0.055 7 0 "[ . 1]" 1 319 2 6 GLU QB 2 7 ILE H . . 3.240 2.435 2.425 2.440 . 0 0 "[ . 1]" 1 320 2 7 ILE H 2 7 ILE HA . . 3.040 2.822 2.820 2.824 . 0 0 "[ . 1]" 1 321 2 7 ILE H 2 7 ILE HB . . 2.710 2.430 2.428 2.432 . 0 0 "[ . 1]" 1 322 2 7 ILE H 2 7 ILE MD . . 2.970 2.183 2.176 2.192 . 0 0 "[ . 1]" 1 323 2 7 ILE H 2 7 ILE HG12 . . 3.930 3.953 3.950 3.956 0.026 5 0 "[ . 1]" 1 324 2 7 ILE H 2 7 ILE HG13 . . 2.960 3.039 3.035 3.044 0.084 9 0 "[ . 1]" 1 325 2 7 ILE HA 2 7 ILE HG12 . . 3.510 3.413 3.409 3.418 . 0 0 "[ . 1]" 1 326 2 7 ILE HA 2 7 ILE HG13 . . 3.450 2.234 2.231 2.237 . 0 0 "[ . 1]" 1 327 2 7 ILE HA 2 8 ILE H . . 3.490 3.559 3.558 3.560 0.070 3 0 "[ . 1]" 1 328 2 7 ILE HA 2 10 LEU HB2 . . 3.590 2.733 2.716 2.758 . 0 0 "[ . 1]" 1 329 2 7 ILE HA 2 10 LEU HB3 . . 4.770 4.258 4.236 4.284 . 0 0 "[ . 1]" 1 330 2 8 ILE H 2 8 ILE HB . . 2.660 2.496 2.491 2.504 . 0 0 "[ . 1]" 1 331 2 8 ILE H 2 8 ILE HG12 . . 3.740 3.646 3.638 3.655 . 0 0 "[ . 1]" 1 332 2 8 ILE H 2 8 ILE HG13 . . 2.880 2.188 2.174 2.198 . 0 0 "[ . 1]" 1 333 2 8 ILE H 2 9 ILE H . . 3.120 2.870 2.863 2.882 . 0 0 "[ . 1]" 1 334 2 9 ILE H 2 9 ILE HA . . 3.080 2.775 2.773 2.778 . 0 0 "[ . 1]" 1 335 2 9 ILE H 2 9 ILE HB . . 2.820 2.539 2.486 2.562 . 0 0 "[ . 1]" 1 336 2 9 ILE HA 2 10 LEU H . . 3.410 3.564 3.562 3.564 0.154 2 0 "[ . 1]" 1 337 2 10 LEU H 2 10 LEU HB2 . . 2.750 2.224 2.221 2.226 . 0 0 "[ . 1]" 1 338 2 10 LEU H 2 10 LEU HB3 . . 3.890 3.519 3.518 3.521 . 0 0 "[ . 1]" 1 339 2 10 LEU H 2 10 LEU QD . . 3.450 1.980 1.970 1.985 . 0 0 "[ . 1]" 1 340 2 10 LEU H 2 10 LEU HG . . 3.460 3.663 3.653 3.670 0.210 1 0 "[ . 1]" 1 341 2 10 LEU H 2 11 VAL H . . 3.120 2.916 2.913 2.921 . 0 0 "[ . 1]" 1 342 2 10 LEU HA 2 10 LEU QD . . 2.830 1.984 1.977 1.988 . 0 0 "[ . 1]" 1 343 2 10 LEU HA 2 11 VAL H . . 3.590 3.557 3.557 3.559 . 0 0 "[ . 1]" 1 344 2 10 LEU HA 2 13 THR H . . 3.450 3.509 3.501 3.516 0.066 2 0 "[ . 1]" 1 345 2 10 LEU HA 2 13 THR HB . . 3.790 3.959 3.949 3.963 0.173 9 0 "[ . 1]" 1 346 2 10 LEU HB2 2 11 VAL H . . 3.180 2.661 2.650 2.671 . 0 0 "[ . 1]" 1 347 2 10 LEU HB3 2 11 VAL H . . 3.300 3.090 3.077 3.095 . 0 0 "[ . 1]" 1 348 2 11 VAL H 2 11 VAL HA . . 3.070 2.780 2.777 2.782 . 0 0 "[ . 1]" 1 349 2 11 VAL H 2 11 VAL HB . . 