NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
417146 | 2dmb | 10325 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dmb 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 1748 _Distance_constraint_stats_list.Viol_count 364 _Distance_constraint_stats_list.Viol_total 94.047 _Distance_constraint_stats_list.Viol_max 0.118 _Distance_constraint_stats_list.Viol_rms 0.0025 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0129 _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 8 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 GLY 0.015 0.015 8 0 "[ . 1 . 2]" 1 10 ASP 0.048 0.017 5 0 "[ . 1 . 2]" 1 11 ALA 0.000 0.000 2 0 "[ . 1 . 2]" 1 12 SER 0.028 0.015 13 0 "[ . 1 . 2]" 1 13 LYS 0.036 0.009 5 0 "[ . 1 . 2]" 1 14 CYS 0.048 0.008 18 0 "[ . 1 . 2]" 1 15 LEU 0.381 0.033 10 0 "[ . 1 . 2]" 1 16 ALA 0.241 0.030 18 0 "[ . 1 . 2]" 1 17 THR 0.009 0.006 5 0 "[ . 1 . 2]" 1 18 GLY 0.006 0.006 5 0 "[ . 1 . 2]" 1 19 PRO 0.006 0.006 8 0 "[ . 1 . 2]" 1 20 GLY 0.006 0.006 8 0 "[ . 1 . 2]" 1 21 ILE 0.004 0.004 9 0 "[ . 1 . 2]" 1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 SER 0.006 0.002 18 0 "[ . 1 . 2]" 1 24 THR 0.005 0.001 7 0 "[ . 1 . 2]" 1 25 VAL 0.002 0.001 11 0 "[ . 1 . 2]" 1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 THR 0.005 0.004 5 0 "[ . 1 . 2]" 1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 GLU 0.003 0.002 6 0 "[ . 1 . 2]" 1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 VAL 0.086 0.078 9 0 "[ . 1 . 2]" 1 32 GLY 0.005 0.002 9 0 "[ . 1 . 2]" 1 33 PHE 0.005 0.004 9 0 "[ . 1 . 2]" 1 34 VAL 0.002 0.002 17 0 "[ . 1 . 2]" 1 35 VAL 0.004 0.002 17 0 "[ . 1 . 2]" 1 36 ASP 0.097 0.023 17 0 "[ . 1 . 2]" 1 37 ALA 0.002 0.002 17 0 "[ . 1 . 2]" 1 38 LYS 0.285 0.118 20 0 "[ . 1 . 2]" 1 39 THR 0.004 0.003 17 0 "[ . 1 . 2]" 1 40 ALA 0.038 0.017 5 0 "[ . 1 . 2]" 1 41 GLY 0.011 0.008 2 0 "[ . 1 . 2]" 1 42 LYS 0.066 0.014 9 0 "[ . 1 . 2]" 1 43 GLY 0.063 0.038 13 0 "[ . 1 . 2]" 1 44 LYS 0.178 0.047 11 0 "[ . 1 . 2]" 1 45 VAL 0.022 0.007 15 0 "[ . 1 . 2]" 1 46 THR 0.021 0.012 15 0 "[ . 1 . 2]" 1 47 CYS 0.003 0.003 15 0 "[ . 1 . 2]" 1 48 THR 0.001 0.001 19 0 "[ . 1 . 2]" 1 49 VAL 0.013 0.004 15 0 "[ . 1 . 2]" 1 50 LEU 0.035 0.006 13 0 "[ . 1 . 2]" 1 51 THR 0.008 0.006 13 0 "[ . 1 . 2]" 1 52 PRO 0.001 0.001 7 0 "[ . 1 . 2]" 1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 GLY 0.002 0.001 8 0 "[ . 1 . 2]" 1 55 THR 0.235 0.071 3 0 "[ . 1 . 2]" 1 56 GLU 0.312 0.084 15 0 "[ . 1 . 2]" 1 57 ALA 0.018 0.006 15 0 "[ . 1 . 2]" 1 58 GLU 0.017 0.008 14 0 "[ . 1 . 2]" 1 59 ALA 0.022 0.012 8 0 "[ . 1 . 2]" 1 60 ASP 0.031 0.012 8 0 "[ . 1 . 2]" 1 61 VAL 0.015 0.006 17 0 "[ . 1 . 2]" 1 62 ILE 0.059 0.044 17 0 "[ . 1 . 2]" 1 63 GLU 1.746 0.097 1 0 "[ . 1 . 2]" 1 64 ASN 1.963 0.097 1 0 "[ . 1 . 2]" 1 65 GLU 0.012 0.012 10 0 "[ . 1 . 2]" 1 66 ASP 0.012 0.012 10 0 "[ . 1 . 2]" 1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 THR 0.002 0.001 19 0 "[ . 1 . 2]" 1 69 TYR 0.005 0.003 18 0 "[ . 1 . 2]" 1 70 ASP 0.056 0.044 17 0 "[ . 1 . 2]" 1 71 ILE 0.004 0.002 9 0 "[ . 1 . 2]" 1 72 PHE 0.008 0.003 1 0 "[ . 1 . 2]" 1 73 TYR 0.001 0.001 9 0 "[ . 1 . 2]" 1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 ALA 0.022 0.010 15 0 "[ . 1 . 2]" 1 76 ALA 0.001 0.001 15 0 "[ . 1 . 2]" 1 77 LYS 0.159 0.035 19 0 "[ . 1 . 2]" 1 78 PRO 0.076 0.035 19 0 "[ . 1 . 2]" 1 79 GLY 0.002 0.002 19 0 "[ . 1 . 2]" 1 80 THR 0.002 0.001 7 0 "[ . 1 . 2]" 1 81 TYR 0.006 0.004 18 0 "[ . 1 . 2]" 1 82 VAL 0.011 0.003 18 0 "[ . 1 . 2]" 1 83 ILE 0.026 0.007 11 0 "[ . 1 . 2]" 1 84 TYR 0.001 0.001 13 0 "[ . 1 . 2]" 1 85 VAL 0.001 0.001 2 0 "[ . 1 . 2]" 1 86 ARG 0.037 0.007 15 0 "[ . 1 . 2]" 1 87 PHE 0.007 0.002 8 0 "[ . 1 . 2]" 1 88 GLY 0.003 0.001 15 0 "[ . 1 . 2]" 1 89 GLY 0.008 0.005 11 0 "[ . 1 . 2]" 1 90 VAL 0.045 0.012 15 0 "[ . 1 . 2]" 1 91 ASP 0.317 0.034 12 0 "[ . 1 . 2]" 1 92 ILE 0.302 0.038 8 0 "[ . 1 . 2]" 1 93 PRO 0.036 0.015 13 0 "[ . 1 . 2]" 1 94 ASN 0.024 0.007 3 0 "[ . 1 . 2]" 1 95 SER 0.545 0.038 8 0 "[ . 1 . 2]" 1 96 PRO 0.001 0.001 13 0 "[ . 1 . 2]" 1 97 PHE 0.041 0.017 8 0 "[ . 1 . 2]" 1 98 THR 0.040 0.011 8 0 "[ . 1 . 2]" 1 99 VAL 0.009 0.005 14 0 "[ . 1 . 2]" 1 100 MET 0.004 0.002 19 0 "[ . 1 . 2]" 1 101 ALA 0.001 0.001 7 0 "[ . 1 . 2]" 1 102 THR 0.006 0.004 5 0 "[ . 1 . 2]" 1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 GLU 0.003 0.003 10 0 "[ . 1 . 2]" 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 8 THR H 1 9 GLY H . . 4.530 3.629 1.959 4.438 . 0 0 "[ . 1 . 2]" 1 2 1 8 THR HB 1 9 GLY H . . 4.150 3.324 2.348 4.079 . 0 0 "[ . 1 . 2]" 1 3 1 8 THR MG 1 9 GLY H . . 4.530 3.691 2.295 4.214 . 0 0 "[ . 1 . 2]" 1 4 1 9 GLY H 1 10 ASP H . . 4.440 4.180 3.489 4.455 0.015 8 0 "[ . 1 . 2]" 1 5 1 9 GLY H 1 87 PHE QE . . 5.200 4.403 2.631 5.168 . 0 0 "[ . 1 . 2]" 1 6 1 9 GLY QA 1 10 ASP H . . 2.990 2.184 2.111 2.282 . 0 0 "[ . 1 . 2]" 1 7 1 9 GLY QA 1 41 GLY QA . . 4.120 2.842 2.027 3.357 . 0 0 "[ . 1 . 2]" 1 8 1 9 GLY QA 1 87 PHE QE . . 3.990 2.445 1.986 2.920 . 0 0 "[ . 1 . 2]" 1 9 1 9 GLY HA2 1 10 ASP H . . 3.460 2.577 2.141 3.351 . 0 0 "[ . 1 . 2]" 1 10 1 9 GLY HA2 1 42 LYS H . . 3.800 3.630 3.090 3.798 . 0 0 "[ . 1 . 2]" 1 11 1 9 GLY HA3 1 10 ASP H . . 3.460 2.669 2.152 3.370 . 0 0 "[ . 1 . 2]" 1 12 1 9 GLY HA3 1 42 LYS H . . 3.800 3.274 2.611 3.795 . 0 0 "[ . 1 . 2]" 1 13 1 10 ASP H 1 10 ASP HB2 . . 3.900 2.787 2.288 3.774 . 0 0 "[ . 1 . 2]" 1 14 1 10 ASP H 1 10 ASP QB . . 3.400 2.633 2.262 3.069 . 0 0 "[ . 1 . 2]" 1 15 1 10 ASP H 1 10 ASP HB3 . . 3.900 3.539 2.819 3.902 0.002 16 0 "[ . 1 . 2]" 1 16 1 10 ASP H 1 40 ALA HA . . 4.320 3.172 2.756 3.558 . 0 0 "[ . 1 . 2]" 1 17 1 10 ASP H 1 40 ALA MB . . 4.020 3.559 3.085 4.021 0.001 8 0 "[ . 1 . 2]" 1 18 1 10 ASP H 1 42 LYS H . . 5.350 4.924 4.377 5.294 . 0 0 "[ . 1 . 2]" 1 19 1 10 ASP H 1 87 PHE QE . . 3.890 2.767 2.068 3.852 . 0 0 "[ . 1 . 2]" 1 20 1 10 ASP HA 1 11 ALA H . . 2.930 2.284 2.171 2.450 . 0 0 "[ . 1 . 2]" 1 21 1 10 ASP HA 1 11 ALA HA . . 4.420 4.369 4.347 4.400 . 0 0 "[ . 1 . 2]" 1 22 1 10 ASP HA 1 11 ALA MB . . 4.140 3.888 3.825 3.956 . 0 0 "[ . 1 . 2]" 1 23 1 10 ASP HA 1 12 SER H . . 4.390 4.288 4.008 4.392 0.002 13 0 "[ . 1 . 2]" 1 24 1 10 ASP QB 1 12 SER H . . 4.630 3.546 3.099 4.185 . 0 0 "[ . 1 . 2]" 1 25 1 10 ASP QB 1 13 LYS H . . 4.100 2.919 2.733 3.441 . 0 0 "[ . 1 . 2]" 1 26 1 10 ASP QB 1 13 LYS HB2 . . 4.820 2.990 2.459 4.494 . 0 0 "[ . 1 . 2]" 1 27 1 10 ASP QB 1 13 LYS HG2 . . 4.210 2.355 1.973 3.377 . 0 0 "[ . 1 . 2]" 1 28 1 10 ASP QB 1 40 ALA HA . . 4.200 2.779 2.061 4.184 . 0 0 "[ . 1 . 2]" 1 29 1 10 ASP HB2 1 11 ALA H . . 4.340 3.821 2.393 4.160 . 0 0 "[ . 1 . 2]" 1 30 1 10 ASP HB2 1 12 SER H . . 5.360 4.777 3.153 5.322 . 0 0 "[ . 1 . 2]" 1 31 1 10 ASP HB2 1 13 LYS H . . 4.900 3.751 2.845 4.797 . 0 0 "[ . 1 . 2]" 1 32 1 10 ASP HB2 1 13 LYS HG2 . . 5.010 2.954 2.164 3.992 . 0 0 "[ . 1 . 2]" 1 33 1 10 ASP HB2 1 13 LYS HG3 . . 4.730 2.802 2.015 4.466 . 0 0 "[ . 1 . 2]" 1 34 1 10 ASP HB2 1 40 ALA HA . . 4.960 3.073 2.072 4.733 . 0 0 "[ . 1 . 2]" 1 35 1 10 ASP HB3 1 11 ALA H . . 4.340 3.057 2.682 3.762 . 0 0 "[ . 1 . 2]" 1 36 1 10 ASP HB3 1 12 SER H . . 5.360 3.798 3.154 4.901 . 0 0 "[ . 1 . 2]" 1 37 1 10 ASP HB3 1 13 LYS H . . 4.900 3.218 2.787 4.858 . 0 0 "[ . 1 . 2]" 1 38 1 10 ASP HB3 1 13 LYS HG2 . . 5.010 2.621 2.016 4.276 . 0 0 "[ . 1 . 2]" 1 39 1 10 ASP HB3 1 13 LYS HG3 . . 4.730 3.179 2.233 4.739 0.009 5 0 "[ . 1 . 2]" 1 40 1 10 ASP HB3 1 40 ALA HA . . 4.960 3.920 2.506 4.977 0.017 5 0 "[ . 1 . 2]" 1 41 1 11 ALA H 1 11 ALA MB . . 3.030 2.278 2.122 2.412 . 0 0 "[ . 1 . 2]" 1 42 1 11 ALA H 1 12 SER H . . 3.570 2.243 2.010 2.405 . 0 0 "[ . 1 . 2]" 1 43 1 11 ALA H 1 12 SER HA . . 5.020 4.879 4.674 5.014 . 0 0 "[ . 1 . 2]" 1 44 1 11 ALA H 1 13 LYS H . . 4.730 3.705 3.485 3.976 . 0 0 "[ . 1 . 2]" 1 45 1 11 ALA H 1 87 PHE QD . . 4.250 3.934 3.267 4.250 . 2 0 "[ . 1 . 2]" 1 46 1 11 ALA H 1 90 VAL HB . . 4.850 3.970 3.094 4.726 . 0 0 "[ . 1 . 2]" 1 47 1 11 ALA H 1 90 VAL MG1 . . 4.520 3.088 2.085 4.048 . 0 0 "[ . 1 . 2]" 1 48 1 11 ALA HA 1 13 LYS H . . 4.490 3.895 3.582 4.228 . 0 0 "[ . 1 . 2]" 1 49 1 11 ALA HA 1 14 CYS H . . 4.290 3.179 2.910 3.355 . 0 0 "[ . 1 . 2]" 1 50 1 11 ALA HA 1 40 ALA MB . . 4.460 3.579 3.140 4.006 . 0 0 "[ . 1 . 2]" 1 51 1 11 ALA HA 1 87 PHE H . . 4.990 4.794 4.292 4.976 . 0 0 "[ . 1 . 2]" 1 52 1 11 ALA HA 1 87 PHE HB2 . . 4.060 3.464 2.838 4.047 . 0 0 "[ . 1 . 2]" 1 53 1 11 ALA HA 1 87 PHE QB . . 3.460 2.455 2.018 2.790 . 0 0 "[ . 1 . 2]" 1 54 1 11 ALA HA 1 87 PHE HB3 . . 4.060 2.517 2.035 2.847 . 0 0 "[ . 1 . 2]" 1 55 1 11 ALA HA 1 87 PHE QD . . 3.660 2.863 2.305 3.463 . 0 0 "[ . 1 . 2]" 1 56 1 11 ALA HA 1 92 ILE MG . . 4.120 3.069 2.776 3.632 . 0 0 "[ . 1 . 2]" 1 57 1 11 ALA MB 1 12 SER H . . 3.720 2.545 2.298 2.755 . 0 0 "[ . 1 . 2]" 1 58 1 11 ALA MB 1 12 SER HA . . 4.300 3.688 3.616 3.841 . 0 0 "[ . 1 . 2]" 1 59 1 11 ALA MB 1 14 CYS H . . 4.650 4.305 4.164 4.482 . 0 0 "[ . 1 . 2]" 1 60 1 11 ALA MB 1 87 PHE H . . 3.870 2.969 2.575 3.198 . 0 0 "[ . 1 . 2]" 1 61 1 11 ALA MB 1 87 PHE HB2 . . 3.900 3.239 2.297 3.736 . 0 0 "[ . 1 . 2]" 1 62 1 11 ALA MB 1 87 PHE QB . . 3.300 2.066 1.809 2.455 . 0 0 "[ . 1 . 2]" 1 63 1 11 ALA MB 1 87 PHE HB3 . . 3.900 2.095 1.854 2.508 . 0 0 "[ . 1 . 2]" 1 64 1 11 ALA MB 1 87 PHE QD . . 3.890 3.044 2.151 3.615 . 0 0 "[ . 1 . 2]" 1 65 1 11 ALA MB 1 90 VAL HA . . 4.820 4.215 4.000 4.606 . 0 0 "[ . 1 . 2]" 1 66 1 11 ALA MB 1 90 VAL HB . . 3.320 2.047 1.915 2.500 . 0 0 "[ . 1 . 2]" 1 67 1 11 ALA MB 1 90 VAL MG1 . . 3.190 1.956 1.790 2.336 . 0 0 "[ . 1 . 2]" 1 68 1 11 ALA MB 1 90 VAL MG2 . . 3.760 3.231 2.763 3.556 . 0 0 "[ . 1 . 2]" 1 69 1 11 ALA MB 1 92 ILE H . . 3.750 3.286 2.837 3.648 . 0 0 "[ . 1 . 2]" 1 70 1 11 ALA MB 1 92 ILE HA . . 3.650 2.327 1.974 2.885 . 0 0 "[ . 1 . 2]" 1 71 1 11 ALA MB 1 92 ILE MG . . 3.450 1.966 1.761 2.268 . 0 0 "[ . 1 . 2]" 1 72 1 12 SER H 1 12 SER HB2 . . 3.620 3.069 2.229 3.603 . 0 0 "[ . 1 . 2]" 1 73 1 12 SER H 1 12 SER QB . . 3.130 2.436 2.166 2.824 . 0 0 "[ . 1 . 2]" 1 74 1 12 SER H 1 12 SER HB3 . . 3.620 2.819 2.423 3.599 . 0 0 "[ . 1 . 2]" 1 75 1 12 SER H 1 13 LYS H . . 3.350 2.797 2.626 2.940 . 0 0 "[ . 1 . 2]" 1 76 1 12 SER H 1 13 LYS HB2 . . 5.420 5.142 4.978 5.321 . 0 0 "[ . 1 . 2]" 1 77 1 12 SER H 1 13 LYS HG2 . . 4.660 4.215 3.788 4.477 . 0 0 "[ . 1 . 2]" 1 78 1 12 SER H 1 14 CYS H . . 4.590 4.285 4.036 4.505 . 0 0 "[ . 1 . 2]" 1 79 1 12 SER HA 1 14 CYS H . . 4.660 4.306 4.125 4.508 . 0 0 "[ . 1 . 2]" 1 80 1 12 SER HA 1 92 ILE HA . . 4.490 3.768 3.490 4.477 . 0 0 "[ . 1 . 2]" 1 81 1 12 SER HA 1 93 PRO HD3 . . 4.150 2.417 2.035 3.044 . 0 0 "[ . 1 . 2]" 1 82 1 12 SER HA 1 93 PRO HG2 . . 3.760 3.333 3.084 3.728 . 0 0 "[ . 1 . 2]" 1 83 1 12 SER HA 1 93 PRO HG3 . . 3.760 2.639 2.373 2.943 . 0 0 "[ . 1 . 2]" 1 84 1 12 SER QB 1 13 LYS H . . 3.930 3.159 2.531 3.713 . 0 0 "[ . 1 . 2]" 1 85 1 12 SER QB 1 13 LYS HA . . 5.100 4.197 3.812 4.518 . 0 0 "[ . 1 . 2]" 1 86 1 12 SER QB 1 13 LYS QD . . 5.340 4.137 3.002 4.893 . 0 0 "[ . 1 . 2]" 1 87 1 12 SER QB 1 93 PRO QG . . 3.880 2.743 2.314 3.222 . 0 0 "[ . 1 . 2]" 1 88 1 12 SER HB2 1 93 PRO HG2 . . 5.500 4.758 4.117 5.515 0.015 13 0 "[ . 1 . 2]" 1 89 1 12 SER HB2 1 93 PRO HG3 . . 5.500 3.303 2.581 4.167 . 0 0 "[ . 1 . 2]" 1 90 1 12 SER HB3 1 93 PRO HG2 . . 5.500 4.805 3.925 5.505 0.005 8 0 "[ . 1 . 2]" 1 91 1 12 SER HB3 1 93 PRO HG3 . . 5.500 3.317 2.348 4.317 . 0 0 "[ . 1 . 2]" 1 92 1 13 LYS H 1 13 LYS HB2 . . 3.110 2.572 2.477 2.678 . 0 0 "[ . 1 . 2]" 1 93 1 13 LYS H 1 13 LYS HB3 . . 3.640 3.605 3.582 3.647 0.007 6 0 "[ . 1 . 2]" 1 94 1 13 LYS H 1 13 LYS QD . . 4.130 3.514 2.852 4.035 . 0 0 "[ . 1 . 2]" 1 95 1 13 LYS H 1 13 LYS QE . . 4.960 4.329 2.647 4.726 . 0 0 "[ . 1 . 2]" 1 96 1 13 LYS H 1 13 LYS HG2 . . 3.460 2.115 1.913 2.429 . 0 0 "[ . 1 . 2]" 1 97 1 13 LYS H 1 13 LYS HG3 . . 4.250 3.511 3.305 3.712 . 0 0 "[ . 1 . 2]" 1 98 1 13 LYS H 1 14 CYS QB . . 5.340 4.301 3.980 4.678 . 0 0 "[ . 1 . 2]" 1 99 1 13 LYS H 1 40 ALA HA . . 4.610 4.217 4.015 4.507 . 0 0 "[ . 1 . 2]" 1 100 1 13 LYS H 1 40 ALA MB . . 4.240 3.950 2.908 4.240 . 0 0 "[ . 1 . 2]" 1 101 1 13 LYS HA 1 13 LYS QD . . 3.430 2.191 2.005 2.819 . 0 0 "[ . 1 . 2]" 1 102 1 13 LYS HA 1 13 LYS QE . . 4.530 3.701 1.974 4.314 . 0 0 "[ . 1 . 2]" 1 103 1 13 LYS HA 1 13 LYS HG2 . . 3.600 3.063 2.883 3.308 . 0 0 "[ . 1 . 2]" 1 104 1 13 LYS HA 1 13 LYS HG3 . . 3.910 3.817 3.754 3.876 . 0 0 "[ . 1 . 2]" 1 105 1 13 LYS HA 1 40 ALA H . . 5.500 5.431 5.175 5.507 0.007 5 0 "[ . 1 . 2]" 1 106 1 13 LYS HA 1 40 ALA HA . . 5.500 5.105 4.895 5.456 . 0 0 "[ . 1 . 2]" 1 107 1 13 LYS HB2 1 14 CYS H . . 3.910 2.723 2.508 2.870 . 0 0 "[ . 1 . 2]" 1 108 1 13 LYS HB2 1 40 ALA H . . 4.390 3.314 3.071 3.647 . 0 0 "[ . 1 . 2]" 1 109 1 13 LYS HB2 1 40 ALA HA . . 3.350 2.128 2.004 2.468 . 0 0 "[ . 1 . 2]" 1 110 1 13 LYS HB2 1 40 ALA MB . . 4.280 2.507 1.904 2.855 . 0 0 "[ . 1 . 2]" 1 111 1 13 LYS HB3 1 13 LYS QE . . 4.740 3.367 2.170 4.133 . 0 0 "[ . 1 . 2]" 1 112 1 13 LYS HB3 1 14 CYS H . . 4.410 3.837 3.583 3.993 . 0 0 "[ . 1 . 2]" 1 113 1 13 LYS HB3 1 40 ALA H . . 4.740 3.274 2.944 3.535 . 0 0 "[ . 1 . 2]" 1 114 1 13 LYS HB3 1 40 ALA HA . . 3.760 3.284 2.836 3.548 . 0 0 "[ . 1 . 2]" 1 115 1 13 LYS HB3 1 40 ALA MB . . 4.100 3.531 3.032 3.999 . 0 0 "[ . 1 . 2]" 1 116 1 13 LYS QD 1 40 ALA HA . . 5.060 4.631 4.292 5.021 . 0 0 "[ . 1 . 2]" 1 117 1 13 LYS QE 1 13 LYS HG2 . . 3.790 2.741 2.060 3.404 . 0 0 "[ . 1 . 2]" 1 118 1 13 LYS QE 1 13 LYS HG3 . . 3.800 2.459 2.087 3.444 . 0 0 "[ . 1 . 2]" 1 119 1 13 LYS HG2 1 14 CYS H . . 4.260 4.159 3.960 4.266 0.006 5 0 "[ . 1 . 2]" 1 120 1 13 LYS HG2 1 40 ALA HA . . 4.430 3.861 3.401 4.418 . 0 0 "[ . 1 . 2]" 1 121 1 13 LYS HG3 1 40 ALA HA . . 4.390 3.018 2.670 3.424 . 0 0 "[ . 1 . 2]" 1 122 1 14 CYS H 1 14 CYS HB2 . . 3.740 2.293 2.176 2.617 . 0 0 "[ . 1 . 2]" 1 123 1 14 CYS H 1 14 CYS QB . . 3.050 2.237 2.124 2.557 . 0 0 "[ . 1 . 2]" 1 124 1 14 CYS H 1 14 CYS HB3 . . 3.740 3.186 2.735 3.597 . 0 0 "[ . 1 . 2]" 1 125 1 14 CYS H 1 15 LEU H . . 4.690 4.622 4.542 4.647 . 0 0 "[ . 1 . 2]" 1 126 1 14 CYS H 1 15 LEU QD . . 4.520 4.339 3.861 4.528 0.008 18 0 "[ . 1 . 2]" 1 127 1 14 CYS H 1 40 ALA HA . . 4.820 4.076 3.680 4.506 . 0 0 "[ . 1 . 2]" 1 128 1 14 CYS H 1 40 ALA MB . . 4.220 2.686 2.068 2.943 . 0 0 "[ . 1 . 2]" 1 129 1 14 CYS H 1 92 ILE MG . . 4.580 3.864 3.574 4.199 . 0 0 "[ . 1 . 2]" 1 130 1 14 CYS HA 1 15 LEU H . . 2.780 2.277 2.151 2.474 . 0 0 "[ . 1 . 2]" 1 131 1 14 CYS HA 1 15 LEU QD . . 4.410 3.435 2.955 4.134 . 0 0 "[ . 1 . 2]" 1 132 1 14 CYS HA 1 40 ALA MB . . 3.700 2.753 2.283 3.007 . 0 0 "[ . 1 . 2]" 1 133 1 14 CYS QB 1 15 LEU H . . 3.650 3.115 2.492 3.498 . 0 0 "[ . 1 . 2]" 1 134 1 14 CYS QB 1 15 LEU QD . . 4.760 4.271 3.997 4.513 . 0 0 "[ . 1 . 2]" 1 135 1 14 CYS QB 1 35 VAL MG1 . . 3.680 3.083 2.471 3.528 . 0 0 "[ . 1 . 2]" 1 136 1 14 CYS QB 1 92 ILE MD . . 4.550 3.896 3.228 4.227 . 0 0 "[ . 1 . 2]" 1 137 1 14 CYS QB 1 92 ILE MG . . 3.210 2.547 2.122 2.745 . 0 0 "[ . 1 . 2]" 1 138 1 14 CYS HB2 1 15 LEU H . . 4.230 4.104 3.824 4.235 0.005 8 0 "[ . 1 . 2]" 1 139 1 14 CYS HB2 1 35 VAL MG1 . . 4.350 4.152 3.861 4.348 . 0 0 "[ . 1 . 2]" 1 140 1 14 CYS HB2 1 92 ILE MG . . 3.700 3.140 2.146 3.701 0.001 9 0 "[ . 1 . 2]" 1 141 1 14 CYS HB3 1 15 LEU H . . 4.230 3.247 2.526 3.729 . 0 0 "[ . 1 . 2]" 1 142 1 14 CYS HB3 1 35 VAL MG1 . . 4.350 3.214 2.501 3.779 . 0 0 "[ . 1 . 2]" 1 143 1 14 CYS HB3 1 92 ILE MG . . 3.700 2.990 2.609 3.519 . 0 0 "[ . 1 . 2]" 1 144 1 15 LEU H 1 15 LEU HB2 . . 3.740 2.547 2.358 2.684 . 0 0 "[ . 1 . 2]" 1 145 1 15 LEU H 1 15 LEU QB . . 3.280 2.502 2.326 2.630 . 0 0 "[ . 1 . 2]" 1 146 1 15 LEU H 1 15 LEU HB3 . . 3.740 3.668 3.542 3.773 0.033 10 0 "[ . 1 . 2]" 1 147 1 15 LEU H 1 15 LEU QD . . 4.160 3.062 2.544 3.478 . 0 0 "[ . 1 . 2]" 1 148 1 15 LEU H 1 15 LEU HG . . 4.610 3.878 2.751 4.580 . 0 0 "[ . 1 . 2]" 1 149 1 15 LEU H 1 16 ALA H . . 4.460 4.443 4.386 4.490 0.030 10 0 "[ . 1 . 2]" 1 150 1 15 LEU H 1 35 VAL MG1 . . 4.160 3.115 2.661 3.426 . 0 0 "[ . 1 . 2]" 1 151 1 15 LEU H 1 36 ASP H . . 3.770 3.621 3.160 3.768 . 0 0 "[ . 1 . 2]" 1 152 1 15 LEU H 1 36 ASP HB2 . . 5.480 5.205 4.785 5.478 . 0 0 "[ . 1 . 2]" 1 153 1 15 LEU H 1 36 ASP HB3 . . 4.430 4.055 3.587 4.392 . 0 0 "[ . 1 . 2]" 1 154 1 15 LEU HA 1 15 LEU MD1 . . 4.620 3.040 1.971 3.892 . 0 0 "[ . 1 . 2]" 1 155 1 15 LEU HA 1 15 LEU QD . . 3.700 2.344 1.940 2.906 . 0 0 "[ . 1 . 2]" 1 156 1 15 LEU HA 1 15 LEU MD2 . . 4.620 2.762 2.018 3.597 . 0 0 "[ . 1 . 2]" 1 157 1 15 LEU HA 1 15 LEU HG . . 4.190 3.027 2.242 3.685 . 0 0 "[ . 1 . 2]" 1 158 1 15 LEU HA 1 16 ALA H . . 2.820 2.270 2.154 2.362 . 0 0 "[ . 1 . 2]" 1 159 1 15 LEU HA 1 16 ALA MB . . 4.130 3.854 3.773 3.944 . 0 0 "[ . 1 . 2]" 1 160 1 15 LEU QB 1 15 LEU QD . . 2.850 1.927 1.828 2.053 . 0 0 "[ . 1 . 2]" 1 161 1 15 LEU QB 1 16 ALA H . . 3.680 2.786 2.560 3.225 . 0 0 "[ . 1 . 2]" 1 162 1 15 LEU QB 1 36 ASP HB2 . . 4.480 3.950 3.675 4.444 . 0 0 "[ . 1 . 2]" 1 163 1 15 LEU HB2 1 16 ALA H . . 4.400 4.019 3.695 4.357 . 0 0 "[ . 1 . 2]" 1 164 1 15 LEU HB2 1 36 ASP H . . 4.840 3.767 3.350 4.328 . 0 0 "[ . 1 . 2]" 1 165 1 15 LEU HB2 1 36 ASP HB3 . . 4.510 2.897 2.610 3.476 . 0 0 "[ . 1 . 2]" 1 166 1 15 LEU HB3 1 16 ALA H . . 4.400 2.844 2.593 3.323 . 0 0 "[ . 1 . 2]" 1 167 1 15 LEU HB3 1 36 ASP H . . 4.840 4.280 3.761 4.818 . 0 0 "[ . 1 . 2]" 1 168 1 15 LEU HB3 1 36 ASP HB3 . . 4.510 3.923 3.192 4.512 0.002 18 0 "[ . 1 . 2]" 1 169 1 15 LEU QD 1 16 ALA H . . 3.550 3.238 2.640 3.554 0.004 11 0 "[ . 1 . 2]" 1 170 1 15 LEU HG 1 16 ALA H . . 5.070 4.531 3.522 5.100 0.030 18 0 "[ . 1 . 2]" 1 171 1 16 ALA H 1 16 ALA MB . . 3.260 2.441 2.314 2.561 . 0 0 "[ . 1 . 2]" 1 172 1 16 ALA H 1 17 THR H . . 4.750 4.170 4.056 4.302 . 