NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
446989 | 2ko7 | 16491 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ko7 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 1691 _Distance_constraint_stats_list.Viol_count 1154 _Distance_constraint_stats_list.Viol_total 799.366 _Distance_constraint_stats_list.Viol_max 0.316 _Distance_constraint_stats_list.Viol_rms 0.0103 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0012 _Distance_constraint_stats_list.Viol_average_violations_only 0.0346 _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 4 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 MET 0.000 0.000 4 0 "[ . 1 . 2]" 1 6 THR 0.039 0.039 10 0 "[ . 1 . 2]" 1 7 VAL 0.088 0.039 10 0 "[ . 1 . 2]" 1 8 VAL 0.033 0.029 9 0 "[ . 1 . 2]" 1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 THR 0.018 0.013 9 0 "[ . 1 . 2]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 SER 0.021 0.006 5 0 "[ . 1 . 2]" 1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.055 0.020 14 0 "[ . 1 . 2]" 1 15 LYS 0.182 0.080 15 0 "[ . 1 . 2]" 1 16 TYR 0.377 0.057 3 0 "[ . 1 . 2]" 1 17 GLU 0.001 0.001 1 0 "[ . 1 . 2]" 1 18 ASP 0.242 0.152 9 0 "[ . 1 . 2]" 1 19 LEU 0.655 0.152 9 0 "[ . 1 . 2]" 1 20 THR 0.158 0.029 16 0 "[ . 1 . 2]" 1 21 GLU 0.000 0.000 2 0 "[ . 1 . 2]" 1 22 GLY 0.048 0.017 9 0 "[ . 1 . 2]" 1 23 SER 0.063 0.014 10 0 "[ . 1 . 2]" 1 24 GLY 0.107 0.017 9 0 "[ . 1 . 2]" 1 25 ALA 0.016 0.007 11 0 "[ . 1 . 2]" 1 26 GLU 0.160 0.028 8 0 "[ . 1 . 2]" 1 27 ALA 0.080 0.021 7 0 "[ . 1 . 2]" 1 28 ARG 1.210 0.061 13 0 "[ . 1 . 2]" 1 29 ALA 0.700 0.061 13 0 "[ . 1 . 2]" 1 30 GLY 0.025 0.025 11 0 "[ . 1 . 2]" 1 31 GLN 0.579 0.060 11 0 "[ . 1 . 2]" 1 32 THR 0.008 0.008 5 0 "[ . 1 . 2]" 1 33 VAL 0.982 0.058 13 0 "[ . 1 . 2]" 1 34 SER 0.238 0.045 4 0 "[ . 1 . 2]" 1 35 VAL 0.497 0.049 14 0 "[ . 1 . 2]" 1 36 HIS 2.292 0.139 6 0 "[ . 1 . 2]" 1 37 TYR 0.007 0.004 20 0 "[ . 1 . 2]" 1 38 THR 0.597 0.059 2 0 "[ . 1 . 2]" 1 39 GLY 0.139 0.031 19 0 "[ . 1 . 2]" 1 40 TRP 4.334 0.316 19 0 "[ . 1 . 2]" 1 41 LEU 0.584 0.085 14 0 "[ . 1 . 2]" 1 42 THR 1.158 0.080 8 0 "[ . 1 . 2]" 1 43 ASP 0.030 0.030 10 0 "[ . 1 . 2]" 1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 GLN 1.842 0.204 13 0 "[ . 1 . 2]" 1 46 LYS 1.866 0.316 19 0 "[ . 1 . 2]" 1 47 PHE 0.338 0.047 15 0 "[ . 1 . 2]" 1 48 ASP 0.116 0.027 11 0 "[ . 1 . 2]" 1 49 SER 0.066 0.039 3 0 "[ . 1 . 2]" 1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 LYS 0.041 0.014 19 0 "[ . 1 . 2]" 1 52 ASP 0.043 0.039 3 0 "[ . 1 . 2]" 1 53 ARG 0.139 0.088 18 0 "[ . 1 . 2]" 1 54 ASN 0.115 0.035 3 0 "[ . 1 . 2]" 1 55 ASP 0.323 0.114 12 0 "[ . 1 . 2]" 1 56 PRO 0.902 0.102 12 0 "[ . 1 . 2]" 1 57 PHE 0.269 0.027 10 0 "[ . 1 . 2]" 1 58 ALA 0.103 0.033 15 0 "[ . 1 . 2]" 1 59 PHE 1.125 0.072 11 0 "[ . 1 . 2]" 1 60 VAL 0.177 0.053 13 0 "[ . 1 . 2]" 1 61 LEU 0.419 0.055 20 0 "[ . 1 . 2]" 1 62 GLY 0.133 0.025 16 0 "[ . 1 . 2]" 1 63 GLY 0.272 0.053 13 0 "[ . 1 . 2]" 1 64 GLY 0.332 0.048 13 0 "[ . 1 . 2]" 1 65 MET 0.755 0.121 17 0 "[ . 1 . 2]" 1 66 VAL 1.161 0.094 17 0 "[ . 1 . 2]" 1 67 ILE 0.351 0.051 3 0 "[ . 1 . 2]" 1 68 LYS 0.041 0.016 12 0 "[ . 1 . 2]" 1 69 GLY 0.088 0.038 3 0 "[ . 1 . 2]" 1 70 TRP 1.269 0.109 17 0 "[ . 1 . 2]" 1 71 ASP 0.128 0.023 11 0 "[ . 1 . 2]" 1 72 GLU 0.090 0.040 6 0 "[ . 1 . 2]" 1 73 GLY 1.795 0.109 17 0 "[ . 1 . 2]" 1 74 VAL 0.512 0.077 17 0 "[ . 1 . 2]" 1 75 GLN 2.074 0.258 17 0 "[ . 1 . 2]" 1 76 GLY 1.679 0.258 17 0 "[ . 1 . 2]" 1 77 MET 0.126 0.057 17 0 "[ . 1 . 2]" 1 78 LYS 0.137 0.049 18 0 "[ . 1 . 2]" 1 79 VAL 0.604 0.137 14 0 "[ . 1 . 2]" 1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 GLY 0.031 0.013 3 0 "[ . 1 . 2]" 1 82 VAL 0.158 0.029 16 0 "[ . 1 . 2]" 1 83 ARG 0.280 0.044 13 0 "[ . 1 . 2]" 1 84 ARG 0.102 0.026 15 0 "[ . 1 . 2]" 1 85 LEU 0.709 0.077 17 0 "[ . 1 . 2]" 1 86 THR 0.562 0.244 1 0 "[ . 1 . 2]" 1 87 ILE 0.659 0.051 3 0 "[ . 1 . 2]" 1 88 PRO 2.067 0.104 17 0 "[ . 1 . 2]" 1 89 PRO 0.071 0.024 16 0 "[ . 1 . 2]" 1 90 GLN 0.215 0.064 14 0 "[ . 1 . 2]" 1 91 LEU 0.692 0.064 14 0 "[ . 1 . 2]" 1 92 GLY 1.833 0.104 17 0 "[ . 1 . 2]" 1 93 TYR 1.044 0.066 17 0 "[ . 1 . 2]" 1 94 GLY 0.029 0.019 13 0 "[ . 1 . 2]" 1 95 ALA 2.758 0.140 17 0 "[ . 1 . 2]" 1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 GLY 0.256 0.048 20 0 "[ . 1 . 2]" 1 98 ALA 0.162 0.075 20 0 "[ . 1 . 2]" 1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 VAL 0.294 0.144 20 0 "[ . 1 . 2]" 1 102 ILE 3.041 0.221 20 0 "[ . 1 . 2]" 1 103 PRO 1.018 0.182 20 0 "[ . 1 . 2]" 1 104 PRO 4.234 0.225 17 0 "[ . 1 . 2]" 1 105 ASN 3.003 0.177 20 0 "[ . 1 . 2]" 1 106 ALA 4.229 0.225 17 0 "[ . 1 . 2]" 1 107 THR 0.148 0.040 3 0 "[ . 1 . 2]" 1 108 LEU 0.469 0.040 3 0 "[ . 1 . 2]" 1 109 VAL 3.183 0.244 1 0 "[ . 1 . 2]" 1 110 PHE 1.308 0.068 3 0 "[ . 1 . 2]" 1 111 GLU 2.593 0.186 8 0 "[ . 1 . 2]" 1 112 VAL 0.660 0.068 3 0 "[ . 1 . 2]" 1 113 GLU 1.157 0.139 6 0 "[ . 1 . 2]" 1 114 LEU 1.422 0.149 11 0 "[ . 1 . 2]" 1 115 LEU 1.943 0.149 11 0 "[ . 1 . 2]" 1 116 ASP 0.411 0.045 4 0 "[ . 1 . 2]" 1 117 VAL 0.462 0.137 14 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 4 SER QB 1 5 MET H . . 4.950 3.283 2.099 4.025 . 0 0 "[ . 1 . 2]" 1 2 1 5 MET HA 1 6 THR H . . 3.480 2.419 2.156 2.961 . 0 0 "[ . 1 . 2]" 1 3 1 5 MET QB 1 6 THR H . . 4.010 3.524 2.467 4.010 0.000 4 0 "[ . 1 . 2]" 1 4 1 5 MET HB2 1 6 THR H . . 4.680 4.146 2.630 4.661 . 0 0 "[ . 1 . 2]" 1 5 1 5 MET HB3 1 6 THR H . . 4.680 3.970 2.510 4.491 . 0 0 "[ . 1 . 2]" 1 6 1 6 THR H 1 6 THR HB . . 3.940 3.356 2.586 3.910 . 0 0 "[ . 1 . 2]" 1 7 1 6 THR H 1 6 THR MG . . 4.270 2.810 1.916 3.893 . 0 0 "[ . 1 . 2]" 1 8 1 6 THR H 1 7 VAL H . . 4.510 4.202 3.715 4.498 . 0 0 "[ . 1 . 2]" 1 9 1 6 THR HA 1 6 THR MG . . 3.340 2.526 2.043 3.207 . 0 0 "[ . 1 . 2]" 1 10 1 6 THR HA 1 7 VAL H . . 2.940 2.303 2.142 2.616 . 0 0 "[ . 1 . 2]" 1 11 1 6 THR HB 1 7 VAL H . . 4.320 3.845 1.949 4.359 0.039 10 0 "[ . 1 . 2]" 1 12 1 6 THR MG 1 7 VAL H . . 4.210 3.742 2.465 4.210 0.000 3 0 "[ . 1 . 2]" 1 13 1 7 VAL H 1 7 VAL HB . . 3.160 2.708 2.507 3.142 . 0 0 "[ . 1 . 2]" 1 14 1 7 VAL H 1 7 VAL MG1 . . 4.050 3.292 1.937 3.939 . 0 0 "[ . 1 . 2]" 1 15 1 7 VAL H 1 7 VAL QG . . 3.120 2.297 1.931 2.730 . 0 0 "[ . 1 . 2]" 1 16 1 7 VAL H 1 7 VAL MG2 . . 4.050 2.862 2.120 3.920 . 0 0 "[ . 1 . 2]" 1 17 1 7 VAL H 1 8 VAL H . . 4.850 4.417 4.083 4.592 . 0 0 "[ . 1 . 2]" 1 18 1 7 VAL HA 1 7 VAL MG1 . . 3.250 2.580 2.214 3.204 . 0 0 "[ . 1 . 2]" 1 19 1 7 VAL HA 1 7 VAL QG . . 2.830 2.153 2.042 2.321 . 0 0 "[ . 1 . 2]" 1 20 1 7 VAL HA 1 7 VAL MG2 . . 3.250 2.385 2.209 2.472 . 0 0 "[ . 1 . 2]" 1 21 1 7 VAL HA 1 8 VAL H . . 3.090 2.174 2.141 2.268 . 0 0 "[ . 1 . 2]" 1 22 1 7 VAL HA 1 16 TYR H . . 5.000 4.786 4.388 5.011 0.011 12 0 "[ . 1 . 2]" 1 23 1 7 VAL HA 1 17 GLU HA . . 4.340 4.005 3.157 4.341 0.001 1 0 "[ . 1 . 2]" 1 24 1 7 VAL HB 1 8 VAL H . . 4.590 4.134 3.755 4.426 . 0 0 "[ . 1 . 2]" 1 25 1 7 VAL QG 1 8 VAL H . . 3.420 2.517 2.121 3.131 . 0 0 "[ . 1 . 2]" 1 26 1 7 VAL QG 1 15 LYS QB . . 3.820 1.992 1.773 3.053 . 0 0 "[ . 1 . 2]" 1 27 1 7 VAL QG 1 15 LYS QD . . 3.680 2.469 1.725 3.547 . 0 0 "[ . 1 . 2]" 1 28 1 7 VAL QG 1 16 TYR H . . 4.020 3.060 2.323 3.559 . 0 0 "[ . 1 . 2]" 1 29 1 7 VAL QG 1 17 GLU H . . 4.920 4.270 3.450 4.909 . 0 0 "[ . 1 . 2]" 1 30 1 7 VAL QG 1 86 THR H . . 5.440 4.132 3.507 5.157 . 0 0 "[ . 1 . 2]" 1 31 1 7 VAL MG1 1 8 VAL H . . 4.190 2.973 2.129 4.062 . 0 0 "[ . 1 . 2]" 1 32 1 7 VAL MG2 1 8 VAL H . . 4.190 3.626 2.321 4.219 0.029 9 0 "[ . 1 . 2]" 1 33 1 8 VAL H 1 8 VAL HB . . 3.340 2.599 2.510 2.735 . 0 0 "[ . 1 . 2]" 1 34 1 8 VAL H 1 8 VAL MG1 . . 3.880 3.812 3.769 3.881 0.001 15 0 "[ . 1 . 2]" 1 35 1 8 VAL H 1 8 VAL QG . . 3.110 2.418 2.037 2.896 . 0 0 "[ . 1 . 2]" 1 36 1 8 VAL H 1 8 VAL MG2 . . 3.880 2.452 2.045 2.988 . 0 0 "[ . 1 . 2]" 1 37 1 8 VAL H 1 16 TYR H . . 3.800 3.366 2.937 3.752 . 0 0 "[ . 1 . 2]" 1 38 1 8 VAL HA 1 8 VAL MG1 . . 3.370 2.327 2.224 2.400 . 0 0 "[ . 1 . 2]" 1 39 1 8 VAL HA 1 8 VAL QG . . 2.860 2.084 2.058 2.119 . 0 0 "[ . 1 . 2]" 1 40 1 8 VAL HA 1 8 VAL MG2 . . 3.370 2.360 2.280 2.450 . 0 0 "[ . 1 . 2]" 1 41 1 8 VAL HA 1 9 THR H . . 2.680 2.176 2.141 2.248 . 0 0 "[ . 1 . 2]" 1 42 1 8 VAL HB 1 16 TYR H . . 5.010 3.468 3.199 4.087 . 0 0 "[ . 1 . 2]" 1 43 1 8 VAL HB 1 16 TYR QD . . 4.760 3.207 2.906 3.521 . 0 0 "[ . 1 . 2]" 1 44 1 8 VAL QG 1 9 THR H . . 3.200 2.460 2.147 2.720 . 0 0 "[ . 1 . 2]" 1 45 1 8 VAL QG 1 10 THR H . . 4.810 4.654 4.313 4.809 . 0 0 "[ . 1 . 2]" 1 46 1 8 VAL QG 1 10 THR MG . . 3.770 3.570 3.259 3.761 . 0 0 "[ . 1 . 2]" 1 47 1 8 VAL QG 1 16 TYR H . . 5.260 3.943 3.813 4.251 . 0 0 "[ . 1 . 2]" 1 48 1 8 VAL QG 1 16 TYR QD . . 