2.890 2.482 2.479 2.489 . 0 0 "[ . 1]" 1 350 2 11 VAL H 2 11 VAL MG1 . . 3.950 3.756 3.756 3.757 . 0 0 "[ . 1]" 1 351 2 11 VAL H 2 11 VAL MG2 . . 2.680 2.300 2.188 2.384 . 0 0 "[ . 1]" 1 352 2 11 VAL H 2 12 GLY H . . 3.050 2.837 2.832 2.847 . 0 0 "[ . 1]" 1 353 2 11 VAL HA 2 14 ALA H . . 3.530 3.629 3.619 3.641 0.111 2 0 "[ . 1]" 1 354 2 11 VAL HA 2 14 ALA MB . . 3.730 2.754 2.750 2.759 . 0 0 "[ . 1]" 1 355 2 11 VAL HB 2 12 GLY H . . 2.970 2.466 2.455 2.474 . 0 0 "[ . 1]" 1 356 2 11 VAL MG1 2 12 GLY H . . 3.060 3.129 3.125 3.135 0.075 8 0 "[ . 1]" 1 357 2 11 VAL MG1 2 14 ALA MB . . 3.810 3.835 3.830 3.837 0.027 4 0 "[ . 1]" 1 358 2 12 GLY H 2 12 GLY QA . . 2.510 2.202 2.201 2.203 . 0 0 "[ . 1]" 1 359 2 12 GLY H 2 13 THR H . . 3.140 2.661 2.653 2.671 . 0 0 "[ . 1]" 1 360 2 12 GLY QA 2 13 THR H . . 3.060 2.737 2.726 2.743 . 0 0 "[ . 1]" 1 361 2 12 GLY QA 2 15 VAL MG2 . . 3.620 3.127 3.039 3.243 . 0 0 "[ . 1]" 1 362 2 13 THR H 2 13 THR HB . . 3.800 3.503 3.498 3.505 . 0 0 "[ . 1]" 1 363 2 13 THR H 2 13 THR HG1 . . 3.160 2.258 2.099 2.355 . 0 0 "[ . 1]" 1 364 2 13 THR H 2 13 THR MG . . 3.050 2.945 2.938 2.964 . 0 0 "[ . 1]" 1 365 2 13 THR H 2 14 ALA H . . 3.060 2.555 2.545 2.571 . 0 0 "[ . 1]" 1 366 2 13 THR HA 2 13 THR MG . . 3.210 2.134 2.129 2.138 . 0 0 "[ . 1]" 1 367 2 13 THR HA 2 16 ILE MG . . 4.000 4.041 4.031 4.046 0.046 5 0 "[ . 1]" 1 368 2 13 THR HB 2 14 ALA H . . 3.330 3.375 3.369 3.378 0.048 1 0 "[ . 1]" 1 369 2 14 ALA H 2 14 ALA MB . . 2.720 2.220 2.219 2.222 . 0 0 "[ . 1]" 1 370 2 14 ALA H 2 15 VAL H . . 3.060 2.711 2.702 2.720 . 0 0 "[ . 1]" 1 371 2 14 ALA HA 2 15 VAL H . . 3.620 3.556 3.554 3.558 . 0 0 "[ . 1]" 1 372 2 14 ALA HA 2 17 ALA H . . 3.700 3.665 3.637 3.708 0.008 10 0 "[ . 1]" 1 373 2 14 ALA HA 2 17 ALA MB . . 3.790 2.806 2.654 2.894 . 0 0 "[ . 1]" 1 374 2 14 ALA MB 2 15 VAL H . . 3.180 2.448 2.431 2.462 . 0 0 "[ . 1]" 1 375 2 15 VAL H 2 15 VAL HA . . 3.100 2.808 2.802 2.811 . 0 0 "[ . 1]" 1 376 2 15 VAL H 2 15 VAL HB . . 2.930 2.550 2.544 2.556 . 0 0 "[ . 1]" 1 377 2 15 VAL H 2 15 VAL MG1 . . 3.950 3.764 3.763 3.764 . 0 0 "[ . 1]" 1 378 2 15 VAL H 2 15 VAL MG2 . . 2.830 2.174 1.997 2.288 . 0 0 "[ . 1]" 1 379 2 15 VAL HA 2 15 VAL MG1 . . 2.790 2.379 2.325 2.395 . 0 0 "[ . 