0 0 "[ . 1 . 2]" 1 173 1 16 ALA H 1 92 ILE MD . . 4.930 4.868 4.599 4.937 0.007 8 0 "[ . 1 . 2]" 1 174 1 16 ALA HA 1 17 THR H . . 2.870 2.147 2.141 2.152 . 0 0 "[ . 1 . 2]" 1 175 1 16 ALA HA 1 34 VAL H . . 5.500 5.151 4.794 5.444 . 0 0 "[ . 1 . 2]" 1 176 1 16 ALA HA 1 35 VAL HA . . 3.460 2.399 2.027 2.581 . 0 0 "[ . 1 . 2]" 1 177 1 16 ALA HA 1 35 VAL MG2 . . 3.970 2.986 2.423 3.337 . 0 0 "[ . 1 . 2]" 1 178 1 16 ALA HA 1 36 ASP H . . 4.000 3.250 2.881 3.410 . 0 0 "[ . 1 . 2]" 1 179 1 16 ALA MB 1 17 THR H . . 3.570 3.342 3.262 3.389 . 0 0 "[ . 1 . 2]" 1 180 1 16 ALA MB 1 21 ILE MD . . 2.980 2.019 1.880 2.250 . 0 0 "[ . 1 . 2]" 1 181 1 16 ALA MB 1 35 VAL HA . . 3.830 3.574 3.064 3.793 . 0 0 "[ . 1 . 2]" 1 182 1 16 ALA MB 1 35 VAL MG2 . . 3.090 2.639 1.988 2.901 . 0 0 "[ . 1 . 2]" 1 183 1 16 ALA MB 1 36 ASP H . . 4.980 4.616 4.268 4.764 . 0 0 "[ . 1 . 2]" 1 184 1 16 ALA MB 1 92 ILE MD . . 3.310 3.158 2.873 3.311 0.001 18 0 "[ . 1 . 2]" 1 185 1 16 ALA MB 1 97 PHE HZ . . 3.650 2.803 2.357 3.410 . 0 0 "[ . 1 . 2]" 1 186 1 17 THR H 1 17 THR HB . . 4.070 3.772 3.740 3.833 . 0 0 "[ . 1 . 2]" 1 187 1 17 THR H 1 17 THR MG . . 4.060 3.010 2.904 3.149 . 0 0 "[ . 1 . 2]" 1 188 1 17 THR H 1 18 GLY H . . 4.670 4.360 4.235 4.502 . 0 0 "[ . 1 . 2]" 1 189 1 17 THR H 1 18 GLY HA3 . . 5.110 4.877 4.821 4.950 . 0 0 "[ . 1 . 2]" 1 190 1 17 THR H 1 21 ILE MD . . 4.220 3.345 2.932 3.972 . 0 0 "[ . 1 . 2]" 1 191 1 17 THR H 1 33 PHE HB2 . . 4.670 4.313 3.957 4.582 . 0 0 "[ . 1 . 2]" 1 192 1 17 THR H 1 34 VAL H . . 4.110 3.763 3.486 3.912 . 0 0 "[ . 1 . 2]" 1 193 1 17 THR H 1 34 VAL MG1 . . 4.380 3.763 3.294 4.033 . 0 0 "[ . 1 . 2]" 1 194 1 17 THR H 1 35 VAL HA . . 3.890 3.200 2.818 3.457 . 0 0 "[ . 1 . 2]" 1 195 1 17 THR H 1 35 VAL MG2 . . 4.870 4.224 3.889 4.523 . 0 0 "[ . 1 . 2]" 1 196 1 17 THR H 1 36 ASP H . . 4.540 3.711 3.426 4.149 . 0 0 "[ . 1 . 2]" 1 197 1 17 THR H 1 36 ASP HB3 . . 5.500 5.412 5.147 5.502 0.002 11 0 "[ . 1 . 2]" 1 198 1 17 THR HA 1 17 THR MG . . 3.440 2.245 2.134 2.378 . 0 0 "[ . 1 . 2]" 1 199 1 17 THR HA 1 18 GLY H . . 2.930 2.184 2.145 2.348 . 0 0 "[ . 1 . 2]" 1 200 1 17 THR HB 1 18 GLY H . . 3.470 3.161 2.533 3.455 . 0 0 "[ . 1 . 2]" 1 201 1 17 THR HB 1 18 GLY HA3 . . 5.170 4.871 4.533 5.016 . 0 0 "[ . 1 . 2]" 1 202 1 17 THR HB 1 21 ILE MD . . 4.840 4.423 4.062 4.837 . 0 0 "[ . 1 . 2]" 1 203 1 17 THR MG 1 18 GLY H . . 3.940 3.849 3.650 3.946 0.006 5 0 "[ . 1 . 2]" 1 204 1 17 THR MG 1 36 ASP HB3 . . 5.060 4.346 3.979 4.729 . 0 0 "[ . 1 . 2]" 1 205 1 18 GLY H 1 19 PRO QD . . 4.630 4.174 4.064 4.258 . 0 0 "[ . 1 . 2]" 1 206 1 18 GLY H 1 21 ILE MD . . 4.600 2.676 2.189 3.232 . 0 0 "[ . 1 . 2]" 1 207 1 18 GLY H 1 21 ILE QG . . 4.310 2.891 2.679 3.457 . 0 0 "[ . 1 . 2]" 1 208 1 18 GLY HA2 1 19 PRO QD . . 3.420 2.093 2.054 2.132 . 0 0 "[ . 1 . 2]" 1 209 1 18 GLY HA2 1 19 PRO HG2 . . 4.820 4.515 4.460 4.569 . 0 0 "[ . 1 . 2]" 1 210 1 18 GLY HA2 1 19 PRO HG3 . . 4.640 4.474 4.434 4.515 . 0 0 "[ . 1 . 2]" 1 211 1 18 GLY HA3 1 19 PRO HD2 . . 3.730 2.624 2.554 2.697 . 0 0 "[ . 1 . 2]" 1 212 1 18 GLY HA3 1 19 PRO QD . . 3.250 2.553 2.488 2.620 . 0 0 "[ . 1 . 2]" 1 213 1 18 GLY HA3 1 19 PRO HD3 . . 3.730 3.495 3.435 3.558 . 0 0 "[ . 1 . 2]" 1 214 1 18 GLY HA3 1 19 PRO HG2 . . 4.910 4.617 4.560 4.678 . 0 0 "[ . 1 . 2]" 1 215 1 18 GLY HA3 1 19 PRO HG3 . . 5.370 5.207 5.141 5.273 . 0 0 "[ . 1 . 2]" 1 216 1 18 GLY HA3 1 20 GLY H . . 4.260 3.266 3.137 3.572 . 0 0 "[ . 1 . 2]" 1 217 1 18 GLY HA3 1 21 ILE H . . 5.030 3.706 3.593 3.838 . 0 0 "[ . 1 . 2]" 1 218 1 18 GLY HA3 1 33 PHE HB2 . . 4.010 2.246 2.083 2.432 . 0 0 "[ . 1 . 2]" 1 219 1 18 GLY HA3 1 33 PHE HB3 . . 4.070 2.301 2.129 2.601 . 0 0 "[ . 1 . 2]" 1 220 1 18 GLY HA3 1 33 PHE QD . . 4.760 4.143 4.016 4.261 . 0 0 "[ . 1 . 2]" 1 221 1 19 PRO HA 1 21 ILE H . . 4.550 4.211 3.898 4.471 . 0 0 "[ . 1 . 2]" 1 222 1 19 PRO HA 1 22 ALA H . . 4.460 3.626 3.257 3.907 . 0 0 "[ . 1 . 2]" 1 223 1 19 PRO HA 1 22 ALA MB . . 3.140 2.538 2.256 2.729 . 0 0 "[ . 1 . 2]" 1 224 1 19 PRO HB2 1 20 GLY H . . 3.960 3.539 3.243 3.674 . 0 0 "[ . 1 . 2]" 1 225 1 19 PRO HB2 1 31 VAL MG1 . . 3.770 3.115 2.691 3.430 . 0 0 "[ . 1 . 2]" 1 226 1 19 PRO HB2 1 32 GLY H . . 4.580 4.190 3.858 4.516 . 0 0 "[ . 1 . 2]" 1 227 1 19 PRO HB3 1 20 GLY H . . 4.610 4.262 4.090 4.340 . 0 0 "[ . 1 . 2]" 1 228 1 19 PRO HB3 1 31 VAL MG1 . . 5.420 4.644 4.264 4.943 . 0 0 "[ . 1 . 2]" 1 229 1 19 PRO QD 1 20 GLY H . . 3.660 2.645 2.607 2.695 . 0 0 "[ . 1 . 2]" 1 230 1 19 PRO HG2 1 20 GLY H . . 4.890 2.644 2.258 2.840 . 0 0 "[ . 1 . 2]" 1 231 1 19 PRO HG2 1 20 GLY HA2 . . 4.290 4.249 4.164 4.296 0.006 8 0 "[ . 1 . 2]" 1 232 1 19 PRO HG3 1 20 GLY H . . 4.250 4.087 3.800 4.234 . 0 0 "[ . 1 . 2]" 1 233 1 19 PRO HG3 1 31 VAL MG1 . . 5.500 4.674 4.261 5.016 . 0 0 "[ . 1 . 2]" 1 234 1 19 PRO HG3 1 32 GLY H . . 4.390 3.683 3.107 4.044 . 0 0 "[ . 1 . 2]" 1 235 1 20 GLY H 1 21 ILE H . . 3.970 2.573 2.480 2.734 . 0 0 "[ . 1 . 2]" 1 236 1 20 GLY H 1 22 ALA H . . 4.800 3.950 3.739 4.167 . 0 0 "[ . 1 . 2]" 1 237 1 20 GLY H 1 31 VAL MG1 . . 4.010 3.822 2.785 4.006 . 0 0 "[ . 1 . 2]" 1 238 1 20 GLY H 1 31 VAL MG2 . . 5.010 3.827 3.391 5.006 . 0 0 "[ . 1 . 2]" 1 239 1 20 GLY H 1 32 GLY H . . 4.970 3.252 3.043 3.638 . 0 0 "[ . 1 . 2]" 1 240 1 20 GLY H 1 33 PHE H . . 4.890 4.178 3.932 4.660 . 0 0 "[ . 1 . 2]" 1 241 1 20 GLY H 1 33 PHE HA . . 4.880 3.864 3.684 4.063 . 0 0 "[ . 1 . 2]" 1 242 1 20 GLY H 1 33 PHE HB2 . . 4.210 4.172 4.117 4.210 . 0 0 "[ . 1 . 2]" 1 243 1 20 GLY H 1 33 PHE HB3 . . 3.880 2.573 2.486 2.641 . 0 0 "[ . 1 . 2]" 1 244 1 20 GLY HA2 1 22 ALA H . . 4.730 3.725 3.526 4.101 . 0 0 "[ . 1 . 2]" 1 245 1 20 GLY HA2 1 25 VAL MG1 . . 3.490 2.616 2.123 2.929 . 0 0 "[ . 1 . 2]" 1 246 1 20 GLY HA2 1 31 VAL HB . . 4.440 2.326 2.000 4.434 . 0 0 "[ . 1 . 2]" 1 247 1 20 GLY HA2 1 31 VAL MG1 . . 3.670 2.177 1.909 2.626 . 0 0 "[ . 1 . 2]" 1 248 1 20 GLY HA2 1 31 VAL MG2 . . 3.970 2.305 1.963 3.286 . 0 0 "[ . 1 . 2]" 1 249 1 20 GLY HA2 1 33 PHE QD . . 4.240 4.082 3.755 4.235 . 0 0 "[ . 1 . 2]" 1 250 1 20 GLY HA2 1 73 TYR QE . . 4.340 3.576 2.710 3.882 . 0 0 "[ . 1 . 2]" 1 251 1 20 GLY HA2 1 73 TYR HH . . 4.560 3.413 2.710 4.527 . 0 0 "[ . 1 . 2]" 1 252 1 20 GLY HA3 1 22 ALA H . . 4.920 4.282 4.102 4.490 . 0 0 "[ . 1 . 2]" 1 253 1 20 GLY HA3 1 25 VAL MG1 . . 4.370 4.074 3.676 4.317 . 0 0 "[ . 1 . 2]" 1 254 1 20 GLY HA3 1 31 VAL HB . . 4.580 2.522 2.283 4.121 . 0 0 "[ . 1 . 2]" 1 255 1 20 GLY HA3 1 31 VAL MG1 . . 3.870 3.346 1.857 3.620 . 0 0 "[ . 1 . 2]" 1 256 1 20 GLY HA3 1 31 VAL MG2 . . 4.090 2.189 1.971 3.967 . 0 0 "[ . 1 . 2]" 1 257 1 20 GLY HA3 1 33 PHE H . . 5.000 3.945 3.702 4.625 . 0 0 "[ . 1 . 2]" 1 258 1 20 GLY HA3 1 33 PHE QD . . 4.020 2.358 2.016 2.526 . 0 0 "[ . 1 . 2]" 1 259 1 20 GLY HA3 1 73 TYR QE . . 4.230 2.966 2.348 3.341 . 0 0 "[ . 1 . 2]" 1 260 1 20 GLY HA3 1 73 TYR HH . . 5.410 4.016 3.314 4.977 . 0 0 "[ . 1 . 2]" 1 261 1 21 ILE H 1 21 ILE MD . . 3.920 3.732 3.651 3.843 . 0 0 "[ . 1 . 2]" 1 262 1 21 ILE H 1 21 ILE HG12 . . 3.510 2.102 1.992 2.287 . 0 0 "[ . 1 . 2]" 1 263 1 21 ILE H 1 21 ILE QG . . 2.980 2.039 1.943 2.179 . 0 0 "[ . 1 . 2]" 1 264 1 21 ILE H 1 21 ILE HG13 . . 3.510 2.787 2.481 3.059 . 0 0 "[ . 1 . 2]" 1 265 1 21 ILE H 1 21 ILE MG . . 3.840 2.550 2.333 2.803 . 0 0 "[ . 1 . 2]" 1 266 1 21 ILE H 1 22 ALA H . . 2.920 2.527 2.241 2.811 . 0 0 "[ . 1 . 2]" 1 267 1 21 ILE H 1 22 ALA MB . . 4.300 4.071 3.831 4.259 . 0 0 "[ . 1 . 2]" 1 268 1 21 ILE H 1 33 PHE HB2 . . 4.480 3.806 3.423 4.067 . 0 0 "[ . 1 . 2]" 1 269 1 21 ILE H 1 33 PHE HB3 . . 4.230 2.731 2.478 3.053 . 0 0 "[ . 1 . 2]" 1 270 1 21 ILE HA 1 21 ILE MD . . 4.220 4.157 4.123 4.179 . 0 0 "[ . 1 . 2]" 1 271 1 21 ILE HA 1 21 ILE MG . . 3.150 2.294 2.158 2.420 . 0 0 "[ . 1 . 2]" 1 272 1 21 ILE HA 1 83 ILE MD . . 4.350 3.105 2.658 3.397 . 0 0 "[ . 1 . 2]" 1 273 1 21 ILE HA 1 99 VAL MG1 . . 4.140 3.874 3.629 4.093 . 0 0 "[ . 1 . 2]" 1 274 1 21 ILE HA 1 99 VAL MG2 . . 3.310 2.601 2.427 2.824 . 0 0 "[ . 1 . 2]" 1 275 1 21 ILE HB 1 21 ILE MD . . 3.280 2.311 2.170 2.435 . 0 0 "[ . 1 . 2]" 1 276 1 21 ILE HB 1 22 ALA H . . 4.470 4.304 3.983 4.445 . 0 0 "[ . 1 . 2]" 1 277 1 21 ILE HB 1 33 PHE HB3 . . 5.500 5.359 5.037 5.504 0.004 9 0 "[ . 1 . 2]" 1 278 1 21 ILE HB 1 97 PHE HB2 . . 5.500 5.063 4.841 5.406 . 0 0 "[ . 1 . 2]" 1 279 1 21 ILE HB 1 97 PHE HB3 . . 4.720 3.919 3.666 4.138 . 0 0 "[ . 1 . 2]" 1 280 1 21 ILE HB 1 97 PHE QD . . 3.910 2.344 2.016 3.060 . 0 0 "[ . 1 . 2]" 1 281 1 21 ILE HB 1 99 VAL MG2 . . 4.580 4.125 3.824 4.566 . 0 0 "[ . 1 . 2]" 1 282 1 21 ILE MD 1 21 ILE MG . . 3.220 2.156 1.953 2.397 . 0 0 "[ . 1 . 2]" 1 283 1 21 ILE MD 1 33 PHE HB2 . . 4.640 3.369 2.885 3.985 . 0 0 "[ . 1 . 2]" 1 284 1 21 ILE MD 1 33 PHE HB3 . . 4.590 4.138 3.862 4.570 . 0 0 "[ . 1 . 2]" 1 285 1 21 ILE MD 1 97 PHE QD . . 3.970 3.524 3.090 3.907 . 0 0 "[ . 1 . 2]" 1 286 1 21 ILE MD 1 97 PHE QE . . 4.010 2.680 2.215 3.311 . 0 0 "[ . 1 . 2]" 1 287 1 21 ILE QG 1 21 ILE MG . . 3.180 2.205 2.054 2.306 . 0 0 "[ . 1 . 2]" 1 288 1 21 ILE QG 1 33 PHE HB2 . . 4.360 2.944 2.382 3.225 . 0 0 "[ . 1 . 2]" 1 289 1 21 ILE QG 1 33 PHE HB3 . . 4.380 2.957 2.609 3.239 . 0 0 "[ . 1 . 2]" 1 290 1 21 ILE HG12 1 22 ALA H . . 4.070 3.865 3.300 4.069 . 0 0 "[ . 1 . 2]" 1 291 1 21 ILE HG12 1 33 PHE HB2 . . 5.050 2.975 2.397 3.265 . 0 0 "[ . 1 . 2]" 1 292 1 21 ILE HG12 1 33 PHE HB3 . . 5.010 2.993 2.635 3.294 . 0 0 "[ . 1 . 2]" 1 293 1 21 ILE HG13 1 22 ALA H . . 4.070 3.239 2.427 3.759 . 0 0 "[ . 1 . 2]" 1 294 1 21 ILE HG13 1 33 PHE HB2 . . 5.050 4.708 4.132 5.001 . 0 0 "[ . 1 . 2]" 1 295 1 21 ILE HG13 1 33 PHE HB3 . . 5.010 4.612 4.194 4.917 . 0 0 "[ . 1 . 2]" 1 296 1 21 ILE MG 1 22 ALA H . . 4.370 4.234 4.070 4.315 . 0 0 "[ . 1 . 2]" 1 297 1 21 ILE MG 1 33 PHE HB2 . . 4.850 2.821 2.552 3.205 . 0 0 "[ . 1 . 2]" 1 298 1 21 ILE MG 1 33 PHE HB3 . . 4.150 2.830 2.476 3.249 . 0 0 "[ . 1 . 2]" 1 299 1 21 ILE MG 1 33 PHE QD . . 4.110 2.717 2.367 2.998 . 0 0 "[ . 1 . 2]" 1 300 1 21 ILE MG 1 33 PHE QE . . 3.980 3.274 2.926 3.633 . 0 0 "[ . 1 . 2]" 1 301 1 21 ILE MG 1 33 PHE HZ . . 4.870 3.970 3.465 4.385 . 0 0 "[ . 1 . 2]" 1 302 1 21 ILE MG 1 83 ILE HB . . 4.410 4.168 3.811 4.410 0.000 17 0 "[ . 1 . 2]" 1 303 1 21 ILE MG 1 83 ILE MD . . 3.740 2.891 2.437 3.101 . 0 0 "[ . 1 . 2]" 1 304 1 21 ILE MG 1 97 PHE HB3 . . 4.490 3.890 3.538 4.170 . 0 0 "[ . 1 . 2]" 1 305 1 21 ILE MG 1 97 PHE QD . . 4.020 3.059 2.464 3.541 . 0 0 "[ . 1 . 2]" 1 306 1 21 ILE MG 1 97 PHE QE . . 5.060 3.392 2.944 4.015 . 0 0 "[ . 1 . 2]" 1 307 1 21 ILE MG 1 99 VAL MG2 . . 3.990 3.818 3.584 3.962 . 0 0 "[ . 1 . 2]" 1 308 1 22 ALA H 1 22 ALA MB . . 2.870 2.206 2.067 2.260 . 0 0 "[ . 1 . 2]" 1 309 1 22 ALA H 1 23 SER H . . 4.700 4.601 4.571 4.639 . 0 0 "[ . 1 . 2]" 1 310 1 22 ALA H 1 25 VAL MG1 . . 3.940 3.173 2.821 3.504 . 0 0 "[ . 1 . 2]" 1 311 1 22 ALA HA 1 23 SER H . . 2.870 2.207 2.172 2.287 . 0 0 "[ . 1 . 2]" 1 312 1 22 ALA HA 1 24 THR H . . 4.150 4.037 3.828 4.146 . 0 0 "[ . 1 . 2]" 1 313 1 22 ALA MB 1 23 SER H . . 3.020 2.883 2.699 3.019 . 0 0 "[ . 1 . 2]" 1 314 1 22 ALA MB 1 23 SER QB . . 4.660 4.095 3.855 4.638 . 0 0 "[ . 1 . 2]" 1 315 1 22 ALA MB 1 24 THR H . . 3.250 2.678 2.181 2.877 . 0 0 "[ . 1 . 2]" 1 316 1 22 ALA MB 1 25 VAL MG1 . . 3.980 2.286 1.988 2.882 . 0 0 "[ . 1 . 2]" 1 317 1 23 SER H 1 23 SER HB2 . . 3.610 2.709 2.262 3.612 0.002 13 0 "[ . 1 . 2]" 1 318 1 23 SER H 1 23 SER QB . . 3.160 2.383 2.238 2.642 . 0 0 "[ . 1 . 2]" 1 319 1 23 SER H 1 23 SER HB3 . . 3.610 3.082 2.408 3.612 0.002 18 0 "[ . 1 . 2]" 1 320 1 23 SER H 1 24 THR H . . 3.290 2.929 2.713 3.020 . 0 0 "[ . 1 . 2]" 1 321 1 23 SER HA 1 24 THR HA . . 4.940 4.536 4.507 4.552 . 0 0 "[ . 1 . 2]" 1 322 1 23 SER QB 1 24 THR H . . 3.720 2.851 2.558 3.637 . 0 0 "[ . 1 . 2]" 1 323 1 23 SER QB 1 24 THR MG . . 3.880 2.774 2.375 3.205 . 0 0 "[ . 1 . 2]" 1 324 1 23 SER HB2 1 24 THR H . . 4.270 3.357 2.605 4.179 . 0 0 "[ . 1 . 2]" 1 325 1 23 SER HB2 1 24 THR MG . . 4.410 3.485 2.746 4.223 . 0 0 "[ . 1 . 2]" 1 326 1 23 SER HB3 1 24 THR H . . 4.270 3.402 2.595 4.153 . 0 0 "[ . 1 . 2]" 1 327 1 23 SER HB3 1 24 THR MG . . 4.410 3.147 2.549 4.328 . 0 0 "[ . 1 . 2]" 1 328 1 24 THR H 1 24 THR HB . . 4.000 3.879 3.781 3.973 . 0 0 "[ . 1 . 2]" 1 329 1 24 THR H 1 24 THR MG . . 3.580 2.979 2.694 3.183 . 0 0 "[ . 1 . 2]" 1 330 1 24 THR H 1 25 VAL H . . 4.620 4.346 4.202 4.470 . 0 0 "[ . 1 . 2]" 1 331 1 24 THR H 1 25 VAL MG1 . . 4.220 3.752 3.509 3.977 . 0 0 "[ . 1 . 2]" 1 332 1 24 THR HA 1 24 THR MG . . 3.300 2.378 2.215 2.563 . 0 0 "[ . 1 . 2]" 1 333 1 24 THR HA 1 25 VAL H . . 2.920 2.221 2.149 2.335 . 0 0 "[ . 1 . 2]" 1 334 1 24 THR HA 1 25 VAL HA . . 5.050 4.435 4.398 4.507 . 0 0 "[ . 1 . 2]" 1 335 1 24 THR HA 1 25 VAL MG1 . . 4.000 3.619 3.472 3.850 . 0 0 "[ . 1 . 2]" 1 336 1 24 THR HA 1 25 VAL MG2 . . 4.470 3.684 3.540 3.815 . 0 0 "[ . 1 . 2]" 1 337 1 24 THR HA 1 99 VAL HA . . 4.280 3.961 3.747 4.242 . 0 0 "[ . 1 . 2]" 1 338 1 24 THR HA 1 99 VAL MG1 . . 3.890 3.342 2.915 3.658 . 0 0 "[ . 1 . 2]" 1 339 1 24 THR HA 1 100 MET H . . 3.420 2.536 2.301 2.796 . 0 0 "[ . 1 . 2]" 1 340 1 24 THR HA 1 100 MET HB2 . . 4.310 4.170 3.907 4.311 0.001 10 0 "[ . 1 . 2]" 1 341 1 24 THR HA 1 100 MET HB3 . . 4.310 2.850 2.542 3.120 . 0 0 "[ . 1 . 2]" 1 342 1 24 THR HA 1 102 THR MG . . 4.850 4.703 4.401 4.851 0.001 15 0 "[ . 1 . 2]" 1 343 1 24 THR HB 1 25 VAL H . . 3.480 2.942 2.564 3.306 . 0 0 "[ . 1 . 2]" 1 344 1 24 THR HB 1 100 MET H . . 4.760 4.672 4.475 4.761 0.001 7 0 "[ . 1 . 2]" 1 345 1 24 THR HB 1 100 MET QB . . 4.140 3.456 3.156 3.754 . 0 0 "[ . 1 . 2]" 1 346 1 24 THR HB 1 102 THR H . . 5.080 4.700 4.137 5.041 . 0 0 "[ . 1 . 2]" 1 347 1 24 THR HB 1 102 THR MG . . 3.790 3.295 2.974 3.703 . 0 0 "[ . 1 . 2]" 1 348 1 24 THR MG 1 25 VAL H . . 4.040 3.883 3.700 4.041 0.001 11 0 "[ . 1 . 2]" 1 349 1 24 THR MG 1 100 MET H . . 4.000 3.354 2.945 3.734 . 0 0 "[ . 1 . 2]" 1 350 1 24 THR MG 1 100 MET HB2 . . 3.670 3.301 2.919 3.658 . 0 0 "[ . 1 . 2]" 1 351 1 24 THR MG 1 100 MET HB3 . . 3.670 2.113 1.933 2.343 . 0 0 "[ . 1 . 2]" 1 352 1 24 THR MG 1 100 MET HG2 . . 4.660 3.472 3.082 3.862 . 0 0 "[ . 1 . 2]" 1 353 1 24 THR MG 1 100 MET QG . . 4.090 3.312 2.985 3.656 . 0 0 "[ . 1 . 2]" 1 354 1 24 THR MG 1 100 MET HG3 . . 4.660 4.224 3.750 4.630 . 0 0 "[ . 1 . 2]" 1 355 1 25 VAL H 1 25 VAL HB . . 4.170 3.867 3.794 3.979 . 0 0 "[ . 1 . 2]" 1 356 1 25 VAL H 1 25 VAL MG1 . . 3.550 3.014 2.786 3.159 . 0 0 "[ . 1 . 2]" 1 357 1 25 VAL H 1 25 VAL MG2 . . 3.300 2.195 1.985 2.510 . 0 0 "[ . 1 . 2]" 1 358 1 25 VAL H 1 99 VAL MG1 . . 3.600 3.344 2.828 3.595 . 0 0 "[ . 1 . 2]" 1 359 1 25 VAL H 1 100 MET H . . 4.460 3.897 3.395 4.254 . 0 0 "[ . 1 . 2]" 1 360 1 25 VAL H 1 101 ALA HA . . 3.430 2.876 2.625 3.256 . 0 0 "[ . 1 . 2]" 1 361 1 25 VAL H 1 102 THR H . . 3.890 3.581 3.310 3.873 . 0 0 "[ . 1 . 2]" 1 362 1 25 VAL HA 1 25 VAL MG1 . . 3.210 2.316 2.190 2.417 . 0 0 "[ . 1 . 2]" 1 363 1 25 VAL HA 1 26 LYS H . . 2.990 2.479 2.311 2.632 . 0 0 "[ . 1 . 2]" 1 364 1 25 VAL HB 1 26 LYS H . . 2.970 2.237 1.947 2.614 . 0 0 "[ . 1 . 2]" 1 365 1 25 VAL MG1 1 26 LYS H . . 3.840 3.623 3.515 3.775 . 0 0 "[ . 1 . 2]" 1 366 1 25 VAL MG1 1 73 TYR QE . . 4.690 4.162 3.705 4.538 . 0 0 "[ . 1 . 2]" 1 367 1 25 VAL MG2 1 26 LYS H . . 3.710 3.265 2.968 3.518 . 0 0 "[ . 1 . 2]" 1 368 1 25 VAL MG2 1 75 ALA MB . . 3.450 3.178 2.710 3.432 . 0 0 "[ . 1 . 2]" 1 369 1 25 VAL MG2 1 99 VAL MG1 . . 3.130 2.014 1.851 2.285 . 0 0 "[ . 1 . 2]" 1 370 1 25 VAL MG2 1 101 ALA HA . . 3.400 2.190 1.967 2.458 . 0 0 "[ . 1 . 2]" 1 371 1 25 VAL MG2 1 101 ALA MB . . 3.330 2.526 2.158 3.019 . 0 0 "[ . 1 . 2]" 1 372 1 25 VAL MG2 1 102 THR H . . 3.870 3.565 3.288 3.818 . 0 0 "[ . 1 . 2]" 1 373 1 26 LYS H 1 26 LYS HB2 . . 3.670 2.544 2.215 3.662 . 0 0 "[ . 1 . 2]" 1 374 1 26 LYS H 1 26 LYS QB . . 3.020 2.352 2.192 2.629 . 0 0 "[ . 1 . 2]" 1 375 1 26 LYS H 1 26 LYS HB3 . . 3.670 3.182 2.476 3.669 . 0 0 "[ . 1 . 2]" 1 376 1 26 LYS H 1 26 LYS QD . . 5.130 4.006 2.216 4.689 . 0 0 "[ . 1 . 2]" 1 377 1 26 LYS H 1 26 LYS QG . . 4.130 3.544 2.102 4.084 . 0 0 "[ . 1 . 2]" 1 378 1 26 LYS H 1 27 THR H . . 4.860 4.526 4.422 4.585 . 0 0 "[ . 1 . 2]" 1 379 1 26 LYS HA 1 26 LYS QD . . 4.420 3.763 2.943 4.357 . 0 0 "[ . 1 . 2]" 1 380 1 26 LYS HA 1 26 LYS QG . . 3.810 2.345 2.142 3.337 . 0 0 "[ . 1 . 2]" 1 381 1 26 LYS HA 1 27 THR H . . 2.840 2.242 2.168 2.366 . 0 0 "[ . 1 . 2]" 1 382 1 26 LYS HA 1 27 THR MG . . 3.960 3.761 3.585 3.938 . 0 0 "[ . 1 . 2]" 1 383 1 26 LYS HA 1 101 ALA HA . . 4.870 4.097 3.774 4.456 . 0 0 "[ . 1 . 2]" 1 384 1 26 LYS HA 1 102 THR H . . 3.770 2.856 2.438 3.240 . 0 0 "[ . 1 . 2]" 1 385 1 26 LYS QB 1 26 LYS QE . . 3.480 2.680 1.967 3.467 . 0 0 "[ . 1 . 2]" 1 386 1 26 LYS QB 1 27 THR H . . 3.640 3.111 2.489 3.633 . 0 0 "[ . 1 . 2]" 1 387 1 26 LYS QB 1 29 GLU QG . . 3.730 2.818 2.101 3.700 . 0 0 "[ . 1 . 2]" 1 388 1 26 LYS HB2 1 27 THR H . . 4.330 4.056 2.667 4.325 . 0 0 "[ . 1 . 2]" 1 389 1 26 LYS HB3 1 27 THR H . . 4.330 3.330 2.523 4.066 . 0 0 "[ . 1 . 2]" 1 390 1 26 LYS QE 1 26 LYS QG . . 3.250 2.205 2.059 2.571 . 0 0 "[ . 1 . 2]" 1 391 1 26 LYS QG 1 27 THR H . . 3.850 3.196 2.140 3.837 . 0 0 "[ . 1 . 2]" 1 392 1 27 THR H 1 27 THR HB . . 3.680 3.630 3.598 3.662 . 0 0 "[ . 1 . 2]" 1 393 1 27 THR H 1 27 THR MG . . 3.400 2.534 2.270 2.766 . 0 0 "[ . 1 . 2]" 1 394 1 27 THR H 1 28 GLY H . . 4.670 4.608 4.568 4.645 . 0 0 "[ . 1 . 2]" 1 395 1 27 THR H 1 102 THR H . . 3.960 3.779 3.102 3.964 0.004 5 0 "[ . 1 . 2]" 1 396 1 27 THR H 1 103 ASP HA . . 3.650 3.366 2.912 3.650 . 0 0 "[ . 1 . 2]" 1 397 1 27 THR HA 1 27 THR MG . . 3.410 2.283 2.181 2.389 . 0 0 "[ . 1 . 2]" 1 398 1 27 THR HA 1 28 GLY H . . 3.040 2.337 2.255 2.406 . 0 0 "[ . 1 . 2]" 1 399 1 27 THR HA 1 28 GLY HA2 . . 