4.010 3.303 3.155 3.649 . 0 0 "[ . 1 . 2]" 1 49 1 8 VAL QG 1 16 TYR QE . . 3.240 2.060 1.938 2.522 . 0 0 "[ . 1 . 2]" 1 50 1 8 VAL MG1 1 16 TYR QD . . 4.850 3.415 3.240 3.797 . 0 0 "[ . 1 . 2]" 1 51 1 8 VAL MG1 1 16 TYR QE . . 3.790 2.075 1.945 2.576 . 0 0 "[ . 1 . 2]" 1 52 1 8 VAL MG2 1 16 TYR QD . . 4.850 4.409 4.072 4.728 . 0 0 "[ . 1 . 2]" 1 53 1 8 VAL MG2 1 16 TYR QE . . 3.790 3.551 3.238 3.791 0.001 16 0 "[ . 1 . 2]" 1 54 1 9 THR H 1 9 THR MG . . 4.040 3.852 3.825 3.900 . 0 0 "[ . 1 . 2]" 1 55 1 9 THR H 1 16 TYR H . . 5.370 5.069 4.920 5.108 . 0 0 "[ . 1 . 2]" 1 56 1 9 THR HA 1 9 THR MG . . 3.290 2.166 2.056 2.325 . 0 0 "[ . 1 . 2]" 1 57 1 9 THR HA 1 10 THR H . . 3.010 2.306 2.218 2.390 . 0 0 "[ . 1 . 2]" 1 58 1 9 THR HA 1 10 THR MG . . 4.430 3.551 3.362 3.761 . 0 0 "[ . 1 . 2]" 1 59 1 9 THR HA 1 15 LYS HA . . 3.330 2.163 2.000 2.394 . 0 0 "[ . 1 . 2]" 1 60 1 9 THR HA 1 16 TYR H . . 4.200 3.727 3.402 3.864 . 0 0 "[ . 1 . 2]" 1 61 1 9 THR MG 1 10 THR H . . 3.520 2.009 1.893 2.449 . 0 0 "[ . 1 . 2]" 1 62 1 9 THR MG 1 13 GLY H . . 4.200 3.513 3.294 3.791 . 0 0 "[ . 1 . 2]" 1 63 1 9 THR MG 1 13 GLY HA2 . . 4.440 2.769 2.476 3.258 . 0 0 "[ . 1 . 2]" 1 64 1 9 THR MG 1 13 GLY QA . . 3.570 2.722 2.444 3.180 . 0 0 "[ . 1 . 2]" 1 65 1 9 THR MG 1 13 GLY HA3 . . 4.440 4.022 3.752 4.437 . 0 0 "[ . 1 . 2]" 1 66 1 9 THR MG 1 15 LYS HA . . 4.010 3.301 2.567 3.763 . 0 0 "[ . 1 . 2]" 1 67 1 9 THR MG 1 15 LYS QD . . 4.670 3.319 1.919 3.631 . 0 0 "[ . 1 . 2]" 1 68 1 9 THR MG 1 15 LYS QE . . 3.590 2.778 1.921 3.568 . 0 0 "[ . 1 . 2]" 1 69 1 9 THR MG 1 15 LYS QG . . 3.990 2.234 1.873 3.790 . 0 0 "[ . 1 . 2]" 1 70 1 10 THR H 1 10 THR MG . . 3.140 2.654 2.394 2.880 . 0 0 "[ . 1 . 2]" 1 71 1 10 THR H 1 15 LYS HA . . 4.160 3.205 2.776 3.539 . 0 0 "[ . 1 . 2]" 1 72 1 10 THR HA 1 10 THR MG . . 3.400 2.334 2.196 2.441 . 0 0 "[ . 1 . 2]" 1 73 1 10 THR HA 1 11 GLU H . . 2.890 2.593 2.331 2.662 . 0 0 "[ . 1 . 2]" 1 74 1 10 THR HA 1 11 GLU QB . . 4.850 4.520 4.194 4.830 . 0 0 "[ . 1 . 2]" 1 75 1 10 THR HB 1 11 GLU QB . . 5.060 3.995 3.719 4.425 . 0 0 "[ . 1 . 2]" 1 76 1 10 THR HB 1 12 SER H . . 3.700 2.839 2.576 2.966 . 0 0 "[ . 1 . 2]" 1 77 1 10 THR MG 1 11 GLU H . . 3.950 3.608 3.429 3.787 . 0 0 "[ . 1 . 2]" 1 78 1 10 THR MG 1 12 SER H . . 4.270 4.199 4.142 4.260 . 0 0 "[ . 1 . 2]" 1 79 1 10 THR MG 1 14 LEU QB . . 4.360 3.573 2.790 4.336 . 0 0 "[ . 1 . 2]" 1 80 1 10 THR MG 1 14 LEU MD2 . . 3.290 2.563 2.150 3.105 . 0 0 "[ . 1 . 2]" 1 81 1 10 THR MG 1 16 TYR QD . . 3.740 2.903 2.621 3.206 . 0 0 "[ . 1 . 2]" 1 82 1 10 THR MG 1 16 TYR QE . . 3.450 3.317 3.013 3.463 0.013 9 0 "[ . 1 . 2]" 1 83 1 11 GLU H 1 11 GLU QB . . 3.130 2.359 2.186 2.666 . 0 0 "[ . 1 . 2]" 1 84 1 11 GLU H 1 11 GLU QG . . 4.050 3.036 1.961 4.009 . 0 0 "[ . 1 . 2]" 1 85 1 11 GLU H 1 12 SER H . . 3.990 2.503 2.389 2.721 . 0 0 "[ . 1 . 2]" 1 86 1 11 GLU HA 1 11 GLU QG . . 3.460 2.699 2.295 3.459 . 0 0 "[ . 1 . 2]" 1 87 1 11 GLU QB 1 12 SER H . . 3.760 3.039 2.764 3.622 . 0 0 "[ . 1 . 2]" 1 88 1 11 GLU QG 1 12 SER H . . 4.630 3.702 2.228 4.561 . 0 0 "[ . 1 . 2]" 1 89 1 12 SER H 1 12 SER QB . . 3.490 2.491 2.212 2.923 . 0 0 "[ . 1 . 2]" 1 90 1 12 SER H 1 13 GLY H . . 3.450 2.457 2.291 2.624 . 0 0 "[ . 1 . 2]" 1 91 1 12 SER H 1 14 LEU H . . 4.420 4.300 4.065 4.426 0.006 5 0 "[ . 1 . 2]" 1 92 1 12 SER QB 1 13 GLY H . . 4.080 3.072 2.566 3.713 . 0 0 "[ . 1 . 2]" 1 93 1 12 SER QB 1 91 LEU QD . . 3.510 2.993 1.937 3.513 0.003 9 0 "[ . 1 . 2]" 1 94 1 12 SER HB2 1 91 LEU MD1 . . 5.500 4.342 2.761 5.461 . 0 0 "[ . 1 . 2]" 1 95 1 12 SER HB2 1 91 LEU MD2 . . 5.500 3.905 2.264 4.932 . 0 0 "[ . 1 . 2]" 1 96 1 12 SER HB3 1 91 LEU MD1 . . 5.500 4.221 3.088 5.455 . 0 0 "[ . 1 . 2]" 1 97 1 12 SER HB3 1 91 LEU MD2 . . 5.500 3.820 1.975 4.994 . 0 0 "[ . 1 . 2]" 1 98 1 13 GLY H 1 14 LEU H . . 3.360 2.620 2.381 3.230 . 0 0 "[ . 1 . 2]" 1 99 1 14 LEU H 1 14 LEU HB2 . . 3.310 2.679 2.376 2.867 . 0 0 "[ . 1 . 2]" 1 100 1 14 LEU H 1 14 LEU HB3 . . 3.310 2.354 2.242 2.643 . 0 0 "[ . 1 . 2]" 1 101 1 14 LEU H 1 14 LEU MD1 . . 4.350 4.245 3.918 4.334 . 0 0 "[ . 1 . 2]" 1 102 1 14 LEU H 1 14 LEU MD2 . . 4.260 3.891 3.695 4.250 . 0 0 "[ . 1 . 2]" 1 103 1 14 LEU H 1 14 LEU HG . . 4.480 4.474 4.449 4.485 0.005 16 0 "[ . 1 . 2]" 1 104 1 14 LEU HA 1 14 LEU MD1 . . 3.660 3.420 2.733 3.587 . 0 0 "[ . 1 . 2]" 1 105 1 14 LEU HA 1 14 LEU MD2 . . 3.860 3.650 3.530 3.880 0.020 14 0 "[ . 1 . 2]" 1 106 1 14 LEU HA 1 14 LEU HG . . 4.100 2.690 2.605 2.742 . 0 0 "[ . 1 . 2]" 1 107 1 14 LEU HA 1 15 LYS H . . 3.200 2.233 2.160 2.274 . 0 0 "[ . 1 . 2]" 1 108 1 14 LEU HA 1 88 PRO HD2 . . 4.390 3.202 2.731 3.862 . 0 0 "[ . 1 . 2]" 1 109 1 14 LEU QB 1 15 LYS H . . 4.370 3.540 3.481 3.703 . 0 0 "[ . 1 . 2]" 1 110 1 14 LEU HB2 1 14 LEU MD2 . . 3.450 3.057 2.758 3.120 . 0 0 "[ . 1 . 2]" 1 111 1 14 LEU HB3 1 14 LEU MD2 . . 3.450 2.042 1.955 2.187 . 0 0 "[ . 1 . 2]" 1 112 1 14 LEU MD1 1 15 LYS H . . 3.950 3.756 3.410 3.953 0.003 16 0 "[ . 1 . 2]" 1 113 1 14 LEU MD1 1 69 GLY H . . 5.370 4.687 4.164 5.195 . 0 0 "[ . 1 . 2]" 1 114 1 14 LEU MD1 1 69 GLY HA2 . . 4.180 2.686 2.111 3.421 . 0 0 "[ . 1 . 2]" 1 115 1 14 LEU MD1 1 69 GLY HA3 . . 4.180 3.087 2.537 3.700 . 0 0 "[ . 1 . 2]" 1 116 1 14 LEU MD1 1 85 LEU HA . . 5.020 4.595 4.232 4.985 . 0 0 "[ . 1 . 2]" 1 117 1 14 LEU MD1 1 85 LEU HB2 . . 4.280 3.413 2.526 4.064 . 0 0 "[ . 1 . 2]" 1 118 1 14 LEU MD1 1 85 LEU QB . . 3.630 2.645 2.325 3.237 . 0 0 "[ . 1 . 2]" 1 119 1 14 LEU MD1 1 85 LEU HB3 . . 4.280 2.835 2.348 3.817 . 0 0 "[ . 1 . 2]" 1 120 1 14 LEU MD1 1 86 THR H . . 4.530 4.200 3.894 4.514 . 0 0 "[ . 1 . 2]" 1 121 1 14 LEU MD1 1 87 ILE HA . . 4.070 2.500 1.895 2.990 . 0 0 "[ . 1 . 2]" 1 122 1 14 LEU MD1 1 87 ILE QG . . 3.450 2.038 1.782 2.331 . 0 0 "[ . 1 . 2]" 1 123 1 14 LEU MD1 1 88 PRO HD2 . . 4.350 2.992 2.206 3.515 . 0 0 "[ . 1 . 2]" 1 124 1 14 LEU MD1 1 88 PRO HD3 . . 4.370 3.627 2.582 4.123 . 0 0 "[ . 1 . 2]" 1 125 1 14 LEU MD2 1 15 LYS H . . 4.360 3.246 2.908 4.146 . 0 0 "[ . 1 . 2]" 1 126 1 14 LEU MD2 1 85 LEU QB . . 3.920 2.773 1.969 3.403 . 0 0 "[ . 1 . 2]" 1 127 1 14 LEU MD2 1 86 THR H . . 5.170 4.005 3.664 4.871 . 0 0 "[ . 1 . 2]" 1 128 1 14 LEU HG 1 15 LYS H . . 3.410 2.194 2.008 2.595 . 0 0 "[ . 1 . 2]" 1 129 1 14 LEU HG 1 86 THR H . . 4.580 3.406 3.062 3.825 . 0 0 "[ . 1 . 2]" 1 130 1 15 LYS H 1 15 LYS QD . . 4.200 3.692 2.306 4.198 . 0 0 "[ . 1 . 2]" 1 131 1 15 LYS H 1 15 LYS HG2 . . 4.390 3.757 2.238 4.378 . 0 0 "[ . 1 . 2]" 1 132 1 15 LYS H 1 15 LYS HG3 . . 4.390 2.871 2.394 4.078 . 0 0 "[ . 1 . 2]" 1 133 1 15 LYS H 1 86 THR H . . 4.480 2.819 2.676 3.055 . 0 0 "[ . 1 . 2]" 1 134 1 15 LYS H 1 86 THR HB . . 4.040 2.372 2.074 2.637 . 0 0 "[ . 1 . 2]" 1 135 1 15 LYS HA 1 15 LYS QD . . 4.360 3.935 2.336 4.440 0.080 15 0 "[ . 1 . 2]" 1 136 1 15 LYS HA 1 15 LYS HG2 . . 3.850 2.943 2.689 3.611 . 0 0 "[ . 1 . 2]" 1 137 1 15 LYS HA 1 15 LYS QG . . 3.360 2.593 2.355 3.271 . 0 0 "[ . 1 . 2]" 1 138 1 15 LYS HA 1 15 LYS HG3 . . 3.850 3.056 2.393 3.861 0.011 4 0 "[ . 1 . 2]" 1 139 1 15 LYS HA 1 16 TYR H . . 3.120 2.414 2.367 2.484 . 0 0 "[ . 1 . 2]" 1 140 1 15 LYS HA 1 16 TYR QD . . 4.390 3.244 2.942 3.576 . 0 0 "[ . 1 . 2]" 1 141 1 15 LYS QB 1 16 TYR H . . 3.840 2.421 2.297 2.593 . 0 0 "[ . 1 . 2]" 1 142 1 15 LYS QB 1 16 TYR QD . . 4.620 4.335 4.067 4.625 0.005 14 0 "[ . 1 . 2]" 1 143 1 15 LYS QB 1 86 THR H . . 4.790 2.721 2.328 3.918 . 0 0 "[ . 1 . 2]" 1 144 1 15 LYS QB 1 86 THR HB . . 3.330 2.157 1.996 3.082 . 0 0 "[ . 1 . 2]" 1 145 1 15 LYS QB 1 86 THR MG . . 3.940 3.482 3.330 3.996 0.056 15 0 "[ . 1 . 2]" 1 146 1 15 LYS QE 1 15 LYS QG . . 3.060 2.175 2.005 2.362 . 0 0 "[ . 1 . 2]" 1 147 1 15 LYS QE 1 86 THR MG . . 4.510 3.242 1.950 4.535 0.025 15 0 "[ . 1 . 2]" 1 148 1 15 LYS QG 1 16 TYR H . . 4.490 3.948 2.858 4.451 . 0 0 "[ . 1 . 2]" 1 149 1 15 LYS QG 1 86 THR H . . 5.340 4.225 1.917 4.833 . 0 0 "[ . 1 . 2]" 1 150 1 15 LYS QG 1 86 THR MG . . 4.550 3.605 2.742 4.551 0.001 14 0 "[ . 1 . 2]" 1 151 1 16 TYR H 1 16 TYR QD . . 4.330 2.450 2.030 2.989 . 0 0 "[ . 1 . 2]" 1 152 1 16 TYR HA 1 16 TYR QD . . 4.240 3.716 3.685 3.733 . 0 0 "[ . 1 . 2]" 1 153 1 16 TYR HA 1 17 GLU H . . 3.220 2.205 2.167 2.285 . 0 0 "[ . 1 . 2]" 1 154 1 16 TYR HA 1 85 LEU HA . . 3.800 2.024 1.959 2.183 . 0 0 "[ . 1 . 2]" 1 155 1 16 TYR HA 1 85 LEU QD . . 3.970 2.817 1.985 3.462 . 0 0 "[ . 1 . 2]" 1 156 1 16 TYR HA 1 86 THR H . . 4.200 3.337 3.191 3.476 . 0 0 "[ . 1 . 2]" 1 157 1 16 TYR QB 1 17 GLU H . . 3.650 2.991 2.739 3.114 . 0 0 "[ . 1 . 2]" 1 158 1 16 TYR QB 1 85 LEU HA . . 3.920 3.466 3.347 3.611 . 0 0 "[ . 1 . 2]" 1 159 1 16 TYR QB 1 85 LEU QB . . 4.460 3.504 2.497 4.015 . 0 0 "[ . 1 . 