1]" 1 380 2 15 VAL HA 2 15 VAL MG2 . . 2.690 2.369 2.294 2.435 . 0 0 "[ . 1]" 1 381 2 15 VAL HA 2 18 MET H . . 3.460 3.512 3.505 3.526 0.066 9 0 "[ . 1]" 1 382 2 15 VAL HB 2 16 ILE H . . 3.080 2.437 2.390 2.467 . 0 0 "[ . 1]" 1 383 2 15 VAL MG1 2 19 PHE QB . . 3.690 3.622 3.539 3.673 . 0 0 "[ . 1]" 1 384 2 15 VAL MG1 2 19 PHE QD . . 3.460 3.170 2.865 3.421 . 0 0 "[ . 1]" 1 385 2 16 ILE H 2 16 ILE HA . . 3.010 2.788 2.778 2.795 . 0 0 "[ . 1]" 1 386 2 16 ILE H 2 16 ILE HB . . 2.860 2.441 2.435 2.450 . 0 0 "[ . 1]" 1 387 2 16 ILE H 2 16 ILE HG12 . . 2.970 2.285 2.266 2.299 . 0 0 "[ . 1]" 1 388 2 16 ILE H 2 17 ALA H . . 3.070 2.744 2.726 2.777 . 0 0 "[ . 1]" 1 389 2 16 ILE HA 2 16 ILE MD . . 3.760 1.980 1.959 2.009 . 0 0 "[ . 1]" 1 390 2 16 ILE HA 2 16 ILE HG12 . . 3.820 2.916 2.906 2.925 . 0 0 "[ . 1]" 1 391 2 16 ILE HA 2 16 ILE HG13 . . 3.500 3.664 3.662 3.665 0.165 1 0 "[ . 1]" 1 392 2 16 ILE HA 2 17 ALA H . . 3.790 3.536 3.529 3.543 . 0 0 "[ . 1]" 1 393 2 16 ILE HA 2 19 PHE H . . 3.510 3.505 3.464 3.534 0.024 2 0 "[ . 1]" 1 394 2 16 ILE HA 2 19 PHE QB . . 3.840 2.752 2.655 2.836 . 0 0 "[ . 1]" 1 395 2 16 ILE MG 2 17 ALA H . . 3.350 3.315 3.269 3.357 0.007 4 0 "[ . 1]" 1 396 2 16 ILE MG 2 20 PHE QD . . 3.580 2.527 2.461 2.653 . 0 0 "[ . 1]" 1 397 2 17 ALA H 2 17 ALA MB . . 2.790 2.117 2.028 2.231 . 0 0 "[ . 1]" 1 398 2 17 ALA HA 2 20 PHE HB2 . . 4.180 2.943 2.849 3.033 . 0 0 "[ . 1]" 1 399 2 17 ALA MB 2 18 MET H . . 3.120 2.580 2.488 2.661 . 0 0 "[ . 1]" 1 400 2 18 MET H 2 18 MET HB3 . . 4.200 2.917 2.437 3.561 . 0 0 "[ . 1]" 1 401 2 18 MET HB3 2 19 PHE H . . 4.150 2.911 2.510 3.579 . 0 0 "[ . 1]" 1 402 2 19 PHE H 2 19 PHE HA . . 3.000 2.814 2.788 2.824 . 0 0 "[ . 1]" 1 403 2 19 PHE H 2 19 PHE QB . . 2.680 2.073 2.044 2.121 . 0 0 "[ . 1]" 1 404 2 19 PHE HA 2 20 PHE H . . 3.750 3.565 3.559 3.568 . 0 0 "[ . 1]" 1 405 2 19 PHE HA 2 22 LEU H . . 3.550 3.653 3.628 3.693 0.143 8 0 "[ . 1]" 1 406 2 19 PHE HA 2 22 LEU HB2 . . 3.650 3.118 2.986 3.609 . 0 0 "[ . 1]" 1 407 2 19 PHE HA 2 23 LEU H . . 3.800 3.859 3.816 3.925 0.125 8 0 "[ . 1]" 1 408 2 20 PHE H 2 20 PHE HA . . 3.020 2.761 2.756 2.768 . 0 0 "[ . 1]" 1 409 2 20 PHE H 2 20 PHE HB2 . . 2.710 2.348 2.293 2.400 . 0 0 "[ . 1]" 1 410 2 20 PHE H 2 20 PHE HB3 . . 