4.870 4.552 4.502 4.603 . 0 0 "[ . 1 . 2]" 1 400 1 27 THR HA 1 29 GLU H . . 3.980 3.552 3.349 3.753 . 0 0 "[ . 1 . 2]" 1 401 1 27 THR HA 1 75 ALA MB . . 3.570 2.209 1.977 2.684 . 0 0 "[ . 1 . 2]" 1 402 1 27 THR HA 1 101 ALA MB . . 4.230 3.466 3.095 3.949 . 0 0 "[ . 1 . 2]" 1 403 1 27 THR HB 1 28 GLY H . . 3.540 2.569 2.395 2.812 . 0 0 "[ . 1 . 2]" 1 404 1 27 THR HB 1 29 GLU H . . 5.060 4.849 4.758 5.036 . 0 0 "[ . 1 . 2]" 1 405 1 27 THR MG 1 28 GLY H . . 3.710 3.654 3.528 3.709 . 0 0 "[ . 1 . 2]" 1 406 1 27 THR MG 1 77 LYS H . . 4.380 4.150 3.777 4.327 . 0 0 "[ . 1 . 2]" 1 407 1 27 THR MG 1 77 LYS HA . . 3.760 3.396 3.160 3.633 . 0 0 "[ . 1 . 2]" 1 408 1 27 THR MG 1 78 PRO HA . . 3.500 2.201 1.938 2.508 . 0 0 "[ . 1 . 2]" 1 409 1 27 THR MG 1 78 PRO HB2 . . 4.110 3.728 3.454 4.109 . 0 0 "[ . 1 . 2]" 1 410 1 27 THR MG 1 78 PRO HB3 . . 3.840 2.400 2.017 2.944 . 0 0 "[ . 1 . 2]" 1 411 1 27 THR MG 1 78 PRO HD2 . . 4.300 3.967 3.613 4.270 . 0 0 "[ . 1 . 2]" 1 412 1 27 THR MG 1 78 PRO HD3 . . 3.580 2.790 2.346 3.347 . 0 0 "[ . 1 . 2]" 1 413 1 27 THR MG 1 79 GLY H . . 4.350 3.989 3.698 4.347 . 0 0 "[ . 1 . 2]" 1 414 1 27 THR MG 1 101 ALA HA . . 4.390 3.490 3.190 3.774 . 0 0 "[ . 1 . 2]" 1 415 1 27 THR MG 1 101 ALA MB . . 3.240 1.928 1.713 2.192 . 0 0 "[ . 1 . 2]" 1 416 1 27 THR MG 1 102 THR H . . 4.190 3.384 2.958 3.761 . 0 0 "[ . 1 . 2]" 1 417 1 27 THR MG 1 103 ASP HA . . 3.630 3.128 2.457 3.630 . 0 0 "[ . 1 . 2]" 1 418 1 28 GLY H 1 29 GLU H . . 3.380 3.142 2.804 3.312 . 0 0 "[ . 1 . 2]" 1 419 1 28 GLY H 1 74 THR MG . . 4.140 3.089 2.931 3.341 . 0 0 "[ . 1 . 2]" 1 420 1 28 GLY H 1 75 ALA H . . 4.520 3.219 2.695 3.572 . 0 0 "[ . 1 . 2]" 1 421 1 28 GLY H 1 75 ALA MB . . 4.060 3.135 2.712 3.730 . 0 0 "[ . 1 . 2]" 1 422 1 28 GLY H 1 76 ALA HA . . 4.130 3.767 2.791 4.073 . 0 0 "[ . 1 . 2]" 1 423 1 28 GLY HA2 1 74 THR MG . . 3.850 3.032 2.457 3.445 . 0 0 "[ . 1 . 2]" 1 424 1 28 GLY HA2 1 76 ALA HA . . 4.290 3.880 3.145 4.262 . 0 0 "[ . 1 . 2]" 1 425 1 28 GLY HA3 1 74 THR MG . . 4.520 4.173 3.705 4.492 . 0 0 "[ . 1 . 2]" 1 426 1 29 GLU H 1 29 GLU HB2 . . 3.780 2.715 2.199 3.672 . 0 0 "[ . 1 . 2]" 1 427 1 29 GLU H 1 29 GLU QB . . 3.130 2.391 2.177 2.872 . 0 0 "[ . 1 . 2]" 1 428 1 29 GLU H 1 29 GLU HB3 . . 3.780 3.303 2.530 3.667 . 0 0 "[ . 1 . 2]" 1 429 1 29 GLU H 1 29 GLU HG2 . . 3.730 2.930 2.249 3.628 . 0 0 "[ . 1 . 2]" 1 430 1 29 GLU H 1 29 GLU HG3 . . 3.730 3.106 2.233 3.725 . 0 0 "[ . 1 . 2]" 1 431 1 29 GLU H 1 30 GLU H . . 4.680 4.599 4.549 4.630 . 0 0 "[ . 1 . 2]" 1 432 1 29 GLU H 1 74 THR MG . . 3.980 3.821 3.504 3.977 . 0 0 "[ . 1 . 2]" 1 433 1 29 GLU H 1 75 ALA H . . 4.630 4.559 4.306 4.632 0.002 6 0 "[ . 1 . 2]" 1 434 1 29 GLU HA 1 29 GLU HG2 . . 4.240 2.899 2.229 4.230 . 0 0 "[ . 1 . 2]" 1 435 1 29 GLU HA 1 29 GLU HG3 . . 4.240 3.546 3.133 4.236 . 0 0 "[ . 1 . 2]" 1 436 1 29 GLU HA 1 30 GLU H . . 2.740 2.310 2.173 2.450 . 0 0 "[ . 1 . 2]" 1 437 1 29 GLU HA 1 30 GLU HB2 . . 4.780 4.479 4.334 4.719 . 0 0 "[ . 1 . 2]" 1 438 1 29 GLU HA 1 30 GLU QB . . 4.190 4.027 4.001 4.086 . 0 0 "[ . 1 . 2]" 1 439 1 29 GLU HA 1 30 GLU HB3 . . 4.780 4.579 4.395 4.748 . 0 0 "[ . 1 . 2]" 1 440 1 29 GLU QB 1 30 GLU H . . 3.470 2.666 2.291 3.125 . 0 0 "[ . 1 . 2]" 1 441 1 29 GLU QB 1 30 GLU HA . . 4.670 4.340 4.125 4.641 . 0 0 "[ . 1 . 2]" 1 442 1 29 GLU HB2 1 30 GLU H . . 4.320 3.558 2.432 4.297 . 0 0 "[ . 1 . 2]" 1 443 1 29 GLU HB3 1 30 GLU H . . 4.320 3.092 2.316 4.080 . 0 0 "[ . 1 . 2]" 1 444 1 29 GLU QG 1 30 GLU H . . 4.510 3.930 3.500 4.308 . 0 0 "[ . 1 . 2]" 1 445 1 29 GLU HG2 1 30 GLU H . . 5.210 4.400 3.726 4.974 . 0 0 "[ . 1 . 2]" 1 446 1 29 GLU HG3 1 30 GLU H . . 5.210 4.689 3.598 5.198 . 0 0 "[ . 1 . 2]" 1 447 1 30 GLU H 1 30 GLU HB2 . . 3.200 2.932 2.630 3.128 . 0 0 "[ . 1 . 2]" 1 448 1 30 GLU H 1 30 GLU HB3 . . 3.200 2.476 2.290 2.589 . 0 0 "[ . 1 . 2]" 1 449 1 30 GLU H 1 30 GLU QG . . 4.080 3.997 3.925 4.076 . 0 0 "[ . 1 . 2]" 1 450 1 30 GLU H 1 31 VAL H . . 4.430 4.331 4.258 4.416 . 0 0 "[ . 1 . 2]" 1 451 1 30 GLU HA 1 30 GLU QG . . 3.660 2.475 2.355 2.602 . 0 0 "[ . 1 . 2]" 1 452 1 30 GLU HA 1 31 VAL H . . 2.920 2.146 2.139 2.162 . 0 0 "[ . 1 . 2]" 1 453 1 30 GLU HA 1 31 VAL MG2 . . 4.220 3.757 3.692 3.875 . 0 0 "[ . 1 . 2]" 1 454 1 30 GLU HA 1 73 TYR H . . 4.650 4.443 4.254 4.646 . 0 0 "[ . 1 . 2]" 1 455 1 30 GLU HA 1 74 THR MG . . 3.960 3.131 2.926 3.448 . 0 0 "[ . 1 . 2]" 1 456 1 30 GLU HB2 1 31 VAL H . . 4.540 4.311 4.140 4.451 . 0 0 "[ . 1 . 2]" 1 457 1 30 GLU HB3 1 31 VAL H . . 4.540 4.351 4.203 4.512 . 0 0 "[ . 1 . 2]" 1 458 1 30 GLU QG 1 31 VAL H . . 3.500 3.001 2.618 3.251 . 0 0 "[ . 1 . 2]" 1 459 1 30 GLU QG 1 72 PHE HB2 . . 4.260 3.900 3.663 4.175 . 0 0 "[ . 1 . 2]" 1 460 1 30 GLU QG 1 72 PHE HB3 . . 3.940 2.771 2.507 3.091 . 0 0 "[ . 1 . 2]" 1 461 1 30 GLU QG 1 72 PHE QD . . 3.710 3.496 3.194 3.691 . 0 0 "[ . 1 . 2]" 1 462 1 30 GLU QG 1 73 TYR H . . 4.030 3.209 2.733 3.816 . 0 0 "[ . 1 . 2]" 1 463 1 31 VAL H 1 31 VAL HB . . 3.870 3.601 2.593 3.686 . 0 0 "[ . 1 . 2]" 1 464 1 31 VAL H 1 31 VAL MG1 . . 3.710 2.625 2.302 3.788 0.078 9 0 "[ . 1 . 2]" 1 465 1 31 VAL H 1 31 VAL MG2 . . 3.270 2.018 1.879 2.295 . 0 0 "[ . 1 . 2]" 1 466 1 31 VAL H 1 32 GLY H . . 4.860 4.564 4.536 4.612 . 0 0 "[ . 1 . 2]" 1 467 1 31 VAL H 1 72 PHE HA . . 5.220 4.954 4.768 5.146 . 0 0 "[ . 1 . 2]" 1 468 1 31 VAL H 1 72 PHE HB3 . . 4.850 4.790 4.695 4.852 0.002 5 0 "[ . 1 . 2]" 1 469 1 31 VAL H 1 73 TYR H . . 3.560 3.299 3.096 3.532 . 0 0 "[ . 1 . 2]" 1 470 1 31 VAL H 1 74 THR HA . . 3.630 3.331 2.965 3.601 . 0 0 "[ . 1 . 2]" 1 471 1 31 VAL HA 1 31 VAL MG1 . . 3.640 2.289 2.163 2.394 . 0 0 "[ . 1 . 2]" 1 472 1 31 VAL HA 1 31 VAL MG2 . . 3.500 3.150 2.364 3.202 . 0 0 "[ . 1 . 2]" 1 473 1 31 VAL HA 1 32 GLY H . . 2.980 2.470 2.334 2.512 . 0 0 "[ . 1 . 2]" 1 474 1 31 VAL HA 1 32 GLY HA2 . . 4.870 4.553 4.517 4.578 . 0 0 "[ . 1 . 2]" 1 475 1 31 VAL HA 1 32 GLY HA3 . . 4.690 4.306 4.300 4.312 . 0 0 "[ . 1 . 2]" 1 476 1 31 VAL HB 1 32 GLY H . . 3.630 2.305 2.173 3.632 0.002 9 0 "[ . 1 . 2]" 1 477 1 31 VAL MG1 1 32 GLY H . . 3.650 3.524 1.914 3.649 . 0 0 "[ . 1 . 2]" 1 478 1 31 VAL MG2 1 32 GLY H . . 4.290 3.347 3.159 3.892 . 0 0 "[ . 1 . 2]" 1 479 1 31 VAL MG2 1 73 TYR H . . 4.100 2.428 1.971 4.101 0.001 9 0 "[ . 1 . 2]" 1 480 1 31 VAL MG2 1 73 TYR QD . . 3.850 2.872 2.516 3.274 . 0 0 "[ . 1 . 2]" 1 481 1 31 VAL MG2 1 73 TYR QE . . 3.670 2.538 2.178 2.748 . 0 0 "[ . 1 . 2]" 1 482 1 32 GLY H 1 33 PHE H . . 4.380 3.717 3.602 3.900 . 0 0 "[ . 1 . 2]" 1 483 1 32 GLY HA2 1 33 PHE H . . 3.130 2.189 2.141 2.228 . 0 0 "[ . 1 . 2]" 1 484 1 32 GLY HA2 1 71 ILE H . . 4.720 4.500 4.343 4.639 . 0 0 "[ . 1 . 2]" 1 485 1 32 GLY HA2 1 72 PHE HA . . 3.740 2.254 2.014 2.388 . 0 0 "[ . 1 . 2]" 1 486 1 32 GLY HA2 1 72 PHE QD . . 4.440 2.802 2.378 3.246 . 0 0 "[ . 1 . 2]" 1 487 1 32 GLY HA2 1 73 TYR H . . 4.260 3.897 3.673 4.102 . 0 0 "[ . 1 . 2]" 1 488 1 32 GLY HA3 1 33 PHE H . . 3.460 3.410 3.294 3.457 . 0 0 "[ . 1 . 2]" 1 489 1 32 GLY HA3 1 71 ILE H . . 5.500 5.355 5.123 5.502 0.002 9 0 "[ . 1 . 2]" 1 490 1 32 GLY HA3 1 72 PHE HA . . 4.080 3.724 3.381 3.942 . 0 0 "[ . 1 . 2]" 1 491 1 32 GLY HA3 1 72 PHE QD . . 4.270 2.269 2.039 2.502 . 0 0 "[ . 1 . 2]" 1 492 1 32 GLY HA3 1 72 PHE QE . . 4.710 2.856 2.449 3.529 . 0 0 "[ . 1 . 2]" 1 493 1 32 GLY HA3 1 73 TYR H . . 5.430 5.103 4.679 5.299 . 0 0 "[ . 1 . 2]" 1 494 1 33 PHE H 1 33 PHE QD . . 3.850 2.353 2.069 2.777 . 0 0 "[ . 1 . 2]" 1 495 1 33 PHE H 1 34 VAL H . . 4.740 4.526 4.465 4.544 . 0 0 "[ . 1 . 2]" 1 496 1 33 PHE H 1 71 ILE H . . 3.630 3.569 3.393 3.631 0.001 18 0 "[ . 1 . 2]" 1 497 1 33 PHE H 1 71 ILE HB . . 4.020 3.813 3.615 4.010 . 0 0 "[ . 1 . 2]" 1 498 1 33 PHE H 1 72 PHE HA . . 4.220 3.463 3.343 3.611 . 0 0 "[ . 1 . 2]" 1 499 1 33 PHE HA 1 34 VAL H . . 3.170 2.360 2.289 2.520 . 0 0 "[ . 1 . 2]" 1 500 1 33 PHE HA 1 34 VAL HB . . 4.580 4.395 4.303 4.497 . 0 0 "[ . 1 . 2]" 1 501 1 33 PHE HA 1 34 VAL MG1 . . 4.070 3.600 3.422 3.774 . 0 0 "[ . 1 . 2]" 1 502 1 33 PHE HB2 1 34 VAL H . . 3.360 2.562 2.183 2.738 . 0 0 "[ . 1 . 2]" 1 503 1 33 PHE HB3 1 34 VAL H . . 3.960 3.860 3.585 3.959 . 0 0 "[ . 1 . 2]" 1 504 1 33 PHE QD 1 34 VAL H . . 3.750 3.379 3.048 3.743 . 0 0 "[ . 1 . 2]" 1 505 1 33 PHE QD 1 35 VAL MG2 . . 3.720 3.105 2.931 3.299 . 0 0 "[ . 1 . 2]" 1 506 1 33 PHE QD 1 71 ILE HB . . 4.820 3.604 3.429 3.877 . 0 0 "[ . 1 . 2]" 1 507 1 33 PHE QD 1 71 ILE MD . . 4.430 3.573 3.203 3.938 . 0 0 "[ . 1 . 2]" 1 508 1 33 PHE QD 1 71 ILE MG . . 4.510 4.063 3.825 4.508 . 0 0 "[ . 1 . 2]" 1 509 1 33 PHE QE 1 35 VAL MG2 . . 3.500 3.046 2.625 3.496 . 0 0 "[ . 1 . 2]" 1 510 1 33 PHE QE 1 71 ILE HB . . 4.680 2.927 2.605 3.290 . 0 0 "[ . 1 . 2]" 1 511 1 33 PHE QE 1 71 ILE MD . . 3.670 2.110 1.808 2.594 . 0 0 "[ . 1 . 2]" 1 512 1 33 PHE QE 1 71 ILE MG . . 3.770 2.713 2.335 3.143 . 0 0 "[ . 1 . 2]" 1 513 1 33 PHE QE 1 73 TYR QE . . 3.680 2.795 2.160 3.416 . 0 0 "[ . 1 . 2]" 1 514 1 33 PHE QE 1 83 ILE MD . . 4.400 3.160 2.673 3.638 . 0 0 "[ . 1 . 2]" 1 515 1 33 PHE QE 1 83 ILE MG . . 3.810 3.454 3.192 3.724 . 0 0 "[ . 1 . 2]" 1 516 1 33 PHE QE 1 85 VAL MG2 . . 3.640 3.321 2.836 3.637 . 0 0 "[ . 1 . 2]" 1 517 1 33 PHE HZ 1 71 ILE MD . . 3.970 2.302 2.042 2.541 . 0 0 "[ . 1 . 2]" 1 518 1 33 PHE HZ 1 71 ILE MG . . 4.020 2.508 2.022 3.209 . 0 0 "[ . 1 . 2]" 1 519 1 33 PHE HZ 1 83 ILE MG . . 3.720 2.962 2.648 3.380 . 0 0 "[ . 1 . 2]" 1 520 1 33 PHE HZ 1 85 VAL MG2 . . 4.280 3.709 2.995 4.234 . 0 0 "[ . 1 . 2]" 1 521 1 34 VAL H 1 34 VAL HB . . 3.440 3.250 3.076 3.415 . 0 0 "[ . 1 . 2]" 1 522 1 34 VAL H 1 34 VAL MG1 . . 3.460 2.211 2.034 2.431 . 0 0 "[ . 1 . 2]" 1 523 1 34 VAL H 1 34 VAL MG2 . . 4.110 3.913 3.874 3.951 . 0 0 "[ . 1 . 2]" 1 524 1 34 VAL HA 1 34 VAL MG1 . . 3.550 3.200 3.186 3.204 . 0 0 "[ . 1 . 2]" 1 525 1 34 VAL HA 1 34 VAL MG2 . . 3.370 2.319 2.256 2.450 . 0 0 "[ . 1 . 2]" 1 526 1 34 VAL HA 1 35 VAL H . . 2.890 2.207 2.168 2.257 . 0 0 "[ . 1 . 2]" 1 527 1 34 VAL HA 1 35 VAL HB . . 4.960 4.577 4.449 4.670 . 0 0 "[ . 1 . 2]" 1 528 1 34 VAL HA 1 35 VAL MG2 . . 4.650 3.701 3.484 3.939 . 0 0 "[ . 1 . 2]" 1 529 1 34 VAL HA 1 69 TYR H . . 4.550 4.305 4.081 4.508 . 0 0 "[ . 1 . 2]" 1 530 1 34 VAL HA 1 70 ASP HA . . 3.780 2.405 2.065 2.710 . 0 0 "[ . 1 . 2]" 1 531 1 34 VAL HA 1 71 ILE H . . 3.880 3.141 2.999 3.315 . 0 0 "[ . 1 . 2]" 1 532 1 34 VAL HB 1 35 VAL H . . 4.240 4.051 3.945 4.167 . 0 0 "[ . 1 . 2]" 1 533 1 34 VAL MG1 1 35 VAL H . . 3.890 3.836 3.684 3.892 0.002 17 0 "[ . 1 . 2]" 1 534 1 34 VAL MG2 1 35 VAL H . . 3.320 2.141 1.900 2.528 . 0 0 "[ . 1 . 2]" 1 535 1 34 VAL MG2 1 68 THR HA . . 4.290 3.709 3.296 4.218 . 0 0 "[ . 1 . 2]" 1 536 1 34 VAL MG2 1 68 THR HB . . 3.110 2.168 1.889 2.520 . 0 0 "[ . 1 . 2]" 1 537 1 34 VAL MG2 1 69 TYR H . . 3.740 2.530 2.055 2.999 . 0 0 "[ . 1 . 2]" 1 538 1 34 VAL MG2 1 69 TYR HA . . 5.090 3.792 3.618 4.223 . 0 0 "[ . 1 . 2]" 1 539 1 34 VAL MG2 1 70 ASP HA . . 4.480 2.763 2.414 3.096 . 0 0 "[ . 1 . 2]" 1 540 1 34 VAL MG2 1 70 ASP QB . . 5.140 3.615 2.590 4.087 . 0 0 "[ . 1 . 2]" 1 541 1 34 VAL MG2 1 71 ILE H . . 4.850 4.400 4.200 4.623 . 0 0 "[ . 1 . 2]" 1 542 1 35 VAL H 1 35 VAL HB . . 3.500 2.449 2.358 2.531 . 0 0 "[ . 1 . 2]" 1 543 1 35 VAL H 1 35 VAL MG1 . . 3.980 3.759 3.695 3.803 . 0 0 "[ . 1 . 2]" 1 544 1 35 VAL H 1 35 VAL MG2 . . 3.780 2.578 2.357 2.859 . 0 0 "[ . 1 . 2]" 1 545 1 35 VAL H 1 68 THR HA . . 4.970 4.599 4.268 4.809 . 0 0 "[ . 1 . 2]" 1 546 1 35 VAL H 1 68 THR HB . . 4.700 4.226 3.763 4.676 . 0 0 "[ . 1 . 2]" 1 547 1 35 VAL H 1 69 TYR H . . 3.640 2.746 2.360 2.934 . 0 0 "[ . 1 . 2]" 1 548 1 35 VAL H 1 69 TYR HA . . 5.400 4.718 4.452 4.846 . 0 0 "[ . 1 . 2]" 1 549 1 35 VAL H 1 69 TYR HB2 . . 4.110 3.409 3.180 3.734 . 0 0 "[ . 1 . 2]" 1 550 1 35 VAL H 1 69 TYR HB3 . . 4.810 4.494 4.311 4.675 . 0 0 "[ . 1 . 2]" 1 551 1 35 VAL H 1 70 ASP HA . . 4.320 3.883 3.551 4.222 . 0 0 "[ . 1 . 2]" 1 552 1 35 VAL H 1 71 ILE H . . 4.960 4.875 4.689 4.959 . 0 0 "[ . 1 . 2]" 1 553 1 35 VAL H 1 71 ILE MD . . 4.740 4.177 3.843 4.734 . 0 0 "[ . 1 . 2]" 1 554 1 35 VAL HA 1 35 VAL MG1 . . 3.220 2.432 2.320 2.545 . 0 0 "[ . 1 . 2]" 1 555 1 35 VAL HA 1 35 VAL MG2 . . 3.550 2.288 2.141 2.421 . 0 0 "[ . 1 . 2]" 1 556 1 35 VAL HA 1 36 ASP H . . 3.140 2.154 2.140 2.222 . 0 0 "[ . 1 . 2]" 1 557 1 35 VAL HA 1 36 ASP HB2 . . 4.450 4.281 4.178 4.371 . 0 0 "[ . 1 . 2]" 1 558 1 35 VAL HA 1 36 ASP HB3 . . 5.180 4.956 4.857 4.998 . 0 0 "[ . 1 . 2]" 1 559 1 35 VAL HA 1 69 TYR H . . 4.980 4.785 4.495 4.961 . 0 0 "[ . 1 . 2]" 1 560 1 35 VAL HB 1 45 VAL HB . . 4.300 4.155 3.771 4.294 . 0 0 "[ . 1 . 2]" 1 561 1 35 VAL HB 1 45 VAL MG1 . . 4.180 3.115 2.365 3.636 . 0 0 "[ . 1 . 2]" 1 562 1 35 VAL HB 1 45 VAL MG2 . . 4.240 3.056 2.492 3.377 . 0 0 "[ . 1 . 2]" 1 563 1 35 VAL HB 1 69 TYR H . . 4.220 2.953 2.616 3.446 . 0 0 "[ . 1 . 2]" 1 564 1 35 VAL HB 1 69 TYR HB2 . . 3.790 2.696 2.322 2.857 . 0 0 "[ . 1 . 2]" 1 565 1 35 VAL HB 1 69 TYR HB3 . . 4.450 4.360 3.972 4.451 0.001 5 0 "[ . 1 . 2]" 1 566 1 35 VAL HB 1 69 TYR QD . . 4.430 3.682 2.826 4.362 . 0 0 "[ . 1 . 2]" 1 567 1 35 VAL MG1 1 36 ASP H . . 3.720 2.589 2.040 3.105 . 0 0 "[ . 1 . 2]" 1 568 1 35 VAL MG1 1 45 VAL MG2 . . 3.570 2.361 2.006 2.680 . 0 0 "[ . 1 . 2]" 1 569 1 35 VAL MG1 1 68 THR HA . . 5.290 4.134 3.707 4.642 . 0 0 "[ . 1 . 2]" 1 570 1 35 VAL MG2 1 36 ASP H . . 4.090 3.974 3.792 4.091 0.001 6 0 "[ . 1 . 2]" 1 571 1 35 VAL MG2 1 45 VAL MG1 . . 3.390 2.063 1.803 2.309 . 0 0 "[ . 1 . 2]" 1 572 1 35 VAL MG2 1 69 TYR H . . 5.210 4.212 3.824 4.643 . 0 0 "[ . 1 . 2]" 1 573 1 35 VAL MG2 1 71 ILE MD . . 3.050 2.819 2.556 3.044 . 0 0 "[ . 1 . 2]" 1 574 1 36 ASP H 1 36 ASP HB2 . . 3.600 2.552 2.353 2.754 . 0 0 "[ . 1 . 2]" 1 575 1 36 ASP H 1 36 ASP HB3 . . 3.750 2.846 2.751 2.911 . 0 0 "[ . 1 . 2]" 1 576 1 36 ASP H 1 37 ALA H . . 4.760 4.467 4.358 4.526 . 0 0 "[ . 1 . 2]" 1 577 1 36 ASP HA 1 37 ALA H . . 3.070 2.165 2.145 2.213 . 0 0 "[ . 1 . 2]" 1 578 1 36 ASP HA 1 37 ALA MB . . 4.120 3.923 3.848 3.976 . 0 0 "[ . 1 . 2]" 1 579 1 36 ASP HA 1 68 THR HA . . 3.830 3.593 3.260 3.813 . 0 0 "[ . 1 . 2]" 1 580 1 36 ASP HA 1 68 THR MG . . 3.450 2.063 1.797 2.494 . 0 0 "[ . 1 . 2]" 1 581 1 36 ASP HA 1 69 TYR H . . 4.770 4.691 4.545 4.773 0.003 18 0 "[ . 1 . 2]" 1 582 1 36 ASP HB2 1 37 ALA H . . 4.670 4.364 4.252 4.427 . 0 0 "[ . 1 . 2]" 1 583 1 36 ASP HB2 1 68 THR MG . . 4.620 3.682 3.154 4.212 . 0 0 "[ . 1 . 2]" 1 584 1 36 ASP HB3 1 37 ALA H . . 4.370 3.885 3.706 3.985 . 0 0 "[ . 1 . 2]" 1 585 1 36 ASP HB3 1 38 LYS H . . 5.500 5.497 5.421 5.523 0.023 17 0 "[ . 1 . 2]" 1 586 1 36 ASP HB3 1 68 THR MG . . 5.330 4.410 4.008 4.856 . 0 0 "[ . 1 . 2]" 1 587 1 37 ALA H 1 37 ALA MB . . 3.480 2.474 2.393 2.564 . 0 0 "[ . 1 . 2]" 1 588 1 37 ALA H 1 38 LYS HA . . 4.950 4.846 4.785 4.948 . 0 0 "[ . 1 . 2]" 1 589 1 37 ALA H 1 38 LYS HG2 . . 5.410 4.975 4.248 5.409 . 0 0 "[ . 1 . 2]" 1 590 1 37 ALA H 1 68 THR HA . . 4.340 4.003 3.637 4.309 . 0 0 "[ . 1 . 2]" 1 591 1 37 ALA H 1 68 THR HB . . 5.500 5.338 4.758 5.499 . 0 0 "[ . 1 . 2]" 1 592 1 37 ALA H 1 68 THR MG . . 3.890 2.767 2.481 3.124 . 0 0 "[ . 1 . 2]" 1 593 1 37 ALA HA 1 39 THR H . . 4.670 4.236 3.938 4.619 . 0 0 "[ . 1 . 2]" 1 594 1 37 ALA HA 1 40 ALA H . . 4.180 3.926 3.765 4.097 . 0 0 "[ . 1 . 2]" 1 595 1 37 ALA HA 1 40 ALA MB . . 4.060 3.072 2.971 3.486 . 0 0 "[ . 1 . 2]" 1 596 1 37 ALA MB 1 38 LYS H . . 3.940 3.129 3.084 3.175 . 0 0 "[ . 1 . 2]" 1 597 1 37 ALA MB 1 38 LYS HA . . 4.810 4.129 4.001 4.226 . 0 0 "[ . 1 . 2]" 1 598 1 37 ALA MB 1 40 ALA H . . 4.140 3.562 3.152 3.937 . 0 0 "[ . 1 . 2]" 1 599 1 37 ALA MB 1 45 VAL MG2 . . 4.360 4.221 4.020 4.353 . 0 0 "[ . 1 . 2]" 1 600 1 37 ALA MB 1 68 THR HA . . 4.770 4.102 3.569 4.492 . 0 0 "[ . 1 . 2]" 1 601 1 37 ALA MB 1 87 PHE QD . . 4.580 4.379 4.005 4.582 0.002 17 0 "[ . 1 . 2]" 1 602 1 37 ALA MB 1 87 PHE QE . . 4.130 3.462 3.039 3.857 . 0 0 "[ . 1 . 2]" 1 603 1 38 LYS H 1 38 LYS HB2 . . 4.070 3.303 2.649 3.786 . 0 0 "[ . 1 . 2]" 1 604 1 38 LYS H 1 38 LYS QB . . 3.430 2.904 2.593 3.079 . 0 0 "[ . 1 . 2]" 1 605 1 38 LYS H 1 38 LYS HB3 . . 4.070 3.465 3.223 3.788 . 0 0 "[ . 1 . 2]" 1 606 1 38 LYS H 1 38 LYS HD2 . . 5.050 4.678 4.360 4.901 . 0 0 "[ . 1 . 2]" 1 607 1 38 LYS H 1 38 LYS QD . . 4.330 4.095 3.825 4.330 0.000 6 0 "[ . 1 . 2]" 1 608 1 38 LYS H 1 38 LYS HD3 . . 5.050 4.549 4.142 4.978 . 0 0 "[ . 1 . 2]" 1 609 1 38 LYS H 1 38 LYS HG2 . . 3.370 2.399 1.915 3.094 . 0 0 "[ . 1 . 2]" 1 610 1 38 LYS H 1 38 LYS HG3 . . 3.440 2.802 2.361 3.443 0.003 3 0 "[ . 1 . 2]" 1 611 1 38 LYS H 1 39 THR H . . 3.600 2.257 1.983 2.639 . 0 0 "[ . 1 . 2]" 1 612 1 38 LYS H 1 39 THR MG . . 4.450 4.062 3.416 4.453 0.003 17 0 "[ . 1 . 2]" 1 613 1 38 LYS H 1 40 ALA H . . 4.510 2.803 2.685 3.029 . 0 0 "[ . 1 . 2]" 1 614 1 38 LYS HA 1 38 LYS QD . . 4.650 4.009 2.568 4.447 . 0 0 "[ . 1 . 2]" 1 615 1 38 LYS HA 1 38 LYS HG2 . . 3.910 3.252 2.623 3.730 . 0 0 "[ . 1 . 2]" 1 616 1 38 LYS HA 1 38 LYS HG3 . . 4.010 3.765 3.596 3.904 . 0 0 "[ . 1 . 2]" 1 617 1 38 LYS QB 1 38 LYS QE . . 3.750 2.885 1.998 3.674 . 0 0 "[ . 1 . 2]" 1 618 1 38 LYS QB 1 39 THR H . . 3.580 2.671 1.899 3.312 . 0 0 "[ . 1 . 2]" 1 619 1 38 LYS QB 1 39 THR MG . . 4.900 2.926 2.178 4.241 . 0 0 "[ . 1 . 2]" 1 620 1 38 LYS HB2 1 38 LYS HD2 . . 3.910 3.045 2.365 3.766 . 0 0 "[ . 1 . 2]" 1 621 1 38 LYS HB2 1 38 LYS HD3 . . 3.910 3.351 2.358 3.974 0.064 20 0 "[ . 1 . 2]" 1 622 1 38 LYS HB2 1 38 LYS HE2 . . 4.960 3.993 2.254 4.950 . 0 0 "[ . 1 . 2]" 1 623 1 38 LYS HB2 1 38 LYS HE3 . . 4.960 3.996 2.178 5.078 0.118 20 0 "[ . 1 . 2]" 1 624 1 38 LYS HB2 1 39 THR H . . 4.320 2.789 1.911 3.559 . 0 0 "[ . 1 . 2]" 1 625 1 38 LYS HB3 1 38 LYS HD2 . . 3.910 2.763 2.065 3.759 . 0 0 "[ . 1 . 2]" 1 626 1 38 LYS HB3 1 38 LYS HD3 . . 3.910 2.903 2.126 3.565 . 