2]" 1 160 1 16 TYR QB 1 85 LEU QD . . 3.230 2.032 1.747 2.782 . 0 0 "[ . 1 . 2]" 1 161 1 16 TYR HB2 1 85 LEU HA . . 4.570 3.889 3.790 4.058 . 0 0 "[ . 1 . 2]" 1 162 1 16 TYR HB3 1 85 LEU HA . . 4.570 3.896 3.713 4.129 . 0 0 "[ . 1 . 2]" 1 163 1 16 TYR QD 1 17 GLU H . . 4.330 3.870 3.271 4.298 . 0 0 "[ . 1 . 2]" 1 164 1 16 TYR QD 1 83 ARG QD . . 4.370 2.753 1.979 3.402 . 0 0 "[ . 1 . 2]" 1 165 1 16 TYR QD 1 83 ARG QG . . 4.850 4.605 3.783 4.894 0.044 13 0 "[ . 1 . 2]" 1 166 1 16 TYR QD 1 85 LEU QD . . 4.080 3.619 3.388 4.137 0.057 3 0 "[ . 1 . 2]" 1 167 1 16 TYR QE 1 83 ARG HD2 . . 5.380 5.029 4.076 5.417 0.037 9 0 "[ . 1 . 2]" 1 168 1 16 TYR QE 1 83 ARG HD3 . . 5.380 4.812 4.152 5.363 . 0 0 "[ . 1 . 2]" 1 169 1 17 GLU H 1 17 GLU HB2 . . 4.010 3.167 2.660 3.871 . 0 0 "[ . 1 . 2]" 1 170 1 17 GLU H 1 17 GLU QB . . 3.450 2.696 2.552 3.257 . 0 0 "[ . 1 . 2]" 1 171 1 17 GLU H 1 17 GLU HB3 . . 4.010 3.007 2.668 3.504 . 0 0 "[ . 1 . 2]" 1 172 1 17 GLU H 1 83 ARG QG . . 5.340 4.379 1.973 5.276 . 0 0 "[ . 1 . 2]" 1 173 1 17 GLU H 1 84 ARG H . . 3.860 3.255 2.909 3.628 . 0 0 "[ . 1 . 2]" 1 174 1 17 GLU H 1 85 LEU QD . . 5.090 3.671 2.751 4.059 . 0 0 "[ . 1 . 2]" 1 175 1 17 GLU HA 1 18 ASP H . . 3.070 2.138 2.137 2.144 . 0 0 "[ . 1 . 2]" 1 176 1 17 GLU HA 1 18 ASP QB . . 4.500 4.222 4.047 4.404 . 0 0 "[ . 1 . 2]" 1 177 1 18 ASP H 1 18 ASP HB2 . . 3.860 2.871 2.216 3.600 . 0 0 "[ . 1 . 2]" 1 178 1 18 ASP H 1 18 ASP QB . . 3.250 2.310 2.150 2.504 . 0 0 "[ . 1 . 2]" 1 179 1 18 ASP H 1 18 ASP HB3 . . 3.860 2.791 2.285 3.592 . 0 0 "[ . 1 . 2]" 1 180 1 18 ASP H 1 19 LEU H . . 4.940 4.592 4.526 4.635 . 0 0 "[ . 1 . 2]" 1 181 1 18 ASP HA 1 19 LEU H . . 3.400 2.191 2.150 2.269 . 0 0 "[ . 1 . 2]" 1 182 1 18 ASP HA 1 19 LEU QB . . 4.640 4.140 4.051 4.360 . 0 0 "[ . 1 . 2]" 1 183 1 18 ASP HA 1 19 LEU HG . . 5.180 4.518 3.914 5.332 0.152 9 0 "[ . 1 . 2]" 1 184 1 18 ASP HA 1 20 THR H . . 4.370 3.907 3.744 4.369 . 0 0 "[ . 1 . 2]" 1 185 1 18 ASP HA 1 83 ARG HG2 . . 5.190 3.476 1.976 4.634 . 0 0 "[ . 1 . 2]" 1 186 1 18 ASP HA 1 83 ARG QG . . 4.510 3.082 1.967 4.078 . 0 0 "[ . 1 . 2]" 1 187 1 18 ASP HA 1 83 ARG HG3 . . 5.190 4.003 1.983 4.883 . 0 0 "[ . 1 . 2]" 1 188 1 19 LEU H 1 19 LEU QB . . 3.270 2.419 2.332 2.542 . 0 0 "[ . 1 . 2]" 1 189 1 19 LEU H 1 19 LEU MD1 . . 4.490 4.018 2.580 4.470 . 0 0 "[ . 1 . 2]" 1 190 1 19 LEU H 1 19 LEU QD . . 3.920 3.517 2.565 3.776 . 0 0 "[ . 1 . 2]" 1 191 1 19 LEU H 1 19 LEU MD2 . . 4.490 4.103 2.771 4.552 0.062 4 0 "[ . 1 . 2]" 1 192 1 19 LEU H 1 19 LEU HG . . 4.580 3.591 2.991 4.148 . 0 0 "[ . 1 . 2]" 1 193 1 19 LEU H 1 20 THR H . . 3.360 1.937 1.882 2.202 . 0 0 "[ . 1 . 2]" 1 194 1 19 LEU H 1 82 VAL QG . . 4.940 4.124 3.861 4.276 . 0 0 "[ . 1 . 2]" 1 195 1 19 LEU H 1 83 ARG HA . . 3.750 2.457 2.105 2.707 . 0 0 "[ . 1 . 2]" 1 196 1 19 LEU H 1 83 ARG HB2 . . 4.840 3.899 2.734 4.816 . 0 0 "[ . 1 . 2]" 1 197 1 19 LEU H 1 83 ARG QB . . 4.230 2.944 2.498 3.687 . 0 0 "[ . 1 . 2]" 1 198 1 19 LEU H 1 83 ARG HB3 . . 4.840 3.233 2.540 4.695 . 0 0 "[ . 1 . 2]" 1 199 1 19 LEU H 1 83 ARG HG2 . . 5.500 3.969 2.111 5.467 . 0 0 "[ . 1 . 2]" 1 200 1 19 LEU H 1 83 ARG QG . . 4.630 3.621 2.099 4.633 0.003 4 0 "[ . 1 . 2]" 1 201 1 19 LEU H 1 83 ARG HG3 . . 5.500 4.657 3.671 5.477 . 0 0 "[ . 1 . 2]" 1 202 1 19 LEU H 1 84 ARG H . . 5.170 4.243 3.803 4.549 . 0 0 "[ . 1 . 2]" 1 203 1 19 LEU HA 1 19 LEU MD1 . . 3.990 3.670 2.707 3.887 . 0 0 "[ . 1 . 2]" 1 204 1 19 LEU HA 1 19 LEU QD . . 2.900 2.203 1.947 2.964 0.064 17 0 "[ . 1 . 2]" 1 205 1 19 LEU HA 1 19 LEU MD2 . . 3.990 2.293 1.978 3.598 . 0 0 "[ . 1 . 2]" 1 206 1 19 LEU HA 1 19 LEU HG . . 3.630 2.832 2.220 3.676 0.046 9 0 "[ . 1 . 2]" 1 207 1 19 LEU QB 1 19 LEU QD . . 2.850 1.902 1.823 1.930 . 0 0 "[ . 1 . 2]" 1 208 1 19 LEU QB 1 20 THR H . . 3.370 2.708 2.433 2.809 . 0 0 "[ . 1 . 2]" 1 209 1 19 LEU QB 1 82 VAL HB . . 4.060 3.187 2.776 3.505 . 0 0 "[ . 1 . 2]" 1 210 1 19 LEU QB 1 82 VAL QG . . 3.700 2.332 2.095 2.613 . 0 0 "[ . 1 . 2]" 1 211 1 19 LEU QB 1 83 ARG HA . . 4.250 2.252 1.981 2.841 . 0 0 "[ . 1 . 2]" 1 212 1 19 LEU QB 1 111 GLU HG2 . . 5.280 4.365 4.001 4.800 . 0 0 "[ . 1 . 2]" 1 213 1 19 LEU QB 1 111 GLU QG . . 4.500 3.862 3.581 4.094 . 0 0 "[ . 1 . 2]" 1 214 1 19 LEU QB 1 111 GLU HG3 . . 5.280 4.325 3.919 4.646 . 0 0 "[ . 1 . 2]" 1 215 1 19 LEU QD 1 40 TRP HH2 . . 4.260 2.553 2.049 3.187 . 0 0 "[ . 1 . 2]" 1 216 1 19 LEU QD 1 83 ARG HA . . 4.400 2.707 1.910 3.364 . 0 0 "[ . 1 . 2]" 1 217 1 19 LEU QD 1 84 ARG HA . . 4.830 3.410 2.968 4.002 . 0 0 "[ . 1 . 2]" 1 218 1 19 LEU QD 1 84 ARG QB . . 3.790 2.071 1.856 2.282 . 0 0 "[ . 1 . 2]" 1 219 1 19 LEU QD 1 111 GLU HA . . 4.520 3.986 3.711 4.566 0.046 9 0 "[ . 1 . 2]" 1 220 1 19 LEU QD 1 111 GLU QB . . 4.160 3.464 2.947 4.009 . 0 0 "[ . 1 . 2]" 1 221 1 19 LEU QD 1 111 GLU QG . . 3.280 2.128 1.854 2.621 . 0 0 "[ . 1 . 2]" 1 222 1 19 LEU QD 1 112 VAL H . . 5.120 4.577 4.195 5.129 0.009 9 0 "[ . 1 . 2]" 1 223 1 19 LEU MD1 1 83 ARG HA . . 5.050 2.861 1.913 4.512 . 0 0 "[ . 1 . 2]" 1 224 1 19 LEU MD1 1 84 ARG H . . 4.340 2.706 1.865 4.341 0.001 9 0 "[ . 1 . 2]" 1 225 1 19 LEU MD1 1 84 ARG QD . . 4.360 3.041 1.955 4.360 . 9 0 "[ . 1 . 2]" 1 226 1 19 LEU MD2 1 83 ARG HA . . 5.050 4.096 2.374 4.497 . 0 0 "[ . 1 . 2]" 1 227 1 19 LEU MD2 1 84 ARG H . . 4.340 3.966 1.879 4.356 0.016 4 0 "[ . 1 . 2]" 1 228 1 19 LEU MD2 1 84 ARG QD . . 4.360 3.297 1.972 4.357 . 0 0 "[ . 1 . 2]" 1 229 1 19 LEU HG 1 111 GLU QG . . 5.330 4.229 2.376 5.308 . 0 0 "[ . 1 . 2]" 1 230 1 20 THR H 1 20 THR HB . . 3.750 3.132 2.928 3.272 . 0 0 "[ . 1 . 2]" 1 231 1 20 THR H 1 20 THR MG . . 4.360 4.034 3.956 4.055 . 0 0 "[ . 1 . 2]" 1 232 1 20 THR H 1 82 VAL H . . 3.860 3.352 3.227 3.507 . 0 0 "[ . 1 . 2]" 1 233 1 20 THR H 1 82 VAL HB . . 3.640 2.995 2.613 3.221 . 0 0 "[ . 1 . 2]" 1 234 1 20 THR H 1 82 VAL QG . . 3.820 3.575 3.366 3.741 . 0 0 "[ . 1 . 2]" 1 235 1 20 THR H 1 83 ARG HA . . 4.840 3.772 3.664 3.923 . 0 0 "[ . 1 . 2]" 1 236 1 20 THR HA 1 20 THR MG . . 3.300 2.163 2.051 2.314 . 0 0 "[ . 1 . 2]" 1 237 1 20 THR HB 1 82 VAL H . . 4.270 3.277 3.009 3.659 . 0 0 "[ . 1 . 2]" 1 238 1 20 THR HB 1 82 VAL HB . . 3.730 2.018 1.981 2.226 . 0 0 "[ . 1 . 2]" 1 239 1 20 THR HB 1 82 VAL QG . . 3.520 2.450 1.961 2.782 . 0 0 "[ . 1 . 2]" 1 240 1 20 THR MG 1 21 GLU H . . 4.440 2.861 2.388 3.064 . 0 0 "[ . 1 . 2]" 1 241 1 20 THR MG 1 81 GLY HA2 . . 5.170 4.965 4.688 5.123 . 0 0 "[ . 1 . 2]" 1 242 1 20 THR MG 1 82 VAL H . . 4.400 4.375 4.139 4.429 0.029 16 0 "[ . 1 . 2]" 1 243 1 21 GLU H 1 21 GLU QB . . 3.900 2.323 2.137 2.628 . 0 0 "[ . 1 . 2]" 1 244 1 21 GLU HA 1 21 GLU QG . . 3.460 2.704 2.182 3.460 0.000 2 0 "[ . 1 . 2]" 1 245 1 21 GLU HA 1 22 GLY H . . 3.310 2.405 2.298 2.492 . 0 0 "[ . 1 . 2]" 1 246 1 21 GLU HA 1 81 GLY HA2 . . 4.360 4.097 3.733 4.308 . 0 0 "[ . 1 . 2]" 1 247 1 21 GLU QB 1 22 GLY H . . 4.260 2.651 2.215 3.188 . 0 0 "[ . 1 . 2]" 1 248 1 21 GLU QG 1 22 GLY H . . 4.290 3.115 1.925 4.073 . 0 0 "[ . 1 . 2]" 1 249 1 22 GLY H 1 23 SER H . . 4.750 2.963 1.900 4.142 . 0 0 "[ . 1 . 2]" 1 250 1 22 GLY H 1 81 GLY HA2 . . 4.320 3.773 3.566 4.025 . 0 0 "[ . 1 . 2]" 1 251 1 22 GLY H 1 81 GLY HA3 . . 4.750 4.695 4.506 4.763 0.013 3 0 "[ . 1 . 2]" 1 252 1 22 GLY QA 1 24 GLY H . . 4.600 4.063 3.679 4.617 0.017 9 0 "[ . 1 . 2]" 1 253 1 22 GLY QA 1 81 GLY H . . 3.850 3.382 3.123 3.760 . 0 0 "[ . 1 . 2]" 1 254 1 23 SER H 1 23 SER QB . . 3.590 2.760 2.178 3.449 . 0 0 "[ . 1 . 2]" 1 255 1 23 SER H 1 24 GLY H . . 3.940 3.541 2.771 3.954 0.014 10 0 "[ . 1 . 2]" 1 256 1 24 GLY H 1 78 LYS HB2 . . 4.380 3.586 3.102 4.214 . 0 0 "[ . 1 . 2]" 1 257 1 24 GLY H 1 78 LYS QB . . 3.850 2.976 2.592 3.431 . 0 0 "[ . 1 . 2]" 1 258 1 24 GLY H 1 78 LYS HB3 . . 4.380 3.214 2.713 3.931 . 0 0 "[ . 1 . 2]" 1 259 1 24 GLY H 1 78 LYS QD . . 4.900 3.530 3.084 4.219 . 0 0 "[ . 1 . 2]" 1 260 1 24 GLY H 1 79 VAL H . . 4.880 4.477 3.998 4.876 . 0 0 "[ . 1 . 2]" 1 261 1 24 GLY H 1 79 VAL HB . . 4.540 4.328 4.003 4.551 0.011 9 0 "[ . 1 . 2]" 1 262 1 24 GLY H 1 79 VAL MG1 . . 5.500 5.198 4.988 5.391 . 0 0 "[ . 1 . 2]" 1 263 1 24 GLY QA 1 25 ALA H . . 2.850 2.156 2.109 2.237 . 0 0 "[ . 1 . 2]" 1 264 1 24 GLY QA 1 25 ALA MB . . 3.800 3.593 3.476 3.763 . 0 0 "[ . 1 . 2]" 1 265 1 24 GLY QA 1 78 LYS QB . . 4.440 3.610 3.428 3.860 . 0 0 "[ . 1 . 2]" 1 266 1 24 GLY QA 1 79 VAL H . . 4.270 3.419 3.179 3.648 . 0 0 "[ . 1 . 2]" 1 267 1 24 GLY QA 1 79 VAL HB . . 3.260 2.041 1.968 2.334 . 0 0 "[ . 1 . 2]" 1 268 1 24 GLY QA 1 79 VAL MG2 . . 4.050 3.465 3.223 3.781 . 0 0 "[ . 1 . 2]" 1 269 1 24 GLY HA2 1 25 ALA H . . 3.420 3.210 2.796 3.427 0.007 11 0 "[ . 1 . 2]" 1 270 1 24 GLY HA2 1 25 ALA MB . . 4.350 4.093 3.880 4.282 . 0 0 "[ . 1 . 