3.770 3.567 3.551 3.580 . 0 0 "[ . 1]" 1 411 2 20 PHE HA 2 23 LEU H . . 3.600 3.703 3.649 3.734 0.134 3 0 "[ . 1]" 1 412 2 20 PHE HA 2 23 LEU QB . . 3.370 2.535 2.416 2.603 . 0 0 "[ . 1]" 1 413 2 20 PHE HA 2 23 LEU QD . . 3.130 2.240 2.191 2.407 . 0 0 "[ . 1]" 1 414 2 20 PHE HB3 2 23 LEU QD . . 3.540 3.576 3.516 3.667 0.127 10 0 "[ . 1]" 1 415 2 20 PHE QD 2 23 LEU QD . . 3.190 2.168 1.941 2.390 . 0 0 "[ . 1]" 1 416 2 21 TRP H 2 21 TRP HA . . 3.070 2.798 2.769 2.806 . 0 0 "[ . 1]" 1 417 2 21 TRP H 2 21 TRP HB2 . . 2.920 2.233 2.165 2.316 . 0 0 "[ . 1]" 1 418 2 21 TRP H 2 21 TRP HB3 . . 2.940 2.877 2.766 2.980 0.040 2 0 "[ . 1]" 1 419 2 21 TRP H 2 22 LEU H . . 2.930 2.854 2.831 2.900 . 0 0 "[ . 1]" 1 420 2 21 TRP HA 2 22 LEU H . . 3.720 3.569 3.566 3.571 . 0 0 "[ . 1]" 1 421 2 21 TRP HA 2 24 LEU H . . 3.670 3.736 3.701 3.755 0.085 8 0 "[ . 1]" 1 422 2 21 TRP HA 2 24 LEU QB . . 4.160 2.909 2.813 3.081 . 0 0 "[ . 1]" 1 423 2 21 TRP HA 2 24 LEU QD . . 3.660 3.367 3.221 3.586 . 0 0 "[ . 1]" 1 424 2 21 TRP HB2 2 22 LEU H . . 3.390 3.440 3.403 3.501 0.111 8 0 "[ . 1]" 1 425 2 21 TRP HE3 2 24 LEU QD . . 3.620 3.252 3.112 3.448 . 0 0 "[ . 1]" 1 426 2 21 TRP HZ3 2 24 LEU QD . . 3.200 3.095 3.032 3.168 . 0 0 "[ . 1]" 1 427 2 22 LEU H 2 22 LEU HA . . 3.100 2.805 2.799 2.812 . 0 0 "[ . 1]" 1 428 2 22 LEU HA 2 25 VAL HB . . 3.880 2.944 2.779 3.046 . 0 0 "[ . 1]" 1 429 2 23 LEU H 2 23 LEU HA . . 2.930 2.786 2.778 2.790 . 0 0 "[ . 1]" 1 430 2 23 LEU HA 2 26 ILE H . . 3.540 3.590 3.570 3.631 0.091 8 0 "[ . 1]" 1 431 2 23 LEU HA 2 26 ILE HB . . 3.290 3.157 3.086 3.305 0.015 8 0 "[ . 1]" 1 432 2 23 LEU HG 2 27 ILE MD . . 2.720 2.075 1.911 2.375 . 0 0 "[ . 1]" 1 433 2 24 LEU H 2 24 LEU HA . . 2.960 2.806 2.802 2.810 . 0 0 "[ . 1]" 1 434 2 24 LEU HA 2 27 ILE H . . 3.620 3.600 3.529 3.645 0.025 3 0 "[ . 1]" 1 435 2 24 LEU HA 2 27 ILE HB . . 3.700 2.854 2.782 2.935 . 0 0 "[ . 1]" 1 436 2 24 LEU HA 2 27 ILE MD . . 2.750 2.253 2.015 2.545 . 0 0 "[ . 1]" 1 437 2 24 LEU HA 2 28 LEU HG . . 3.890 4.002 3.969 4.041 0.151 7 0 "[ . 1]" 1 438 2 25 VAL H 2 25 VAL HA . . 3.130 2.808 2.802 2.813 . 0 0 "[ . 1]" 1 439 2 25 VAL H 2 25 VAL HB . . 2.960 2.484 2.468 2.512 . 0 0 "[ . 1]" 1 440 2 25 VAL HA 2 25 VAL MG2 . . 3.320 2.350 2.276 2.387 . 