0 0 "[ . 1 . 2]" 1 627 1 38 LYS HB3 1 38 LYS HE2 . . 4.960 3.777 2.032 4.796 . 0 0 "[ . 1 . 2]" 1 628 1 38 LYS HB3 1 38 LYS HE3 . . 4.960 3.966 2.975 4.648 . 0 0 "[ . 1 . 2]" 1 629 1 38 LYS HB3 1 39 THR H . . 4.320 3.700 3.215 3.988 . 0 0 "[ . 1 . 2]" 1 630 1 38 LYS QE 1 38 LYS HG2 . . 3.640 2.730 2.126 3.445 . 0 0 "[ . 1 . 2]" 1 631 1 38 LYS HE2 1 38 LYS HG3 . . 3.940 3.218 2.071 3.937 . 0 0 "[ . 1 . 2]" 1 632 1 38 LYS HE3 1 38 LYS HG3 . . 3.940 2.917 2.119 3.730 . 0 0 "[ . 1 . 2]" 1 633 1 38 LYS HG2 1 39 THR H . . 4.840 3.359 2.361 4.426 . 0 0 "[ . 1 . 2]" 1 634 1 38 LYS HG2 1 39 THR MG . . 5.070 4.280 3.127 5.070 0.000 2 0 "[ . 1 . 2]" 1 635 1 38 LYS HG3 1 39 THR H . . 4.870 2.725 1.905 4.059 . 0 0 "[ . 1 . 2]" 1 636 1 38 LYS HG3 1 39 THR MG . . 4.360 3.199 2.038 4.299 . 0 0 "[ . 1 . 2]" 1 637 1 39 THR H 1 39 THR MG . . 3.630 2.301 1.896 2.974 . 0 0 "[ . 1 . 2]" 1 638 1 39 THR H 1 40 ALA H . . 3.130 2.033 1.825 2.284 . 0 0 "[ . 1 . 2]" 1 639 1 39 THR H 1 40 ALA MB . . 4.440 3.660 3.418 3.911 . 0 0 "[ . 1 . 2]" 1 640 1 39 THR H 1 41 GLY H . . 4.710 4.370 4.060 4.690 . 0 0 "[ . 1 . 2]" 1 641 1 39 THR HA 1 39 THR MG . . 3.290 2.773 2.193 3.206 . 0 0 "[ . 1 . 2]" 1 642 1 39 THR HA 1 40 ALA MB . . 5.090 4.808 4.692 4.853 . 0 0 "[ . 1 . 2]" 1 643 1 39 THR HA 1 41 GLY H . . 4.080 3.734 3.215 4.079 . 0 0 "[ . 1 . 2]" 1 644 1 39 THR HB 1 40 ALA H . . 4.630 4.195 3.935 4.532 . 0 0 "[ . 1 . 2]" 1 645 1 39 THR MG 1 40 ALA H . . 4.220 3.370 2.180 4.208 . 0 0 "[ . 1 . 2]" 1 646 1 40 ALA H 1 40 ALA MB . . 2.990 2.113 2.038 2.251 . 0 0 "[ . 1 . 2]" 1 647 1 40 ALA H 1 41 GLY H . . 3.170 2.989 2.613 3.178 0.008 2 0 "[ . 1 . 2]" 1 648 1 40 ALA H 1 41 GLY HA2 . . 5.500 5.169 4.901 5.238 . 0 0 "[ . 1 . 2]" 1 649 1 40 ALA H 1 41 GLY QA . . 4.760 4.707 4.488 4.764 0.004 18 0 "[ . 1 . 2]" 1 650 1 40 ALA H 1 41 GLY HA3 . . 5.500 5.421 5.207 5.482 . 0 0 "[ . 1 . 2]" 1 651 1 40 ALA MB 1 41 GLY H . . 3.720 2.747 2.460 3.680 . 0 0 "[ . 1 . 2]" 1 652 1 40 ALA MB 1 87 PHE QD . . 4.480 3.676 3.276 4.071 . 0 0 "[ . 1 . 2]" 1 653 1 40 ALA MB 1 87 PHE QE . . 3.880 2.954 2.408 3.631 . 0 0 "[ . 1 . 2]" 1 654 1 40 ALA MB 1 87 PHE HZ . . 4.020 2.948 2.444 3.864 . 0 0 "[ . 1 . 2]" 1 655 1 41 GLY QA 1 42 LYS H . . 2.760 2.146 2.108 2.252 . 0 0 "[ . 1 . 2]" 1 656 1 41 GLY QA 1 42 LYS QB . . 4.610 3.819 3.749 3.952 . 0 0 "[ . 1 . 2]" 1 657 1 41 GLY HA2 1 42 LYS H . . 3.250 3.058 2.745 3.247 . 0 0 "[ . 1 . 2]" 1 658 1 41 GLY HA3 1 42 LYS H . . 3.250 2.196 2.136 2.393 . 0 0 "[ . 1 . 2]" 1 659 1 42 LYS H 1 42 LYS QB . . 2.890 2.352 2.287 2.466 . 0 0 "[ . 1 . 2]" 1 660 1 42 LYS H 1 42 LYS QD . . 5.500 4.480 2.771 4.779 . 0 0 "[ . 1 . 2]" 1 661 1 42 LYS H 1 42 LYS HG2 . . 4.670 4.520 4.325 4.673 0.003 15 0 "[ . 1 . 2]" 1 662 1 42 LYS H 1 42 LYS QG . . 4.020 3.998 3.858 4.034 0.014 9 0 "[ . 1 . 2]" 1 663 1 42 LYS H 1 42 LYS HG3 . . 4.670 4.476 4.208 4.659 . 0 0 "[ . 1 . 2]" 1 664 1 42 LYS H 1 43 GLY H . . 4.660 4.546 4.455 4.594 . 0 0 "[ . 1 . 2]" 1 665 1 42 LYS H 1 87 PHE QE . . 4.840 4.209 3.403 4.662 . 0 0 "[ . 1 . 2]" 1 666 1 42 LYS H 1 87 PHE HZ . . 4.670 3.727 3.058 4.500 . 0 0 "[ . 1 . 2]" 1 667 1 42 LYS HA 1 42 LYS QD . . 4.280 3.452 2.163 4.220 . 0 0 "[ . 1 . 2]" 1 668 1 42 LYS HA 1 42 LYS HG2 . . 4.120 3.214 2.202 3.891 . 0 0 "[ . 1 . 2]" 1 669 1 42 LYS HA 1 42 LYS QG . . 3.620 2.475 2.180 2.967 . 0 0 "[ . 1 . 2]" 1 670 1 42 LYS HA 1 42 LYS HG3 . . 4.120 2.705 2.239 3.521 . 0 0 "[ . 1 . 2]" 1 671 1 42 LYS HA 1 43 GLY H . . 2.660 2.290 2.192 2.498 . 0 0 "[ . 1 . 2]" 1 672 1 42 LYS HA 1 43 GLY QA . . 4.770 3.951 3.923 3.994 . 0 0 "[ . 1 . 2]" 1 673 1 42 LYS HA 1 87 PHE HZ . . 4.790 3.313 2.517 3.886 . 0 0 "[ . 1 . 2]" 1 674 1 42 LYS QB 1 43 GLY H . . 3.570 3.397 2.279 3.563 . 0 0 "[ . 1 . 2]" 1 675 1 42 LYS QD 1 43 GLY H . . 4.640 3.643 2.194 4.591 . 0 0 "[ . 1 . 2]" 1 676 1 42 LYS HG2 1 43 GLY H . . 4.200 2.931 2.059 4.114 . 0 0 "[ . 1 . 2]" 1 677 1 42 LYS HG3 1 43 GLY H . . 4.200 2.753 1.959 4.198 . 0 0 "[ . 1 . 2]" 1 678 1 43 GLY H 1 44 LYS H . . 4.320 4.256 4.156 4.358 0.038 13 0 "[ . 1 . 2]" 1 679 1 43 GLY H 1 87 PHE QE . . 4.520 3.797 3.209 4.304 . 0 0 "[ . 1 . 2]" 1 680 1 43 GLY H 1 87 PHE HZ . . 4.010 3.703 3.268 4.011 0.001 15 0 "[ . 1 . 2]" 1 681 1 43 GLY QA 1 44 LYS H . . 2.740 2.216 2.178 2.261 . 0 0 "[ . 1 . 2]" 1 682 1 43 GLY QA 1 87 PHE QE . . 4.070 3.053 2.677 3.355 . 0 0 "[ . 1 . 2]" 1 683 1 43 GLY HA2 1 44 LYS H . . 3.130 2.338 2.243 2.815 . 0 0 "[ . 1 . 2]" 1 684 1 43 GLY HA2 1 87 PHE QE . . 4.910 4.394 3.975 4.712 . 0 0 "[ . 1 . 2]" 1 685 1 43 GLY HA2 1 88 GLY H . . 4.640 4.090 3.485 4.619 . 0 0 "[ . 1 . 2]" 1 686 1 43 GLY HA3 1 44 LYS H . . 3.130 2.826 2.338 2.951 . 0 0 "[ . 1 . 2]" 1 687 1 43 GLY HA3 1 87 PHE QE . . 4.910 3.115 2.717 3.448 . 0 0 "[ . 1 . 2]" 1 688 1 43 GLY HA3 1 88 GLY H . . 4.640 3.493 3.051 4.121 . 0 0 "[ . 1 . 2]" 1 689 1 44 LYS H 1 44 LYS HB2 . . 3.810 2.496 2.254 3.680 . 0 0 "[ . 1 . 2]" 1 690 1 44 LYS H 1 44 LYS QB . . 3.130 2.373 2.194 2.829 . 0 0 "[ . 1 . 2]" 1 691 1 44 LYS H 1 44 LYS HB3 . . 3.810 3.510 2.232 3.774 . 0 0 "[ . 1 . 2]" 1 692 1 44 LYS H 1 44 LYS HG2 . . 4.300 3.797 2.355 4.303 0.003 2 0 "[ . 1 . 2]" 1 693 1 44 LYS H 1 44 LYS QG . . 3.620 3.052 2.318 3.667 0.047 11 0 "[ . 1 . 2]" 1 694 1 44 LYS H 1 44 LYS HG3 . . 4.300 3.438 2.674 4.334 0.034 11 0 "[ . 1 . 2]" 1 695 1 44 LYS H 1 45 VAL H . . 4.650 4.525 4.404 4.576 . 0 0 "[ . 1 . 2]" 1 696 1 44 LYS H 1 88 GLY H . . 3.720 2.595 1.885 3.077 . 0 0 "[ . 1 . 2]" 1 697 1 44 LYS H 1 88 GLY HA2 . . 4.320 2.479 1.902 3.112 . 0 0 "[ . 1 . 2]" 1 698 1 44 LYS H 1 88 GLY QA . . 3.720 2.428 1.889 3.031 . 0 0 "[ . 1 . 2]" 1 699 1 44 LYS H 1 88 GLY HA3 . . 4.320 3.522 3.152 4.177 . 0 0 "[ . 1 . 2]" 1 700 1 44 LYS HA 1 44 LYS QD . . 4.240 3.456 2.028 4.112 . 0 0 "[ . 1 . 2]" 1 701 1 44 LYS HA 1 45 VAL H . . 3.020 2.243 2.147 2.409 . 0 0 "[ . 1 . 2]" 1 702 1 44 LYS HA 1 45 VAL HB . . 4.660 4.628 4.582 4.661 0.001 17 0 "[ . 1 . 2]" 1 703 1 44 LYS HA 1 45 VAL MG2 . . 4.260 3.505 3.211 3.715 . 0 0 "[ . 1 . 2]" 1 704 1 44 LYS QB 1 45 VAL H . . 3.500 2.900 2.413 3.505 0.005 11 0 "[ . 1 . 2]" 1 705 1 44 LYS QB 1 46 THR H . . 5.340 4.662 4.406 5.090 . 0 0 "[ . 1 . 2]" 1 706 1 44 LYS QB 1 46 THR MG . . 3.590 3.196 2.898 3.575 . 0 0 "[ . 1 . 2]" 1 707 1 44 LYS HB2 1 45 VAL H . . 4.370 3.991 3.118 4.357 . 0 0 "[ . 1 . 2]" 1 708 1 44 LYS HB2 1 46 THR MG . . 4.260 3.949 2.948 4.260 . 11 0 "[ . 1 . 2]" 1 709 1 44 LYS HB2 1 88 GLY H . . 5.150 3.916 3.449 5.076 . 0 0 "[ . 1 . 2]" 1 710 1 44 LYS HB3 1 45 VAL H . . 4.370 3.051 2.463 4.263 . 0 0 "[ . 1 . 2]" 1 711 1 44 LYS HB3 1 46 THR MG . . 4.260 3.449 3.134 4.272 0.012 15 0 "[ . 1 . 2]" 1 712 1 44 LYS HB3 1 88 GLY H . . 5.150 4.721 3.738 5.148 . 0 0 "[ . 1 . 2]" 1 713 1 44 LYS QG 1 45 VAL H . . 4.340 3.837 2.314 4.338 . 0 0 "[ . 1 . 2]" 1 714 1 44 LYS HG2 1 45 VAL H . . 4.990 4.319 3.575 4.980 . 0 0 "[ . 1 . 2]" 1 715 1 44 LYS HG3 1 45 VAL H . . 4.990 4.542 2.334 4.997 0.007 15 0 "[ . 1 . 2]" 1 716 1 45 VAL H 1 45 VAL HB . . 3.050 2.610 2.529 2.740 . 0 0 "[ . 1 . 2]" 1 717 1 45 VAL H 1 45 VAL MG1 . . 3.970 3.838 3.801 3.898 . 0 0 "[ . 1 . 2]" 1 718 1 45 VAL H 1 45 VAL MG2 . . 3.050 2.652 2.421 2.877 . 0 0 "[ . 1 . 2]" 1 719 1 45 VAL H 1 46 THR H . . 4.460 4.250 4.108 4.373 . 0 0 "[ . 1 . 2]" 1 720 1 45 VAL H 1 46 THR MG . . 4.980 4.180 3.906 4.477 . 0 0 "[ . 1 . 2]" 1 721 1 45 VAL HA 1 45 VAL MG1 . . 3.630 2.354 2.244 2.451 . 0 0 "[ . 1 . 2]" 1 722 1 45 VAL HA 1 45 VAL MG2 . . 3.580 2.369 2.276 2.480 . 0 0 "[ . 1 . 2]" 1 723 1 45 VAL HA 1 46 THR H . . 2.810 2.149 2.139 2.186 . 0 0 "[ . 1 . 2]" 1 724 1 45 VAL HA 1 46 THR MG . . 4.890 3.888 3.720 4.066 . 0 0 "[ . 1 . 2]" 1 725 1 45 VAL HA 1 85 VAL MG1 . . 5.490 4.021 3.710 4.358 . 0 0 "[ . 1 . 2]" 1 726 1 45 VAL HA 1 86 ARG H . . 4.070 3.906 3.728 4.053 . 0 0 "[ . 1 . 2]" 1 727 1 45 VAL HA 1 87 PHE HA . . 4.210 2.931 2.687 3.219 . 0 0 "[ . 1 . 2]" 1 728 1 45 VAL HA 1 88 GLY H . . 4.180 3.952 3.536 4.181 0.001 15 0 "[ . 1 . 2]" 1 729 1 45 VAL HB 1 46 THR H . . 4.460 4.320 4.217 4.410 . 0 0 "[ . 1 . 2]" 1 730 1 45 VAL HB 1 69 TYR HB2 . . 4.520 2.867 2.337 3.305 . 0 0 "[ . 1 . 2]" 1 731 1 45 VAL HB 1 69 TYR HB3 . . 4.510 3.364 2.819 3.796 . 0 0 "[ . 1 . 2]" 1 732 1 45 VAL HB 1 69 TYR QD . . 4.150 3.184 2.829 3.640 . 0 0 "[ . 1 . 2]" 1 733 1 45 VAL HB 1 69 TYR QE . . 4.880 4.051 3.687 4.437 . 0 0 "[ . 1 . 2]" 1 734 1 45 VAL MG1 1 46 THR H . . 3.160 2.833 2.423 3.085 . 0 0 "[ . 1 . 2]" 1 735 1 45 VAL MG1 1 46 THR HA . . 4.750 3.859 3.716 4.011 . 0 0 "[ . 1 . 2]" 1 736 1 45 VAL MG1 1 47 CYS H . . 4.940 4.554 4.418 4.757 . 0 0 "[ . 1 . 2]" 1 737 1 45 VAL MG1 1 69 TYR HB2 . . 4.630 3.121 2.491 3.895 . 0 0 "[ . 1 . 2]" 1 738 1 45 VAL MG1 1 69 TYR HB3 . . 4.510 3.746 2.896 4.349 . 0 0 "[ . 1 . 2]" 1 739 1 45 VAL MG1 1 85 VAL MG1 . . 3.260 2.232 2.042 2.726 . 0 0 "[ . 1 . 2]" 1 740 1 45 VAL MG1 1 86 ARG H . . 4.160 3.290 2.709 3.723 . 0 0 "[ . 1 . 2]" 1 741 1 45 VAL MG2 1 46 THR H . . 4.260 4.140 4.018 4.239 . 0 0 "[ . 1 . 2]" 1 742 1 45 VAL MG2 1 69 TYR HB2 . . 4.720 3.264 2.590 3.737 . 0 0 "[ . 1 . 2]" 1 743 1 45 VAL MG2 1 69 TYR HB3 . . 5.010 4.341 3.877 4.734 . 0 0 "[ . 1 . 2]" 1 744 1 45 VAL MG2 1 69 TYR QD . . 3.860 2.986 2.499 3.615 . 0 0 "[ . 1 . 2]" 1 745 1 45 VAL MG2 1 69 TYR QE . . 3.730 3.348 2.543 3.727 . 0 0 "[ . 1 . 2]" 1 746 1 45 VAL MG2 1 87 PHE HA . . 4.390 2.980 2.520 3.308 . 0 0 "[ . 1 . 2]" 1 747 1 45 VAL MG2 1 87 PHE HB2 . . 5.050 3.155 2.465 3.674 . 0 0 "[ . 1 . 2]" 1 748 1 45 VAL MG2 1 87 PHE QB . . 4.270 3.098 2.444 3.576 . 0 0 "[ . 1 . 2]" 1 749 1 45 VAL MG2 1 87 PHE HB3 . . 5.050 4.552 4.041 4.907 . 0 0 "[ . 1 . 2]" 1 750 1 45 VAL MG2 1 87 PHE QD . . 3.170 2.087 1.858 2.378 . 0 0 "[ . 1 . 2]" 1 751 1 45 VAL MG2 1 87 PHE QE . . 4.140 3.342 2.698 3.904 . 0 0 "[ . 1 . 2]" 1 752 1 45 VAL MG2 1 88 GLY H . . 4.650 4.127 3.587 4.462 . 0 0 "[ . 1 . 2]" 1 753 1 46 THR H 1 46 THR MG . . 3.490 2.728 2.434 2.954 . 0 0 "[ . 1 . 2]" 1 754 1 46 THR H 1 86 ARG HB2 . . 5.500 5.332 5.114 5.503 0.003 5 0 "[ . 1 . 2]" 1 755 1 46 THR H 1 87 PHE HA . . 4.570 4.302 4.033 4.572 0.002 8 0 "[ . 1 . 2]" 1 756 1 46 THR H 1 88 GLY H . . 5.160 5.025 4.712 5.161 0.001 12 0 "[ . 1 . 2]" 1 757 1 46 THR HA 1 46 THR MG . . 3.180 2.332 2.209 2.476 . 0 0 "[ . 1 . 2]" 1 758 1 46 THR HA 1 47 CYS H . . 2.860 2.202 2.177 2.237 . 0 0 "[ . 1 . 2]" 1 759 1 46 THR HA 1 61 VAL MG2 . . 4.070 3.298 2.888 3.700 . 0 0 "[ . 1 . 2]" 1 760 1 46 THR HB 1 47 CYS H . . 3.120 2.990 2.852 3.108 . 0 0 "[ . 1 . 2]" 1 761 1 46 THR MG 1 47 CYS H . . 3.990 3.871 3.703 3.993 0.003 15 0 "[ . 1 . 2]" 1 762 1 47 CYS H 1 47 CYS HB2 . . 3.860 3.217 3.121 3.348 . 0 0 "[ . 1 . 2]" 1 763 1 47 CYS H 1 47 CYS HB3 . . 3.570 2.541 2.480 2.609 . 0 0 "[ . 1 . 2]" 1 764 1 47 CYS H 1 48 THR HA . . 5.100 5.008 4.951 5.068 . 0 0 "[ . 1 . 2]" 1 765 1 47 CYS H 1 59 ALA MB . . 4.570 4.339 4.079 4.526 . 0 0 "[ . 1 . 2]" 1 766 1 47 CYS H 1 61 VAL MG2 . . 3.680 2.822 2.304 3.130 . 0 0 "[ . 1 . 2]" 1 767 1 47 CYS H 1 71 ILE MD . . 4.600 3.782 3.198 4.143 . 0 0 "[ . 1 . 2]" 1 768 1 47 CYS H 1 71 ILE MG . . 5.480 4.701 4.351 4.987 . 0 0 "[ . 1 . 2]" 1 769 1 47 CYS HA 1 48 THR H . . 2.890 2.238 2.201 2.261 . 0 0 "[ . 1 . 2]" 1 770 1 47 CYS HA 1 48 THR HB . . 4.830 4.531 4.416 4.646 . 0 0 "[ . 1 . 2]" 1 771 1 47 CYS HA 1 83 ILE MG . . 4.520 3.529 3.407 3.792 . 0 0 "[ . 1 . 2]" 1 772 1 47 CYS HA 1 85 VAL HA . . 3.830 3.079 2.876 3.247 . 0 0 "[ . 1 . 2]" 1 773 1 47 CYS HA 1 85 VAL MG1 . . 4.610 4.039 3.738 4.390 . 0 0 "[ . 1 . 2]" 1 774 1 47 CYS HA 1 85 VAL MG2 . . 4.500 3.146 2.753 3.536 . 0 0 "[ . 1 . 2]" 1 775 1 47 CYS HB2 1 48 THR H . . 4.030 3.906 3.778 4.016 . 0 0 "[ . 1 . 2]" 1 776 1 47 CYS HB2 1 59 ALA MB . . 4.290 4.152 3.951 4.289 . 0 0 "[ . 1 . 2]" 1 777 1 47 CYS HB2 1 61 VAL MG2 . . 3.810 3.650 3.131 3.803 . 0 0 "[ . 1 . 2]" 1 778 1 47 CYS HB2 1 71 ILE MD . . 3.610 1.938 1.790 2.097 . 0 0 "[ . 1 . 2]" 1 779 1 47 CYS HB2 1 71 ILE MG . . 3.920 3.087 2.764 3.538 . 0 0 "[ . 1 . 2]" 1 780 1 47 CYS HB2 1 85 VAL MG1 . . 4.480 3.999 3.629 4.422 . 0 0 "[ . 1 . 2]" 1 781 1 47 CYS HB2 1 85 VAL MG2 . . 4.680 3.363 2.987 3.871 . 0 0 "[ . 1 . 2]" 1 782 1 47 CYS HB3 1 48 THR H . . 4.300 4.049 3.923 4.128 . 0 0 "[ . 1 . 2]" 1 783 1 47 CYS HB3 1 59 ALA MB . . 3.370 2.880 2.743 2.989 . 0 0 "[ . 1 . 2]" 1 784 1 47 CYS HB3 1 61 VAL MG2 . . 2.910 2.705 2.369 2.909 . 0 0 "[ . 1 . 2]" 1 785 1 47 CYS HB3 1 71 ILE MD . . 3.870 2.569 2.216 3.119 . 0 0 "[ . 1 . 2]" 1 786 1 47 CYS HB3 1 71 ILE MG . . 3.850 2.553 2.150 2.862 . 0 0 "[ . 1 . 2]" 1 787 1 48 THR H 1 48 THR HB . . 3.570 2.861 2.787 2.955 . 0 0 "[ . 1 . 2]" 1 788 1 48 THR H 1 48 THR MG . . 4.560 3.932 3.876 3.986 . 0 0 "[ . 1 . 2]" 1 789 1 48 THR H 1 49 VAL H . . 4.620 3.947 3.870 4.047 . 0 0 "[ . 1 . 2]" 1 790 1 48 THR H 1 49 VAL HA . . 4.580 4.523 4.462 4.579 . 0 0 "[ . 1 . 2]" 1 791 1 48 THR H 1 83 ILE HA . . 4.260 3.893 3.718 4.157 . 0 0 "[ . 1 . 2]" 1 792 1 48 THR H 1 83 ILE MG . . 4.240 2.651 2.405 2.941 . 0 0 "[ . 1 . 2]" 1 793 1 48 THR H 1 84 TYR H . . 3.820 2.691 2.474 2.837 . 0 0 "[ . 1 . 2]" 1 794 1 48 THR H 1 84 TYR HB2 . . 3.840 3.491 3.320 3.653 . 0 0 "[ . 1 . 2]" 1 795 1 48 THR H 1 84 TYR HB3 . . 4.990 4.848 4.717 4.989 . 0 0 "[ . 1 . 2]" 1 796 1 48 THR H 1 85 VAL MG2 . . 4.520 3.853 3.509 4.255 . 0 0 "[ . 1 . 2]" 1 797 1 48 THR HA 1 48 THR MG . . 2.830 2.374 2.210 2.491 . 0 0 "[ . 1 . 2]" 1 798 1 48 THR HA 1 49 VAL H . . 2.870 2.160 2.143 2.180 . 0 0 "[ . 1 . 2]" 1 799 1 48 THR HA 1 49 VAL HB . . 4.710 4.669 4.608 4.706 . 0 0 "[ . 1 . 2]" 1 800 1 48 THR HA 1 49 VAL MG2 . . 4.130 3.805 3.662 3.935 . 0 0 "[ . 1 . 2]" 1 801 1 48 THR HB 1 49 VAL H . . 4.470 4.372 4.280 4.439 . 0 0 "[ . 1 . 2]" 1 802 1 48 THR HB 1 84 TYR H . . 4.280 2.926 2.750 3.121 . 0 0 "[ . 1 . 2]" 1 803 1 48 THR HB 1 84 TYR HB2 . . 3.540 2.120 1.999 2.231 . 0 0 "[ . 1 . 2]" 1 804 1 48 THR HB 1 84 TYR HB3 . . 3.950 3.821 3.673 3.948 . 0 0 "[ . 1 . 2]" 1 805 1 48 THR HB 1 84 TYR QD . . 3.980 2.426 2.035 3.097 . 0 0 "[ . 1 . 2]" 1 806 1 48 THR MG 1 49 VAL H . . 3.420 2.988 2.746 3.127 . 0 0 "[ . 1 . 2]" 1 807 1 48 THR MG 1 50 LEU H . . 4.500 4.186 3.969 4.432 . 0 0 "[ . 1 . 2]" 1 808 1 48 THR MG 1 50 LEU HA . . 4.620 4.013 3.907 4.176 . 0 0 "[ . 1 . 2]" 1 809 1 48 THR MG 1 56 GLU HA . . 4.190 4.022 3.658 4.149 . 0 0 "[ . 1 . 2]" 1 810 1 48 THR MG 1 56 GLU QB . . 3.440 2.945 2.278 3.358 . 0 0 "[ . 1 . 2]" 1 811 1 48 THR MG 1 56 GLU QG . . 3.250 3.105 2.858 3.251 0.001 19 0 "[ . 1 . 2]" 1 812 1 48 THR MG 1 84 TYR H . . 4.320 4.009 3.724 4.266 . 0 0 "[ . 1 . 2]" 1 813 1 48 THR MG 1 84 TYR QD . . 4.220 2.573 2.169 3.220 . 0 0 "[ . 1 . 2]" 1 814 1 49 VAL H 1 49 VAL HB . . 3.210 2.529 2.468 2.574 . 0 0 "[ . 1 . 2]" 1 815 1 49 VAL H 1 49 VAL MG1 . . 4.020 3.782 3.765 3.795 . 0 0 "[ . 1 . 2]" 1 816 1 49 VAL H 1 49 VAL MG2 . . 3.580 2.345 2.216 2.471 . 0 0 "[ . 1 . 2]" 1 817 1 49 VAL H 1 50 LEU H . . 4.440 4.415 4.376 4.444 0.004 15 0 "[ . 1 . 2]" 1 818 1 49 VAL H 1 59 ALA H . . 4.850 4.537 4.039 4.847 . 0 0 "[ . 1 . 2]" 1 819 1 49 VAL H 1 59 ALA MB . . 4.840 2.972 2.563 3.451 . 0 0 "[ . 1 . 2]" 1 820 1 49 VAL H 1 83 ILE HA . . 5.340 4.837 4.707 5.048 . 0 0 "[ . 1 . 2]" 1 821 1 49 VAL HA 1 49 VAL MG1 . . 3.480 2.349 2.237 2.449 . 0 0 "[ . 1 . 2]" 1 822 1 49 VAL HA 1 49 VAL MG2 . . 3.400 2.361 2.276 2.464 . 0 0 "[ . 1 . 2]" 1 823 1 49 VAL HA 1 50 LEU H . . 2.960 2.143 2.140 2.149 . 0 0 "[ . 1 . 2]" 1 824 1 49 VAL HA 1 82 VAL H . . 5.140 4.865 4.555 5.125 . 0 0 "[ . 1 . 2]" 1 825 1 49 VAL HA 1 83 ILE HG13 . . 4.620 3.545 3.287 3.877 . 0 0 "[ . 1 . 2]" 1 826 1 49 VAL HA 1 83 ILE MG . . 4.810 3.509 3.233 3.910 . 0 0 "[ . 1 . 2]" 1 827 1 49 VAL HB 1 50 LEU H . . 4.630 4.296 4.241 4.374 . 0 0 "[ . 1 . 2]" 1 828 1 49 VAL HB 1 57 ALA H . . 3.860 3.680 3.084 3.858 . 0 0 "[ . 1 . 2]" 1 829 1 49 VAL HB 1 57 ALA MB . . 3.450 2.428 2.009 2.932 . 0 0 "[ . 1 . 2]" 1 830 1 49 VAL HB 1 59 ALA MB . . 3.930 3.679 3.381 3.916 . 0 0 "[ . 1 . 2]" 1 831 1 49 VAL MG1 1 50 LEU H . . 3.710 2.823 2.633 3.040 . 0 0 "[ . 1 . 2]" 1 832 1 49 VAL MG1 1 51 THR HA . . 4.790 3.929 3.691 4.076 . 0 0 "[ . 1 . 2]" 1 833 1 49 VAL MG1 1 57 ALA H . . 4.670 4.068 3.643 4.325 . 0 0 "[ . 1 . 2]" 1 834 1 49 VAL MG1 1 73 TYR QB . . 4.100 3.068 2.723 3.448 . 0 0 "[ . 1 . 2]" 1 835 1 49 VAL MG1 1 73 TYR QD . . 4.380 3.262 2.907 3.538 . 0 0 "[ . 1 . 2]" 1 836 1 49 VAL MG1 1 81 TYR HB2 . . 4.720 4.539 4.176 4.700 . 0 0 "[ . 1 . 2]" 1 837 1 49 VAL MG1 1 81 TYR HB3 . . 4.130 3.220 2.859 3.358 . 0 0 "[ . 1 . 2]" 1 838 1 49 VAL MG1 1 81 TYR QD . . 3.280 2.228 2.108 2.382 . 0 0 "[ . 1 . 2]" 1 839 1 49 VAL MG1 1 81 TYR QE . . 3.780 3.134 2.872 3.383 . 0 0 "[ . 1 . 2]" 1 840 1 49 VAL MG1 1 83 ILE HG12 . . 4.180 3.203 2.852 3.667 . 0 0 "[ . 1 . 2]" 1 841 1 49 VAL MG1 1 83 ILE HG13 . . 4.400 3.667 3.410 4.083 . 0 0 "[ . 1 . 2]" 1 842 1 49 VAL MG2 1 50 LEU H . . 4.240 4.132 4.081 4.181 . 0 0 "[ . 1 . 2]" 1 843 1 49 VAL MG2 1 57 ALA MB . . 4.090 3.666 3.163 4.093 0.003 19 0 "[ . 1 . 2]" 1 844 1 49 VAL MG2 1 59 ALA H . . 4.820 4.490 4.109 4.756 . 0 0 "[ . 1 . 2]" 1 845 1 49 VAL MG2 1 59 ALA MB . . 3.210 2.090 1.927 2.381 . 0 0 "[ . 1 . 2]" 1 846 1 49 VAL MG2 1 73 TYR QB . . 3.730 2.210 1.872 2.640 . 0 0 "[ . 1 . 2]" 1 847 1 50 LEU H 1 50 LEU HB2 . . 3.580 2.651 2.460 2.858 . 0 0 "[ . 1 . 2]" 1 848 1 50 LEU H 1 50 LEU QB . . 3.130 2.371 2.316 2.424 . 0 0 "[ . 1 . 2]" 1 849 1 50 LEU H 1 50 LEU HB3 . . 3.580 2.705 2.517 2.870 . 0 0 "[ . 1 . 2]" 1 850 1 50 LEU H 1 50 LEU QD . . 4.310 3.776 3.555 3.844 . 0 0 "[ . 1 . 2]" 1 851 1 50 LEU H 1 50 LEU HG . . 4.720 4.532 4.452 4.721 0.001 1 0 "[ . 1 . 2]" 1 852 1 50 LEU H 1 51 THR H . . 4.640 4.330 4.204 4.507 . 0 0 "[ . 1 . 2]" 1 853 1 50 LEU H 1 81 TYR HA . . 