2]" 1 271 1 24 GLY HA2 1 79 VAL HB . . 3.780 3.456 3.149 3.777 . 0 0 "[ . 1 . 2]" 1 272 1 24 GLY HA2 1 79 VAL MG1 . . 4.380 4.201 3.889 4.377 . 0 0 "[ . 1 . 2]" 1 273 1 24 GLY HA3 1 25 ALA H . . 3.420 2.200 2.136 2.354 . 0 0 "[ . 1 . 2]" 1 274 1 24 GLY HA3 1 25 ALA MB . . 4.350 3.986 3.829 4.228 . 0 0 "[ . 1 . 2]" 1 275 1 24 GLY HA3 1 79 VAL HB . . 3.780 2.057 1.983 2.358 . 0 0 "[ . 1 . 2]" 1 276 1 24 GLY HA3 1 79 VAL MG1 . . 4.380 3.250 3.053 3.451 . 0 0 "[ . 1 . 2]" 1 277 1 25 ALA H 1 25 ALA MB . . 2.820 2.544 2.169 2.777 . 0 0 "[ . 1 . 2]" 1 278 1 25 ALA H 1 78 LYS QB . . 4.460 3.128 2.428 4.163 . 0 0 "[ . 1 . 2]" 1 279 1 25 ALA H 1 79 VAL H . . 4.060 2.224 1.897 3.035 . 0 0 "[ . 1 . 2]" 1 280 1 25 ALA H 1 79 VAL HB . . 3.320 2.037 1.931 2.290 . 0 0 "[ . 1 . 2]" 1 281 1 25 ALA H 1 79 VAL MG1 . . 4.210 3.707 3.541 3.959 . 0 0 "[ . 1 . 2]" 1 282 1 25 ALA H 1 79 VAL MG2 . . 3.770 2.352 1.939 2.928 . 0 0 "[ . 1 . 2]" 1 283 1 25 ALA HA 1 26 GLU H . . 2.730 2.193 2.147 2.241 . 0 0 "[ . 1 . 2]" 1 284 1 25 ALA HA 1 26 GLU QB . . 4.230 4.077 4.045 4.108 . 0 0 "[ . 1 . 2]" 1 285 1 25 ALA MB 1 26 GLU H . . 3.170 2.978 2.777 3.163 . 0 0 "[ . 1 . 2]" 1 286 1 25 ALA MB 1 79 VAL H . . 4.050 3.658 3.341 3.867 . 0 0 "[ . 1 . 2]" 1 287 1 25 ALA MB 1 117 VAL HB . . 5.500 5.095 3.764 5.478 . 0 0 "[ . 1 . 2]" 1 288 1 25 ALA MB 1 117 VAL MG1 . . 4.330 3.122 2.620 3.686 . 0 0 "[ . 1 . 2]" 1 289 1 25 ALA MB 1 117 VAL QG . . 3.680 2.836 1.853 3.171 . 0 0 "[ . 1 . 2]" 1 290 1 25 ALA MB 1 117 VAL MG2 . . 4.330 3.363 1.895 3.711 . 0 0 "[ . 1 . 2]" 1 291 1 26 GLU H 1 26 GLU QB . . 2.930 2.254 2.195 2.283 . 0 0 "[ . 1 . 2]" 1 292 1 26 GLU H 1 26 GLU QG . . 4.090 3.965 3.881 4.043 . 0 0 "[ . 1 . 2]" 1 293 1 26 GLU H 1 117 VAL QG . . 5.440 5.327 4.199 5.468 0.028 8 0 "[ . 1 . 2]" 1 294 1 26 GLU HA 1 26 GLU QG . . 3.420 2.435 2.273 2.539 . 0 0 "[ . 1 . 2]" 1 295 1 26 GLU HA 1 27 ALA H . . 2.910 2.182 2.156 2.213 . 0 0 "[ . 1 . 2]" 1 296 1 26 GLU HA 1 78 LYS HA . . 3.680 1.987 1.960 2.013 . 0 0 "[ . 1 . 2]" 1 297 1 26 GLU HA 1 78 LYS HG2 . . 4.530 2.229 1.994 2.598 . 0 0 "[ . 1 . 2]" 1 298 1 26 GLU HA 1 78 LYS HG3 . . 3.690 3.478 2.553 3.695 0.005 15 0 "[ . 1 . 2]" 1 299 1 26 GLU HA 1 79 VAL H . . 4.280 3.715 3.560 3.916 . 0 0 "[ . 1 . 2]" 1 300 1 26 GLU QB 1 27 ALA H . . 3.830 3.654 3.544 3.733 . 0 0 "[ . 1 . 2]" 1 301 1 26 GLU QB 1 78 LYS HG2 . . 3.940 2.167 1.996 2.370 . 0 0 "[ . 1 . 2]" 1 302 1 26 GLU QB 1 78 LYS HG3 . . 3.990 3.498 2.920 3.894 . 0 0 "[ . 1 . 2]" 1 303 1 26 GLU QG 1 27 ALA H . . 3.510 2.495 2.199 2.699 . 0 0 "[ . 1 . 2]" 1 304 1 26 GLU QG 1 27 ALA MB . . 3.780 3.547 3.383 3.713 . 0 0 "[ . 1 . 2]" 1 305 1 26 GLU QG 1 76 GLY H . . 4.590 4.086 3.688 4.367 . 0 0 "[ . 1 . 2]" 1 306 1 26 GLU QG 1 76 GLY HA2 . . 4.450 2.746 2.498 3.015 . 0 0 "[ . 1 . 2]" 1 307 1 26 GLU QG 1 76 GLY QA . . 3.580 2.702 2.466 2.958 . 0 0 "[ . 1 . 2]" 1 308 1 26 GLU QG 1 76 GLY HA3 . . 4.450 4.038 3.765 4.280 . 0 0 "[ . 1 . 2]" 1 309 1 26 GLU QG 1 78 LYS H . . 5.310 4.889 4.384 5.246 . 0 0 "[ . 1 . 2]" 1 310 1 26 GLU QG 1 78 LYS QE . . 4.160 3.841 2.876 4.147 . 0 0 "[ . 1 . 2]" 1 311 1 26 GLU QG 1 78 LYS HG2 . . 3.990 3.016 2.210 3.531 . 0 0 "[ . 1 . 2]" 1 312 1 26 GLU QG 1 78 LYS HG3 . . 4.620 3.663 2.270 4.448 . 0 0 "[ . 1 . 2]" 1 313 1 27 ALA H 1 27 ALA MB . . 3.060 2.138 2.025 2.237 . 0 0 "[ . 1 . 2]" 1 314 1 27 ALA H 1 28 ARG H . . 4.650 4.636 4.607 4.642 . 0 0 "[ . 1 . 2]" 1 315 1 27 ALA H 1 76 GLY H . . 5.500 4.843 4.111 5.246 . 0 0 "[ . 1 . 2]" 1 316 1 27 ALA H 1 77 MET H . . 5.010 4.642 4.257 4.843 . 0 0 "[ . 1 . 2]" 1 317 1 27 ALA H 1 78 LYS HA . . 3.840 3.060 2.728 3.300 . 0 0 "[ . 1 . 2]" 1 318 1 27 ALA H 1 78 LYS HG2 . . 4.560 4.192 3.707 4.566 0.006 7 0 "[ . 1 . 2]" 1 319 1 27 ALA H 1 79 VAL H . . 5.500 4.693 4.466 4.947 . 0 0 "[ . 1 . 2]" 1 320 1 27 ALA H 1 114 LEU QD . . 3.800 3.398 2.977 3.803 0.003 17 0 "[ . 1 . 2]" 1 321 1 27 ALA HA 1 28 ARG H . . 2.790 2.298 2.199 2.347 . 0 0 "[ . 1 . 2]" 1 322 1 27 ALA HA 1 31 GLN HE21 . . 5.500 4.782 4.218 5.497 . 0 0 "[ . 1 . 2]" 1 323 1 27 ALA HA 1 31 GLN HE22 . . 4.670 4.058 3.522 4.687 0.017 14 0 "[ . 1 . 2]" 1 324 1 27 ALA HA 1 61 LEU QD . . 4.070 3.509 3.276 3.767 . 0 0 "[ . 1 . 2]" 1 325 1 27 ALA HA 1 117 VAL QG . . 3.570 3.187 2.489 3.581 0.011 2 0 "[ . 1 . 2]" 1 326 1 27 ALA MB 1 28 ARG H . . 3.510 2.683 2.512 2.902 . 0 0 "[ . 1 . 2]" 1 327 1 27 ALA MB 1 33 VAL MG1 . . 3.110 2.765 2.221 3.002 . 0 0 "[ . 1 . 2]" 1 328 1 27 ALA MB 1 33 VAL MG2 . . 3.450 2.611 2.279 2.927 . 0 0 "[ . 1 . 2]" 1 329 1 27 ALA MB 1 61 LEU HB3 . . 4.270 3.894 3.489 4.173 . 0 0 "[ . 1 . 2]" 1 330 1 27 ALA MB 1 61 LEU QD . . 2.650 1.814 1.732 1.979 . 0 0 "[ . 1 . 2]" 1 331 1 27 ALA MB 1 74 VAL HA . . 5.270 4.035 3.754 4.275 . 0 0 "[ . 1 . 2]" 1 332 1 27 ALA MB 1 74 VAL QG . . 3.110 2.735 2.336 2.978 . 0 0 "[ . 1 . 2]" 1 333 1 27 ALA MB 1 75 GLN HA . . 3.680 2.906 2.438 3.449 . 0 0 "[ . 1 . 2]" 1 334 1 27 ALA MB 1 76 GLY H . . 4.300 3.865 3.087 4.321 0.021 7 0 "[ . 1 . 2]" 1 335 1 27 ALA MB 1 77 MET H . . 4.360 4.166 3.889 4.352 . 0 0 "[ . 1 . 2]" 1 336 1 28 ARG H 1 28 ARG HB2 . . 3.930 2.649 2.438 2.783 . 0 0 "[ . 1 . 2]" 1 337 1 28 ARG H 1 28 ARG QB . . 3.180 2.573 2.380 2.721 . 0 0 "[ . 1 . 2]" 1 338 1 28 ARG H 1 28 ARG HB3 . . 3.930 3.541 3.169 3.844 . 0 0 "[ . 1 . 2]" 1 339 1 28 ARG H 1 28 ARG QD . . 4.490 4.264 3.835 4.547 0.057 18 0 "[ . 1 . 2]" 1 340 1 28 ARG H 1 31 GLN HB2 . . 5.460 4.900 4.772 5.070 . 0 0 "[ . 1 . 2]" 1 341 1 28 ARG H 1 31 GLN HE21 . . 5.250 4.451 4.279 4.836 . 0 0 "[ . 1 . 2]" 1 342 1 28 ARG H 1 31 GLN HE22 . . 4.670 4.164 3.880 4.500 . 0 0 "[ . 1 . 2]" 1 343 1 28 ARG H 1 31 GLN HG2 . . 4.260 2.393 2.284 2.582 . 0 0 "[ . 1 . 2]" 1 344 1 28 ARG H 1 31 GLN QG . . 3.470 2.340 2.258 2.550 . 0 0 "[ . 1 . 2]" 1 345 1 28 ARG H 1 31 GLN HG3 . . 4.260 3.506 2.697 3.970 . 0 0 "[ . 1 . 2]" 1 346 1 28 ARG H 1 33 VAL MG1 . . 3.730 3.719 3.186 3.788 0.058 13 0 "[ . 1 . 2]" 1 347 1 28 ARG H 1 61 LEU HB3 . . 5.500 3.970 3.673 4.317 . 0 0 "[ . 1 . 2]" 1 348 1 28 ARG H 1 61 LEU QD . . 3.700 2.473 2.225 2.739 . 0 0 "[ . 1 . 2]" 1 349 1 28 ARG HA 1 28 ARG QD . . 4.260 3.369 2.130 4.281 0.021 8 0 "[ . 1 . 2]" 1 350 1 28 ARG HA 1 29 ALA H . . 2.780 2.202 2.197 2.207 . 0 0 "[ . 1 . 2]" 1 351 1 28 ARG HA 1 29 ALA MB . . 4.020 3.993 3.947 4.041 0.021 4 0 "[ . 1 . 2]" 1 352 1 28 ARG HA 1 61 LEU QD . . 3.840 2.589 2.328 2.858 . 0 0 "[ . 1 . 2]" 1 353 1 28 ARG HA 1 75 GLN HA . . 5.180 4.398 3.951 5.044 . 0 0 "[ . 1 . 2]" 1 354 1 28 ARG QB 1 28 ARG QD . . 2.780 2.203 2.051 2.491 . 0 0 "[ . 1 . 2]" 1 355 1 28 ARG QB 1 29 ALA H . . 3.300 3.124 2.928 3.361 0.061 13 0 "[ . 1 . 2]" 1 356 1 28 ARG QB 1 31 GLN HE21 . . 5.010 4.645 3.126 5.027 0.017 1 0 "[ . 1 . 2]" 1 357 1 28 ARG QB 1 31 GLN HE22 . . 4.440 4.218 3.462 4.500 0.060 11 0 "[ . 1 . 2]" 1 358 1 28 ARG HB2 1 28 ARG QD . . 3.450 2.534 2.119 3.433 . 0 0 "[ . 1 . 2]" 1 359 1 28 ARG HB3 1 28 ARG QD . . 3.450 2.719 2.147 3.452 0.002 5 0 "[ . 1 . 2]" 1 360 1 29 ALA H 1 29 ALA MB . . 2.800 2.116 2.026 2.225 . 0 0 "[ . 1 . 2]" 1 361 1 29 ALA H 1 30 GLY H . . 4.640 4.490 4.443 4.523 . 0 0 "[ . 1 . 2]" 1 362 1 29 ALA H 1 61 LEU HB3 . . 4.780 4.351 3.897 4.799 0.019 16 0 "[ . 1 . 2]" 1 363 1 29 ALA H 1 61 LEU QD . . 4.240 2.759 2.571 2.944 . 0 0 "[ . 1 . 2]" 1 364 1 29 ALA HA 1 30 GLY H . . 2.970 2.146 2.145 2.149 . 0 0 "[ . 1 . 2]" 1 365 1 29 ALA HA 1 30 GLY QA . . 4.510 3.913 3.905 3.920 . 0 0 "[ . 1 . 2]" 1 366 1 29 ALA HA 1 31 GLN H . . 3.870 3.572 3.527 3.701 . 0 0 "[ . 1 . 2]" 1 367 1 29 ALA HA 1 61 LEU HA . . 4.930 4.330 4.071 4.625 . 0 0 "[ . 1 . 2]" 1 368 1 29 ALA HA 1 61 LEU HB2 . . 4.410 3.953 3.661 4.339 . 0 0 "[ . 1 . 2]" 1 369 1 29 ALA HA 1 61 LEU HB3 . . 3.930 2.455 2.079 2.986 . 0 0 "[ . 1 . 2]" 1 370 1 29 ALA HA 1 61 LEU MD1 . . 4.560 3.661 3.582 3.747 . 0 0 "[ . 1 . 2]" 1 371 1 29 ALA HA 1 61 LEU QD . . 3.780 2.820 2.618 2.953 . 0 0 "[ . 1 . 2]" 1 372 1 29 ALA HA 1 61 LEU MD2 . . 4.560 2.938 2.675 3.145 . 0 0 "[ . 1 . 2]" 1 373 1 29 ALA HA 1 61 LEU HG . . 3.600 1.990 1.952 2.040 . 0 0 "[ . 1 . 2]" 1 374 1 29 ALA MB 1 30 GLY H . . 3.500 3.252 3.189 3.330 . 0 0 "[ . 1 . 2]" 1 375 1 29 ALA MB 1 31 GLN H . . 4.910 4.574 4.561 4.616 . 0 0 "[ . 1 . 2]" 1 376 1 29 ALA MB 1 61 LEU QD . . 3.980 3.148 2.934 3.375 . 0 0 "[ . 1 . 2]" 1 377 1 29 ALA MB 1 62 GLY HA2 . . 4.210 3.634 3.029 4.235 0.025 16 0 "[ . 1 . 2]" 1 378 1 29 ALA MB 1 62 GLY QA . . 3.680 2.404 1.961 3.052 . 0 0 "[ . 1 . 2]" 1 379 1 29 ALA MB 1 62 GLY HA3 . . 4.210 2.449 1.973 3.197 . 0 0 "[ . 1 . 2]" 1 380 1 29 ALA MB 1 75 GLN HE21 . . 5.160 4.740 3.931 5.168 0.008 20 0 "[ . 1 . 2]" 1 381 1 29 ALA MB 1 75 GLN QE . . 