0 0 "[ . 1]" 1 441 2 25 VAL HA 2 26 ILE H . . 3.510 3.559 3.556 3.562 0.052 5 0 "[ . 1]" 1 442 2 25 VAL HA 2 28 LEU H . . 3.530 3.593 3.586 3.598 0.068 8 0 "[ . 1]" 1 443 2 25 VAL HA 2 28 LEU HB2 . . 3.780 3.014 2.938 3.104 . 0 0 "[ . 1]" 1 444 2 25 VAL HA 2 28 LEU MD1 . . 3.220 2.377 2.099 2.668 . 0 0 "[ . 1]" 1 445 2 25 VAL HB 2 26 ILE H . . 3.140 2.446 2.403 2.483 . 0 0 "[ . 1]" 1 446 2 25 VAL MG1 2 26 ILE H . . 3.410 3.173 3.141 3.203 . 0 0 "[ . 1]" 1 447 2 25 VAL MG1 2 29 ARG HD3 . . 3.440 3.532 3.525 3.539 0.099 10 0 "[ . 1]" 1 448 2 26 ILE H 2 26 ILE HA . . 2.970 2.788 2.780 2.798 . 0 0 "[ . 1]" 1 449 2 26 ILE H 2 26 ILE HB . . 2.650 2.637 2.632 2.641 . 0 0 "[ . 1]" 1 450 2 26 ILE H 2 26 ILE HG12 . . 3.070 3.132 3.125 3.143 0.073 4 0 "[ . 1]" 1 451 2 26 ILE H 2 26 ILE HG13 . . 2.780 1.935 1.928 1.946 . 0 0 "[ . 1]" 1 452 2 26 ILE H 2 27 ILE H . . 3.040 2.759 2.731 2.784 . 0 0 "[ . 1]" 1 453 2 26 ILE HA 2 26 ILE HG12 . . 3.160 2.557 2.551 2.566 . 0 0 "[ . 1]" 1 454 2 26 ILE HA 2 26 ILE HG13 . . 3.180 3.117 3.105 3.129 . 0 0 "[ . 1]" 1 455 2 26 ILE HA 2 29 ARG H . . 3.550 3.422 3.403 3.442 . 0 0 "[ . 1]" 1 456 2 26 ILE HA 2 29 ARG QB . . 3.340 2.386 2.292 2.477 . 0 0 "[ . 1]" 1 457 2 26 ILE MG 2 29 ARG HD2 . . 3.490 3.625 3.606 3.641 0.151 5 0 "[ . 1]" 1 458 2 27 ILE H 2 27 ILE HA . . 2.990 2.804 2.799 2.810 . 0 0 "[ . 1]" 1 459 2 27 ILE H 2 27 ILE HB . . 2.620 2.507 2.463 2.541 . 0 0 "[ . 1]" 1 460 2 27 ILE H 2 27 ILE HG12 . . 3.780 3.576 3.498 3.625 . 0 0 "[ . 1]" 1 461 2 27 ILE H 2 27 ILE HG13 . . 2.810 2.151 2.091 2.233 . 0 0 "[ . 1]" 1 462 2 27 ILE HA 2 27 ILE HG12 . . 3.320 2.662 2.562 2.737 . 0 0 "[ . 1]" 1 463 2 27 ILE HA 2 27 ILE HG13 . . 3.480 2.789 2.727 2.892 . 0 0 "[ . 1]" 1 464 2 27 ILE HA 2 28 LEU H . . 3.430 3.553 3.548 3.558 0.128 7 0 "[ . 1]" 1 465 2 27 ILE HA 2 30 THR H . . 4.480 3.738 3.626 3.850 . 0 0 "[ . 1]" 1 466 2 27 ILE HA 2 30 THR HB . . 3.690 3.505 3.287 3.693 0.003 7 0 "[ . 1]" 1 467 2 27 ILE MG 2 28 LEU HA . . 3.550 3.375 3.310 3.422 . 0 0 "[ . 1]" 1 468 2 28 LEU H 2 28 LEU HA . . 2.990 2.833 2.826 2.840 . 0 0 "[ . 1]" 1 469 2 28 LEU H 2 28 LEU HB2 . . 2.570 2.542 2.514 2.577 0.007 6 0 "[ . 1]" 1 470 2 28 LEU H 2 28 LEU HB3 . . 3.710 3.591 3.589 3.592 . 0 0 "[ . 