5.390 4.758 4.601 4.894 . 0 0 "[ . 1 . 2]" 1 854 1 50 LEU H 1 82 VAL H . . 3.640 3.123 2.918 3.272 . 0 0 "[ . 1 . 2]" 1 855 1 50 LEU H 1 82 VAL HA . . 5.500 4.764 4.646 4.907 . 0 0 "[ . 1 . 2]" 1 856 1 50 LEU H 1 82 VAL HB . . 4.760 3.981 3.666 4.253 . 0 0 "[ . 1 . 2]" 1 857 1 50 LEU H 1 82 VAL MG1 . . 4.460 4.351 4.106 4.461 0.001 12 0 "[ . 1 . 2]" 1 858 1 50 LEU H 1 84 TYR H . . 4.690 4.591 4.372 4.690 . 0 0 "[ . 1 . 2]" 1 859 1 50 LEU HA 1 50 LEU MD1 . . 4.040 2.910 1.974 3.793 . 0 0 "[ . 1 . 2]" 1 860 1 50 LEU HA 1 50 LEU QD . . 3.440 2.447 1.903 2.991 . 0 0 "[ . 1 . 2]" 1 861 1 50 LEU HA 1 50 LEU MD2 . . 4.040 3.252 1.950 3.905 . 0 0 "[ . 1 . 2]" 1 862 1 50 LEU HA 1 51 THR H . . 2.820 2.148 2.138 2.175 . 0 0 "[ . 1 . 2]" 1 863 1 50 LEU HA 1 51 THR MG . . 3.940 3.741 3.435 3.907 . 0 0 "[ . 1 . 2]" 1 864 1 50 LEU HA 1 55 THR H . . 5.240 5.183 5.027 5.239 . 0 0 "[ . 1 . 2]" 1 865 1 50 LEU HA 1 56 GLU HA . . 3.650 2.556 2.003 2.993 . 0 0 "[ . 1 . 2]" 1 866 1 50 LEU HA 1 57 ALA H . . 4.080 3.250 2.833 3.647 . 0 0 "[ . 1 . 2]" 1 867 1 50 LEU QB 1 50 LEU QD . . 2.850 1.888 1.807 2.009 . 0 0 "[ . 1 . 2]" 1 868 1 50 LEU QB 1 51 THR H . . 3.990 3.807 3.576 3.898 . 0 0 "[ . 1 . 2]" 1 869 1 50 LEU QB 1 82 VAL H . . 3.410 2.520 2.279 2.795 . 0 0 "[ . 1 . 2]" 1 870 1 50 LEU QB 1 82 VAL HB . . 3.110 2.015 1.978 2.117 . 0 0 "[ . 1 . 2]" 1 871 1 50 LEU QB 1 82 VAL MG2 . . 4.430 3.409 3.276 3.655 . 0 0 "[ . 1 . 2]" 1 872 1 50 LEU QB 1 84 TYR QD . . 5.340 3.728 3.426 4.005 . 0 0 "[ . 1 . 2]" 1 873 1 50 LEU QB 1 84 TYR QE . . 3.680 3.024 2.615 3.394 . 0 0 "[ . 1 . 2]" 1 874 1 50 LEU HB2 1 50 LEU MD1 . . 3.650 2.336 2.105 3.189 . 0 0 "[ . 1 . 2]" 1 875 1 50 LEU HB2 1 50 LEU MD2 . . 3.650 2.764 2.268 3.188 . 0 0 "[ . 1 . 2]" 1 876 1 50 LEU HB2 1 51 THR H . . 4.540 4.431 4.253 4.546 0.006 13 0 "[ . 1 . 2]" 1 877 1 50 LEU HB2 1 82 VAL H . . 4.070 4.032 3.737 4.073 0.003 18 0 "[ . 1 . 2]" 1 878 1 50 LEU HB2 1 82 VAL MG1 . . 4.660 3.635 3.212 3.950 . 0 0 "[ . 1 . 2]" 1 879 1 50 LEU HB2 1 82 VAL MG2 . . 5.090 4.686 4.478 4.963 . 0 0 "[ . 1 . 2]" 1 880 1 50 LEU HB2 1 84 TYR QE . . 4.530 3.105 2.657 3.536 . 0 0 "[ . 1 . 2]" 1 881 1 50 LEU HB3 1 50 LEU MD1 . . 3.650 2.758 2.257 3.196 . 0 0 "[ . 1 . 2]" 1 882 1 50 LEU HB3 1 50 LEU MD2 . . 3.650 2.291 2.027 3.179 . 0 0 "[ . 1 . 2]" 1 883 1 50 LEU HB3 1 51 THR H . . 4.540 4.154 3.809 4.308 . 0 0 "[ . 1 . 2]" 1 884 1 50 LEU HB3 1 82 VAL H . . 4.070 2.548 2.293 2.848 . 0 0 "[ . 1 . 2]" 1 885 1 50 LEU HB3 1 82 VAL MG1 . . 4.660 3.393 3.104 3.630 . 0 0 "[ . 1 . 2]" 1 886 1 50 LEU HB3 1 82 VAL MG2 . . 5.090 3.502 3.350 3.762 . 0 0 "[ . 1 . 2]" 1 887 1 50 LEU HB3 1 84 TYR QE . . 4.530 4.193 3.812 4.522 . 0 0 "[ . 1 . 2]" 1 888 1 50 LEU QD 1 51 THR H . . 3.780 2.862 1.848 3.295 . 0 0 "[ . 1 . 2]" 1 889 1 50 LEU QD 1 54 GLY H . . 4.180 3.711 3.210 4.181 0.001 8 0 "[ . 1 . 2]" 1 890 1 50 LEU QD 1 54 GLY QA . . 3.830 3.362 2.974 3.737 . 0 0 "[ . 1 . 2]" 1 891 1 50 LEU QD 1 55 THR H . . 4.420 3.416 2.930 4.056 . 0 0 "[ . 1 . 2]" 1 892 1 50 LEU QD 1 56 GLU HA . . 4.160 3.119 2.029 4.149 . 0 0 "[ . 1 . 2]" 1 893 1 50 LEU QD 1 56 GLU QG . . 3.850 3.208 1.879 3.854 0.004 19 0 "[ . 1 . 2]" 1 894 1 50 LEU QD 1 82 VAL HB . . 3.850 2.503 1.904 3.511 . 0 0 "[ . 1 . 2]" 1 895 1 50 LEU QD 1 84 TYR QD . . 4.450 3.743 3.264 4.049 . 0 0 "[ . 1 . 2]" 1 896 1 50 LEU QD 1 84 TYR QE . . 3.830 2.218 1.781 2.886 . 0 0 "[ . 1 . 2]" 1 897 1 50 LEU HG 1 51 THR H . . 4.580 3.572 2.887 4.570 . 0 0 "[ . 1 . 2]" 1 898 1 50 LEU HG 1 84 TYR QE . . 5.100 4.386 2.879 5.095 . 0 0 "[ . 1 . 2]" 1 899 1 51 THR H 1 51 THR MG . . 3.200 2.272 2.037 2.468 . 0 0 "[ . 1 . 2]" 1 900 1 51 THR H 1 55 THR H . . 4.120 3.751 3.472 3.987 . 0 0 "[ . 1 . 2]" 1 901 1 51 THR H 1 56 GLU HA . . 3.850 3.217 2.493 3.693 . 0 0 "[ . 1 . 2]" 1 902 1 51 THR H 1 57 ALA H . . 4.770 3.841 3.455 4.421 . 0 0 "[ . 1 . 2]" 1 903 1 51 THR HA 1 51 THR MG . . 3.480 2.353 2.281 2.463 . 0 0 "[ . 1 . 2]" 1 904 1 51 THR HA 1 52 PRO HD2 . . 3.580 2.336 2.308 2.373 . 0 0 "[ . 1 . 2]" 1 905 1 51 THR HA 1 52 PRO QD . . 3.040 2.054 2.040 2.075 . 0 0 "[ . 1 . 2]" 1 906 1 51 THR HA 1 52 PRO HD3 . . 3.580 2.279 2.272 2.290 . 0 0 "[ . 1 . 2]" 1 907 1 51 THR HA 1 52 PRO HG2 . . 4.610 4.461 4.439 4.491 . 0 0 "[ . 1 . 2]" 1 908 1 51 THR HA 1 52 PRO HG3 . . 4.640 4.435 4.421 4.457 . 0 0 "[ . 1 . 2]" 1 909 1 51 THR HA 1 81 TYR HA . . 4.050 3.442 3.106 3.655 . 0 0 "[ . 1 . 2]" 1 910 1 51 THR HA 1 81 TYR QD . . 4.100 3.375 2.928 3.927 . 0 0 "[ . 1 . 2]" 1 911 1 51 THR HA 1 81 TYR QE . . 4.370 3.459 2.832 4.020 . 0 0 "[ . 1 . 2]" 1 912 1 51 THR HA 1 82 VAL H . . 4.710 4.355 4.087 4.490 . 0 0 "[ . 1 . 2]" 1 913 1 51 THR HB 1 52 PRO HD2 . . 3.720 2.077 2.011 2.145 . 0 0 "[ . 1 . 2]" 1 914 1 51 THR HB 1 52 PRO QD . . 3.180 2.062 1.999 2.129 . 0 0 "[ . 1 . 2]" 1 915 1 51 THR HB 1 52 PRO HD3 . . 3.720 3.516 3.458 3.579 . 0 0 "[ . 1 . 2]" 1 916 1 51 THR HB 1 52 PRO HG2 . . 4.600 3.860 3.781 3.935 . 0 0 "[ . 1 . 2]" 1 917 1 51 THR HB 1 52 PRO HG3 . . 4.800 4.733 4.666 4.787 . 0 0 "[ . 1 . 2]" 1 918 1 51 THR HB 1 53 ASP H . . 4.190 2.566 2.422 2.764 . 0 0 "[ . 1 . 2]" 1 919 1 51 THR HB 1 81 TYR QE . . 4.660 4.119 3.687 4.652 . 0 0 "[ . 1 . 2]" 1 920 1 51 THR HG1 1 55 THR H . . 3.360 2.392 1.907 3.021 . 0 0 "[ . 1 . 2]" 1 921 1 51 THR MG 1 52 PRO HD2 . . 4.130 3.195 2.975 3.391 . 0 0 "[ . 1 . 2]" 1 922 1 51 THR MG 1 52 PRO QD . . 3.550 3.062 2.868 3.240 . 0 0 "[ . 1 . 2]" 1 923 1 51 THR MG 1 52 PRO HD3 . . 4.130 3.929 3.759 4.110 . 0 0 "[ . 1 . 2]" 1 924 1 51 THR MG 1 53 ASP H . . 4.500 4.098 4.058 4.126 . 0 0 "[ . 1 . 2]" 1 925 1 51 THR MG 1 55 THR H . . 4.600 4.266 3.967 4.571 . 0 0 "[ . 1 . 2]" 1 926 1 51 THR MG 1 57 ALA H . . 4.090 3.712 3.072 4.089 . 0 0 "[ . 1 . 2]" 1 927 1 51 THR MG 1 81 TYR QD . . 4.780 3.517 2.958 4.135 . 0 0 "[ . 1 . 2]" 1 928 1 51 THR MG 1 81 TYR QE . . 3.500 2.437 2.028 3.281 . 0 0 "[ . 1 . 2]" 1 929 1 52 PRO HA 1 53 ASP HA . . 4.800 4.691 4.649 4.738 . 0 0 "[ . 1 . 2]" 1 930 1 52 PRO HA 1 54 GLY H . . 4.040 3.903 3.392 4.040 . 0 0 "[ . 1 . 2]" 1 931 1 52 PRO HA 1 80 THR H . . 4.370 4.199 3.866 4.360 . 0 0 "[ . 1 . 2]" 1 932 1 52 PRO QB 1 53 ASP H . . 3.890 3.682 3.578 3.726 . 0 0 "[ . 1 . 2]" 1 933 1 52 PRO QB 1 79 GLY QA . . 4.020 2.864 2.447 3.217 . 0 0 "[ . 1 . 2]" 1 934 1 52 PRO QB 1 80 THR H . . 3.700 1.971 1.861 2.098 . 0 0 "[ . 1 . 2]" 1 935 1 52 PRO HB2 1 53 ASP H . . 4.570 3.916 3.786 3.973 . 0 0 "[ . 1 . 2]" 1 936 1 52 PRO HB2 1 80 THR H . . 4.470 2.961 2.653 3.174 . 0 0 "[ . 1 . 2]" 1 937 1 52 PRO HB3 1 53 ASP H . . 4.570 4.476 4.403 4.508 . 0 0 "[ . 1 . 2]" 1 938 1 52 PRO HB3 1 80 THR H . . 4.470 2.002 1.901 2.141 . 0 0 "[ . 1 . 2]" 1 939 1 52 PRO QD 1 53 ASP H . . 4.070 2.893 2.770 2.956 . 0 0 "[ . 1 . 2]" 1 940 1 52 PRO QD 1 81 TYR HA . . 4.100 2.829 2.648 2.992 . 0 0 "[ . 1 . 2]" 1 941 1 52 PRO QD 1 81 TYR QD . . 4.850 2.861 2.631 3.192 . 0 0 "[ . 1 . 2]" 1 942 1 52 PRO QD 1 81 TYR QE . . 3.970 2.834 2.621 3.225 . 0 0 "[ . 1 . 2]" 1 943 1 52 PRO HD2 1 53 ASP H . . 4.680 2.967 2.831 3.038 . 0 0 "[ . 1 . 2]" 1 944 1 52 PRO HD2 1 81 TYR HA . . 4.740 4.499 4.259 4.659 . 0 0 "[ . 1 . 2]" 1 945 1 52 PRO HD2 1 81 TYR QE . . 4.550 3.287 2.926 3.786 . 0 0 "[ . 1 . 2]" 1 946 1 52 PRO HD3 1 53 ASP H . . 4.680 4.011 3.939 4.048 . 0 0 "[ . 1 . 2]" 1 947 1 52 PRO HD3 1 81 TYR HA . . 4.740 2.859 2.674 3.029 . 0 0 "[ . 1 . 2]" 1 948 1 52 PRO HD3 1 81 TYR QE . . 4.550 3.102 2.809 3.495 . 0 0 "[ . 1 . 2]" 1 949 1 52 PRO HG2 1 53 ASP H . . 4.860 3.256 3.026 3.362 . 0 0 "[ . 1 . 2]" 1 950 1 52 PRO HG2 1 79 GLY QA . . 4.180 3.235 2.956 3.408 . 0 0 "[ . 1 . 2]" 1 951 1 52 PRO HG2 1 80 THR H . . 4.290 4.027 3.519 4.291 0.001 7 0 "[ . 1 . 2]" 1 952 1 52 PRO HG2 1 81 TYR QE . . 4.390 3.799 3.491 4.344 . 0 0 "[ . 1 . 2]" 1 953 1 52 PRO HG3 1 53 ASP H . . 4.730 4.548 4.371 4.629 . 0 0 "[ . 1 . 2]" 1 954 1 52 PRO HG3 1 79 GLY H . . 4.830 4.359 4.011 4.554 . 0 0 "[ . 1 . 2]" 1 955 1 52 PRO HG3 1 79 GLY HA2 . . 4.790 3.882 3.669 4.030 . 0 0 "[ . 1 . 2]" 1 956 1 52 PRO HG3 1 79 GLY QA . . 4.000 2.165 1.997 2.313 . 0 0 "[ . 1 . 2]" 1 957 1 52 PRO HG3 1 79 GLY HA3 . . 4.790 2.177 2.006 2.327 . 0 0 "[ . 1 . 2]" 1 958 1 52 PRO HG3 1 80 THR H . . 3.760 2.755 2.023 3.348 . 0 0 "[ . 1 . 2]" 1 959 1 52 PRO HG3 1 81 TYR QE . . 4.160 2.729 2.435 3.240 . 0 0 "[ . 1 . 2]" 1 960 1 53 ASP H 1 53 ASP HB2 . . 3.900 2.301 2.197 2.465 . 0 0 "[ . 1 . 2]" 1 961 1 53 ASP H 1 53 ASP HB3 . . 3.900 3.239 2.784 3.606 . 0 0 "[ . 1 . 2]" 1 962 1 53 ASP H 1 54 GLY H . . 3.170 2.345 2.242 2.468 . 0 0 "[ . 1 . 2]" 1 963 1 53 ASP H 1 54 GLY QA . . 4.820 4.326 4.251 4.403 . 0 0 "[ . 1 . 2]" 1 964 1 53 ASP QB 1 54 GLY H . . 4.180 2.958 2.778 3.489 . 0 0 "[ . 1 . 2]" 1 965 1 53 ASP QB 1 55 THR H . . 4.020 3.316 3.121 3.590 . 0 0 "[ . 1 . 2]" 1 966 1 53 ASP HB2 1 54 GLY H . . 4.790 3.426 2.974 3.858 . 0 0 "[ . 1 . 2]" 1 967 1 53 ASP HB2 1 55 THR H . . 4.670 3.979 3.416 4.657 . 0 0 "[ . 1 . 2]" 1 968 1 53 ASP HB3 1 54 GLY H . . 4.790 3.435 2.865 4.128 . 0 0 "[ . 1 . 2]" 1 969 1 53 ASP HB3 1 55 THR H . . 4.670 3.839 3.181 4.434 . 0 0 "[ . 1 . 2]" 1 970 1 54 GLY H 1 55 THR H . . 3.200 2.004 1.839 2.494 . 0 0 "[ . 1 . 2]" 1 971 1 55 THR H 1 55 THR HB . . 4.080 3.782 3.575 3.865 . 0 0 "[ . 1 . 2]" 1 972 1 55 THR H 1 55 THR MG . . 3.440 2.898 2.057 3.398 . 0 0 "[ . 1 . 2]" 1 973 1 55 THR H 1 56 GLU H . . 4.450 4.423 4.301 4.457 0.007 14 0 "[ . 1 . 2]" 1 974 1 55 THR HA 1 55 THR MG . . 3.040 2.400 2.075 3.111 0.071 3 0 "[ . 1 . 2]" 1 975 1 55 THR HA 1 56 GLU HA . . 4.940 4.369 4.342 4.413 . 0 0 "[ . 1 . 2]" 1 976 1 55 THR HB 1 56 GLU H . . 3.290 2.819 2.348 3.290 . 3 0 "[ . 1 . 2]" 1 977 1 55 THR MG 1 56 GLU H . . 3.860 3.741 3.412 3.860 . 0 0 "[ . 1 . 2]" 1 978 1 56 GLU H 1 56 GLU HB2 . . 3.780 2.866 2.295 3.781 0.001 7 0 "[ . 1 . 2]" 1 979 1 56 GLU H 1 56 GLU HB3 . . 3.780 3.340 2.540 3.690 . 0 0 "[ . 1 . 2]" 1 980 1 56 GLU H 1 56 GLU HG2 . . 4.140 3.672 2.147 4.143 0.003 3 0 "[ . 1 . 2]" 1 981 1 56 GLU H 1 56 GLU QG . . 3.450 2.815 2.106 3.305 . 0 0 "[ . 1 . 2]" 1 982 1 56 GLU H 1 56 GLU HG3 . . 4.140 3.229 2.125 4.007 . 0 0 "[ . 1 . 2]" 1 983 1 56 GLU H 1 57 ALA H . . 4.630 4.476 4.307 4.598 . 0 0 "[ . 1 . 2]" 1 984 1 56 GLU HA 1 56 GLU HG2 . . 4.140 3.266 2.718 4.224 0.084 15 0 "[ . 1 . 2]" 1 985 1 56 GLU HA 1 56 GLU QG . . 3.560 2.732 2.291 3.432 . 0 0 "[ . 1 . 2]" 1 986 1 56 GLU HA 1 56 GLU HG3 . . 4.140 3.059 2.320 4.191 0.051 14 0 "[ . 1 . 2]" 1 987 1 56 GLU HA 1 57 ALA H . . 2.840 2.217 2.139 2.391 . 0 0 "[ . 1 . 2]" 1 988 1 56 GLU HA 1 57 ALA HA . . 5.310 4.402 4.383 4.440 . 0 0 "[ . 1 . 2]" 1 989 1 56 GLU HA 1 57 ALA MB . . 4.070 3.917 3.796 4.013 . 0 0 "[ . 1 . 2]" 1 990 1 56 GLU QB 1 57 ALA H . . 3.750 3.016 2.470 3.481 . 0 0 "[ . 1 . 2]" 1 991 1 56 GLU HB2 1 57 ALA H . . 4.540 3.741 2.499 4.432 . 0 0 "[ . 1 . 2]" 1 992 1 56 GLU HB3 1 57 ALA H . . 4.540 3.523 2.691 4.336 . 0 0 "[ . 1 . 2]" 1 993 1 56 GLU HG2 1 57 ALA H . . 4.730 4.389 3.575 4.736 0.006 15 0 "[ . 1 . 2]" 1 994 1 56 GLU HG3 1 57 ALA H . . 4.730 4.477 4.074 4.733 0.003 3 0 "[ . 1 . 2]" 1 995 1 57 ALA H 1 57 ALA MB . . 3.050 2.370 2.111 2.574 . 0 0 "[ . 1 . 2]" 1 996 1 57 ALA H 1 58 GLU H . . 4.750 4.502 4.403 4.582 . 0 0 "[ . 1 . 2]" 1 997 1 57 ALA HA 1 58 GLU H . . 2.810 2.420 2.223 2.642 . 0 0 "[ . 1 . 2]" 1 998 1 57 ALA HA 1 58 GLU QB . . 4.920 4.426 4.271 4.620 . 0 0 "[ . 1 . 2]" 1 999 1 57 ALA MB 1 58 GLU H . . 3.220 2.444 2.022 2.917 . 0 0 "[ . 1 . 2]" 1 1000 1 58 GLU H 1 58 GLU HB2 . . 3.670 3.109 2.249 3.675 0.005 4 0 "[ . 1 . 2]" 1 1001 1 58 GLU H 1 58 GLU QB . . 3.150 2.587 2.225 2.866 . 0 0 "[ . 1 . 2]" 1 1002 1 58 GLU H 1 58 GLU HB3 . . 3.670 3.186 2.731 3.672 0.002 13 0 "[ . 1 . 2]" 1 1003 1 58 GLU H 1 58 GLU HG2 . . 4.160 2.777 1.948 4.088 . 0 0 "[ . 1 . 2]" 1 1004 1 58 GLU H 1 58 GLU QG . . 3.470 2.411 1.936 3.447 . 0 0 "[ . 1 . 2]" 1 1005 1 58 GLU H 1 58 GLU HG3 . . 4.160 3.170 1.971 3.932 . 0 0 "[ . 1 . 2]" 1 1006 1 58 GLU H 1 59 ALA H . . 4.590 4.539 4.461 4.598 0.008 14 0 "[ . 1 . 2]" 1 1007 1 58 GLU HA 1 59 ALA H . . 2.650 2.232 2.159 2.485 . 0 0 "[ . 1 . 2]" 1 1008 1 58 GLU HA 1 59 ALA MB . . 4.090 3.866 3.791 3.960 . 0 0 "[ . 1 . 2]" 1 1009 1 58 GLU QB 1 59 ALA H . . 3.540 2.876 2.231 3.125 . 0 0 "[ . 1 . 2]" 1 1010 1 58 GLU HB2 1 59 ALA H . . 4.180 3.428 2.476 4.179 . 0 0 "[ . 1 . 2]" 1 1011 1 58 GLU HB3 1 59 ALA H . . 4.180 3.536 2.261 4.160 . 0 0 "[ . 1 . 2]" 1 1012 1 58 GLU QG 1 59 ALA H . . 4.410 4.054 3.599 4.384 . 0 0 "[ . 1 . 2]" 1 1013 1 59 ALA H 1 59 ALA MB . . 3.090 2.463 2.351 2.645 . 0 0 "[ . 1 . 2]" 1 1014 1 59 ALA H 1 60 ASP H . . 4.490 4.352 4.084 4.502 0.012 8 0 "[ . 1 . 2]" 1 1015 1 59 ALA HA 1 60 ASP H . . 3.110 2.211 2.141 2.440 . 0 0 "[ . 1 . 2]" 1 1016 1 59 ALA MB 1 60 ASP H . . 3.400 2.975 2.290 3.371 . 0 0 "[ . 1 . 2]" 1 1017 1 59 ALA MB 1 71 ILE MG . . 3.090 2.295 1.933 2.444 . 0 0 "[ . 1 . 2]" 1 1018 1 59 ALA MB 1 72 PHE H . . 4.490 3.990 3.386 4.478 . 0 0 "[ . 1 . 2]" 1 1019 1 59 ALA MB 1 73 TYR QB . . 3.450 3.053 2.784 3.257 . 0 0 "[ . 1 . 2]" 1 1020 1 59 ALA MB 1 73 TYR QD . . 4.420 4.221 3.926 4.417 . 0 0 "[ . 1 . 2]" 1 1021 1 60 ASP H 1 60 ASP HB2 . . 3.690 2.547 2.279 2.760 . 0 0 "[ . 1 . 2]" 1 1022 1 60 ASP H 1 60 ASP QB . . 3.130 2.485 2.197 2.679 . 0 0 "[ . 1 . 2]" 1 1023 1 60 ASP H 1 60 ASP HB3 . . 3.690 3.526 2.854 3.678 . 0 0 "[ . 1 . 2]" 1 1024 1 60 ASP H 1 61 VAL H . . 4.660 4.499 4.337 4.602 . 0 0 "[ . 1 . 2]" 1 1025 1 60 ASP H 1 72 PHE H . . 3.910 3.499 3.145 3.795 . 0 0 "[ . 1 . 2]" 1 1026 1 60 ASP H 1 73 TYR QB . . 4.710 4.578 4.376 4.688 . 0 0 "[ . 1 . 2]" 1 1027 1 60 ASP HA 1 61 VAL H . . 2.880 2.166 2.139 2.215 . 0 0 "[ . 1 . 2]" 1 1028 1 60 ASP HA 1 61 VAL HB . . 4.690 4.625 4.567 4.691 0.001 18 0 "[ . 1 . 2]" 1 1029 1 60 ASP QB 1 61 VAL H . . 3.480 3.248 2.947 3.485 0.005 13 0 "[ . 1 . 2]" 1 1030 1 60 ASP QB 1 62 ILE MD . . 3.540 2.703 2.266 2.939 . 0 0 "[ . 1 . 2]" 1 1031 1 60 ASP QB 1 72 PHE H . . 3.760 3.209 2.973 3.517 . 0 0 "[ . 1 . 2]" 1 1032 1 60 ASP HB2 1 61 VAL H . . 4.290 4.180 3.937 4.296 0.006 17 0 "[ . 1 . 2]" 1 1033 1 60 ASP HB2 1 62 ILE MD . . 4.180 3.380 2.848 4.029 . 0 0 "[ . 1 . 2]" 1 1034 1 60 ASP HB2 1 72 PHE QD . . 4.610 3.213 2.531 4.426 . 0 0 "[ . 1 . 2]" 1 1035 1 60 ASP HB3 1 61 VAL H . . 4.290 3.396 3.018 3.696 . 0 0 "[ . 1 . 2]" 1 1036 1 60 ASP HB3 1 62 ILE MD . . 4.180 2.893 2.305 3.299 . 0 0 "[ . 1 . 2]" 1 1037 1 60 ASP HB3 1 72 PHE QD . . 4.610 4.054 2.601 4.611 0.001 17 0 "[ . 1 . 2]" 1 1038 1 61 VAL H 1 61 VAL HB . . 3.100 2.668 2.469 2.790 . 0 0 "[ . 1 . 2]" 1 1039 1 61 VAL H 1 61 VAL MG1 . . 4.050 3.862 3.775 3.914 . 0 0 "[ . 1 . 2]" 1 1040 1 61 VAL H 1 61 VAL MG2 . . 3.190 2.785 2.541 2.964 . 0 0 "[ . 1 . 2]" 1 1041 1 61 VAL H 1 62 ILE H . . 4.860 4.345 4.038 4.566 . 0 0 "[ . 1 . 2]" 1 1042 1 61 VAL HA 1 61 VAL MG1 . . 3.330 2.353 2.206 2.465 . 0 0 "[ . 1 . 2]" 1 1043 1 61 VAL HA 1 61 VAL MG2 . . 3.270 2.344 2.238 2.497 . 0 0 "[ . 1 . 2]" 1 1044 1 61 VAL HA 1 62 ILE H . . 3.130 2.181 2.140 2.261 . 0 0 "[ . 1 . 2]" 1 1045 1 61 VAL HA 1 62 ILE HB . . 4.990 4.593 4.459 4.673 . 0 0 "[ . 1 . 2]" 1 1046 1 61 VAL HA 1 71 ILE HA . . 4.320 2.929 2.755 3.092 . 0 0 "[ . 1 . 2]" 1 1047 1 61 VAL HA 1 71 ILE HG12 . . 4.320 2.649 2.068 3.296 . 0 0 "[ . 1 . 2]" 1 1048 1 61 VAL HA 1 71 ILE HG13 . . 4.700 3.242 2.895 3.578 . 0 0 "[ . 1 . 2]" 1 1049 1 61 VAL HA 1 71 ILE MG . . 4.260 3.637 2.974 4.102 . 0 0 "[ . 1 . 2]" 1 1050 1 61 VAL HA 1 72 PHE H . . 4.700 4.564 4.290 4.699 . 0 0 "[ . 1 . 2]" 1 1051 1 61 VAL MG1 1 62 ILE H . . 3.410 2.482 1.905 3.210 . 0 0 "[ . 1 . 2]" 1 1052 1 61 VAL MG1 1 63 GLU HA . . 4.900 4.058 3.770 4.398 . 0 0 "[ . 1 . 2]" 1 1053 1 61 VAL MG1 1 69 TYR HB2 . . 4.130 3.862 3.497 4.127 . 0 0 "[ . 1 . 2]" 1 1054 1 61 VAL MG1 1 69 TYR HB3 . . 3.810 2.485 2.115 2.774 . 0 0 "[ . 1 . 2]" 1 1055 1 61 VAL MG1 1 69 TYR QD . . 3.210 2.080 1.845 2.895 . 0 0 "[ . 1 . 2]" 1 1056 1 61 VAL MG1 1 70 ASP H . . 4.560 3.922 3.416 4.412 . 0 0 "[ . 1 . 2]" 1 1057 1 61 VAL MG1 1 71 ILE HA . . 5.500 4.360 4.112 4.510 . 0 0 "[ . 1 . 2]" 1 1058 1 61 VAL MG1 1 71 ILE HG12 . . 3.830 2.844 2.542 3.281 . 0 0 "[ . 1 . 2]" 1 1059 1 61 VAL MG1 1 71 ILE HG13 . . 4.010 3.074 2.806 3.416 . 0 0 "[ . 1 . 2]" 1 1060 1 61 VAL MG2 1 62 ILE H . . 4.290 4.023 3.790 4.200 . 0 0 "[ . 1 . 2]" 1 1061 1 61 VAL MG2 1 71 ILE HA . . 4.110 3.751 3.439 4.048 . 0 0 "[ . 1 . 2]" 1 1062 1 61 VAL MG2 1 71 ILE HG12 . . 3.630 2.067 1.916 2.324 . 0 0 "[ . 1 . 2]" 1 1063 1 61 VAL MG2 1 71 ILE HG13 . . 4.410 3.421 3.174 3.593 . 0 0 "[ . 1 . 2]" 1 1064 1 61 VAL MG2 1 71 ILE MG . . 3.280 2.726 2.398 3.160 . 0 0 "[ . 1 . 2]" 1 1065 1 61 VAL MG2 1 72 PHE H . . 4.880 4.708 4.341 4.869 . 0 0 "[ . 1 . 2]" 1 1066 1 62 ILE H 1 62 ILE HB . . 3.490 2.693 2.453 2.815 . 0 0 "[ . 1 . 2]" 1 1067 1 62 ILE H 1 62 ILE MD . . 3.820 2.447 2.096 2.767 . 0 0 "[ . 1 . 2]" 1 1068 1 62 ILE H 1 62 ILE HG12 . . 4.600 4.400 4.079 4.596 . 0 0 "[ . 1 . 2]" 1 1069 1 62 ILE H 1 62 ILE HG13 . . 4.180 3.585 3.305 3.776 . 0 0 "[ . 1 . 2]" 1 1070 1 62 ILE H 1 62 ILE MG . . 4.300 3.866 3.758 3.923 . 0 0 "[ . 1 . 2]" 1 1071 1 62 ILE H 1 63 GLU H . . 4.650 4.179 3.978 4.408 . 0 0 "[ . 1 . 2]" 1 1072 1 62 ILE H 1 69 TYR HB3 . . 4.800 3.975 3.618 4.667 . 0 0 "[ . 1 . 2]" 1 1073 1 62 ILE H 1 70 ASP H . . 4.190 2.944 2.579 3.477 . 0 0 "[ . 1 . 2]" 1 1074 1 62 ILE H 1 70 ASP QB . . 4.960 3.560 3.147 4.670 . 0 0 "[ . 1 . 2]" 1 1075 1 62 ILE H 1 71 ILE HA . . 4.240 3.907 3.515 4.240 0.000 8 0 "[ . 1 . 2]" 1 1076 1 62 ILE HA 1 62 ILE MD . . 3.540 3.340 3.242 3.436 . 0 0 "[ . 1 . 2]" 1 1077 1 62 ILE HA 1 62 ILE HG12 . . 3.860 3.532 3.474 3.571 . 0 0 "[ . 1 . 2]" 1 1078 1 62 ILE HA 1 62 ILE HG13 . . 3.830 2.351 2.244 2.404 . 0 0 "[ . 1 . 2]" 1 1079 1 62 ILE HA 1 62 ILE MG . . 