4.470 4.288 3.624 4.519 0.049 14 0 "[ . 1 . 2]" 1 382 1 29 ALA MB 1 75 GLN HE22 . . 5.160 4.931 4.246 5.209 0.049 16 0 "[ . 1 . 2]" 1 383 1 30 GLY H 1 31 GLN H . . 3.470 2.422 2.327 2.640 . 0 0 "[ . 1 . 2]" 1 384 1 30 GLY H 1 60 VAL QG . . 4.130 2.838 2.300 3.313 . 0 0 "[ . 1 . 2]" 1 385 1 30 GLY H 1 61 LEU HB2 . . 4.740 4.343 4.051 4.765 0.025 11 0 "[ . 1 . 2]" 1 386 1 30 GLY H 1 61 LEU HB3 . . 4.160 2.696 2.400 3.133 . 0 0 "[ . 1 . 2]" 1 387 1 30 GLY H 1 61 LEU MD1 . . 5.200 4.729 4.604 4.844 . 0 0 "[ . 1 . 2]" 1 388 1 30 GLY H 1 61 LEU QD . . 4.490 3.937 3.697 4.143 . 0 0 "[ . 1 . 2]" 1 389 1 30 GLY H 1 61 LEU MD2 . . 5.200 4.216 3.880 4.510 . 0 0 "[ . 1 . 2]" 1 390 1 30 GLY H 1 61 LEU HG . . 4.150 3.674 3.407 3.887 . 0 0 "[ . 1 . 2]" 1 391 1 30 GLY H 1 62 GLY QA . . 4.340 3.757 3.440 4.142 . 0 0 "[ . 1 . 2]" 1 392 1 30 GLY QA 1 60 VAL QG . . 3.460 2.656 2.344 2.989 . 0 0 "[ . 1 . 2]" 1 393 1 31 GLN H 1 31 GLN HB2 . . 4.010 3.685 3.620 3.706 . 0 0 "[ . 1 . 2]" 1 394 1 31 GLN H 1 31 GLN HB3 . . 3.280 2.580 2.383 2.856 . 0 0 "[ . 1 . 2]" 1 395 1 31 GLN H 1 31 GLN QG . . 3.580 2.511 2.248 2.805 . 0 0 "[ . 1 . 2]" 1 396 1 31 GLN H 1 60 VAL QG . . 3.990 3.404 2.858 3.904 . 0 0 "[ . 1 . 2]" 1 397 1 31 GLN H 1 61 LEU HB3 . . 3.370 3.065 2.779 3.380 0.010 11 0 "[ . 1 . 2]" 1 398 1 31 GLN H 1 61 LEU HG . . 5.480 4.892 4.542 5.084 . 0 0 "[ . 1 . 2]" 1 399 1 31 GLN HA 1 31 GLN HE21 . . 5.160 4.725 4.177 5.032 . 0 0 "[ . 1 . 2]" 1 400 1 31 GLN HA 1 32 THR H . . 2.950 2.245 2.203 2.295 . 0 0 "[ . 1 . 2]" 1 401 1 31 GLN HA 1 60 VAL QG . . 4.190 3.462 3.027 3.749 . 0 0 "[ . 1 . 2]" 1 402 1 31 GLN HB2 1 31 GLN HE21 . . 4.640 2.626 1.935 3.024 . 0 0 "[ . 1 . 2]" 1 403 1 31 GLN HB2 1 32 THR H . . 3.530 2.984 2.814 3.200 . 0 0 "[ . 1 . 2]" 1 404 1 31 GLN HB3 1 31 GLN HE21 . . 3.950 3.491 2.400 3.976 0.026 6 0 "[ . 1 . 2]" 1 405 1 31 GLN HB3 1 31 GLN HE22 . . 4.430 4.215 3.838 4.410 . 0 0 "[ . 1 . 2]" 1 406 1 31 GLN HB3 1 32 THR H . . 4.610 4.176 4.002 4.301 . 0 0 "[ . 1 . 2]" 1 407 1 31 GLN HE21 1 33 VAL MG1 . . 4.360 2.969 2.221 4.415 0.055 19 0 "[ . 1 . 2]" 1 408 1 31 GLN HE21 1 117 VAL HB . . 4.280 2.846 2.026 4.340 0.060 14 0 "[ . 1 . 2]" 1 409 1 31 GLN HE21 1 117 VAL QG . . 4.950 3.072 2.314 4.263 . 0 0 "[ . 1 . 2]" 1 410 1 31 GLN HE22 1 117 VAL HB . . 4.410 2.999 2.520 4.423 0.013 14 0 "[ . 1 . 2]" 1 411 1 31 GLN HE22 1 117 VAL MG1 . . 4.320 2.968 2.126 4.324 0.004 17 0 "[ . 1 . 2]" 1 412 1 31 GLN HE22 1 117 VAL MG2 . . 4.320 3.425 3.008 4.127 . 0 0 "[ . 1 . 2]" 1 413 1 31 GLN QG 1 32 THR H . . 4.840 3.366 3.107 3.979 . 0 0 "[ . 1 . 2]" 1 414 1 31 GLN QG 1 33 VAL MG1 . . 3.830 2.136 1.926 2.902 . 0 0 "[ . 1 . 2]" 1 415 1 32 THR H 1 32 THR HB . . 3.230 2.691 2.502 2.873 . 0 0 "[ . 1 . 2]" 1 416 1 32 THR H 1 32 THR MG . . 4.070 3.804 3.757 3.837 . 0 0 "[ . 1 . 2]" 1 417 1 32 THR H 1 33 VAL MG1 . . 4.590 4.006 3.888 4.176 . 0 0 "[ . 1 . 2]" 1 418 1 32 THR H 1 60 VAL QG . . 4.910 3.620 3.297 3.936 . 0 0 "[ . 1 . 2]" 1 419 1 32 THR HA 1 32 THR MG . . 3.330 2.310 2.238 2.401 . 0 0 "[ . 1 . 2]" 1 420 1 32 THR HA 1 33 VAL H . . 3.040 2.200 2.169 2.253 . 0 0 "[ . 1 . 2]" 1 421 1 32 THR HA 1 33 VAL MG2 . . 4.290 3.841 3.653 3.963 . 0 0 "[ . 1 . 2]" 1 422 1 32 THR HA 1 60 VAL HA . . 3.370 1.971 1.952 1.986 . 0 0 "[ . 1 . 2]" 1 423 1 32 THR HA 1 60 VAL QG . . 4.950 3.007 2.582 3.367 . 0 0 "[ . 1 . 2]" 1 424 1 32 THR HA 1 61 LEU H . . 3.920 3.143 2.630 3.531 . 0 0 "[ . 1 . 2]" 1 425 1 32 THR MG 1 33 VAL H . . 3.500 2.198 2.021 2.460 . 0 0 "[ . 1 . 2]" 1 426 1 32 THR MG 1 33 VAL MG2 . . 4.110 4.023 3.861 4.118 0.008 5 0 "[ . 1 . 2]" 1 427 1 32 THR MG 1 58 ALA HA . . 4.320 3.987 3.688 4.288 . 0 0 "[ . 1 . 2]" 1 428 1 32 THR MG 1 58 ALA MB . . 4.580 3.105 2.921 3.320 . 0 0 "[ . 1 . 2]" 1 429 1 32 THR MG 1 59 PHE H . . 3.760 2.835 2.646 3.076 . 0 0 "[ . 1 . 2]" 1 430 1 33 VAL H 1 33 VAL MG1 . . 3.700 2.993 2.851 3.077 . 0 0 "[ . 1 . 2]" 1 431 1 33 VAL H 1 33 VAL MG2 . . 3.250 2.354 2.259 2.455 . 0 0 "[ . 1 . 2]" 1 432 1 33 VAL H 1 58 ALA HA . . 4.470 4.299 4.127 4.479 0.009 18 0 "[ . 1 . 2]" 1 433 1 33 VAL H 1 58 ALA MB . . 4.510 4.391 4.106 4.543 0.033 15 0 "[ . 1 . 2]" 1 434 1 33 VAL H 1 60 VAL H . . 5.170 5.011 4.918 5.103 . 0 0 "[ . 1 . 2]" 1 435 1 33 VAL H 1 60 VAL HA . . 4.030 3.516 3.349 3.665 . 0 0 "[ . 1 . 2]" 1 436 1 33 VAL H 1 61 LEU H . . 4.770 4.248 3.821 4.493 . 0 0 "[ . 1 . 2]" 1 437 1 33 VAL HA 1 33 VAL MG1 . . 3.340 2.374 2.288 2.457 . 0 0 "[ . 1 . 2]" 1 438 1 33 VAL HA 1 34 SER H . . 3.000 2.362 2.294 2.419 . 0 0 "[ . 1 . 2]" 1 439 1 33 VAL HA 1 58 ALA MB . . 5.080 4.551 4.329 4.831 . 0 0 "[ . 1 . 2]" 1 440 1 33 VAL HA 1 117 VAL HA . . 3.360 2.398 2.118 2.853 . 0 0 "[ . 1 . 2]" 1 441 1 33 VAL HA 1 117 VAL HB . . 4.930 4.275 3.918 4.892 . 0 0 "[ . 1 . 2]" 1 442 1 33 VAL HA 1 117 VAL QG . . 4.300 3.867 3.621 4.049 . 0 0 "[ . 1 . 2]" 1 443 1 33 VAL HB 1 34 SER H . . 3.300 2.508 2.386 2.669 . 0 0 "[ . 1 . 2]" 1 444 1 33 VAL HB 1 116 ASP H . . 4.880 4.352 4.192 4.755 . 0 0 "[ . 1 . 2]" 1 445 1 33 VAL HB 1 117 VAL HA . . 3.940 2.293 2.062 2.688 . 0 0 "[ . 1 . 2]" 1 446 1 33 VAL MG1 1 34 SER H . . 3.860 3.802 3.725 3.872 0.012 5 0 "[ . 1 . 2]" 1 447 1 33 VAL MG1 1 117 VAL HA . . 3.060 1.984 1.933 2.151 . 0 0 "[ . 1 . 2]" 1 448 1 33 VAL MG2 1 34 SER H . . 4.250 3.374 3.241 3.539 . 0 0 "[ . 1 . 2]" 1 449 1 33 VAL MG2 1 58 ALA HA . . 4.910 4.284 4.037 4.476 . 0 0 "[ . 1 . 2]" 1 450 1 33 VAL MG2 1 58 ALA MB . . 5.300 4.887 4.550 5.095 . 0 0 "[ . 1 . 2]" 1 451 1 33 VAL MG2 1 59 PHE H . . 3.780 3.552 3.380 3.758 . 0 0 "[ . 1 . 2]" 1 452 1 33 VAL MG2 1 59 PHE QD . . 4.100 4.049 3.859 4.117 0.017 5 0 "[ . 1 . 2]" 1 453 1 33 VAL MG2 1 59 PHE QE . . 4.080 3.722 3.364 3.878 . 0 0 "[ . 1 . 2]" 1 454 1 33 VAL MG2 1 59 PHE HZ . . 4.630 4.571 4.324 4.683 0.053 16 0 "[ . 1 . 2]" 1 455 1 33 VAL MG2 1 61 LEU H . . 4.500 4.098 3.314 4.325 . 0 0 "[ . 1 . 2]" 1 456 1 33 VAL MG2 1 61 LEU HA . . 4.870 4.629 3.818 4.903 0.033 4 0 "[ . 1 . 2]" 1 457 1 33 VAL MG2 1 61 LEU HB2 . . 3.990 3.329 2.689 3.702 . 0 0 "[ . 1 . 2]" 1 458 1 33 VAL MG2 1 61 LEU HB3 . . 4.960 4.522 4.040 4.756 . 0 0 "[ . 1 . 2]" 1 459 1 33 VAL MG2 1 61 LEU QD . . 4.010 3.567 3.061 4.018 0.008 7 0 "[ . 1 . 2]" 1 460 1 33 VAL MG2 1 74 VAL QG . . 3.190 2.875 2.336 3.188 . 0 0 "[ . 1 . 2]" 1 461 1 33 VAL MG2 1 114 LEU QD . . 3.480 2.633 2.176 3.042 . 0 0 "[ . 1 . 2]" 1 462 1 33 VAL MG2 1 117 VAL QG . . 4.020 3.555 3.376 3.883 . 0 0 "[ . 1 . 2]" 1 463 1 34 SER H 1 34 SER HB2 . . 3.760 2.703 2.269 3.718 . 0 0 "[ . 1 . 2]" 1 464 1 34 SER H 1 34 SER HB3 . . 3.760 3.236 2.520 3.628 . 0 0 "[ . 1 . 2]" 1 465 1 34 SER H 1 114 LEU QD . . 3.630 3.298 2.992 3.479 . 0 0 "[ . 1 . 2]" 1 466 1 34 SER H 1 117 VAL HA . . 4.030 3.160 2.807 3.476 . 0 0 "[ . 1 . 2]" 1 467 1 34 SER HA 1 35 VAL H . . 3.080 2.143 2.138 2.151 . 0 0 "[ . 1 . 2]" 1 468 1 34 SER HA 1 35 VAL MG1 . . 4.340 3.565 3.464 3.690 . 0 0 "[ . 1 . 2]" 1 469 1 34 SER HA 1 35 VAL MG2 . . 4.920 4.066 3.964 4.214 . 0 0 "[ . 1 . 2]" 1 470 1 34 SER HA 1 57 PHE H . . 5.100 4.759 3.984 5.088 . 0 0 "[ . 1 . 2]" 1 471 1 34 SER HA 1 58 ALA HA . . 3.310 1.996 1.975 2.051 . 0 0 "[ . 1 . 2]" 1 472 1 34 SER HA 1 58 ALA MB . . 3.600 2.840 2.178 3.176 . 0 0 "[ . 1 . 2]" 1 473 1 34 SER HA 1 59 PHE H . . 4.130 3.595 3.520 3.677 . 0 0 "[ . 1 . 2]" 1 474 1 34 SER HA 1 115 LEU QD . . 4.890 4.454 3.843 4.919 0.029 12 0 "[ . 1 . 2]" 1 475 1 34 SER QB 1 58 ALA HA . . 4.670 3.692 3.043 4.130 . 0 0 "[ . 1 . 2]" 1 476 1 34 SER QB 1 58 ALA MB . . 4.100 2.930 2.096 3.457 . 0 0 "[ . 1 . 2]" 1 477 1 34 SER QB 1 115 LEU QB . . 3.940 2.869 2.513 3.788 . 0 0 "[ . 1 . 2]" 1 478 1 34 SER QB 1 115 LEU QD . . 4.570 2.974 2.396 3.892 . 0 0 "[ . 1 . 2]" 1 479 1 34 SER QB 1 116 ASP H . . 3.900 3.429 3.118 3.945 0.045 4 0 "[ . 1 . 2]" 1 480 1 34 SER QB 1 116 ASP QB . . 3.850 3.568 3.066 3.861 0.011 17 0 "[ . 1 . 2]" 1 481 1 34 SER HB2 1 58 ALA MB . . 4.670 3.341 2.350 3.867 . 0 0 "[ . 1 . 2]" 1 482 1 34 SER HB2 1 115 LEU QB . . 4.630 3.751 2.723 4.540 . 0 0 "[ . 1 . 2]" 1 483 1 34 SER HB2 1 116 ASP QB . . 4.700 3.975 3.124 4.708 0.008 4 0 "[ . 1 . 2]" 1 484 1 34 SER HB3 1 58 ALA MB . . 4.670 3.561 2.112 4.182 . 0 0 "[ . 1 . 2]" 1 485 1 34 SER HB3 1 115 LEU QB . . 4.630 3.246 2.572 4.522 . 0 0 "[ . 1 . 2]" 1 486 1 34 SER HB3 1 116 ASP QB . . 4.700 4.268 3.427 4.727 0.027 19 0 "[ . 1 . 2]" 1 487 1 35 VAL H 1 35 VAL MG1 . . 3.990 2.823 2.700 2.883 . 0 0 "[ . 1 . 2]" 1 488 1 35 VAL H 1 35 VAL MG2 . . 3.410 2.384 2.251 2.497 . 0 0 "[ . 1 . 2]" 1 489 1 35 VAL H 1 57 PHE H . . 4.120 3.453 2.833 3.774 . 0 0 "[ . 1 . 2]" 1 490 1 35 VAL H 1 57 PHE QB . . 4.390 3.341 2.981 3.825 . 0 0 "[ . 1 . 