1]" 1 471 2 28 LEU H 2 28 LEU MD1 . . 3.400 3.210 3.106 3.313 . 0 0 "[ . 1]" 1 472 2 28 LEU H 2 28 LEU MD2 . . 3.820 3.591 3.501 3.656 . 0 0 "[ . 1]" 1 473 2 28 LEU H 2 28 LEU HG . . 3.310 2.170 2.099 2.223 . 0 0 "[ . 1]" 1 474 2 28 LEU H 2 29 ARG H . . 3.230 2.552 2.530 2.575 . 0 0 "[ . 1]" 1 475 2 28 LEU HA 2 28 LEU HB2 . . 3.120 3.014 3.012 3.015 . 0 0 "[ . 1]" 1 476 2 28 LEU HA 2 28 LEU MD1 . . 3.930 3.946 3.938 3.958 0.028 6 0 "[ . 1]" 1 477 2 28 LEU HA 2 28 LEU MD2 . . 2.510 2.364 2.276 2.502 . 0 0 "[ . 1]" 1 478 2 28 LEU HA 2 31 VAL HB . . 3.470 2.492 2.380 2.584 . 0 0 "[ . 1]" 1 479 2 29 ARG H 2 29 ARG HA . . 3.010 2.838 2.828 2.850 . 0 0 "[ . 1]" 1 480 2 29 ARG H 2 29 ARG QB . . 2.640 2.241 2.227 2.268 . 0 0 "[ . 1]" 1 481 2 29 ARG H 2 29 ARG HG3 . . 3.060 2.710 2.635 2.750 . 0 0 "[ . 1]" 1 482 2 29 ARG H 2 30 THR H . . 3.200 2.693 2.637 2.759 . 0 0 "[ . 1]" 1 483 2 29 ARG HA 2 29 ARG HG3 . . 3.340 2.720 2.699 2.734 . 0 0 "[ . 1]" 1 484 2 29 ARG HA 2 32 LYS H . . 3.520 3.588 3.574 3.611 0.091 4 0 "[ . 1]" 1 485 2 29 ARG HA 2 32 LYS QB . . 4.390 2.991 2.779 3.899 . 0 0 "[ . 1]" 1 486 2 29 ARG QB 2 30 THR H . . 3.710 2.419 2.366 2.496 . 0 0 "[ . 1]" 1 487 2 30 THR H 2 30 THR HB . . 3.780 2.107 2.105 2.110 . 0 0 "[ . 1]" 1 488 2 30 THR H 2 30 THR MG . . 3.150 3.246 3.231 3.258 0.108 3 0 "[ . 1]" 1 489 2 30 THR H 2 31 VAL H . . 3.000 2.605 2.582 2.617 . 0 0 "[ . 1]" 1 490 2 30 THR HA 2 30 THR MG . . 3.320 2.952 2.947 2.961 . 0 0 "[ . 1]" 1 491 2 30 THR HA 2 31 VAL H . . 3.270 3.507 3.506 3.509 0.239 3 0 "[ . 1]" 1 492 2 30 THR HA 2 33 ARG H . . 3.920 3.464 3.352 3.535 . 0 0 "[ . 1]" 1 493 2 30 THR HA 2 33 ARG HB2 . . 3.490 2.480 2.295 2.559 . 0 0 "[ . 1]" 1 494 2 30 THR HA 2 33 ARG HG3 . . 3.590 3.616 3.604 3.625 0.035 2 0 "[ . 1]" 1 495 2 30 THR HA 2 34 ALA H . . 4.600 4.561 4.352 4.609 0.009 7 0 "[ . 1]" 1 496 2 30 THR HB 2 31 VAL H . . 3.220 3.314 3.304 3.334 0.114 6 0 "[ . 1]" 1 497 2 30 THR MG 2 31 VAL H . . 3.240 2.423 2.416 2.435 . 0 0 "[ . 1]" 1 498 2 31 VAL H 2 31 VAL HA . . 3.120 2.853 2.836 2.862 . 0 0 "[ . 1]" 1 499 2 31 VAL H 2 31 VAL HB . . 2.900 2.464 2.436 2.489 . 0 0 "[ . 1]" 1 500 2 31 VAL H 2 32 LYS H . . 3.060 2.533 2.499 2.594 . 0 0 "[ . 1]" 1 501 2 31 VAL HA 2 32 LYS H . . 