3.320 2.372 2.264 2.447 . 0 0 "[ . 1 . 2]" 1 1080 1 62 ILE HA 1 63 GLU H . . 2.820 2.152 2.140 2.175 . 0 0 "[ . 1 . 2]" 1 1081 1 62 ILE HA 1 63 GLU HA . . 4.930 4.403 4.366 4.431 . 0 0 "[ . 1 . 2]" 1 1082 1 62 ILE HA 1 63 GLU QB . . 4.630 4.435 4.325 4.628 . 0 0 "[ . 1 . 2]" 1 1083 1 62 ILE HA 1 63 GLU QG . . 4.260 3.862 3.476 4.105 . 0 0 "[ . 1 . 2]" 1 1084 1 62 ILE HB 1 62 ILE MD . . 3.510 2.155 2.087 2.275 . 0 0 "[ . 1 . 2]" 1 1085 1 62 ILE HB 1 63 GLU H . . 4.450 4.305 4.045 4.453 0.003 13 0 "[ . 1 . 2]" 1 1086 1 62 ILE HB 1 64 ASN HD22 . . 4.980 4.000 3.759 4.392 . 0 0 "[ . 1 . 2]" 1 1087 1 62 ILE HB 1 70 ASP H . . 4.130 3.051 2.746 3.289 . 0 0 "[ . 1 . 2]" 1 1088 1 62 ILE HB 1 70 ASP HB2 . . 4.160 2.452 2.097 3.620 . 0 0 "[ . 1 . 2]" 1 1089 1 62 ILE HB 1 70 ASP QB . . 3.420 2.379 2.081 3.261 . 0 0 "[ . 1 . 2]" 1 1090 1 62 ILE HB 1 70 ASP HB3 . . 4.160 3.834 2.789 4.204 0.044 17 0 "[ . 1 . 2]" 1 1091 1 62 ILE HB 1 72 PHE QE . . 4.820 3.655 3.431 3.911 . 0 0 "[ . 1 . 2]" 1 1092 1 62 ILE MD 1 70 ASP HB2 . . 4.620 2.859 2.165 4.032 . 0 0 "[ . 1 . 2]" 1 1093 1 62 ILE MD 1 70 ASP QB . . 3.890 2.674 2.142 3.176 . 0 0 "[ . 1 . 2]" 1 1094 1 62 ILE MD 1 70 ASP HB3 . . 4.620 3.554 2.552 4.593 . 0 0 "[ . 1 . 2]" 1 1095 1 62 ILE MD 1 71 ILE H . . 5.380 4.678 4.229 5.042 . 0 0 "[ . 1 . 2]" 1 1096 1 62 ILE MD 1 72 PHE QD . . 3.710 2.858 2.255 3.171 . 0 0 "[ . 1 . 2]" 1 1097 1 62 ILE MD 1 72 PHE QE . . 3.580 2.027 1.952 2.192 . 0 0 "[ . 1 . 2]" 1 1098 1 62 ILE HG12 1 62 ILE MG . . 3.290 2.104 1.995 2.246 . 0 0 "[ . 1 . 2]" 1 1099 1 62 ILE HG12 1 63 GLU H . . 5.450 5.345 5.021 5.450 . 0 0 "[ . 1 . 2]" 1 1100 1 62 ILE HG12 1 72 PHE QE . . 4.830 4.103 3.462 4.416 . 0 0 "[ . 1 . 2]" 1 1101 1 62 ILE HG13 1 62 ILE MG . . 3.320 2.655 2.573 2.721 . 0 0 "[ . 1 . 2]" 1 1102 1 62 ILE HG13 1 63 GLU H . . 4.600 4.434 4.244 4.496 . 0 0 "[ . 1 . 2]" 1 1103 1 62 ILE HG13 1 72 PHE QE . . 4.980 4.854 4.605 4.972 . 0 0 "[ . 1 . 2]" 1 1104 1 62 ILE MG 1 63 GLU H . . 3.370 2.783 2.186 3.002 . 0 0 "[ . 1 . 2]" 1 1105 1 62 ILE MG 1 63 GLU HA . . 5.220 4.058 3.821 4.224 . 0 0 "[ . 1 . 2]" 1 1106 1 62 ILE MG 1 64 ASN HA . . 4.780 4.242 4.043 4.391 . 0 0 "[ . 1 . 2]" 1 1107 1 62 ILE MG 1 70 ASP H . . 4.930 3.888 3.343 4.185 . 0 0 "[ . 1 . 2]" 1 1108 1 63 GLU H 1 63 GLU HB2 . . 3.660 3.490 2.734 3.659 . 0 0 "[ . 1 . 2]" 1 1109 1 63 GLU H 1 63 GLU QB . . 2.960 2.594 2.423 2.751 . 0 0 "[ . 1 . 2]" 1 1110 1 63 GLU H 1 63 GLU HB3 . . 3.660 2.787 2.463 3.620 . 0 0 "[ . 1 . 2]" 1 1111 1 63 GLU H 1 63 GLU QG . . 3.070 2.113 1.888 2.567 . 0 0 "[ . 1 . 2]" 1 1112 1 63 GLU H 1 64 ASN H . . 4.600 4.602 4.574 4.625 0.025 3 0 "[ . 1 . 2]" 1 1113 1 63 GLU HA 1 63 GLU HG2 . . 3.980 3.683 2.706 3.932 . 0 0 "[ . 1 . 2]" 1 1114 1 63 GLU HA 1 63 GLU QG . . 3.470 3.230 2.587 3.340 . 0 0 "[ . 1 . 2]" 1 1115 1 63 GLU HA 1 63 GLU HG3 . . 3.980 3.632 2.644 3.876 . 0 0 "[ . 1 . 2]" 1 1116 1 63 GLU HA 1 64 ASN H . . 2.990 2.271 2.186 2.350 . 0 0 "[ . 1 . 2]" 1 1117 1 63 GLU HA 1 64 ASN HA . . 4.980 4.414 4.379 4.442 . 0 0 "[ . 1 . 2]" 1 1118 1 63 GLU HA 1 64 ASN HB2 . . 4.440 4.201 4.179 4.233 . 0 0 "[ . 1 . 2]" 1 1119 1 63 GLU HA 1 64 ASN HB3 . . 5.500 5.580 5.570 5.597 0.097 1 0 "[ . 1 . 2]" 1 1120 1 63 GLU HA 1 64 ASN HD21 . . 4.600 3.479 3.250 3.791 . 0 0 "[ . 1 . 2]" 1 1121 1 63 GLU HA 1 69 TYR HA . . 3.870 2.602 2.335 2.836 . 0 0 "[ . 1 . 2]" 1 1122 1 63 GLU HA 1 69 TYR HB2 . . 4.980 4.872 4.713 4.981 0.001 7 0 "[ . 1 . 2]" 1 1123 1 63 GLU HA 1 69 TYR HB3 . . 4.870 4.092 3.616 4.354 . 0 0 "[ . 1 . 2]" 1 1124 1 63 GLU HA 1 69 TYR QD . . 3.900 3.239 2.505 3.636 . 0 0 "[ . 1 . 2]" 1 1125 1 63 GLU HA 1 69 TYR QE . . 4.240 3.774 3.197 4.144 . 0 0 "[ . 1 . 2]" 1 1126 1 63 GLU HA 1 70 ASP H . . 4.450 3.936 3.672 4.208 . 0 0 "[ . 1 . 2]" 1 1127 1 63 GLU QB 1 64 ASN H . . 3.530 2.749 2.524 3.004 . 0 0 "[ . 1 . 2]" 1 1128 1 63 GLU QB 1 69 TYR QD . . 4.750 3.455 2.738 3.849 . 0 0 "[ . 1 . 2]" 1 1129 1 63 GLU QB 1 69 TYR QE . . 3.410 2.731 1.992 3.362 . 0 0 "[ . 1 . 2]" 1 1130 1 64 ASN H 1 64 ASN HB2 . . 3.820 2.480 2.317 2.581 . 0 0 "[ . 1 . 2]" 1 1131 1 64 ASN H 1 64 ASN HB3 . . 3.780 3.617 3.519 3.701 . 0 0 "[ . 1 . 2]" 1 1132 1 64 ASN H 1 64 ASN HD21 . . 4.040 3.076 2.987 3.195 . 0 0 "[ . 1 . 2]" 1 1133 1 64 ASN H 1 64 ASN HD22 . . 4.670 4.670 4.581 4.686 0.016 18 0 "[ . 1 . 2]" 1 1134 1 64 ASN H 1 65 GLU H . . 4.750 4.476 4.420 4.539 . 0 0 "[ . 1 . 2]" 1 1135 1 64 ASN H 1 68 THR H . . 4.610 3.126 2.804 3.498 . 0 0 "[ . 1 . 2]" 1 1136 1 64 ASN H 1 69 TYR H . . 5.160 5.111 4.990 5.158 . 0 0 "[ . 1 . 2]" 1 1137 1 64 ASN H 1 69 TYR HA . . 3.890 3.616 3.235 3.888 . 0 0 "[ . 1 . 2]" 1 1138 1 64 ASN H 1 69 TYR QD . . 4.700 4.188 3.919 4.634 . 0 0 "[ . 1 . 2]" 1 1139 1 64 ASN HA 1 65 GLU HA . . 4.830 4.313 4.299 4.350 . 0 0 "[ . 1 . 2]" 1 1140 1 64 ASN HA 1 66 ASP H . . 4.410 3.998 3.749 4.252 . 0 0 "[ . 1 . 2]" 1 1141 1 64 ASN HB2 1 64 ASN HD22 . . 4.030 3.540 3.486 3.642 . 0 0 "[ . 1 . 2]" 1 1142 1 64 ASN HB2 1 65 GLU H . . 4.330 3.986 3.880 4.129 . 0 0 "[ . 1 . 2]" 1 1143 1 64 ASN HB2 1 66 ASP H . . 3.930 3.514 3.269 3.838 . 0 0 "[ . 1 . 2]" 1 1144 1 64 ASN HB2 1 67 GLY H . . 5.070 4.126 3.113 4.878 . 0 0 "[ . 1 . 2]" 1 1145 1 64 ASN HB2 1 68 THR H . . 4.460 2.538 2.055 2.967 . 0 0 "[ . 1 . 2]" 1 1146 1 64 ASN HB3 1 65 GLU H . . 4.920 2.665 2.492 2.909 . 0 0 "[ . 1 . 2]" 1 1147 1 64 ASN HB3 1 66 ASP H . . 4.070 2.271 2.113 2.457 . 0 0 "[ . 1 . 2]" 1 1148 1 64 ASN HB3 1 67 GLY H . . 4.870 3.922 2.989 4.681 . 0 0 "[ . 1 . 2]" 1 1149 1 64 ASN HB3 1 68 THR H . . 4.050 3.374 2.941 3.940 . 0 0 "[ . 1 . 2]" 1 1150 1 64 ASN HD21 1 68 THR H . . 4.900 4.625 4.277 4.901 0.001 19 0 "[ . 1 . 2]" 1 1151 1 64 ASN HD21 1 68 THR HB . . 4.940 4.538 3.977 4.902 . 0 0 "[ . 1 . 2]" 1 1152 1 64 ASN HD21 1 69 TYR HA . . 4.750 3.282 2.879 3.697 . 0 0 "[ . 1 . 2]" 1 1153 1 64 ASN HD21 1 70 ASP H . . 4.630 3.329 2.741 3.906 . 0 0 "[ . 1 . 2]" 1 1154 1 64 ASN HD22 1 68 THR HB . . 5.500 5.385 5.040 5.500 0.000 1 0 "[ . 1 . 2]" 1 1155 1 64 ASN HD22 1 69 TYR HA . . 4.910 4.678 4.361 4.910 . 4 0 "[ . 1 . 2]" 1 1156 1 64 ASN HD22 1 70 ASP H . . 4.460 3.982 3.490 4.414 . 0 0 "[ . 1 . 2]" 1 1157 1 65 GLU H 1 65 GLU QG . . 4.570 2.946 1.907 4.058 . 0 0 "[ . 1 . 2]" 1 1158 1 65 GLU H 1 66 ASP H . . 4.080 2.625 2.495 2.735 . 0 0 "[ . 1 . 2]" 1 1159 1 65 GLU HA 1 65 GLU QG . . 3.670 2.769 2.227 3.439 . 0 0 "[ . 1 . 2]" 1 1160 1 65 GLU QB 1 66 ASP H . . 3.980 3.259 2.686 3.992 0.012 10 0 "[ . 1 . 2]" 1 1161 1 65 GLU HB2 1 66 ASP H . . 4.580 3.772 2.898 4.464 . 0 0 "[ . 1 . 2]" 1 1162 1 65 GLU HB3 1 66 ASP H . . 4.580 3.778 2.741 4.524 . 0 0 "[ . 1 . 2]" 1 1163 1 65 GLU QG 1 66 ASP H . . 4.940 3.866 2.279 4.640 . 0 0 "[ . 1 . 2]" 1 1164 1 66 ASP H 1 66 ASP HB2 . . 3.880 2.630 2.217 3.803 . 0 0 "[ . 1 . 2]" 1 1165 1 66 ASP H 1 66 ASP QB . . 3.340 2.340 2.191 2.785 . 0 0 "[ . 1 . 2]" 1 1166 1 66 ASP H 1 66 ASP HB3 . . 3.880 3.080 2.265 3.768 . 0 0 "[ . 1 . 2]" 1 1167 1 66 ASP H 1 68 THR H . . 3.900 3.541 3.293 3.808 . 0 0 "[ . 1 . 2]" 1 1168 1 67 GLY H 1 68 THR H . . 3.230 2.526 2.017 2.958 . 0 0 "[ . 1 . 2]" 1 1169 1 68 THR H 1 68 THR MG . . 3.630 3.122 2.719 3.491 . 0 0 "[ . 1 . 2]" 1 1170 1 68 THR H 1 69 TYR H . . 4.940 4.457 4.389 4.522 . 0 0 "[ . 1 . 2]" 1 1171 1 68 THR HA 1 68 THR MG . . 3.390 2.218 2.005 2.452 . 0 0 "[ . 1 . 2]" 1 1172 1 68 THR HA 1 69 TYR H . . 3.070 2.329 2.152 2.529 . 0 0 "[ . 1 . 2]" 1 1173 1 68 THR HA 1 69 TYR HB2 . . 4.780 4.394 4.231 4.642 . 0 0 "[ . 1 . 2]" 1 1174 1 68 THR HA 1 69 TYR QD . . 4.140 2.856 2.668 3.088 . 0 0 "[ . 1 . 2]" 1 1175 1 68 THR HA 1 69 TYR QE . . 5.030 4.424 3.943 4.894 . 0 0 "[ . 1 . 2]" 1 1176 1 68 THR HB 1 69 TYR H . . 3.290 2.634 2.156 3.276 . 0 0 "[ . 1 . 2]" 1 1177 1 68 THR HB 1 69 TYR QD . . 4.810 4.650 4.436 4.809 . 0 0 "[ . 1 . 2]" 1 1178 1 68 THR MG 1 69 TYR H . . 3.950 3.550 3.153 3.881 . 0 0 "[ . 1 . 2]" 1 1179 1 69 TYR H 1 69 TYR HB2 . . 3.730 2.638 2.463 2.836 . 0 0 "[ . 1 . 2]" 1 1180 1 69 TYR H 1 69 TYR HB3 . . 4.060 3.766 3.671 3.889 . 0 0 "[ . 1 . 2]" 1 1181 1 69 TYR H 1 69 TYR QD . . 3.460 2.724 2.238 3.123 . 0 0 "[ . 1 . 2]" 1 1182 1 69 TYR HA 1 69 TYR QD . . 4.070 3.098 3.027 3.182 . 0 0 "[ . 1 . 2]" 1 1183 1 69 TYR HA 1 69 TYR QE . . 5.430 4.656 4.571 4.826 . 0 0 "[ . 1 . 2]" 1 1184 1 69 TYR HA 1 70 ASP H . . 3.110 2.143 2.137 2.176 . 0 0 "[ . 1 . 2]" 1 1185 1 69 TYR HB2 1 70 ASP H . . 4.800 4.328 4.186 4.443 . 0 0 "[ . 1 . 2]" 1 1186 1 69 TYR HB2 1 71 ILE MD . . 4.030 3.787 3.647 4.015 . 0 0 "[ . 1 . 2]" 1 1187 1 69 TYR HB3 1 70 ASP H . . 4.500 3.425 3.160 3.577 . 0 0 "[ . 1 . 2]" 1 1188 1 69 TYR HB3 1 71 ILE MD . . 4.220 3.538 3.215 3.872 . 0 0 "[ . 1 . 2]" 1 1189 1 69 TYR HB3 1 71 ILE HG13 . . 4.980 3.477 3.275 3.831 . 0 0 "[ . 1 . 2]" 1 1190 1 70 ASP H 1 70 ASP QB . . 3.460 2.508 2.269 3.018 . 0 0 "[ . 1 . 2]" 1 1191 1 70 ASP H 1 71 ILE H . . 4.530 4.469 4.327 4.513 . 0 0 "[ . 1 . 2]" 1 1192 1 70 ASP HA 1 71 ILE H . . 2.860 2.155 2.139 2.166 . 0 0 "[ . 1 . 2]" 1 1193 1 70 ASP QB 1 71 ILE H . . 3.710 3.206 3.092 3.621 . 0 0 "[ . 1 . 2]" 1 1194 1 70 ASP QB 1 72 PHE QE . . 3.670 2.361 2.183 2.801 . 0 0 "[ . 1 . 2]" 1 1195 1 70 ASP QB 1 72 PHE HZ . . 4.020 2.600 2.260 3.055 . 0 0 "[ . 1 . 2]" 1 1196 1 70 ASP HB2 1 71 ILE H . . 4.400 4.111 3.307 4.357 . 0 0 "[ . 1 . 2]" 1 1197 1 70 ASP HB2 1 72 PHE QE . . 4.210 2.883 2.298 3.882 . 0 0 "[ . 1 . 2]" 1 1198 1 70 ASP HB2 1 72 PHE HZ . . 4.720 3.628 3.095 4.004 . 0 0 "[ . 1 . 2]" 1 1199 1 70 ASP HB3 1 71 ILE H . . 4.400 3.398 3.205 3.915 . 0 0 "[ . 1 . 2]" 1 1200 1 70 ASP HB3 1 72 PHE QE . . 4.210 2.716 2.223 4.207 . 0 0 "[ . 1 . 2]" 1 1201 1 70 ASP HB3 1 72 PHE HZ . . 4.720 2.774 2.284 4.289 . 0 0 "[ . 1 . 2]" 1 1202 1 71 ILE H 1 71 ILE HB . . 3.380 2.738 2.681 2.796 . 0 0 "[ . 1 . 2]" 1 1203 1 71 ILE H 1 71 ILE MD . . 4.160 3.765 3.570 4.051 . 0 0 "[ . 1 . 2]" 1 1204 1 71 ILE H 1 71 ILE HG12 . . 4.450 4.210 4.074 4.290 . 0 0 "[ . 1 . 2]" 1 1205 1 71 ILE H 1 71 ILE HG13 . . 3.730 2.883 2.720 2.998 . 0 0 "[ . 1 . 2]" 1 1206 1 71 ILE H 1 71 ILE MG . . 4.120 3.888 3.858 3.918 . 0 0 "[ . 1 . 2]" 1 1207 1 71 ILE H 1 72 PHE H . . 4.810 4.402 4.325 4.468 . 0 0 "[ . 1 . 2]" 1 1208 1 71 ILE H 1 72 PHE QD . . 4.950 4.444 4.246 4.754 . 0 0 "[ . 1 . 2]" 1 1209 1 71 ILE HA 1 71 ILE MD . . 4.250 3.897 3.853 3.936 . 0 0 "[ . 1 . 2]" 1 1210 1 71 ILE HA 1 71 ILE HG12 . . 4.090 2.785 2.599 2.893 . 0 0 "[ . 1 . 2]" 1 1211 1 71 ILE HA 1 71 ILE HG13 . . 4.210 2.792 2.705 2.945 . 0 0 "[ . 1 . 2]" 1 1212 1 71 ILE HA 1 71 ILE MG . . 3.510 2.328 2.200 2.438 . 0 0 "[ . 1 . 2]" 1 1213 1 71 ILE HA 1 72 PHE H . . 2.930 2.216 2.163 2.295 . 0 0 "[ . 1 . 2]" 1 1214 1 71 ILE HA 1 72 PHE HA . . 4.750 4.425 4.398 4.452 . 0 0 "[ . 1 . 2]" 1 1215 1 71 ILE HA 1 72 PHE QD . . 4.700 2.920 2.625 3.291 . 0 0 "[ . 1 . 2]" 1 1216 1 71 ILE HB 1 71 ILE MD . . 3.460 2.271 2.201 2.389 . 0 0 "[ . 1 . 2]" 1 1217 1 71 ILE HB 1 72 PHE H . . 4.630 3.946 3.677 4.087 . 0 0 "[ . 1 . 2]" 1 1218 1 71 ILE HG12 1 71 ILE MG . . 3.490 2.182 2.039 2.301 . 0 0 "[ . 1 . 2]" 1 1219 1 71 ILE HG12 1 72 PHE H . . 4.520 4.379 4.197 4.520 . 0 0 "[ . 1 . 2]" 1 1220 1 71 ILE HG13 1 72 PHE H . . 4.960 4.803 4.697 4.959 . 0 0 "[ . 1 . 2]" 1 1221 1 71 ILE MG 1 72 PHE H . . 3.450 2.106 1.863 2.344 . 0 0 "[ . 1 . 2]" 1 1222 1 71 ILE MG 1 72 PHE HA . . 4.770 3.536 3.327 3.740 . 0 0 "[ . 1 . 2]" 1 1223 1 71 ILE MG 1 73 TYR QD . . 4.100 3.327 2.902 3.785 . 0 0 "[ . 1 . 2]" 1 1224 1 72 PHE H 1 72 PHE HB2 . . 3.570 2.878 2.759 3.007 . 0 0 "[ . 1 . 2]" 1 1225 1 72 PHE H 1 72 PHE HB3 . . 3.930 3.876 3.820 3.933 0.003 1 0 "[ . 1 . 2]" 1 1226 1 72 PHE H 1 72 PHE QD . . 4.000 2.379 2.130 2.712 . 0 0 "[ . 1 . 2]" 1 1227 1 72 PHE H 1 73 TYR H . . 4.520 4.416 4.373 4.465 . 0 0 "[ . 1 . 2]" 1 1228 1 72 PHE HA 1 72 PHE QD . . 4.050 3.203 3.086 3.296 . 0 0 "[ . 1 . 2]" 1 1229 1 72 PHE HA 1 73 TYR H . . 2.940 2.271 2.228 2.307 . 0 0 "[ . 1 . 2]" 1 1230 1 72 PHE HB2 1 73 TYR H . . 4.050 3.705 3.563 3.830 . 0 0 "[ . 1 . 2]" 1 1231 1 72 PHE HB3 1 73 TYR H . . 3.600 2.827 2.712 2.957 . 0 0 "[ . 1 . 2]" 1 1232 1 72 PHE HB3 1 73 TYR HA . . 4.600 4.487 4.374 4.561 . 0 0 "[ . 1 . 2]" 1 1233 1 72 PHE QD 1 73 TYR H . . 4.480 4.343 4.162 4.452 . 0 0 "[ . 1 . 2]" 1 1234 1 73 TYR H 1 73 TYR QB . . 3.610 3.136 3.063 3.222 . 0 0 "[ . 1 . 2]" 1 1235 1 73 TYR H 1 73 TYR QD . . 3.780 3.408 3.098 3.572 . 0 0 "[ . 1 . 2]" 1 1236 1 73 TYR H 1 74 THR H . . 4.590 4.327 4.267 4.368 . 0 0 "[ . 1 . 2]" 1 1237 1 73 TYR HA 1 73 TYR QD . . 4.140 3.647 3.570 3.717 . 0 0 "[ . 1 . 2]" 1 1238 1 73 TYR HA 1 74 THR H . . 3.030 2.324 2.228 2.414 . 0 0 "[ . 1 . 2]" 1 1239 1 73 TYR HA 1 74 THR HB . . 4.760 4.647 4.572 4.759 . 0 0 "[ . 1 . 2]" 1 1240 1 73 TYR QB 1 74 THR H . . 3.130 2.680 2.481 2.950 . 0 0 "[ . 1 . 2]" 1 1241 1 73 TYR QB 1 83 ILE MD . . 5.160 4.600 4.063 4.990 . 0 0 "[ . 1 . 2]" 1 1242 1 73 TYR QD 1 73 TYR HH . . 4.440 4.295 4.242 4.352 . 0 0 "[ . 1 . 2]" 1 1243 1 73 TYR QD 1 74 THR H . . 3.710 2.867 2.531 3.183 . 0 0 "[ . 1 . 2]" 1 1244 1 73 TYR QD 1 74 THR HA . . 4.560 3.251 2.889 3.588 . 0 0 "[ . 1 . 2]" 1 1245 1 73 TYR QD 1 75 ALA MB . . 4.260 3.807 3.477 4.051 . 0 0 "[ . 1 . 2]" 1 1246 1 73 TYR QD 1 83 ILE MD . . 4.530 3.398 2.723 3.900 . 0 0 "[ . 1 . 2]" 1 1247 1 73 TYR QE 1 73 TYR HH . . 3.150 2.403 2.195 2.638 . 0 0 "[ . 1 . 2]" 1 1248 1 73 TYR QE 1 75 ALA MB . . 3.520 2.889 2.360 3.300 . 0 0 "[ . 1 . 2]" 1 1249 1 73 TYR QE 1 83 ILE MD . . 3.670 2.306 1.930 2.944 . 0 0 "[ . 1 . 2]" 1 1250 1 73 TYR QE 1 83 ILE HG12 . . 5.400 4.252 3.839 4.833 . 0 0 "[ . 1 . 2]" 1 1251 1 73 TYR QE 1 99 VAL MG1 . . 4.790 3.637 3.164 4.064 . 0 0 "[ . 1 . 2]" 1 1252 1 73 TYR QE 1 99 VAL MG2 . . 5.160 4.042 3.288 4.457 . 0 0 "[ . 1 . 2]" 1 1253 1 73 TYR HH 1 83 ILE MD . . 3.690 2.885 2.120 3.645 . 0 0 "[ . 1 . 2]" 1 1254 1 73 TYR HH 1 99 VAL MG2 . . 4.120 3.245 2.721 3.795 . 0 0 "[ . 1 . 2]" 1 1255 1 74 THR H 1 74 THR HB . . 3.270 2.701 2.599 2.863 . 0 0 "[ . 1 . 2]" 1 1256 1 74 THR H 1 74 THR MG . . 3.960 3.882 3.834 3.949 . 0 0 "[ . 1 . 2]" 1 1257 1 74 THR H 1 75 ALA H . . 4.520 4.466 4.396 4.519 . 0 0 "[ . 1 . 2]" 1 1258 1 74 THR HA 1 74 THR MG . . 3.400 2.320 2.192 2.422 . 0 0 "[ . 1 . 2]" 1 1259 1 74 THR HA 1 75 ALA H . . 2.930 2.275 2.177 2.380 . 0 0 "[ . 1 . 2]" 1 1260 1 74 THR HA 1 75 ALA MB . . 4.440 3.882 3.813 3.955 . 0 0 "[ . 1 . 2]" 1 1261 1 74 THR HB 1 75 ALA H . . 4.730 3.802 3.518 4.044 . 0 0 "[ . 1 . 2]" 1 1262 1 74 THR MG 1 75 ALA H . . 3.490 2.044 1.832 2.276 . 0 0 "[ . 1 . 2]" 1 1263 1 74 THR MG 1 75 ALA HA . . 3.900 3.767 3.561 3.886 . 0 0 "[ . 1 . 2]" 1 1264 1 74 THR MG 1 76 ALA H . . 4.150 3.580 3.231 3.832 . 0 0 "[ . 1 . 2]" 1 1265 1 74 THR MG 1 76 ALA HA . . 3.640 3.504 3.304 3.619 . 0 0 "[ . 1 . 2]" 1 1266 1 74 THR MG 1 76 ALA MB . . 4.120 3.976 3.626 4.112 . 0 0 "[ . 1 . 2]" 1 1267 1 75 ALA H 1 75 ALA MB . . 3.240 2.345 2.204 2.469 . 0 0 "[ . 1 . 2]" 1 1268 1 75 ALA H 1 76 ALA H . . 4.770 4.023 3.825 4.153 . 0 0 "[ . 1 . 2]" 1 1269 1 75 ALA HA 1 76 ALA H . . 2.920 2.219 2.180 2.271 . 0 0 "[ . 1 . 2]" 1 1270 1 75 ALA HA 1 76 ALA MB . . 4.120 4.040 3.953 4.085 . 0 0 "[ . 1 . 2]" 1 1271 1 75 ALA HA 1 77 LYS H . . 4.060 3.920 3.680 4.070 0.010 15 0 "[ . 1 . 2]" 1 1272 1 75 ALA HA 1 81 TYR QE . . 3.840 3.062 2.634 3.636 . 0 0 "[ . 1 . 2]" 1 1273 1 75 ALA MB 1 76 ALA H . . 3.790 3.535 3.476 3.602 . 0 0 "[ . 1 . 2]" 1 1274 1 75 ALA MB 1 77 LYS H . . 4.340 3.866 3.568 4.254 . 0 0 "[ . 1 . 2]" 1 1275 1 75 ALA MB 1 81 TYR QD . . 4.540 3.871 3.377 4.221 . 0 0 "[ . 1 . 2]" 1 1276 1 75 ALA MB 1 81 TYR QE . . 3.850 3.109 2.694 3.651 . 0 0 "[ . 1 . 2]" 1 1277 1 75 ALA MB 1 101 ALA MB . . 3.090 2.387 2.071 2.602 . 0 0 "[ . 1 . 2]" 1 1278 1 76 ALA H 1 76 ALA MB . . 2.990 2.209 2.024 2.234 . 0 0 "[ . 1 . 2]" 1 1279 1 76 ALA H 1 77 LYS H . . 3.320 2.855 2.773 2.961 . 0 0 "[ . 1 . 2]" 1 1280 1 76 ALA H 1 81 TYR QE . . 4.220 4.108 3.838 4.221 0.001 15 0 "[ . 1 . 2]" 1 1281 1 76 ALA MB 1 77 LYS H . . 3.320 2.355 2.152 2.580 . 0 0 "[ . 1 . 2]" 1 1282 1 76 ALA MB 1 77 LYS HA . . 4.810 4.064 3.917 4.148 . 0 0 "[ . 1 . 2]" 1 1283 1 77 LYS H 1 77 LYS HB2 . . 3.920 3.157 2.459 3.857 . 0 0 "[ . 1 . 2]" 1 1284 1 77 LYS H 1 77 LYS QB . . 3.380 2.702 2.423 3.020 . 0 0 "[ . 1 . 2]" 1 1285 1 77 LYS H 1 77 LYS HB3 . . 3.920 3.400 2.790 3.837 . 0 0 "[ . 1 . 2]" 1 1286 1 77 LYS H 1 77 LYS QD . . 4.250 3.403 1.892 4.251 0.001 9 0 "[ . 1 . 2]" 1 1287 1 77 LYS H 1 77 LYS QG . . 3.380 2.923 2.086 3.410 0.030 19 0 "[ . 1 . 2]" 1 1288 1 77 LYS H 1 78 PRO HD2 . . 5.070 4.818 4.801 4.830 . 0 0 "[ . 1 . 2]" 1 1289 1 77 LYS H 1 78 PRO HD3 . . 5.090 4.960 4.887 5.053 . 0 0 "[ . 1 . 2]" 1 1290 1 77 LYS H 1 81 TYR QE . . 4.650 4.182 3.945 4.436 . 0 0 "[ . 1 . 2]" 1 1291 1 77 LYS HA 1 77 LYS QD . . 4.600 3.530 2.056 4.467 . 0 0 "[ . 1 . 2]" 1 1292 1 77 LYS HA 1 77 LYS QG . . 3.720 2.942 2.407 3.424 . 0 0 "[ . 1 . 2]" 1 1293 1 77 LYS HA 1 78 PRO HD2 . . 3.350 2.369 2.299 2.406 . 0 0 "[ . 1 . 2]" 1 1294 1 77 LYS HA 1 78 PRO HD3 . . 3.280 2.290 2.269 2.302 . 0 0 "[ . 1 . 2]" 1 1295 1 77 LYS HA 1 78 PRO QG . . 4.020 3.983 3.940 4.006 . 0 0 "[ . 1 . 2]" 1 1296 1 77 LYS QB 1 78 PRO HD2 . . 3.290 2.048 1.984 2.190 . 0 0 "[ . 1 . 2]" 1 1297 1 77 LYS QB 1 78 PRO HD3 . . 3.920 3.387 3.291 3.518 . 0 0 "[ . 1 . 2]" 1 1298 1 77 LYS HB2 1 78 PRO HD2 . . 4.040 2.920 1.993 3.714 . 0 0 "[ . 1 . 2]" 1 1299 1 77 LYS HB2 1 78 PRO HD3 . . 4.750 4.140 3.378 4.751 0.001 2 0 "[ . 1 . 2]" 1 1300 1 77 LYS HB3 1 78 PRO HD2 . . 4.040 2.728 1.998 3.588 . 0 0 "[ . 1 . 2]" 1 1301 1 77 LYS HB3 1 78 PRO HD3 . . 4.750 3.950 3.447 4.542 . 0 0 "[ . 1 . 2]" 1 1302 1 77 LYS QD 1 78 PRO HD2 . . 4.560 4.034 2.310 4.595 0.035 19 0 "[ . 1 . 2]" 1 1303 1 77 LYS QE 1 77 LYS QG . . 3.470 2.162 2.003 2.346 . 