2]" 1 491 1 35 VAL H 1 58 ALA HA . . 4.250 3.276 2.810 3.578 . 0 0 "[ . 1 . 2]" 1 492 1 35 VAL H 1 58 ALA MB . . 4.640 4.297 3.775 4.658 0.018 9 0 "[ . 1 . 2]" 1 493 1 35 VAL H 1 115 LEU MD1 . . 5.500 3.932 3.202 4.690 . 0 0 "[ . 1 . 2]" 1 494 1 35 VAL H 1 115 LEU QD . . 4.370 3.817 3.181 4.405 0.035 3 0 "[ . 1 . 2]" 1 495 1 35 VAL H 1 115 LEU MD2 . . 5.500 5.486 5.318 5.549 0.049 14 0 "[ . 1 . 2]" 1 496 1 35 VAL HA 1 36 HIS H . . 3.170 2.391 2.309 2.538 . 0 0 "[ . 1 . 2]" 1 497 1 35 VAL HA 1 115 LEU H . . 3.680 2.503 2.149 2.792 . 0 0 "[ . 1 . 2]" 1 498 1 35 VAL HA 1 115 LEU QB . . 4.280 3.701 2.906 4.312 0.032 3 0 "[ . 1 . 2]" 1 499 1 35 VAL HA 1 115 LEU MD1 . . 4.500 2.677 1.868 3.785 . 0 0 "[ . 1 . 2]" 1 500 1 35 VAL HA 1 115 LEU QD . . 3.320 2.420 1.866 3.172 . 0 0 "[ . 1 . 2]" 1 501 1 35 VAL HA 1 115 LEU MD2 . . 4.500 3.828 3.111 4.519 0.019 2 0 "[ . 1 . 2]" 1 502 1 35 VAL HA 1 115 LEU HG . . 4.130 3.110 1.969 4.135 0.005 6 0 "[ . 1 . 2]" 1 503 1 35 VAL HA 1 116 ASP H . . 4.910 4.297 3.956 4.558 . 0 0 "[ . 1 . 2]" 1 504 1 35 VAL HB 1 36 HIS H . . 3.380 2.500 2.197 2.670 . 0 0 "[ . 1 . 2]" 1 505 1 35 VAL HB 1 112 VAL MG1 . . 3.550 2.900 2.611 3.287 . 0 0 "[ . 1 . 2]" 1 506 1 35 VAL HB 1 113 GLU H . . 4.410 3.289 3.100 3.474 . 0 0 "[ . 1 . 2]" 1 507 1 35 VAL HB 1 115 LEU H . . 5.010 4.026 3.488 4.562 . 0 0 "[ . 1 . 2]" 1 508 1 35 VAL MG1 1 114 LEU HA . . 4.320 2.130 1.957 2.453 . 0 0 "[ . 1 . 2]" 1 509 1 35 VAL MG2 1 36 HIS H . . 4.200 3.115 2.909 3.350 . 0 0 "[ . 1 . 2]" 1 510 1 35 VAL MG2 1 37 TYR QD . . 4.540 3.855 3.637 4.108 . 0 0 "[ . 1 . 2]" 1 511 1 35 VAL MG2 1 57 PHE H . . 4.080 4.009 3.878 4.102 0.022 10 0 "[ . 1 . 2]" 1 512 1 35 VAL MG2 1 57 PHE HB2 . . 4.420 4.124 3.843 4.426 0.006 16 0 "[ . 1 . 2]" 1 513 1 35 VAL MG2 1 57 PHE QB . . 3.850 2.731 2.456 2.983 . 0 0 "[ . 1 . 2]" 1 514 1 35 VAL MG2 1 57 PHE HB3 . . 4.420 2.772 2.484 3.032 . 0 0 "[ . 1 . 2]" 1 515 1 35 VAL MG2 1 57 PHE QD . . 3.600 3.325 2.829 3.608 0.008 16 0 "[ . 1 . 2]" 1 516 1 35 VAL MG2 1 59 PHE QD . . 4.390 3.666 3.222 3.886 . 0 0 "[ . 1 . 2]" 1 517 1 35 VAL MG2 1 59 PHE QE . . 4.260 2.412 1.941 2.810 . 0 0 "[ . 1 . 2]" 1 518 1 35 VAL MG2 1 59 PHE HZ . . 4.460 3.891 3.374 4.475 0.015 11 0 "[ . 1 . 2]" 1 519 1 36 HIS H 1 36 HIS QB . . 3.590 2.317 2.288 2.422 . 0 0 "[ . 1 . 2]" 1 520 1 36 HIS H 1 112 VAL HA . . 4.930 4.489 4.205 4.863 . 0 0 "[ . 1 . 2]" 1 521 1 36 HIS H 1 112 VAL MG1 . . 4.390 4.030 3.715 4.402 0.012 14 0 "[ . 1 . 2]" 1 522 1 36 HIS H 1 113 GLU H . . 3.920 2.739 2.436 3.082 . 0 0 "[ . 1 . 2]" 1 523 1 36 HIS H 1 113 GLU HB2 . . 4.760 4.304 3.031 4.791 0.031 2 0 "[ . 1 . 2]" 1 524 1 36 HIS H 1 113 GLU HB3 . . 4.760 4.218 2.883 4.899 0.139 6 0 "[ . 1 . 2]" 1 525 1 36 HIS H 1 113 GLU QG . . 4.840 2.978 2.183 4.122 . 0 0 "[ . 1 . 2]" 1 526 1 36 HIS H 1 114 LEU HA . . 4.880 3.804 3.546 4.026 . 0 0 "[ . 1 . 2]" 1 527 1 36 HIS H 1 115 LEU H . . 4.520 4.366 3.986 4.521 0.001 17 0 "[ . 1 . 2]" 1 528 1 36 HIS H 1 115 LEU MD1 . . 4.800 3.194 2.151 4.760 . 0 0 "[ . 1 . 2]" 1 529 1 36 HIS H 1 115 LEU QD . . 3.620 2.740 2.148 3.447 . 0 0 "[ . 1 . 2]" 1 530 1 36 HIS H 1 115 LEU MD2 . . 4.800 4.036 3.110 4.850 0.050 9 0 "[ . 1 . 2]" 1 531 1 36 HIS H 1 115 LEU HG . . 4.490 3.989 3.157 4.522 0.032 14 0 "[ . 1 . 2]" 1 532 1 36 HIS HA 1 37 TYR H . . 3.430 2.169 2.166 2.190 . 0 0 "[ . 1 . 2]" 1 533 1 36 HIS HA 1 56 PRO HA . . 5.020 3.632 3.167 4.233 . 0 0 "[ . 1 . 2]" 1 534 1 36 HIS HA 1 113 GLU H . . 4.930 4.732 4.528 4.935 0.005 16 0 "[ . 1 . 2]" 1 535 1 36 HIS QB 1 37 TYR H . . 4.130 3.242 3.184 3.350 . 0 0 "[ . 1 . 2]" 1 536 1 36 HIS QB 1 113 GLU H . . 4.690 3.551 3.182 3.831 . 0 0 "[ . 1 . 2]" 1 537 1 36 HIS QB 1 115 LEU QD . . 4.040 2.605 2.141 3.114 . 0 0 "[ . 1 . 2]" 1 538 1 36 HIS HD2 1 56 PRO HA . . 4.310 3.847 3.351 4.300 . 0 0 "[ . 1 . 2]" 1 539 1 36 HIS HD2 1 115 LEU MD1 . . 3.490 2.257 1.897 2.876 . 0 0 "[ . 1 . 2]" 1 540 1 36 HIS HD2 1 115 LEU QD . . 3.060 1.980 1.760 2.217 . 0 0 "[ . 1 . 2]" 1 541 1 36 HIS HD2 1 115 LEU MD2 . . 3.490 2.312 1.949 2.703 . 0 0 "[ . 1 . 2]" 1 542 1 36 HIS HD2 1 115 LEU HG . . 4.090 3.627 2.789 4.107 0.017 12 0 "[ . 1 . 2]" 1 543 1 36 HIS HE1 1 51 LYS HA . . 4.690 3.999 2.465 4.702 0.012 4 0 "[ . 1 . 2]" 1 544 1 36 HIS HE1 1 54 ASN HA . . 4.590 4.429 3.970 4.625 0.035 3 0 "[ . 1 . 2]" 1 545 1 36 HIS HE1 1 55 ASP H . . 3.710 2.832 2.388 3.692 . 0 0 "[ . 1 . 2]" 1 546 1 36 HIS HE1 1 55 ASP HA . . 5.010 4.030 3.815 4.536 . 0 0 "[ . 1 . 2]" 1 547 1 36 HIS HE1 1 56 PRO HA . . 4.190 2.932 2.655 3.245 . 0 0 "[ . 1 . 2]" 1 548 1 36 HIS HE1 1 56 PRO HB3 . . 4.770 4.545 4.275 4.769 . 0 0 "[ . 1 . 2]" 1 549 1 36 HIS HE1 1 56 PRO HD2 . . 5.100 5.127 4.923 5.202 0.102 12 0 "[ . 1 . 2]" 1 550 1 36 HIS HE1 1 56 PRO HD3 . . 5.100 4.321 4.070 4.443 . 0 0 "[ . 1 . 2]" 1 551 1 37 TYR HA 1 38 THR H . . 3.250 2.170 2.154 2.236 . 0 0 "[ . 1 . 2]" 1 552 1 37 TYR HA 1 112 VAL MG1 . . 4.650 4.009 3.508 4.382 . 0 0 "[ . 1 . 2]" 1 553 1 37 TYR HA 1 112 VAL MG2 . . 4.460 3.801 3.362 4.215 . 0 0 "[ . 1 . 2]" 1 554 1 37 TYR HA 1 113 GLU H . . 4.090 3.984 3.834 4.094 0.004 20 0 "[ . 1 . 2]" 1 555 1 37 TYR QB 1 38 THR H . . 3.950 3.090 2.859 3.156 . 0 0 "[ . 1 . 2]" 1 556 1 37 TYR QB 1 110 PHE QD . . 4.500 2.900 2.054 4.049 . 0 0 "[ . 1 . 2]" 1 557 1 37 TYR QB 1 112 VAL MG2 . . 4.820 3.799 3.319 4.431 . 0 0 "[ . 1 . 2]" 1 558 1 37 TYR HB2 1 38 THR H . . 4.750 3.180 2.916 3.258 . 0 0 "[ . 1 . 2]" 1 559 1 37 TYR HB3 1 38 THR H . . 4.750 4.212 4.110 4.252 . 0 0 "[ . 1 . 2]" 1 560 1 37 TYR QD 1 57 PHE HB2 . . 4.180 2.530 2.086 2.931 . 0 0 "[ . 1 . 2]" 1 561 1 37 TYR QD 1 57 PHE QB . . 3.620 2.378 2.010 2.726 . 0 0 "[ . 1 . 2]" 1 562 1 37 TYR QD 1 57 PHE HB3 . . 4.180 2.941 2.376 3.410 . 0 0 "[ . 1 . 2]" 1 563 1 37 TYR QD 1 57 PHE QD . . 4.450 3.404 2.794 3.991 . 0 0 "[ . 1 . 2]" 1 564 1 37 TYR QD 1 110 PHE QE . . 4.780 2.908 1.990 4.262 . 0 0 "[ . 1 . 2]" 1 565 1 37 TYR QE 1 48 ASP QB . . 4.860 4.178 3.479 4.862 0.002 4 0 "[ . 1 . 2]" 1 566 1 37 TYR QE 1 57 PHE QB . . 4.000 2.511 1.988 3.095 . 0 0 "[ . 1 . 2]" 1 567 1 37 TYR QE 1 70 TRP HH2 . . 4.880 3.324 2.927 3.933 . 0 0 "[ . 1 . 2]" 1 568 1 37 TYR QE 1 70 TRP HZ3 . . 5.500 4.684 4.086 5.491 . 0 0 "[ . 1 . 2]" 1 569 1 37 TYR QE 1 110 PHE QD . . 5.500 4.860 4.505 5.502 0.002 10 0 "[ . 1 . 2]" 1 570 1 38 THR H 1 38 THR HB . . 3.940 3.160 2.914 3.340 . 0 0 "[ . 1 . 2]" 1 571 1 38 THR H 1 38 THR MG . . 4.690 3.860 3.792 3.914 . 0 0 "[ . 1 . 2]" 1 572 1 38 THR H 1 110 PHE HB3 . . 3.830 3.804 3.485 3.881 0.051 3 0 "[ . 1 . 2]" 1 573 1 38 THR H 1 110 PHE QD . . 4.790 3.563 3.000 3.999 . 0 0 "[ . 1 . 2]" 1 574 1 38 THR H 1 111 GLU H . . 3.930 2.529 2.424 2.720 . 0 0 "[ . 1 . 2]" 1 575 1 38 THR H 1 111 GLU QB . . 4.570 2.996 2.715 3.306 . 0 0 "[ . 1 . 2]" 1 576 1 38 THR HA 1 38 THR MG . . 3.630 2.162 2.110 2.242 . 0 0 "[ . 1 . 2]" 1 577 1 38 THR HA 1 39 GLY H . . 3.340 2.191 2.152 2.302 . 0 0 "[ . 1 . 2]" 1 578 1 38 THR HA 1 49 SER HA . . 3.670 2.650 2.265 3.266 . 0 0 "[ . 1 . 2]" 1 579 1 38 THR HB 1 40 TRP HE3 . . 5.500 5.011 4.754 5.168 . 0 0 "[ . 1 . 2]" 1 580 1 38 THR HB 1 40 TRP HH2 . . 4.920 4.699 4.275 4.957 0.037 19 0 "[ . 1 . 2]" 1 581 1 38 THR HB 1 40 TRP HZ2 . . 4.380 3.346 3.079 3.727 . 0 0 "[ . 1 . 2]" 1 582 1 38 THR HB 1 40 TRP HZ3 . . 5.500 5.374 4.970 5.559 0.059 2 0 "[ . 1 . 2]" 1 583 1 38 THR HB 1 111 GLU H . . 4.680 2.942 2.583 3.194 . 0 0 "[ . 1 . 2]" 1 584 1 38 THR HB 1 111 GLU HB2 . . 4.660 3.077 2.487 3.547 . 0 0 "[ . 1 . 2]" 1 585 1 38 THR HB 1 111 GLU QB . . 4.100 2.377 1.967 2.840 . 0 0 "[ . 1 . 2]" 1 586 1 38 THR HB 1 111 GLU HB3 . . 4.660 2.520 2.016 3.156 . 0 0 "[ . 1 . 2]" 1 587 1 38 THR MG 1 39 GLY H . . 3.510 3.027 2.259 3.362 . 0 0 "[ . 1 . 2]" 1 588 1 38 THR MG 1 40 TRP HD1 . . 4.690 3.274 2.908 3.481 . 0 0 "[ . 1 . 2]" 1 589 1 38 THR MG 1 40 TRP HH2 . . 4.910 4.634 4.155 4.897 . 0 0 "[ . 1 . 2]" 1 590 1 38 THR MG 1 40 TRP HZ2 . . 4.840 2.619 2.128 2.896 . 0 0 "[ . 1 . 2]" 1 591 1 38 THR MG 1 46 LYS QD . . 3.610 2.670 1.924 3.492 . 0 0 "[ . 1 . 2]" 1 592 1 38 THR MG 1 46 LYS HE2 . . 5.270 3.926 2.158 5.152 . 0 0 "[ . 1 . 2]" 1 593 1 38 THR MG 1 46 LYS QE . . 4.490 3.333 1.902 4.500 0.010 19 0 "[ . 1 . 2]" 1 594 1 38 THR MG 1 46 LYS HE3 . . 5.270 3.858 1.922 5.280 0.010 15 0 "[ . 1 . 2]" 1 595 1 38 THR MG 1 47 PHE H . . 5.180 4.962 4.479 5.227 0.047 15 0 "[ . 1 . 2]" 1 596 1 38 THR MG 1 48 ASP H . . 4.670 4.250 3.943 4.682 0.012 5 0 "[ . 1 . 2]" 1 597 1 38 THR MG 1 49 SER HA . . 4.340 2.374 1.898 2.993 . 0 0 "[ . 1 . 2]" 1 598 1 38 THR MG 1 49 SER HB2 . . 4.140 2.982 1.925 3.914 . 0 0 "[ . 1 . 2]" 1 599 1 38 THR MG 1 49 SER QB . . 3.530 2.511 1.834 3.243 . 0 0 "[ . 1 . 