3.440 3.526 3.516 3.532 0.092 4 0 "[ . 1]" 1 502 2 31 VAL HA 2 33 ARG H . . 4.450 4.096 4.042 4.168 . 0 0 "[ . 1]" 1 503 2 31 VAL HA 2 34 ALA H . . 4.300 3.612 3.588 3.676 . 0 0 "[ . 1]" 1 504 2 31 VAL HA 2 34 ALA MB . . 3.000 3.029 3.020 3.040 0.040 7 0 "[ . 1]" 1 505 2 31 VAL HB 2 32 LYS H . . 3.280 2.692 2.653 2.754 . 0 0 "[ . 1]" 1 506 2 31 VAL MG1 2 32 LYS H . . 3.390 3.423 3.413 3.429 0.039 6 0 "[ . 1]" 1 507 2 31 VAL MG1 2 35 ASN HD21 . . 4.250 4.071 3.330 4.254 0.004 9 0 "[ . 1]" 1 508 2 32 LYS H 2 32 LYS HA . . 3.120 2.858 2.853 2.870 . 0 0 "[ . 1]" 1 509 2 32 LYS H 2 33 ARG H . . 3.150 2.473 2.426 2.492 . 0 0 "[ . 1]" 1 510 2 32 LYS HA 2 33 ARG H . . 3.450 3.458 3.448 3.467 0.017 10 0 "[ . 1]" 1 511 2 32 LYS HA 2 35 ASN HB3 . . 4.050 3.709 3.297 4.036 . 0 0 "[ . 1]" 1 512 2 33 ARG H 2 33 ARG QB . . 2.810 2.075 2.067 2.081 . 0 0 "[ . 1]" 1 513 2 33 ARG H 2 33 ARG HB3 . . 3.230 3.370 3.357 3.384 0.154 7 0 "[ . 1]" 1 514 2 33 ARG H 2 33 ARG HG2 . . 3.370 3.400 3.390 3.406 0.036 10 0 "[ . 1]" 1 515 2 33 ARG H 2 34 ALA H . . 3.500 2.535 2.504 2.551 . 0 0 "[ . 1]" 1 516 2 33 ARG HA 2 33 ARG QD . . 3.160 2.442 2.346 2.503 . 0 0 "[ . 1]" 1 517 2 33 ARG HA 2 37 GLY H . . 4.970 3.952 3.103 4.709 . 0 0 "[ . 1]" 1 518 2 33 ARG HB2 2 34 ALA H . . 3.690 3.103 3.046 3.185 . 0 0 "[ . 1]" 1 519 2 33 ARG HB3 2 34 ALA H . . 3.860 3.231 3.179 3.299 . 0 0 "[ . 1]" 1 520 2 34 ALA H 2 34 ALA MB . . 2.570 2.058 2.031 2.096 . 0 0 "[ . 1]" 1 521 2 34 ALA HA 2 34 ALA MB . . 2.400 2.089 2.083 2.097 . 0 0 "[ . 1]" 1 522 2 34 ALA HA 2 35 ASN H . . 3.510 3.514 3.500 3.524 0.014 1 0 "[ . 1]" 1 523 2 34 ALA HA 2 36 GLY H . . 4.090 3.988 3.839 4.082 . 0 0 "[ . 1]" 1 524 2 34 ALA MB 2 35 ASN H . . 2.970 2.794 2.737 2.850 . 0 0 "[ . 1]" 1 525 2 34 ALA MB 2 37 GLY H . . 5.500 5.031 4.530 5.467 . 0 0 "[ . 1]" 1 526 2 35 ASN H 2 35 ASN HB2 . . 3.340 2.181 2.119 2.292 . 0 0 "[ . 1]" 1 527 2 35 ASN H 2 35 ASN HB3 . . 3.610 3.012 2.800 3.467 . 0 0 "[ . 1]" 1 528 2 35 ASN HA 2 36 GLY H . . 3.610 3.494 3.467 3.517 . 0 0 "[ . 1]" 1 529 2 35 ASN HB2 2 36 GLY H . . 4.950 3.628 3.164 3.844 . 0 0 "[ . 1]" 1 530 2 36 GLY QA 2 37 GLY H . . 3.710 2.566 2.389 2.746 . 0 0 "[ . 1]" 1 stop_ save_
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