0 0 "[ . 1 . 2]" 1 1304 1 77 LYS QG 1 78 PRO HD2 . . 4.270 3.434 2.927 3.864 . 0 0 "[ . 1 . 2]" 1 1305 1 77 LYS QG 1 78 PRO HD3 . . 4.660 4.354 3.804 4.656 . 0 0 "[ . 1 . 2]" 1 1306 1 78 PRO HA 1 79 GLY H . . 3.010 2.378 2.274 2.632 . 0 0 "[ . 1 . 2]" 1 1307 1 78 PRO HA 1 101 ALA H . . 4.590 4.294 4.026 4.456 . 0 0 "[ . 1 . 2]" 1 1308 1 78 PRO HA 1 101 ALA MB . . 3.430 2.076 1.839 2.357 . 0 0 "[ . 1 . 2]" 1 1309 1 78 PRO HB2 1 79 GLY H . . 3.540 2.697 2.096 2.982 . 0 0 "[ . 1 . 2]" 1 1310 1 78 PRO HB2 1 79 GLY QA . . 4.720 3.660 3.498 3.746 . 0 0 "[ . 1 . 2]" 1 1311 1 78 PRO HB2 1 102 THR HA . . 4.810 3.797 3.186 4.220 . 0 0 "[ . 1 . 2]" 1 1312 1 78 PRO HB2 1 103 ASP H . . 4.830 4.290 3.746 4.815 . 0 0 "[ . 1 . 2]" 1 1313 1 78 PRO HB3 1 79 GLY H . . 3.750 3.504 3.220 3.657 . 0 0 "[ . 1 . 2]" 1 1314 1 78 PRO HB3 1 102 THR HA . . 4.450 3.214 2.382 3.623 . 0 0 "[ . 1 . 2]" 1 1315 1 78 PRO HB3 1 103 ASP H . . 4.500 3.308 2.839 3.848 . 0 0 "[ . 1 . 2]" 1 1316 1 79 GLY H 1 80 THR HA . . 5.380 4.794 4.724 5.004 . 0 0 "[ . 1 . 2]" 1 1317 1 79 GLY H 1 81 TYR QE . . 4.260 3.729 3.383 4.260 . 19 0 "[ . 1 . 2]" 1 1318 1 79 GLY H 1 100 MET HA . . 4.730 4.640 4.422 4.732 0.002 19 0 "[ . 1 . 2]" 1 1319 1 79 GLY H 1 101 ALA H . . 3.630 3.042 2.771 3.338 . 0 0 "[ . 1 . 2]" 1 1320 1 79 GLY H 1 101 ALA MB . . 3.430 2.658 1.967 3.403 . 0 0 "[ . 1 . 2]" 1 1321 1 79 GLY H 1 102 THR HA . . 5.500 4.502 3.901 5.042 . 0 0 "[ . 1 . 2]" 1 1322 1 79 GLY QA 1 80 THR HB . . 4.880 4.466 4.384 4.546 . 0 0 "[ . 1 . 2]" 1 1323 1 79 GLY HA2 1 80 THR H . . 3.090 2.869 2.705 3.042 . 0 0 "[ . 1 . 2]" 1 1324 1 79 GLY HA3 1 80 THR H . . 3.090 2.303 2.192 2.428 . 0 0 "[ . 1 . 2]" 1 1325 1 80 THR H 1 80 THR HB . . 2.930 2.639 2.555 2.736 . 0 0 "[ . 1 . 2]" 1 1326 1 80 THR H 1 80 THR MG . . 4.090 3.851 3.806 3.894 . 0 0 "[ . 1 . 2]" 1 1327 1 80 THR H 1 81 TYR H . . 4.440 4.148 3.973 4.303 . 0 0 "[ . 1 . 2]" 1 1328 1 80 THR HA 1 80 THR MG . . 3.230 2.314 2.212 2.432 . 0 0 "[ . 1 . 2]" 1 1329 1 80 THR HA 1 81 TYR H . . 3.010 2.175 2.147 2.219 . 0 0 "[ . 1 . 2]" 1 1330 1 80 THR HA 1 81 TYR QD . . 4.930 3.485 3.295 3.764 . 0 0 "[ . 1 . 2]" 1 1331 1 80 THR HA 1 100 MET HA . . 3.560 2.882 2.429 3.210 . 0 0 "[ . 1 . 2]" 1 1332 1 80 THR HA 1 100 MET QB . . 5.340 4.384 4.023 4.812 . 0 0 "[ . 1 . 2]" 1 1333 1 80 THR HA 1 101 ALA H . . 4.070 3.704 3.349 4.071 0.001 7 0 "[ . 1 . 2]" 1 1334 1 80 THR HB 1 81 TYR H . . 4.690 4.372 4.261 4.462 . 0 0 "[ . 1 . 2]" 1 1335 1 80 THR HB 1 82 VAL MG2 . . 4.450 4.340 4.159 4.448 . 0 0 "[ . 1 . 2]" 1 1336 1 80 THR MG 1 81 TYR H . . 3.540 3.078 2.792 3.330 . 0 0 "[ . 1 . 2]" 1 1337 1 80 THR MG 1 82 VAL MG2 . . 3.080 2.818 2.552 3.057 . 0 0 "[ . 1 . 2]" 1 1338 1 80 THR MG 1 98 THR HA . . 4.610 3.847 2.976 4.161 . 0 0 "[ . 1 . 2]" 1 1339 1 80 THR MG 1 99 VAL H . . 4.310 3.588 2.627 3.904 . 0 0 "[ . 1 . 2]" 1 1340 1 81 TYR H 1 81 TYR HB2 . . 3.700 2.333 2.295 2.390 . 0 0 "[ . 1 . 2]" 1 1341 1 81 TYR H 1 81 TYR HB3 . . 3.980 3.588 3.563 3.627 . 0 0 "[ . 1 . 2]" 1 1342 1 81 TYR H 1 81 TYR QD . . 3.650 2.327 1.960 2.554 . 0 0 "[ . 1 . 2]" 1 1343 1 81 TYR H 1 81 TYR QE . . 4.940 4.661 4.321 4.860 . 0 0 "[ . 1 . 2]" 1 1344 1 81 TYR H 1 82 VAL H . . 4.640 4.544 4.482 4.602 . 0 0 "[ . 1 . 2]" 1 1345 1 81 TYR H 1 82 VAL MG2 . . 4.800 4.559 4.333 4.746 . 0 0 "[ . 1 . 2]" 1 1346 1 81 TYR H 1 99 VAL H . . 3.930 3.758 3.518 3.900 . 0 0 "[ . 1 . 2]" 1 1347 1 81 TYR H 1 99 VAL HB . . 4.540 3.712 3.275 3.913 . 0 0 "[ . 1 . 2]" 1 1348 1 81 TYR H 1 99 VAL MG1 . . 5.040 4.137 3.806 4.444 . 0 0 "[ . 1 . 2]" 1 1349 1 81 TYR H 1 100 MET HA . . 3.960 3.407 3.095 3.818 . 0 0 "[ . 1 . 2]" 1 1350 1 81 TYR H 1 101 ALA H . . 4.460 3.768 3.425 4.292 . 0 0 "[ . 1 . 2]" 1 1351 1 81 TYR HA 1 82 VAL H . . 2.780 2.204 2.169 2.303 . 0 0 "[ . 1 . 2]" 1 1352 1 81 TYR HA 1 99 VAL HB . . 5.470 4.989 4.754 5.309 . 0 0 "[ . 1 . 2]" 1 1353 1 81 TYR HB2 1 82 VAL H . . 4.310 4.163 3.943 4.269 . 0 0 "[ . 1 . 2]" 1 1354 1 81 TYR HB2 1 83 ILE MD . . 4.640 4.392 4.069 4.628 . 0 0 "[ . 1 . 2]" 1 1355 1 81 TYR HB2 1 99 VAL H . . 4.510 4.116 3.862 4.351 . 0 0 "[ . 1 . 2]" 1 1356 1 81 TYR HB2 1 99 VAL HB . . 3.920 2.559 2.338 2.700 . 0 0 "[ . 1 . 2]" 1 1357 1 81 TYR HB2 1 99 VAL MG1 . . 4.320 3.074 2.625 3.626 . 0 0 "[ . 1 . 2]" 1 1358 1 81 TYR HB2 1 99 VAL MG2 . . 4.230 4.079 3.842 4.207 . 0 0 "[ . 1 . 2]" 1 1359 1 81 TYR HB3 1 82 VAL H . . 3.810 3.038 2.691 3.198 . 0 0 "[ . 1 . 2]" 1 1360 1 81 TYR HB3 1 83 ILE MD . . 4.230 3.988 3.730 4.187 . 0 0 "[ . 1 . 2]" 1 1361 1 81 TYR HB3 1 83 ILE HG12 . . 5.110 4.530 4.278 4.768 . 0 0 "[ . 1 . 2]" 1 1362 1 81 TYR HB3 1 99 VAL H . . 5.090 4.925 4.752 5.086 . 0 0 "[ . 1 . 2]" 1 1363 1 81 TYR HB3 1 99 VAL HB . . 4.250 3.467 3.170 3.839 . 0 0 "[ . 1 . 2]" 1 1364 1 81 TYR HB3 1 99 VAL MG1 . . 4.800 4.128 3.657 4.752 . 0 0 "[ . 1 . 2]" 1 1365 1 81 TYR HB3 1 99 VAL MG2 . . 4.620 4.406 4.110 4.624 0.004 18 0 "[ . 1 . 2]" 1 1366 1 81 TYR QD 1 82 VAL H . . 4.290 4.168 3.832 4.291 0.001 5 0 "[ . 1 . 2]" 1 1367 1 81 TYR QD 1 101 ALA H . . 3.960 3.479 2.934 3.797 . 0 0 "[ . 1 . 2]" 1 1368 1 81 TYR QD 1 101 ALA MB . . 4.600 2.922 2.316 3.357 . 0 0 "[ . 1 . 2]" 1 1369 1 81 TYR QE 1 101 ALA H . . 4.720 4.511 4.144 4.706 . 0 0 "[ . 1 . 2]" 1 1370 1 81 TYR QE 1 101 ALA MB . . 3.340 2.873 2.088 3.181 . 0 0 "[ . 1 . 2]" 1 1371 1 82 VAL H 1 82 VAL HB . . 3.790 2.600 2.481 2.692 . 0 0 "[ . 1 . 2]" 1 1372 1 82 VAL H 1 82 VAL MG1 . . 4.050 3.819 3.735 3.865 . 0 0 "[ . 1 . 2]" 1 1373 1 82 VAL H 1 82 VAL MG2 . . 3.480 2.858 2.694 3.054 . 0 0 "[ . 1 . 2]" 1 1374 1 82 VAL H 1 83 ILE H . . 4.550 4.211 4.120 4.296 . 0 0 "[ . 1 . 2]" 1 1375 1 82 VAL HA 1 82 VAL MG1 . . 3.390 2.430 2.329 2.485 . 0 0 "[ . 1 . 2]" 1 1376 1 82 VAL HA 1 82 VAL MG2 . . 3.130 2.321 2.134 2.422 . 0 0 "[ . 1 . 2]" 1 1377 1 82 VAL HA 1 83 ILE H . . 2.980 2.146 2.140 2.152 . 0 0 "[ . 1 . 2]" 1 1378 1 82 VAL HA 1 83 ILE HB . . 4.700 4.645 4.562 4.696 . 0 0 "[ . 1 . 2]" 1 1379 1 82 VAL HA 1 97 PHE H . . 4.850 3.964 3.708 4.120 . 0 0 "[ . 1 . 2]" 1 1380 1 82 VAL HA 1 98 THR HA . . 4.760 3.666 3.269 3.938 . 0 0 "[ . 1 . 2]" 1 1381 1 82 VAL HA 1 99 VAL H . . 4.090 3.738 3.443 3.994 . 0 0 "[ . 1 . 2]" 1 1382 1 82 VAL HA 1 99 VAL HB . . 5.500 4.699 4.324 5.309 . 0 0 "[ . 1 . 2]" 1 1383 1 82 VAL HB 1 84 TYR QD . . 5.500 5.239 4.932 5.483 . 0 0 "[ . 1 . 2]" 1 1384 1 82 VAL HB 1 84 TYR QE . . 4.460 4.169 3.655 4.436 . 0 0 "[ . 1 . 2]" 1 1385 1 82 VAL MG1 1 83 ILE H . . 3.400 2.873 2.548 3.032 . 0 0 "[ . 1 . 2]" 1 1386 1 82 VAL MG1 1 83 ILE HA . . 4.810 3.775 3.663 3.909 . 0 0 "[ . 1 . 2]" 1 1387 1 82 VAL MG1 1 84 TYR HA . . 5.280 4.153 4.015 4.353 . 0 0 "[ . 1 . 2]" 1 1388 1 82 VAL MG1 1 84 TYR QD . . 4.160 3.353 3.078 3.622 . 0 0 "[ . 1 . 2]" 1 1389 1 82 VAL MG1 1 84 TYR QE . . 3.540 2.587 2.220 2.989 . 0 0 "[ . 1 . 2]" 1 1390 1 82 VAL MG1 1 96 PRO HB2 . . 3.330 2.043 1.943 2.364 . 0 0 "[ . 1 . 2]" 1 1391 1 82 VAL MG1 1 96 PRO HB3 . . 2.990 2.456 2.231 2.662 . 0 0 "[ . 1 . 2]" 1 1392 1 82 VAL MG1 1 96 PRO QG . . 3.860 3.010 2.797 3.239 . 0 0 "[ . 1 . 2]" 1 1393 1 82 VAL MG1 1 97 PHE H . . 4.280 3.132 2.742 3.409 . 0 0 "[ . 1 . 2]" 1 1394 1 82 VAL MG2 1 83 ILE H . . 4.270 4.072 3.938 4.153 . 0 0 "[ . 1 . 2]" 1 1395 1 82 VAL MG2 1 98 THR HA . . 4.170 3.677 3.363 4.090 . 0 0 "[ . 1 . 2]" 1 1396 1 83 ILE H 1 83 ILE HB . . 3.460 2.543 2.498 2.592 . 0 0 "[ . 1 . 2]" 1 1397 1 83 ILE H 1 83 ILE MD . . 4.020 3.587 3.369 3.863 . 0 0 "[ . 1 . 2]" 1 1398 1 83 ILE H 1 83 ILE HG12 . . 4.350 3.951 3.796 4.076 . 0 0 "[ . 1 . 2]" 1 1399 1 83 ILE H 1 83 ILE HG13 . . 3.830 2.604 2.504 2.791 . 0 0 "[ . 1 . 2]" 1 1400 1 83 ILE H 1 83 ILE MG . . 4.170 3.807 3.781 3.827 . 0 0 "[ . 1 . 2]" 1 1401 1 83 ILE H 1 84 TYR H . . 4.620 4.426 4.360 4.533 . 0 0 "[ . 1 . 2]" 1 1402 1 83 ILE H 1 96 PRO HB2 . . 4.360 3.995 3.769 4.250 . 0 0 "[ . 1 . 2]" 1 1403 1 83 ILE H 1 97 PHE HB2 . . 4.400 3.026 2.719 3.259 . 0 0 "[ . 1 . 2]" 1 1404 1 83 ILE H 1 98 THR HA . . 4.690 4.606 4.321 4.696 0.006 7 0 "[ . 1 . 2]" 1 1405 1 83 ILE H 1 99 VAL MG2 . . 4.410 3.700 3.258 4.191 . 0 0 "[ . 1 . 2]" 1 1406 1 83 ILE HA 1 83 ILE MD . . 3.900 3.878 3.829 3.907 0.007 11 0 "[ . 1 . 2]" 1 1407 1 83 ILE HA 1 83 ILE HG12 . . 4.150 2.708 2.541 2.799 . 0 0 "[ . 1 . 2]" 1 1408 1 83 ILE HA 1 83 ILE MG . . 3.480 2.365 2.269 2.458 . 0 0 "[ . 1 . 2]" 1 1409 1 83 ILE HA 1 84 TYR H . . 2.890 2.151 2.140 2.209 . 0 0 "[ . 1 . 2]" 1 1410 1 83 ILE HA 1 97 PHE H . . 5.500 4.719 4.570 4.796 . 0 0 "[ . 1 . 2]" 1 1411 1 83 ILE HB 1 83 ILE MD . . 3.400 2.240 2.156 2.419 . 0 0 "[ . 1 . 2]" 1 1412 1 83 ILE HB 1 84 TYR H . . 4.270 4.195 3.994 4.269 . 0 0 "[ . 1 . 2]" 1 1413 1 83 ILE HB 1 85 VAL MG2 . . 4.070 3.726 3.554 3.951 . 0 0 "[ . 1 . 2]" 1 1414 1 83 ILE HB 1 97 PHE H . . 4.060 3.573 3.289 3.901 . 0 0 "[ . 1 . 2]" 1 1415 1 83 ILE HB 1 97 PHE HB2 . . 3.730 2.062 1.998 2.237 . 0 0 "[ . 1 . 2]" 1 1416 1 83 ILE HB 1 97 PHE HB3 . . 4.090 3.290 2.946 3.712 . 0 0 "[ . 1 . 2]" 1 1417 1 83 ILE HB 1 97 PHE QD . . 4.020 3.911 3.393 4.019 . 0 0 "[ . 1 . 2]" 1 1418 1 83 ILE HB 1 99 VAL MG2 . . 4.630 3.571 3.110 4.064 . 0 0 "[ . 1 . 2]" 1 1419 1 83 ILE MD 1 97 PHE HB2 . . 4.440 3.337 3.097 3.692 . 0 0 "[ . 1 . 2]" 1 1420 1 83 ILE MD 1 97 PHE HB3 . . 4.750 3.458 3.115 3.759 . 0 0 "[ . 1 . 2]" 1 1421 1 83 ILE MD 1 97 PHE QD . . 4.500 4.299 3.859 4.500 . 0 0 "[ . 1 . 2]" 1 1422 1 83 ILE MD 1 99 VAL HB . . 4.210 3.323 2.936 3.616 . 0 0 "[ . 1 . 2]" 1 1423 1 83 ILE MD 1 99 VAL MG2 . . 3.380 2.030 1.772 2.369 . 0 0 "[ . 1 . 2]" 1 1424 1 83 ILE HG12 1 83 ILE MG . . 3.340 2.214 2.071 2.372 . 0 0 "[ . 1 . 2]" 1 1425 1 83 ILE HG12 1 84 TYR H . . 4.580 4.482 4.294 4.572 . 0 0 "[ . 1 . 2]" 1 1426 1 83 ILE HG13 1 97 PHE HB2 . . 4.490 4.208 3.856 4.364 . 0 0 "[ . 1 . 2]" 1 1427 1 83 ILE HG13 1 97 PHE HB3 . . 5.470 4.932 4.593 5.271 . 0 0 "[ . 1 . 2]" 1 1428 1 83 ILE HG13 1 99 VAL MG2 . . 3.830 3.254 2.729 3.683 . 0 0 "[ . 1 . 2]" 1 1429 1 83 ILE MG 1 84 TYR H . . 3.720 2.508 2.005 2.768 . 0 0 "[ . 1 . 2]" 1 1430 1 83 ILE MG 1 85 VAL MG2 . . 3.060 2.167 1.899 2.368 . 0 0 "[ . 1 . 2]" 1 1431 1 83 ILE MG 1 97 PHE QD . . 4.170 4.022 3.634 4.169 . 0 0 "[ . 1 . 2]" 1 1432 1 84 TYR H 1 84 TYR HB2 . . 3.480 2.479 2.388 2.584 . 0 0 "[ . 1 . 2]" 1 1433 1 84 TYR H 1 84 TYR HB3 . . 3.760 3.665 3.623 3.738 . 0 0 "[ . 1 . 2]" 1 1434 1 84 TYR H 1 84 TYR QD . . 3.540 3.259 2.938 3.539 . 0 0 "[ . 1 . 2]" 1 1435 1 84 TYR HA 1 84 TYR QD . . 3.760 2.320 2.108 2.665 . 0 0 "[ . 1 . 2]" 1 1436 1 84 TYR HA 1 84 TYR QE . . 4.830 4.425 4.313 4.545 . 0 0 "[ . 1 . 2]" 1 1437 1 84 TYR HA 1 85 VAL H . . 3.130 2.144 2.138 2.165 . 0 0 "[ . 1 . 2]" 1 1438 1 84 TYR HA 1 85 VAL MG2 . . 3.880 3.598 3.349 3.873 . 0 0 "[ . 1 . 2]" 1 1439 1 84 TYR HA 1 96 PRO HB3 . . 4.930 3.928 3.706 4.298 . 0 0 "[ . 1 . 2]" 1 1440 1 84 TYR HA 1 97 PHE H . . 4.230 3.975 3.699 4.223 . 0 0 "[ . 1 . 2]" 1 1441 1 84 TYR HB2 1 85 VAL H . . 4.770 4.287 4.172 4.411 . 0 0 "[ . 1 . 2]" 1 1442 1 84 TYR HB3 1 85 VAL H . . 4.140 3.420 3.190 3.691 . 0 0 "[ . 1 . 2]" 1 1443 1 84 TYR QD 1 96 PRO HB2 . . 4.760 4.146 3.762 4.600 . 0 0 "[ . 1 . 2]" 1 1444 1 84 TYR QD 1 96 PRO HB3 . . 4.270 2.641 2.310 3.139 . 0 0 "[ . 1 . 2]" 1 1445 1 84 TYR QD 1 96 PRO QG . . 4.650 4.348 4.025 4.651 0.001 13 0 "[ . 1 . 2]" 1 1446 1 84 TYR QE 1 96 PRO HB2 . . 4.610 3.718 3.358 4.112 . 0 0 "[ . 1 . 2]" 1 1447 1 84 TYR QE 1 96 PRO HB3 . . 4.170 2.194 2.002 2.485 . 0 0 "[ . 1 . 2]" 1 1448 1 84 TYR QE 1 96 PRO QD . . 4.160 3.533 2.898 4.159 . 0 0 "[ . 1 . 2]" 1 1449 1 84 TYR QE 1 96 PRO QG . . 3.920 3.070 2.653 3.394 . 0 0 "[ . 1 . 2]" 1 1450 1 85 VAL H 1 85 VAL HB . . 3.950 2.743 2.530 2.876 . 0 0 "[ . 1 . 2]" 1 1451 1 85 VAL H 1 85 VAL MG1 . . 4.420 3.888 3.803 3.942 . 0 0 "[ . 1 . 2]" 1 1452 1 85 VAL H 1 85 VAL MG2 . . 3.870 2.715 2.368 2.999 . 0 0 "[ . 1 . 2]" 1 1453 1 85 VAL H 1 86 ARG H . . 4.660 4.378 4.258 4.460 . 0 0 "[ . 1 . 2]" 1 1454 1 85 VAL H 1 92 ILE HG12 . . 4.940 4.406 4.117 4.905 . 0 0 "[ . 1 . 2]" 1 1455 1 85 VAL H 1 92 ILE QG . . 4.350 3.982 3.853 4.141 . 0 0 "[ . 1 . 2]" 1 1456 1 85 VAL H 1 92 ILE HG13 . . 4.940 4.587 4.340 4.855 . 0 0 "[ . 1 . 2]" 1 1457 1 85 VAL H 1 95 SER HA . . 4.810 4.160 3.998 4.319 . 0 0 "[ . 1 . 2]" 1 1458 1 85 VAL H 1 95 SER HB2 . . 4.100 2.917 2.483 3.177 . 0 0 "[ . 1 . 2]" 1 1459 1 85 VAL H 1 95 SER HB3 . . 4.240 3.597 3.305 4.136 . 0 0 "[ . 1 . 2]" 1 1460 1 85 VAL H 1 96 PRO HA . . 4.240 3.810 3.673 4.065 . 0 0 "[ . 1 . 2]" 1 1461 1 85 VAL H 1 97 PHE QD . . 3.990 3.728 3.031 3.991 0.001 2 0 "[ . 1 . 2]" 1 1462 1 85 VAL HA 1 85 VAL MG1 . . 3.480 2.353 2.142 2.477 . 0 0 "[ . 1 . 2]" 1 1463 1 85 VAL HA 1 85 VAL MG2 . . 3.450 2.432 2.262 2.556 . 0 0 "[ . 1 . 2]" 1 1464 1 85 VAL HA 1 86 ARG H . . 2.980 2.184 2.142 2.235 . 0 0 "[ . 1 . 2]" 1 1465 1 85 VAL HA 1 86 ARG HA . . 4.520 4.425 4.395 4.453 . 0 0 "[ . 1 . 2]" 1 1466 1 85 VAL HA 1 86 ARG HB3 . . 4.690 4.266 4.150 4.490 . 0 0 "[ . 1 . 2]" 1 1467 1 85 VAL HB 1 86 ARG H . . 4.600 4.019 3.731 4.231 . 0 0 "[ . 1 . 2]" 1 1468 1 85 VAL HB 1 86 ARG HA . . 4.790 4.594 4.366 4.745 . 0 0 "[ . 1 . 2]" 1 1469 1 85 VAL HB 1 92 ILE H . . 4.960 4.650 4.194 4.932 . 0 0 "[ . 1 . 2]" 1 1470 1 85 VAL HB 1 92 ILE MD . . 3.790 1.998 1.868 2.347 . 0 0 "[ . 1 . 2]" 1 1471 1 85 VAL HB 1 92 ILE HG12 . . 4.050 3.080 2.682 3.368 . 0 0 "[ . 1 . 2]" 1 1472 1 85 VAL HB 1 92 ILE QG . . 3.500 2.886 2.559 3.057 . 0 0 "[ . 1 . 2]" 1 1473 1 85 VAL HB 1 92 ILE HG13 . . 4.050 3.507 3.163 3.704 . 0 0 "[ . 1 . 2]" 1 1474 1 85 VAL HB 1 95 SER HB2 . . 4.450 3.250 3.043 3.466 . 0 0 "[ . 1 . 2]" 1 1475 1 85 VAL HB 1 95 SER HB3 . . 5.010 4.761 4.427 5.010 . 0 0 "[ . 1 . 2]" 1 1476 1 85 VAL HB 1 97 PHE QD . . 4.570 3.944 3.482 4.414 . 0 0 "[ . 1 . 2]" 1 1477 1 85 VAL HB 1 97 PHE QE . . 4.050 2.792 2.008 3.549 . 0 0 "[ . 1 . 2]" 1 1478 1 85 VAL HB 1 97 PHE HZ . . 4.990 4.131 3.296 4.664 . 0 0 "[ . 1 . 2]" 1 1479 1 85 VAL MG1 1 86 ARG H . . 3.390 2.341 1.886 2.873 . 0 0 "[ . 1 . 2]" 1 1480 1 85 VAL MG2 1 86 ARG H . . 4.900 4.037 3.859 4.264 . 0 0 "[ . 1 . 2]" 1 1481 1 85 VAL MG2 1 97 PHE QD . . 3.700 3.228 2.558 3.693 . 0 0 "[ . 1 . 2]" 1 1482 1 85 VAL MG2 1 97 PHE QE . . 4.450 3.240 2.443 3.863 . 0 0 "[ . 1 . 2]" 1 1483 1 86 ARG H 1 86 ARG HB2 . . 4.090 3.773 3.459 3.958 . 0 0 "[ . 1 . 2]" 1 1484 1 86 ARG H 1 86 ARG QD . . 4.820 4.462 4.235 4.727 . 0 0 "[ . 1 . 2]" 1 1485 1 86 ARG H 1 86 ARG QG . . 3.830 3.007 2.212 3.792 . 0 0 "[ . 1 . 2]" 1 1486 1 86 ARG H 1 87 PHE H . . 4.580 4.382 4.298 4.412 . 0 0 "[ . 1 . 2]" 1 1487 1 86 ARG H 1 87 PHE HA . . 4.910 4.750 4.684 4.866 . 0 0 "[ . 1 . 2]" 1 1488 1 86 ARG HA 1 86 ARG HG2 . . 4.150 3.602 3.413 3.825 . 0 0 "[ . 1 . 2]" 1 1489 1 86 ARG HA 1 86 ARG HG3 . . 4.150 3.429 2.890 3.887 . 0 0 "[ . 1 . 2]" 1 1490 1 86 ARG HA 1 87 PHE H . . 2.970 2.323 2.177 2.530 . 0 0 "[ . 1 . 2]" 1 1491 1 86 ARG HA 1 87 PHE QB . . 5.340 3.973 3.923 4.025 . 0 0 "[ . 1 . 2]" 1 1492 1 86 ARG HA 1 90 VAL H . . 4.430 4.174 3.965 4.424 . 0 0 "[ . 1 . 2]" 1 1493 1 86 ARG HA 1 91 ASP HA . . 3.700 2.360 2.170 2.651 . 0 0 "[ . 1 . 2]" 1 1494 1 86 ARG HA 1 92 ILE H . . 3.820 2.568 2.122 3.088 . 0 0 "[ . 1 . 2]" 1 1495 1 86 ARG HA 1 92 ILE MG . . 4.030 3.573 3.008 4.036 0.006 15 0 "[ . 1 . 2]" 1 1496 1 86 ARG HB2 1 86 ARG HD2 . . 4.170 3.154 2.520 3.845 . 0 0 "[ . 1 . 2]" 1 1497 1 86 ARG HB2 1 86 ARG HD3 . . 4.170 3.110 2.623 3.783 . 0 0 "[ . 1 . 2]" 1 1498 1 86 ARG HB2 1 87 PHE H . . 4.060 3.038 2.194 3.853 . 0 0 "[ . 1 . 2]" 1 1499 1 86 ARG HB2 1 89 GLY H . . 5.050 4.253 3.466 5.055 0.005 11 0 "[ . 1 . 2]" 1 1500 1 86 ARG HB2 1 90 VAL H . . 4.350 3.351 2.421 4.352 0.002 9 0 "[ . 1 . 2]" 1 1501 1 86 ARG HB2 1 91 ASP HA . . 3.970 2.822 2.365 3.106 . 0 0 "[ . 1 . 2]" 1 1502 1 86 ARG HB3 1 86 ARG HD2 . . 4.010 3.072 2.278 3.603 . 0 0 "[ . 1 . 2]" 1 1503 1 86 ARG HB3 1 86 ARG HD3 . . 4.010 2.847 2.261 3.724 . 0 0 "[ . 1 . 2]" 1 1504 1 86 ARG HB3 1 87 PHE H . . 4.330 4.052 3.651 4.321 . 0 0 "[ . 1 . 2]" 1 1505 1 86 ARG HB3 1 89 GLY H . . 5.340 5.005 4.813 5.334 . 0 0 "[ . 1 . 2]" 1 1506 1 86 ARG HB3 1 89 GLY HA2 . . 5.310 4.998 4.716 5.303 . 0 0 "[ . 1 . 2]" 1 1507 1 86 ARG HB3 1 90 VAL H . . 5.110 4.661 4.149 5.103 . 0 0 "[ . 1 . 2]" 1 1508 1 86 ARG HB3 1 91 ASP HA . . 4.560 3.399 2.256 4.567 0.007 15 0 "[ . 1 . 2]" 1 1509 1 86 ARG QD 1 89 GLY HA2 . . 4.340 2.380 1.988 3.074 . 0 0 "[ . 1 . 2]" 1 1510 1 86 ARG QD 1 89 GLY HA3 . . 4.630 3.976 3.580 4.608 . 0 0 "[ . 1 . 2]" 1 1511 1 86 ARG QD 1 90 VAL H . . 4.490 3.771 2.740 4.464 . 0 0 "[ . 1 . 2]" 1 1512 1 86 ARG HD2 1 89 GLY HA2 . . 5.010 3.099 2.023 3.699 . 0 0 "[ . 1 . 2]" 1 1513 1 86 ARG HD2 1 89 GLY HA3 . . 5.500 4.827 3.684 5.422 . 0 0 "[ . 1 . 2]" 1 1514 1 86 ARG HD3 1 89 GLY HA2 . . 5.010 2.924 1.998 3.719 . 0 0 "[ . 1 . 2]" 1 1515 1 86 ARG HD3 1 89 GLY HA3 . . 5.500 4.626 3.643 5.475 . 0 0 "[ . 1 . 2]" 1 1516 1 86 ARG QG 1 90 VAL H . . 4.230 2.665 2.010 3.403 . 0 0 "[ . 1 . 2]" 1 1517 1 86 ARG HG2 1 87 PHE H . . 4.270 3.853 3.059 4.271 0.001 12 0 "[ . 1 . 2]" 1 1518 1 86 ARG HG2 1 90 VAL H . . 4.970 4.112 3.120 4.973 0.003 6 0 "[ . 1 . 2]" 1 1519 1 86 ARG HG3 1 87 PHE H . . 4.270 3.066 2.473 3.661 . 0 0 "[ . 1 . 2]" 1 1520 1 86 ARG HG3 1 90 VAL H . . 4.970 2.701 2.033 3.465 . 0 0 "[ . 1 . 2]" 1 1521 1 87 PHE H 1 87 PHE HB2 . . 3.810 3.167 2.969 3.336 . 0 0 "[ . 1 . 2]" 1 1522 1 87 PHE H 1 87 PHE QB . . 3.330 2.507 2.389 2.616 . 0 0 "[ . 1 . 2]" 1 1523 1 87 PHE H 1 87 PHE HB3 . . 3.810 2.635 2.470 2.811 . 0 0 "[ . 1 . 2]" 1 1524 1 87 PHE H 1 87 PHE QD . . 4.610 4.214 4.000 4.385 . 0 0 "[ . 1 . 2]" 1 1525 1 87 PHE H 1 88 GLY H . . 4.540 4.157 3.906 4.317 . 0 0 "[ . 1 . 2]" 1 1526 1 87 PHE H 1 89 GLY H . . 4.530 3.829 3.323 4.245 . 0 0 "[ . 1 . 2]" 1 1527 1 87 PHE H 1 90 VAL H . . 