2]" 1 600 1 38 THR MG 1 49 SER HB3 . . 4.140 2.923 1.945 3.914 . 0 0 "[ . 1 . 2]" 1 601 1 38 THR MG 1 111 GLU H . . 5.090 4.430 4.139 4.631 . 0 0 "[ . 1 . 2]" 1 602 1 39 GLY H 1 48 ASP H . . 4.110 3.946 3.367 4.137 0.027 11 0 "[ . 1 . 2]" 1 603 1 39 GLY H 1 49 SER HA . . 4.520 3.380 2.722 3.739 . 0 0 "[ . 1 . 2]" 1 604 1 39 GLY HA2 1 40 TRP H . . 3.520 2.164 2.149 2.175 . 0 0 "[ . 1 . 2]" 1 605 1 39 GLY HA2 1 110 PHE HA . . 3.970 2.766 2.523 3.127 . 0 0 "[ . 1 . 2]" 1 606 1 39 GLY HA2 1 111 GLU H . . 4.920 4.063 3.862 4.357 . 0 0 "[ . 1 . 2]" 1 607 1 39 GLY HA3 1 40 TRP HA . . 5.110 4.515 4.500 4.524 . 0 0 "[ . 1 . 2]" 1 608 1 39 GLY HA3 1 47 PHE QD . . 4.770 4.087 3.703 4.420 . 0 0 "[ . 1 . 2]" 1 609 1 39 GLY HA3 1 47 PHE QE . . 4.860 3.352 2.836 3.892 . 0 0 "[ . 1 . 2]" 1 610 1 39 GLY HA3 1 47 PHE HZ . . 4.420 3.834 3.296 4.301 . 0 0 "[ . 1 . 2]" 1 611 1 39 GLY HA3 1 110 PHE HA . . 4.770 4.497 4.272 4.801 0.031 19 0 "[ . 1 . 2]" 1 612 1 39 GLY HA3 1 110 PHE QD . . 4.540 3.878 3.332 4.236 . 0 0 "[ . 1 . 2]" 1 613 1 39 GLY HA3 1 110 PHE HZ . . 4.890 3.843 3.307 4.896 0.006 16 0 "[ . 1 . 2]" 1 614 1 40 TRP H 1 40 TRP HB2 . . 4.050 2.589 2.496 2.714 . 0 0 "[ . 1 . 2]" 1 615 1 40 TRP H 1 109 VAL H . . 4.300 4.089 3.954 4.182 . 0 0 "[ . 1 . 2]" 1 616 1 40 TRP H 1 109 VAL HB . . 5.010 3.627 3.073 5.171 0.161 19 0 "[ . 1 . 2]" 1 617 1 40 TRP H 1 109 VAL QG . . 4.210 3.868 3.233 4.219 0.009 6 0 "[ . 1 . 2]" 1 618 1 40 TRP H 1 110 PHE HA . . 4.240 2.539 2.348 2.687 . 0 0 "[ . 1 . 2]" 1 619 1 40 TRP H 1 110 PHE HB3 . . 5.120 4.959 4.829 5.117 . 0 0 "[ . 1 . 2]" 1 620 1 40 TRP H 1 110 PHE QD . . 4.040 3.973 3.539 4.095 0.055 3 0 "[ . 1 . 2]" 1 621 1 40 TRP H 1 111 GLU H . . 5.060 4.003 3.786 4.213 . 0 0 "[ . 1 . 2]" 1 622 1 40 TRP HA 1 40 TRP HD1 . . 3.950 2.207 2.085 2.342 . 0 0 "[ . 1 . 2]" 1 623 1 40 TRP HA 1 41 LEU H . . 3.390 2.348 2.260 2.473 . 0 0 "[ . 1 . 2]" 1 624 1 40 TRP HA 1 41 LEU QB . . 5.340 4.199 4.000 4.389 . 0 0 "[ . 1 . 2]" 1 625 1 40 TRP HA 1 46 LYS HA . . 3.500 2.140 1.934 2.514 . 0 0 "[ . 1 . 2]" 1 626 1 40 TRP HA 1 46 LYS QB . . 4.500 3.827 3.039 4.425 . 0 0 "[ . 1 . 2]" 1 627 1 40 TRP HA 1 46 LYS QG . . 4.540 3.833 3.412 4.856 0.316 19 0 "[ . 1 . 2]" 1 628 1 40 TRP HA 1 47 PHE H . . 3.840 3.001 2.618 3.336 . 0 0 "[ . 1 . 2]" 1 629 1 40 TRP HA 1 47 PHE QD . . 4.220 2.913 2.528 3.743 . 0 0 "[ . 1 . 2]" 1 630 1 40 TRP HA 1 47 PHE QE . . 4.730 3.562 3.092 4.003 . 0 0 "[ . 1 . 2]" 1 631 1 40 TRP HA 1 48 ASP H . . 5.030 4.536 4.024 5.038 0.008 1 0 "[ . 1 . 2]" 1 632 1 40 TRP HB2 1 40 TRP HE3 . . 3.890 2.689 2.548 2.804 . 0 0 "[ . 1 . 2]" 1 633 1 40 TRP HB2 1 41 LEU H . . 4.950 3.739 3.372 3.957 . 0 0 "[ . 1 . 2]" 1 634 1 40 TRP HB2 1 109 VAL HB . . 4.330 2.542 2.130 3.695 . 0 0 "[ . 1 . 2]" 1 635 1 40 TRP HB2 1 109 VAL QG . . 4.160 2.798 1.860 3.272 . 0 0 "[ . 1 . 2]" 1 636 1 40 TRP HB2 1 110 PHE HA . . 4.750 3.813 3.234 4.239 . 0 0 "[ . 1 . 2]" 1 637 1 40 TRP HB2 1 111 GLU H . . 5.020 4.536 4.068 5.026 0.006 5 0 "[ . 1 . 2]" 1 638 1 40 TRP HB3 1 41 LEU H . . 3.860 2.588 2.332 2.817 . 0 0 "[ . 1 . 2]" 1 639 1 40 TRP HB3 1 109 VAL HB . . 4.460 3.557 3.093 4.614 0.154 1 0 "[ . 1 . 2]" 1 640 1 40 TRP HB3 1 109 VAL QG . . 4.610 3.566 2.186 4.305 . 0 0 "[ . 1 . 2]" 1 641 1 40 TRP HD1 1 41 LEU H . . 4.730 4.319 4.129 4.484 . 0 0 "[ . 1 . 2]" 1 642 1 40 TRP HD1 1 46 LYS H . . 4.680 4.629 4.245 4.742 0.062 7 0 "[ . 1 . 2]" 1 643 1 40 TRP HD1 1 46 LYS HA . . 3.690 2.180 1.960 2.635 . 0 0 "[ . 1 . 2]" 1 644 1 40 TRP HD1 1 46 LYS HB2 . . 4.330 2.647 1.927 3.387 . 0 0 "[ . 1 . 2]" 1 645 1 40 TRP HD1 1 46 LYS QB . . 3.630 2.602 1.895 3.273 . 0 0 "[ . 1 . 2]" 1 646 1 40 TRP HD1 1 46 LYS HB3 . . 4.330 3.884 2.439 4.342 0.012 9 0 "[ . 1 . 2]" 1 647 1 40 TRP HE3 1 84 ARG QB . . 4.440 3.129 2.514 4.039 . 0 0 "[ . 1 . 2]" 1 648 1 40 TRP HE3 1 84 ARG QD . . 4.050 2.738 1.907 4.028 . 0 0 "[ . 1 . 2]" 1 649 1 40 TRP HE3 1 84 ARG QG . . 4.540 3.635 2.108 4.566 0.026 15 0 "[ . 1 . 2]" 1 650 1 40 TRP HE3 1 109 VAL HB . . 4.820 4.152 3.875 4.393 . 0 0 "[ . 1 . 2]" 1 651 1 40 TRP HE3 1 109 VAL QG . . 3.500 3.059 2.495 3.516 0.016 9 0 "[ . 1 . 2]" 1 652 1 40 TRP HH2 1 111 GLU HB2 . . 4.280 3.302 3.140 3.569 . 0 0 "[ . 1 . 2]" 1 653 1 40 TRP HH2 1 111 GLU QB . . 3.540 3.121 2.941 3.326 . 0 0 "[ . 1 . 2]" 1 654 1 40 TRP HH2 1 111 GLU HB3 . . 4.280 3.875 3.547 4.231 . 0 0 "[ . 1 . 2]" 1 655 1 40 TRP HH2 1 111 GLU HG2 . . 4.500 3.958 2.985 4.276 . 0 0 "[ . 1 . 2]" 1 656 1 40 TRP HH2 1 111 GLU QG . . 3.720 2.379 2.126 2.908 . 0 0 "[ . 1 . 2]" 1 657 1 40 TRP HH2 1 111 GLU HG3 . . 4.500 2.401 2.136 2.960 . 0 0 "[ . 1 . 2]" 1 658 1 40 TRP HZ2 1 111 GLU H . . 5.500 5.612 5.535 5.686 0.186 8 0 "[ . 1 . 2]" 1 659 1 40 TRP HZ2 1 111 GLU HB2 . . 4.400 3.875 3.587 4.249 . 0 0 "[ . 1 . 2]" 1 660 1 40 TRP HZ2 1 111 GLU QB . . 3.870 3.432 3.300 3.582 . 0 0 "[ . 1 . 2]" 1 661 1 40 TRP HZ2 1 111 GLU HB3 . . 4.400 3.850 3.624 4.095 . 0 0 "[ . 1 . 2]" 1 662 1 40 TRP HZ3 1 84 ARG QB . . 4.500 2.272 1.948 2.774 . 0 0 "[ . 1 . 2]" 1 663 1 41 LEU H 1 41 LEU HB2 . . 3.730 2.256 2.113 2.412 . 0 0 "[ . 1 . 2]" 1 664 1 41 LEU H 1 41 LEU HB3 . . 3.730 3.454 2.776 3.605 . 0 0 "[ . 1 . 2]" 1 665 1 41 LEU H 1 41 LEU HG . . 4.720 3.927 3.155 4.541 . 0 0 "[ . 1 . 2]" 1 666 1 41 LEU H 1 45 GLN H . . 4.260 3.298 2.923 3.949 . 0 0 "[ . 1 . 2]" 1 667 1 41 LEU H 1 45 GLN QB . . 5.110 4.191 3.242 4.938 . 0 0 "[ . 1 . 2]" 1 668 1 41 LEU H 1 45 GLN QG . . 4.860 4.025 3.257 4.945 0.085 14 0 "[ . 1 . 2]" 1 669 1 41 LEU H 1 46 LYS HA . . 4.450 3.377 2.789 3.870 . 0 0 "[ . 1 . 2]" 1 670 1 41 LEU H 1 47 PHE QD . . 4.870 3.551 2.892 3.937 . 0 0 "[ . 1 . 2]" 1 671 1 41 LEU HA 1 41 LEU QD . . 3.600 2.519 1.963 2.951 . 0 0 "[ . 1 . 2]" 1 672 1 41 LEU HA 1 41 LEU HG . . 4.000 2.707 2.159 3.697 . 0 0 "[ . 1 . 2]" 1 673 1 41 LEU HA 1 42 THR H . . 3.360 2.400 2.299 2.539 . 0 0 "[ . 1 . 2]" 1 674 1 41 LEU HA 1 42 THR MG . . 4.280 3.618 3.436 4.207 . 0 0 "[ . 1 . 2]" 1 675 1 41 LEU HA 1 43 ASP H . . 4.900 3.995 3.909 4.370 . 0 0 "[ . 1 . 2]" 1 676 1 41 LEU HA 1 47 PHE QD . . 4.680 4.257 3.507 4.686 0.006 15 0 "[ . 1 . 2]" 1 677 1 41 LEU QB 1 42 THR H . . 3.590 2.517 2.104 3.237 . 0 0 "[ . 1 . 2]" 1 678 1 41 LEU QB 1 45 GLN H . . 3.770 2.528 2.132 3.118 . 0 0 "[ . 1 . 2]" 1 679 1 41 LEU HB2 1 42 THR H . . 4.210 3.872 3.494 4.067 . 0 0 "[ . 1 . 2]" 1 680 1 41 LEU HB2 1 43 ASP H . . 4.030 3.360 2.837 4.060 0.030 10 0 "[ . 1 . 2]" 1 681 1 41 LEU HB2 1 45 GLN H . . 4.310 2.665 2.180 3.433 . 0 0 "[ . 1 . 2]" 1 682 1 41 LEU HB3 1 42 THR H . . 4.210 2.555 2.120 3.405 . 0 0 "[ . 1 . 2]" 1 683 1 41 LEU HB3 1 43 ASP H . . 4.030 2.263 2.043 2.480 . 0 0 "[ . 1 . 2]" 1 684 1 41 LEU HB3 1 45 GLN H . . 4.310 3.484 2.250 4.207 . 0 0 "[ . 1 . 2]" 1 685 1 41 LEU QD 1 42 THR H . . 4.030 2.986 1.999 3.815 . 0 0 "[ . 1 . 2]" 1 686 1 41 LEU QD 1 43 ASP H . . 4.800 3.496 2.544 4.029 . 0 0 "[ . 1 . 2]" 1 687 1 41 LEU QD 1 45 GLN H . . 4.660 3.724 3.326 4.224 . 0 0 "[ . 1 . 2]" 1 688 1 41 LEU QD 1 45 GLN QB . . 3.680 2.934 1.856 3.735 0.055 20 0 "[ . 1 . 2]" 1 689 1 41 LEU QD 1 45 GLN QE . . 3.940 3.074 2.182 3.945 0.005 7 0 "[ . 1 . 2]" 1 690 1 41 LEU QD 1 45 GLN QG . . 3.850 2.542 1.840 3.890 0.040 8 0 "[ . 1 . 2]" 1 691 1 41 LEU QD 1 47 PHE HA . . 5.410 4.438 3.805 5.413 0.003 10 0 "[ . 1 . 2]" 1 692 1 41 LEU QD 1 47 PHE QB . . 3.540 2.486 1.890 3.527 . 0 0 "[ . 1 . 2]" 1 693 1 41 LEU QD 1 47 PHE QD . . 3.640 2.222 1.889 3.291 . 0 0 "[ . 1 . 2]" 1 694 1 41 LEU QD 1 47 PHE QE . . 4.530 3.019 2.138 3.469 . 0 0 "[ . 1 . 2]" 1 695 1 41 LEU QD 1 47 PHE HZ . . 4.680 4.260 3.582 4.682 0.002 18 0 "[ . 1 . 2]" 1 696 1 41 LEU MD1 1 42 THR H . . 4.710 3.976 2.003 4.729 0.019 15 0 "[ . 1 . 2]" 1 697 1 41 LEU MD1 1 47 PHE QD . . 4.780 2.744 1.898 4.569 . 0 0 "[ . 1 . 2]" 1 698 1 41 LEU MD2 1 42 THR H . . 4.710 3.525 2.282 4.530 . 0 0 "[ . 1 . 2]" 1 699 1 41 LEU MD2 1 47 PHE QD . . 4.780 3.683 1.896 4.713 . 0 0 "[ . 1 . 2]" 1 700 1 41 LEU HG 1 42 THR H . . 4.500 3.846 1.981 4.504 0.004 18 0 "[ . 1 . 2]" 1 701 1 41 LEU HG 1 43 ASP H . . 5.500 4.676 2.791 5.182 . 0 0 "[ . 1 . 2]" 1 702 1 41 LEU HG 1 47 PHE QD . . 4.600 3.816 2.369 4.622 0.022 7 0 "[ . 1 . 2]" 1 703 1 42 THR H 1 42 THR MG . . 3.390 2.023 1.905 2.697 . 0 0 "[ . 1 . 2]" 1 704 1 42 THR H 1 43 ASP H . . 3.830 2.647 2.545 2.717 . 0 0 "[ . 1 . 2]" 1 705 1 42 THR H 1 109 VAL QG . . 5.210 2.941 2.549 3.980 . 0 0 "[ . 1 . 2]" 1 706 1 42 THR HA 1 42 THR MG . . 3.200 2.434 2.206 2.524 . 0 0 "[ . 1 . 2]" 1 707 1 42 THR HA 1 44 GLY H . . 4.250 3.941 3.775 4.155 . 0 0 "[ . 1 . 2]" 1 708 1 42 THR HA 1 109 VAL MG1 . . 4.470 3.873 2.771 4.222 . 0 0 "[ . 1 . 2]" 1 709 1 42 THR HA 1 109 VAL QG . . 