3.380 2.545 2.208 2.750 . 0 0 "[ . 1 . 2]" 1 1528 1 87 PHE H 1 90 VAL HA . . 5.000 4.463 4.188 4.627 . 0 0 "[ . 1 . 2]" 1 1529 1 87 PHE H 1 90 VAL HB . . 4.240 3.261 2.893 3.846 . 0 0 "[ . 1 . 2]" 1 1530 1 87 PHE H 1 91 ASP HA . . 4.110 3.730 3.432 4.098 . 0 0 "[ . 1 . 2]" 1 1531 1 87 PHE H 1 92 ILE H . . 4.470 3.682 3.430 4.149 . 0 0 "[ . 1 . 2]" 1 1532 1 87 PHE H 1 92 ILE MG . . 3.980 3.662 3.251 3.981 0.001 15 0 "[ . 1 . 2]" 1 1533 1 87 PHE HA 1 87 PHE QD . . 4.190 2.817 2.326 3.173 . 0 0 "[ . 1 . 2]" 1 1534 1 87 PHE HA 1 88 GLY H . . 3.100 2.151 2.142 2.193 . 0 0 "[ . 1 . 2]" 1 1535 1 87 PHE HA 1 88 GLY HA2 . . 4.840 4.384 4.380 4.400 . 0 0 "[ . 1 . 2]" 1 1536 1 87 PHE HA 1 88 GLY HA3 . . 4.840 4.372 4.338 4.398 . 0 0 "[ . 1 . 2]" 1 1537 1 87 PHE QB 1 90 VAL H . . 5.340 4.048 3.800 4.252 . 0 0 "[ . 1 . 2]" 1 1538 1 87 PHE HB2 1 88 GLY H . . 4.670 4.345 4.190 4.479 . 0 0 "[ . 1 . 2]" 1 1539 1 87 PHE HB2 1 92 ILE MG . . 3.640 3.329 3.023 3.616 . 0 0 "[ . 1 . 2]" 1 1540 1 87 PHE HB3 1 88 GLY H . . 4.670 4.380 4.255 4.459 . 0 0 "[ . 1 . 2]" 1 1541 1 87 PHE HB3 1 92 ILE MG . . 3.640 3.320 3.085 3.633 . 0 0 "[ . 1 . 2]" 1 1542 1 87 PHE QD 1 88 GLY H . . 4.310 3.793 3.362 4.010 . 0 0 "[ . 1 . 2]" 1 1543 1 87 PHE QD 1 92 ILE MG . . 4.630 4.502 4.350 4.630 0.000 8 0 "[ . 1 . 2]" 1 1544 1 88 GLY QA 1 90 VAL H . . 4.220 3.948 3.822 4.164 . 0 0 "[ . 1 . 2]" 1 1545 1 88 GLY HA2 1 90 VAL H . . 4.920 4.638 4.446 4.859 . 0 0 "[ . 1 . 2]" 1 1546 1 88 GLY HA3 1 90 VAL H . . 4.920 4.278 4.090 4.530 . 0 0 "[ . 1 . 2]" 1 1547 1 89 GLY H 1 90 VAL H . . 3.790 2.356 2.062 2.600 . 0 0 "[ . 1 . 2]" 1 1548 1 90 VAL H 1 90 VAL HB . . 3.100 2.771 2.648 2.889 . 0 0 "[ . 1 . 2]" 1 1549 1 90 VAL H 1 90 VAL MG1 . . 4.060 3.900 3.850 3.952 . 0 0 "[ . 1 . 2]" 1 1550 1 90 VAL H 1 90 VAL MG2 . . 3.180 2.815 2.535 3.003 . 0 0 "[ . 1 . 2]" 1 1551 1 90 VAL H 1 91 ASP H . . 4.440 4.086 3.914 4.312 . 0 0 "[ . 1 . 2]" 1 1552 1 90 VAL H 1 91 ASP HA . . 4.880 4.682 4.569 4.886 0.006 6 0 "[ . 1 . 2]" 1 1553 1 90 VAL HA 1 90 VAL MG1 . . 3.320 2.356 2.221 2.459 . 0 0 "[ . 1 . 2]" 1 1554 1 90 VAL HA 1 90 VAL MG2 . . 3.080 2.407 2.272 2.518 . 0 0 "[ . 1 . 2]" 1 1555 1 90 VAL HA 1 91 ASP H . . 2.900 2.155 2.139 2.183 . 0 0 "[ . 1 . 2]" 1 1556 1 90 VAL HA 1 91 ASP HA . . 4.550 4.415 4.374 4.454 . 0 0 "[ . 1 . 2]" 1 1557 1 90 VAL HA 1 91 ASP HB2 . . 4.810 4.540 4.414 4.626 . 0 0 "[ . 1 . 2]" 1 1558 1 90 VAL HA 1 91 ASP HB3 . . 4.810 4.683 4.631 4.815 0.005 14 0 "[ . 1 . 2]" 1 1559 1 90 VAL HB 1 91 ASP H . . 4.470 4.315 4.137 4.417 . 0 0 "[ . 1 . 2]" 1 1560 1 90 VAL MG1 1 91 ASP H . . 3.400 2.936 2.673 3.198 . 0 0 "[ . 1 . 2]" 1 1561 1 90 VAL MG2 1 91 ASP H . . 4.230 4.173 3.961 4.242 0.012 15 0 "[ . 1 . 2]" 1 1562 1 91 ASP H 1 91 ASP HB2 . . 3.720 2.498 2.362 2.615 . 0 0 "[ . 1 . 2]" 1 1563 1 91 ASP H 1 91 ASP QB . . 3.140 2.260 2.227 2.293 . 0 0 "[ . 1 . 2]" 1 1564 1 91 ASP H 1 91 ASP HB3 . . 3.720 2.590 2.536 2.727 . 0 0 "[ . 1 . 2]" 1 1565 1 91 ASP H 1 92 ILE H . . 4.750 4.336 4.149 4.517 . 0 0 "[ . 1 . 2]" 1 1566 1 91 ASP HA 1 92 ILE H . . 3.170 2.170 2.141 2.230 . 0 0 "[ . 1 . 2]" 1 1567 1 91 ASP HB2 1 92 ILE H . . 4.680 4.476 4.342 4.557 . 0 0 "[ . 1 . 2]" 1 1568 1 91 ASP HB2 1 95 SER HB2 . . 5.500 5.499 5.437 5.526 0.026 18 0 "[ . 1 . 2]" 1 1569 1 91 ASP HB2 1 95 SER HB3 . . 4.600 4.471 4.325 4.567 . 0 0 "[ . 1 . 2]" 1 1570 1 91 ASP HB3 1 92 ILE H . . 4.680 4.353 4.172 4.445 . 0 0 "[ . 1 . 2]" 1 1571 1 91 ASP HB3 1 95 SER HB2 . . 5.500 5.462 5.302 5.534 0.034 12 0 "[ . 1 . 2]" 1 1572 1 91 ASP HB3 1 95 SER HB3 . . 4.600 4.306 3.812 4.487 . 0 0 "[ . 1 . 2]" 1 1573 1 92 ILE H 1 92 ILE MD . . 4.070 3.488 3.223 3.611 . 0 0 "[ . 1 . 2]" 1 1574 1 92 ILE H 1 92 ILE HG12 . . 3.570 1.900 1.863 1.957 . 0 0 "[ . 1 . 2]" 1 1575 1 92 ILE H 1 92 ILE HG13 . . 3.570 2.920 2.279 3.384 . 0 0 "[ . 1 . 2]" 1 1576 1 92 ILE H 1 92 ILE MG . . 3.250 2.498 2.289 2.771 . 0 0 "[ . 1 . 2]" 1 1577 1 92 ILE H 1 95 SER H . . 4.640 4.576 4.262 4.674 0.034 9 0 "[ . 1 . 2]" 1 1578 1 92 ILE H 1 95 SER HB2 . . 4.070 3.832 3.561 4.108 0.038 8 0 "[ . 1 . 2]" 1 1579 1 92 ILE H 1 95 SER HB3 . . 4.440 4.243 3.534 4.458 0.018 12 0 "[ . 1 . 2]" 1 1580 1 92 ILE HA 1 92 ILE MD . . 4.520 4.155 4.109 4.180 . 0 0 "[ . 1 . 2]" 1 1581 1 92 ILE HA 1 92 ILE MG . . 3.540 2.150 2.017 2.259 . 0 0 "[ . 1 . 2]" 1 1582 1 92 ILE HA 1 93 PRO QB . . 5.100 4.578 4.568 4.598 . 0 0 "[ . 1 . 2]" 1 1583 1 92 ILE HA 1 93 PRO HD2 . . 3.520 2.441 2.402 2.515 . 0 0 "[ . 1 . 2]" 1 1584 1 92 ILE HA 1 93 PRO HD3 . . 3.940 2.317 2.300 2.351 . 0 0 "[ . 1 . 2]" 1 1585 1 92 ILE HA 1 93 PRO QG . . 5.110 4.028 4.003 4.076 . 0 0 "[ . 1 . 2]" 1 1586 1 92 ILE HB 1 92 ILE MD . . 3.380 2.415 2.287 2.584 . 0 0 "[ . 1 . 2]" 1 1587 1 92 ILE HB 1 93 PRO HD2 . . 3.690 1.993 1.985 2.002 . 0 0 "[ . 1 . 2]" 1 1588 1 92 ILE HB 1 93 PRO HD3 . . 3.830 3.443 3.435 3.448 . 0 0 "[ . 1 . 2]" 1 1589 1 92 ILE HB 1 94 ASN H . . 3.970 2.344 2.216 2.449 . 0 0 "[ . 1 . 2]" 1 1590 1 92 ILE HB 1 94 ASN HD21 . . 5.500 3.613 2.306 5.483 . 0 0 "[ . 1 . 2]" 1 1591 1 92 ILE HB 1 94 ASN QD . . 4.720 3.402 2.281 4.725 0.005 8 0 "[ . 1 . 2]" 1 1592 1 92 ILE HB 1 94 ASN HD22 . . 5.500 4.747 3.624 5.160 . 0 0 "[ . 1 . 2]" 1 1593 1 92 ILE HB 1 95 SER H . . 4.900 3.779 3.432 3.973 . 0 0 "[ . 1 . 2]" 1 1594 1 92 ILE MD 1 92 ILE MG . . 2.980 2.032 1.878 2.229 . 0 0 "[ . 1 . 2]" 1 1595 1 92 ILE MD 1 95 SER H . . 4.750 3.622 3.045 3.922 . 0 0 "[ . 1 . 2]" 1 1596 1 92 ILE MD 1 95 SER HB2 . . 3.980 3.091 2.969 3.380 . 0 0 "[ . 1 . 2]" 1 1597 1 92 ILE MD 1 95 SER HB3 . . 4.780 4.462 3.964 4.582 . 0 0 "[ . 1 . 2]" 1 1598 1 92 ILE MD 1 97 PHE QE . . 3.760 1.950 1.808 2.064 . 0 0 "[ . 1 . 2]" 1 1599 1 92 ILE MD 1 97 PHE HZ . . 3.890 2.150 1.817 2.724 . 0 0 "[ . 1 . 2]" 1 1600 1 92 ILE QG 1 92 ILE MG . . 3.270 2.308 2.129 2.461 . 0 0 "[ . 1 . 2]" 1 1601 1 92 ILE QG 1 93 PRO HD2 . . 4.200 3.954 3.854 4.027 . 0 0 "[ . 1 . 2]" 1 1602 1 92 ILE QG 1 93 PRO HD3 . . 5.190 4.825 4.763 4.869 . 0 0 "[ . 1 . 2]" 1 1603 1 92 ILE QG 1 95 SER H . . 3.800 2.396 2.115 2.671 . 0 0 "[ . 1 . 2]" 1 1604 1 92 ILE QG 1 97 PHE QD . . 5.330 4.420 4.041 4.754 . 0 0 "[ . 1 . 2]" 1 1605 1 92 ILE QG 1 97 PHE HZ . . 4.680 3.760 2.985 4.364 . 0 0 "[ . 1 . 2]" 1 1606 1 92 ILE HG12 1 92 ILE MG . . 3.750 2.372 2.163 2.565 . 0 0 "[ . 1 . 2]" 1 1607 1 92 ILE HG12 1 93 PRO HD2 . . 4.780 4.743 4.667 4.779 . 0 0 "[ . 1 . 2]" 1 1608 1 92 ILE HG12 1 95 SER H . . 4.440 3.974 3.472 4.443 0.003 4 0 "[ . 1 . 2]" 1 1609 1 92 ILE HG12 1 95 SER HB2 . . 4.380 2.950 2.401 3.943 . 0 0 "[ . 1 . 2]" 1 1610 1 92 ILE HG12 1 95 SER HB3 . . 4.690 4.067 3.411 4.694 0.004 19 0 "[ . 1 . 2]" 1 1611 1 92 ILE HG12 1 97 PHE HZ . . 5.500 4.806 4.158 5.484 . 0 0 "[ . 1 . 2]" 1 1612 1 92 ILE HG13 1 92 ILE MG . . 3.750 3.185 3.166 3.201 . 0 0 "[ . 1 . 2]" 1 1613 1 92 ILE HG13 1 93 PRO HD2 . . 4.780 4.235 4.085 4.382 . 0 0 "[ . 1 . 2]" 1 1614 1 92 ILE HG13 1 95 SER H . . 4.440 2.416 2.130 2.693 . 0 0 "[ . 1 . 2]" 1 1615 1 92 ILE HG13 1 95 SER HB2 . . 4.380 2.216 1.997 2.709 . 0 0 "[ . 1 . 2]" 1 1616 1 92 ILE HG13 1 95 SER HB3 . . 4.690 3.416 2.625 3.760 . 0 0 "[ . 1 . 2]" 1 1617 1 92 ILE HG13 1 97 PHE HZ . . 5.500 3.945 3.059 4.583 . 0 0 "[ . 1 . 2]" 1 1618 1 92 ILE MG 1 93 PRO HD2 . . 4.200 2.627 2.248 2.861 . 0 0 "[ . 1 . 2]" 1 1619 1 92 ILE MG 1 93 PRO HD3 . . 4.060 3.400 2.970 3.587 . 0 0 "[ . 1 . 2]" 1 1620 1 93 PRO HA 1 94 ASN H . . 3.400 3.292 3.283 3.322 . 0 0 "[ . 1 . 2]" 1 1621 1 93 PRO HA 1 94 ASN HA . . 4.600 4.582 4.564 4.607 0.007 3 0 "[ . 1 . 2]" 1 1622 1 93 PRO HA 1 95 SER H . . 4.360 3.902 3.724 4.333 . 0 0 "[ . 1 . 2]" 1 1623 1 93 PRO QB 1 94 ASN H . . 4.110 3.729 3.689 3.738 . 0 0 "[ . 1 . 2]" 1 1624 1 93 PRO QB 1 94 ASN QD . . 4.760 3.806 3.139 4.419 . 0 0 "[ . 1 . 2]" 1 1625 1 93 PRO QG 1 94 ASN H . . 4.900 3.293 3.201 3.314 . 0 0 "[ . 1 . 2]" 1 1626 1 93 PRO QG 1 94 ASN QD . . 4.750 2.650 1.947 3.229 . 0 0 "[ . 1 . 2]" 1 1627 1 94 ASN H 1 94 ASN QD . . 3.790 2.975 1.824 3.704 . 0 0 "[ . 1 . 2]" 1 1628 1 94 ASN H 1 95 SER H . . 3.650 2.107 2.057 2.153 . 0 0 "[ . 1 . 2]" 1 1629 1 94 ASN HA 1 94 ASN QD . . 4.120 3.110 2.030 3.736 . 0 0 "[ . 1 . 2]" 1 1630 1 94 ASN HA 1 94 ASN HD22 . . 4.950 4.026 3.601 4.349 . 0 0 "[ . 1 . 2]" 1 1631 1 94 ASN QB 1 94 ASN QD . . 3.060 2.275 2.068 2.550 . 0 0 "[ . 1 . 2]" 1 1632 1 94 ASN QB 1 95 SER H . . 3.790 3.170 2.764 3.341 . 0 0 "[ . 1 . 2]" 1 1633 1 94 ASN QB 1 95 SER HA . . 4.270 4.051 3.896 4.117 . 0 0 "[ . 1 . 2]" 1 1634 1 94 ASN QB 1 95 SER HB2 . . 5.180 4.230 4.037 4.659 . 0 0 "[ . 1 . 2]" 1 1635 1 94 ASN QB 1 97 PHE QD . . 4.200 3.812 3.627 4.206 0.006 15 0 "[ . 1 . 2]" 1 1636 1 94 ASN QB 1 97 PHE QE . . 3.540 2.557 1.966 3.138 . 0 0 "[ . 1 . 2]" 1 1637 1 94 ASN QB 1 97 PHE HZ . . 3.890 2.220 1.934 2.758 . 0 0 "[ . 1 . 2]" 1 1638 1 94 ASN HB2 1 95 SER HA . . 4.970 4.650 4.179 4.878 . 0 0 "[ . 1 . 2]" 1 1639 1 94 ASN HB2 1 97 PHE QE . . 4.070 2.868 1.984 3.715 . 0 0 "[ . 1 . 2]" 1 1640 1 94 ASN HB2 1 97 PHE HZ . . 4.470 2.398 1.998 3.111 . 0 0 "[ . 1 . 2]" 1 1641 1 94 ASN HB3 1 95 SER HA . . 4.970 4.518 4.172 4.964 . 0 0 "[ . 1 . 2]" 1 1642 1 94 ASN HB3 1 97 PHE QE . . 4.070 3.020 2.514 3.804 . 0 0 "[ . 1 . 2]" 1 1643 1 94 ASN HB3 1 97 PHE HZ . . 4.470 2.725 2.265 3.778 . 0 0 "[ . 1 . 2]" 1 1644 1 95 SER H 1 95 SER HB2 . . 3.500 2.499 2.271 3.047 . 0 0 "[ . 1 . 2]" 1 1645 1 95 SER H 1 95 SER HB3 . . 3.190 2.801 2.253 2.916 . 0 0 "[ . 1 . 2]" 1 1646 1 95 SER H 1 96 PRO HA . . 5.020 4.795 4.755 4.806 . 0 0 "[ . 1 . 2]" 1 1647 1 95 SER H 1 97 PHE QD . . 5.040 4.409 4.157 4.901 . 0 0 "[ . 1 . 2]" 1 1648 1 95 SER H 1 97 PHE HZ . . 5.500 4.849 4.232 5.517 0.017 8 0 "[ . 1 . 2]" 1 1649 1 95 SER HA 1 96 PRO HA . . 3.560 2.235 2.215 2.314 . 0 0 "[ . 1 . 2]" 1 1650 1 95 SER HA 1 97 PHE H . . 3.820 3.428 3.211 3.633 . 0 0 "[ . 1 . 2]" 1 1651 1 95 SER HA 1 97 PHE HA . . 4.400 3.743 3.652 3.841 . 0 0 "[ . 1 . 2]" 1 1652 1 95 SER HA 1 97 PHE QD . . 3.970 2.140 1.987 2.703 . 0 0 "[ . 1 . 2]" 1 1653 1 95 SER HA 1 97 PHE QE . . 4.690 2.958 2.616 3.329 . 0 0 "[ . 1 . 2]" 1 1654 1 95 SER HB2 1 96 PRO HA . . 4.680 3.707 3.008 3.810 . 0 0 "[ . 1 . 2]" 1 1655 1 95 SER HB2 1 97 PHE QD . . 3.780 3.426 2.942 3.637 . 0 0 "[ . 1 . 2]" 1 1656 1 95 SER HB2 1 97 PHE QE . . 4.330 2.577 2.099 3.168 . 0 0 "[ . 1 . 2]" 1 1657 1 95 SER HB3 1 96 PRO HA . . 5.020 3.472 3.346 3.822 . 0 0 "[ . 1 . 2]" 1 1658 1 95 SER HB3 1 97 PHE QD . . 4.570 4.428 4.314 4.569 . 0 0 "[ . 1 . 2]" 1 1659 1 96 PRO HA 1 97 PHE H . . 3.140 2.481 2.377 2.576 . 0 0 "[ . 1 . 2]" 1 1660 1 96 PRO HB2 1 97 PHE H . . 3.990 2.420 2.205 2.673 . 0 0 "[ . 1 . 2]" 1 1661 1 96 PRO HB3 1 97 PHE H . . 4.080 3.360 3.262 3.484 . 0 0 "[ . 1 . 2]" 1 1662 1 96 PRO QG 1 97 PHE H . . 4.950 4.027 3.864 4.206 . 0 0 "[ . 1 . 2]" 1 1663 1 97 PHE H 1 97 PHE HB2 . . 3.670 2.418 2.353 2.553 . 0 0 "[ . 1 . 2]" 1 1664 1 97 PHE H 1 97 PHE HB3 . . 3.980 3.626 3.549 3.727 . 0 0 "[ . 1 . 2]" 1 1665 1 97 PHE H 1 97 PHE QD . . 3.380 2.723 2.463 2.972 . 0 0 "[ . 1 . 2]" 1 1666 1 97 PHE H 1 98 THR H . . 4.580 4.149 4.019 4.336 . 0 0 "[ . 1 . 2]" 1 1667 1 97 PHE HA 1 97 PHE QD . . 4.060 3.003 2.733 3.124 . 0 0 "[ . 1 . 2]" 1 1668 1 97 PHE HA 1 98 THR H . . 2.770 2.166 2.137 2.186 . 0 0 "[ . 1 . 2]" 1 1669 1 97 PHE HA 1 98 THR HB . . 4.910 4.654 4.608 4.736 . 0 0 "[ . 1 . 2]" 1 1670 1 97 PHE HB2 1 98 THR H . . 4.770 4.512 4.366 4.582 . 0 0 "[ . 1 . 2]" 1 1671 1 97 PHE HB2 1 99 VAL MG2 . . 4.370 3.572 3.349 3.944 . 0 0 "[ . 1 . 2]" 1 1672 1 97 PHE HB3 1 98 THR H . . 3.870 3.766 3.484 3.881 0.011 8 0 "[ . 1 . 2]" 1 1673 1 97 PHE HB3 1 99 VAL MG2 . . 4.260 2.796 2.650 2.971 . 0 0 "[ . 1 . 2]" 1 1674 1 97 PHE QD 1 98 THR H . . 4.790 4.604 4.443 4.698 . 0 0 "[ . 1 . 2]" 1 1675 1 98 THR H 1 98 THR HB . . 3.140 2.555 2.487 2.652 . 0 0 "[ . 1 . 2]" 1 1676 1 98 THR H 1 98 THR MG . . 3.930 3.769 3.762 3.778 . 0 0 "[ . 1 . 2]" 1 1677 1 98 THR H 1 99 VAL H . . 4.560 4.409 4.300 4.565 0.005 14 0 "[ . 1 . 2]" 1 1678 1 98 THR HA 1 98 THR MG . . 3.410 2.353 2.238 2.462 . 0 0 "[ . 1 . 2]" 1 1679 1 98 THR HA 1 99 VAL H . . 2.950 2.154 2.142 2.174 . 0 0 "[ . 1 . 2]" 1 1680 1 98 THR HA 1 99 VAL HB . . 4.880 4.682 4.551 4.858 . 0 0 "[ . 1 . 2]" 1 1681 1 98 THR HA 1 99 VAL MG2 . . 4.700 3.807 3.573 3.940 . 0 0 "[ . 1 . 2]" 1 1682 1 98 THR HB 1 99 VAL H . . 4.470 4.324 4.077 4.414 . 0 0 "[ . 1 . 2]" 1 1683 1 98 THR MG 1 99 VAL H . . 3.380 2.880 2.271 3.152 . 0 0 "[ . 1 . 2]" 1 1684 1 98 THR MG 1 99 VAL HA . . 4.410 3.700 3.456 3.898 . 0 0 "[ . 1 . 2]" 1 1685 1 99 VAL H 1 99 VAL HB . . 3.470 2.697 2.580 2.877 . 0 0 "[ . 1 . 2]" 1 1686 1 99 VAL H 1 99 VAL MG1 . . 4.160 3.870 3.817 3.931 . 0 0 "[ . 1 . 2]" 1 1687 1 99 VAL H 1 99 VAL MG2 . . 3.450 2.842 2.535 3.021 . 0 0 "[ . 1 . 2]" 1 1688 1 99 VAL H 1 100 MET H . . 4.620 4.210 3.893 4.451 . 0 0 "[ . 1 . 2]" 1 1689 1 99 VAL HA 1 99 VAL MG1 . . 3.310 2.368 2.199 2.450 . 0 0 "[ . 1 . 2]" 1 1690 1 99 VAL HA 1 99 VAL MG2 . . 3.220 2.364 2.276 2.532 . 0 0 "[ . 1 . 2]" 1 1691 1 99 VAL HA 1 100 MET H . . 2.750 2.152 2.141 2.209 . 0 0 "[ . 1 . 2]" 1 1692 1 99 VAL HA 1 100 MET HA . . 4.860 4.397 4.381 4.418 . 0 0 "[ . 1 . 2]" 1 1693 1 99 VAL HA 1 100 MET HB2 . . 5.020 4.509 4.333 4.808 . 0 0 "[ . 1 . 2]" 1 1694 1 99 VAL HA 1 100 MET QB . . 4.260 4.086 3.997 4.139 . 0 0 "[ . 1 . 2]" 1 1695 1 99 VAL HA 1 100 MET HB3 . . 5.020 4.700 4.473 4.941 . 0 0 "[ . 1 . 2]" 1 1696 1 99 VAL HB 1 100 MET H . . 4.510 4.275 3.980 4.397 . 0 0 "[ . 1 . 2]" 1 1697 1 99 VAL MG1 1 100 MET H . . 3.400 2.675 2.148 3.003 . 0 0 "[ . 1 . 2]" 1 1698 1 99 VAL MG1 1 101 ALA HA . . 4.510 3.962 3.827 4.214 . 0 0 "[ . 1 . 2]" 1 1699 1 99 VAL MG2 1 100 MET H . . 4.280 4.098 3.932 4.257 . 0 0 "[ . 1 . 2]" 1 1700 1 100 MET H 1 100 MET HB2 . . 3.300 2.743 2.439 3.043 . 0 0 "[ . 1 . 2]" 1 1701 1 100 MET H 1 100 MET HB3 . . 3.300 2.593 2.348 2.785 . 0 0 "[ . 1 . 2]" 1 1702 1 100 MET H 1 100 MET HG2 . . 4.800 4.614 4.271 4.800 . 0 0 "[ . 1 . 2]" 1 1703 1 100 MET H 1 100 MET QG . . 4.180 4.049 3.904 4.147 . 0 0 "[ . 1 . 2]" 1 1704 1 100 MET H 1 100 MET HG3 . . 4.800 4.495 4.326 4.607 . 0 0 "[ . 1 . 2]" 1 1705 1 100 MET H 1 101 ALA H . . 4.770 4.358 4.209 4.492 . 0 0 "[ . 1 . 2]" 1 1706 1 100 MET HA 1 101 ALA H . . 2.940 2.146 2.140 2.170 . 0 0 "[ . 1 . 2]" 1 1707 1 100 MET HA 1 101 ALA MB . . 4.200 3.966 3.918 4.008 . 0 0 "[ . 1 . 2]" 1 1708 1 100 MET QB 1 101 ALA H . . 4.130 3.840 3.729 3.951 . 0 0 "[ . 1 . 2]" 1 1709 1 100 MET HB2 1 101 ALA H . . 4.710 4.385 4.210 4.479 . 0 0 "[ . 1 . 2]" 1 1710 1 100 MET HB3 1 101 ALA H . . 4.710 4.252 4.025 4.430 . 0 0 "[ . 1 . 2]" 1 1711 1 100 MET ME 1 101 ALA H . . 5.210 4.479 3.512 5.143 . 0 0 "[ . 1 . 2]" 1 1712 1 100 MET QG 1 101 ALA H . . 4.150 3.052 2.718 3.480 . 0 0 "[ . 1 . 2]" 1 1713 1 100 MET HG2 1 101 ALA H . . 4.940 4.317 2.939 4.918 . 0 0 "[ . 1 . 2]" 1 1714 1 100 MET HG2 1 102 THR MG . . 4.070 3.144 2.437 3.841 . 0 0 "[ . 1 . 2]" 1 1715 1 100 MET HG3 1 101 ALA H . . 4.940 3.177 2.901 3.559 . 0 0 "[ . 1 . 2]" 1 1716 1 100 MET HG3 1 102 THR MG . . 4.070 3.249 2.412 4.063 . 0 0 "[ . 1 . 2]" 1 1717 1 101 ALA H 1 101 ALA MB . . 3.320 2.221 2.118 2.333 . 0 0 "[ . 1 . 2]" 1 1718 1 101 ALA H 1 102 THR H . . 4.730 4.396 4.233 4.534 . 0 0 "[ . 1 . 2]" 1 1719 1 101 ALA HA 1 102 THR H . . 2.800 2.151 2.140 2.183 . 0 0 "[ . 1 . 2]" 1 1720 1 101 ALA HA 1 102 THR HA . . 4.910 4.402 4.386 4.441 . 0 0 "[ . 1 . 2]" 1 1721 1 101 ALA HA 1 102 THR MG . . 4.190 3.973 3.508 4.187 . 0 0 "[ . 1 . 2]" 1 1722 1 101 ALA MB 1 102 THR H . . 3.630 3.255 3.030 3.484 . 0 0 "[ . 1 . 2]" 1 1723 1 102 THR H 1 102 THR HB . . 4.080 3.678 3.400 3.809 . 0 0 "[ . 1 . 2]" 1 1724 1 102 THR H 1 102 THR MG . . 3.480 2.838 1.877 3.138 . 0 0 "[ . 1 . 2]" 1 1725 1 102 THR H 1 103 ASP H . . 4.660 4.515 4.422 4.595 . 0 0 "[ . 1 . 2]" 1 1726 1 102 THR HA 1 102 THR MG . . 3.660 2.317 2.189 3.165 . 0 0 "[ . 1 . 2]" 1 1727 1 102 THR HA 1 103 ASP H . . 3.160 2.247 2.194 2.339 . 0 0 "[ . 1 . 2]" 1 1728 1 102 THR HA 1 104 GLY H . . 4.040 3.948 3.692 4.040 . 0 0 "[ . 1 . 2]" 1 1729 1 102 THR HB 1 103 ASP H . . 3.710 2.883 2.618 3.645 . 0 0 "[ . 1 . 2]" 1 1730 1 102 THR HB 1 104 GLY H . . 4.540 2.608 2.387 4.301 . 0 0 "[ . 1 . 2]" 1 1731 1 102 THR MG 1 103 ASP H . . 4.320 3.734 3.579 3.930 . 0 0 "[ . 1 . 2]" 1 1732 1 102 THR MG 1 104 GLY H . . 4.180 4.119 3.873 4.177 . 0 0 "[ . 1 . 2]" 1 1733 1 103 ASP H 1 103 ASP HB2 . . 3.920 3.159 2.253 3.613 . 0 0 "[ . 1 . 2]" 1 1734 1 103 ASP H 1 103 ASP QB . . 3.360 2.446 2.174 2.719 . 0 0 "[ . 1 . 2]" 1 1735 1 103 ASP H 1 103 ASP HB3 . . 3.920 2.755 2.286 3.612 . 0 0 "[ . 1 . 2]" 1 1736 1 103 ASP H 1 104 GLY H . . 3.680 2.563 2.092 2.777 . 0 0 "[ . 1 . 2]" 1 1737 1 103 ASP HB2 1 104 GLY H . . 4.330 3.812 3.026 4.323 . 0 0 "[ . 1 . 2]" 1 1738 1 103 ASP HB3 1 104 GLY H . . 4.330 3.782 2.852 4.311 . 0 0 "[ . 1 . 2]" 1 1739 1 104 GLY HA2 1 105 GLU H . . 3.340 2.760 2.140 3.333 . 0 0 "[ . 1 . 2]" 1 1740 1 104 GLY HA3 1 105 GLU H . . 3.340 2.469 2.140 3.243 . 0 0 "[ . 1 . 2]" 1 1741 1 105 GLU H 1 105 GLU HB2 . . 3.700 3.258 2.296 3.703 0.003 10 0 "[ . 1 . 2]" 1 1742 1 105 GLU H 1 105 GLU QB . . 3.060 2.528 2.270 2.821 . 0 0 "[ . 1 . 2]" 1 1743 1 105 GLU H 1 105 GLU HB3 . . 3.700 2.934 2.366 3.689 . 0 0 "[ . 1 . 2]" 1 1744 1 105 GLU H 1 105 GLU HG2 . . 4.090 2.568 1.928 4.025 . 0 0 "[ . 1 . 2]" 1 1745 1 105 GLU H 1 105 GLU HG3 . . 4.090 3.076 2.047 3.766 . 0 0 "[ . 1 . 2]" 1 1746 1 105 GLU HA 1 105 GLU HG2 . . 3.960 3.444 2.233 3.942 . 0 0 "[ . 1 . 2]" 1 1747 1 105 GLU HA 1 105 GLU QG . . 3.460 3.058 2.190 3.340 . 0 0 "[ . 1 . 2]" 1 1748 1 105 GLU HA 1 105 GLU HG3 . . 3.960 3.525 2.462 3.870 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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