3.700 2.097 1.904 2.931 . 0 0 "[ . 1 . 2]" 1 710 1 42 THR HA 1 109 VAL MG2 . . 4.470 2.159 1.907 3.466 . 0 0 "[ . 1 . 2]" 1 711 1 42 THR HB 1 43 ASP H . . 4.910 4.182 3.680 4.401 . 0 0 "[ . 1 . 2]" 1 712 1 42 THR HB 1 107 THR HB . . 5.150 4.212 3.898 4.719 . 0 0 "[ . 1 . 2]" 1 713 1 42 THR HB 1 107 THR MG . . 5.500 4.608 3.986 5.244 . 0 0 "[ . 1 . 2]" 1 714 1 42 THR HB 1 109 VAL MG1 . . 5.500 5.488 4.802 5.580 0.080 8 0 "[ . 1 . 2]" 1 715 1 42 THR HB 1 109 VAL MG2 . . 5.500 3.786 3.386 5.521 0.021 1 0 "[ . 1 . 2]" 1 716 1 42 THR MG 1 107 THR H . . 3.770 3.038 2.555 3.767 . 0 0 "[ . 1 . 2]" 1 717 1 42 THR MG 1 107 THR HB . . 3.430 2.080 1.882 2.697 . 0 0 "[ . 1 . 2]" 1 718 1 42 THR MG 1 107 THR MG . . 3.290 2.707 1.971 3.241 . 0 0 "[ . 1 . 2]" 1 719 1 42 THR MG 1 108 LEU H . . 4.670 4.150 3.763 4.540 . 0 0 "[ . 1 . 2]" 1 720 1 42 THR MG 1 108 LEU HA . . 4.130 3.330 2.893 3.746 . 0 0 "[ . 1 . 2]" 1 721 1 42 THR MG 1 109 VAL H . . 4.680 3.674 3.362 4.263 . 0 0 "[ . 1 . 2]" 1 722 1 42 THR MG 1 109 VAL QG . . 3.550 2.332 2.006 3.433 . 0 0 "[ . 1 . 2]" 1 723 1 43 ASP H 1 43 ASP HB2 . . 4.170 2.598 2.261 3.642 . 0 0 "[ . 1 . 2]" 1 724 1 43 ASP H 1 43 ASP QB . . 3.590 2.425 2.204 2.906 . 0 0 "[ . 1 . 2]" 1 725 1 43 ASP H 1 43 ASP HB3 . . 4.170 3.372 2.538 3.657 . 0 0 "[ . 1 . 2]" 1 726 1 43 ASP H 1 44 GLY H . . 3.470 2.297 2.130 2.472 . 0 0 "[ . 1 . 2]" 1 727 1 43 ASP H 1 45 GLN H . . 4.500 3.514 3.306 3.872 . 0 0 "[ . 1 . 2]" 1 728 1 44 GLY H 1 45 GLN H . . 3.390 2.153 2.020 2.425 . 0 0 "[ . 1 . 2]" 1 729 1 45 GLN H 1 45 GLN HB2 . . 3.650 3.159 2.287 3.701 0.051 11 0 "[ . 1 . 2]" 1 730 1 45 GLN H 1 45 GLN QB . . 3.000 2.466 2.143 2.792 . 0 0 "[ . 1 . 2]" 1 731 1 45 GLN H 1 45 GLN HB3 . . 3.650 2.882 2.179 3.621 . 0 0 "[ . 1 . 2]" 1 732 1 45 GLN H 1 45 GLN QG . . 3.520 2.545 1.925 3.724 0.204 13 0 "[ . 1 . 2]" 1 733 1 45 GLN H 1 46 LYS H . . 4.770 4.522 4.420 4.635 . 0 0 "[ . 1 . 2]" 1 734 1 45 GLN HA 1 46 LYS H . . 2.900 2.189 2.138 2.260 . 0 0 "[ . 1 . 2]" 1 735 1 45 GLN QB 1 45 GLN QE . . 3.830 2.628 1.936 3.706 . 0 0 "[ . 1 . 2]" 1 736 1 45 GLN HB2 1 46 LYS H . . 4.600 3.593 2.910 4.382 . 0 0 "[ . 1 . 2]" 1 737 1 45 GLN HB3 1 46 LYS H . . 4.600 3.871 2.823 4.490 . 0 0 "[ . 1 . 2]" 1 738 1 45 GLN QE 1 45 GLN QG . . 3.090 2.319 2.070 2.576 . 0 0 "[ . 1 . 2]" 1 739 1 45 GLN HG2 1 46 LYS H . . 4.780 4.604 3.996 4.822 0.042 20 0 "[ . 1 . 2]" 1 740 1 45 GLN HG3 1 46 LYS H . . 4.780 4.133 2.799 4.837 0.057 12 0 "[ . 1 . 2]" 1 741 1 46 LYS H 1 46 LYS HB2 . . 3.410 2.905 2.608 3.671 0.261 15 0 "[ . 1 . 2]" 1 742 1 46 LYS H 1 46 LYS HB3 . . 3.410 2.434 2.331 2.716 . 0 0 "[ . 1 . 2]" 1 743 1 46 LYS H 1 46 LYS QD . . 4.840 4.463 3.298 4.756 . 0 0 "[ . 1 . 2]" 1 744 1 46 LYS H 1 46 LYS QG . . 4.310 3.816 2.179 4.059 . 0 0 "[ . 1 . 2]" 1 745 1 46 LYS HA 1 46 LYS QG . . 3.320 2.596 2.289 3.338 0.018 15 0 "[ . 1 . 2]" 1 746 1 46 LYS HA 1 47 PHE H . . 3.310 2.207 2.147 2.343 . 0 0 "[ . 1 . 2]" 1 747 1 46 LYS HA 1 48 ASP H . . 4.120 3.706 3.538 3.931 . 0 0 "[ . 1 . 2]" 1 748 1 46 LYS QB 1 46 LYS QE . . 3.820 2.749 1.957 3.608 . 0 0 "[ . 1 . 2]" 1 749 1 46 LYS QD 1 49 SER HB2 . . 4.190 3.458 2.323 4.110 . 0 0 "[ . 1 . 2]" 1 750 1 46 LYS QD 1 49 SER QB . . 3.640 2.467 1.905 3.641 0.001 15 0 "[ . 1 . 2]" 1 751 1 46 LYS QD 1 49 SER HB3 . . 4.190 2.723 1.985 4.198 0.008 15 0 "[ . 1 . 2]" 1 752 1 46 LYS QE 1 49 SER QB . . 3.840 2.494 1.954 3.234 . 0 0 "[ . 1 . 2]" 1 753 1 46 LYS QG 1 47 PHE H . . 3.940 2.606 1.945 3.523 . 0 0 "[ . 1 . 2]" 1 754 1 46 LYS QG 1 47 PHE HA . . 4.830 3.562 3.325 4.040 . 0 0 "[ . 1 . 2]" 1 755 1 46 LYS QG 1 48 ASP H . . 3.520 2.283 1.882 3.396 . 0 0 "[ . 1 . 2]" 1 756 1 47 PHE H 1 47 PHE QD . . 4.030 2.326 1.947 3.123 . 0 0 "[ . 1 . 2]" 1 757 1 47 PHE H 1 48 ASP H . . 3.130 2.009 1.885 2.255 . 0 0 "[ . 1 . 2]" 1 758 1 47 PHE HA 1 47 PHE QD . . 4.330 3.712 3.683 3.725 . 0 0 "[ . 1 . 2]" 1 759 1 47 PHE QD 1 48 ASP H . . 4.250 3.771 2.919 4.164 . 0 0 "[ . 1 . 2]" 1 760 1 47 PHE QD 1 48 ASP QB . . 3.750 3.243 2.341 3.579 . 0 0 "[ . 1 . 2]" 1 761 1 47 PHE QE 1 102 ILE MD . . 4.880 4.606 4.145 4.902 0.022 6 0 "[ . 1 . 2]" 1 762 1 47 PHE QE 1 108 LEU MD2 . . 4.600 3.384 2.844 3.803 . 0 0 "[ . 1 . 2]" 1 763 1 47 PHE HZ 1 102 ILE MD . . 5.380 5.342 5.020 5.409 0.029 19 0 "[ . 1 . 2]" 1 764 1 47 PHE HZ 1 108 LEU HB3 . . 5.190 3.438 2.769 3.973 . 0 0 "[ . 1 . 2]" 1 765 1 47 PHE HZ 1 108 LEU MD1 . . 4.440 3.680 2.863 4.183 . 0 0 "[ . 1 . 2]" 1 766 1 47 PHE HZ 1 108 LEU MD2 . . 4.500 2.928 1.950 3.738 . 0 0 "[ . 1 . 2]" 1 767 1 47 PHE HZ 1 110 PHE QE . . 4.360 3.236 2.310 3.960 . 0 0 "[ . 1 . 2]" 1 768 1 49 SER HA 1 50 SER H . . 3.250 2.184 2.142 2.269 . 0 0 "[ . 1 . 2]" 1 769 1 49 SER QB 1 51 LYS H . . 4.350 2.701 2.201 3.973 . 0 0 "[ . 1 . 2]" 1 770 1 49 SER QB 1 51 LYS QB . . 3.960 3.105 2.421 3.974 0.014 19 0 "[ . 1 . 2]" 1 771 1 49 SER QB 1 51 LYS QD . . 5.000 3.344 2.006 4.753 . 0 0 "[ . 1 . 2]" 1 772 1 49 SER QB 1 52 ASP H . . 4.250 3.777 3.239 4.289 0.039 3 0 "[ . 1 . 2]" 1 773 1 49 SER HB2 1 50 SER H . . 4.700 3.498 2.935 4.395 . 0 0 "[ . 1 . 2]" 1 774 1 49 SER HB3 1 50 SER H . . 4.700 4.038 3.015 4.539 . 0 0 "[ . 1 . 2]" 1 775 1 50 SER H 1 51 LYS H . . 3.600 2.578 2.534 2.641 . 0 0 "[ . 1 . 2]" 1 776 1 51 LYS H 1 51 LYS HB2 . . 4.150 2.928 2.320 3.586 . 0 0 "[ . 1 . 2]" 1 777 1 51 LYS H 1 51 LYS HB3 . . 4.150 3.108 2.358 3.590 . 0 0 "[ . 1 . 2]" 1 778 1 51 LYS H 1 51 LYS QD . . 4.730 3.612 2.996 4.280 . 0 0 "[ . 1 . 2]" 1 779 1 51 LYS H 1 51 LYS HG2 . . 4.190 2.772 1.952 3.972 . 0 0 "[ . 1 . 2]" 1 780 1 51 LYS H 1 51 LYS QG . . 3.460 2.260 1.939 2.588 . 0 0 "[ . 1 . 2]" 1 781 1 51 LYS H 1 51 LYS HG3 . . 4.190 3.083 2.040 3.861 . 0 0 "[ . 1 . 2]" 1 782 1 51 LYS H 1 52 ASP H . . 3.640 2.688 2.645 2.708 . 0 0 "[ . 1 . 2]" 1 783 1 51 LYS HA 1 51 LYS QE . . 4.780 4.296 3.561 4.774 . 0 0 "[ . 1 . 2]" 1 784 1 51 LYS HA 1 51 LYS HG2 . . 4.040 3.091 2.343 3.812 . 0 0 "[ . 1 . 2]" 1 785 1 51 LYS HA 1 51 LYS QG . . 3.360 2.855 2.293 3.341 . 0 0 "[ . 1 . 2]" 1 786 1 51 LYS HA 1 51 LYS HG3 . . 4.040 3.471 2.513 3.944 . 0 0 "[ . 1 . 2]" 1 787 1 51 LYS HA 1 54 ASN H . . 4.040 2.844 2.656 3.146 . 0 0 "[ . 1 . 2]" 1 788 1 51 LYS HA 1 54 ASN HA . . 4.390 2.888 2.638 3.403 . 0 0 "[ . 1 . 2]" 1 789 1 51 LYS HA 1 54 ASN QD . . 4.830 3.877 3.118 4.686 . 0 0 "[ . 1 . 2]" 1 790 1 51 LYS HA 1 55 ASP H . . 4.710 3.734 2.924 4.295 . 0 0 "[ . 1 . 2]" 1 791 1 51 LYS QB 1 51 LYS QE . . 3.860 2.461 1.946 3.764 . 0 0 "[ . 1 . 2]" 1 792 1 51 LYS QB 1 52 ASP H . . 3.680 3.201 2.809 3.660 . 0 0 "[ . 1 . 2]" 1 793 1 51 LYS HB2 1 51 LYS QE . . 4.640 2.993 1.967 4.453 . 0 0 "[ . 1 . 2]" 1 794 1 51 LYS HB2 1 52 ASP H . . 4.230 3.450 2.893 4.133 . 0 0 "[ . 1 . 2]" 1 795 1 51 LYS HB3 1 51 LYS QE . . 4.640 2.871 2.025 4.060 . 0 0 "[ . 1 . 2]" 1 796 1 51 LYS HB3 1 52 ASP H . . 4.230 3.966 3.803 4.123 . 0 0 "[ . 1 . 2]" 1 797 1 52 ASP H 1 52 ASP HB2 . . 3.840 2.530 2.238 3.566 . 0 0 "[ . 1 . 2]" 1 798 1 52 ASP H 1 52 ASP QB . . 3.240 2.248 2.166 2.389 . 0 0 "[ . 1 . 2]" 1 799 1 52 ASP H 1 52 ASP HB3 . . 3.840 2.827 2.313 3.586 . 0 0 "[ . 1 . 2]" 1 800 1 52 ASP H 1 53 ARG H . . 3.840 2.770 2.630 2.831 . 0 0 "[ . 1 . 2]" 1 801 1 52 ASP QB 1 53 ARG H . . 3.920 2.809 2.521 3.474 . 0 0 "[ . 1 . 2]" 1 802 1 52 ASP HB2 1 53 ARG H . . 4.610 3.674 2.731 4.261 . 0 0 "[ . 1 . 2]" 1 803 1 52 ASP HB3 1 53 ARG H . . 4.610 3.079 2.558 3.850 . 0 0 "[ . 1 . 2]" 1 804 1 53 ARG H 1 53 ARG HB2 . . 4.050 2.826 2.302 3.693 . 0 0 "[ . 1 . 2]" 1 805 1 53 ARG H 1 53 ARG QB . . 3.550 2.483 2.210 3.068 . 0 0 "[ . 1 . 2]" 1 806 1 53 ARG H 1 53 ARG HB3 . . 4.050 2.859 2.555 3.720 . 0 0 "[ . 1 . 2]" 1 807 1 53 ARG H 1 53 ARG HG2 . . 5.380 4.045 2.082 4.786 . 0 0 "[ . 1 . 2]" 1 808 1 53 ARG H 1 53 ARG QG . . 4.650 3.580 2.070 4.152 . 0 0 "[ . 1 . 2]" 1 809 1 53 ARG H 1 53 ARG HG3 . . 5.380 4.119 2.443 4.594 . 0 0 "[ . 1 . 2]" 1 810 1 53 ARG H 1 54 ASN H . . 3.550 2.176 1.963 2.438 . 0 0 "[ . 1 . 2]" 1 811 1 53 ARG QB 1 55 ASP H . . 4.160 3.553 2.622 4.187 0.027 19 0 "[ . 1 . 2]" 1 812 1 53 ARG QB 1 55 ASP QB . . 3.750 3.218 2.643 3.757 0.007 12 0 "[ . 1 . 2]" 1 813 1 53 ARG QG 1 55 ASP H . . 4.960 4.147 2.202 4.958 . 0 0 "[ . 1 . 2]" 1 814 1 53 ARG QG 1 55 ASP QB . . 3.580 3.049 1.974 3.668 0.088 18 0 "[ . 1 . 2]" 1 815 1 54 ASN H 1 54 ASN QB . . 3.510 3.165 2.855 3.443 . 0 0 "[ . 1 . 2]" 1 816 1 54 ASN H 1 55 ASP H . . 3.800 2.821 2.595 2.992 . 0 0 "[ . 1 . 2]" 1 817 1 54 ASN HA 1 54 ASN QD . . 4.510 2.555 2.017 3.623 . 0 0 "[ . 1 . 2]" 1 818 1 54 ASN HA 1 55 ASP H . . 3.470 2.638 2.449 2.980 . 0 0 "[ . 1 . 2]" 1 819 1 54 ASN QB 1 54 ASN QD . . 3.100 2.320 2.099 2.511 . 0 0 "[ . 1 . 2]" 1 820 1 55 ASP H 1 55 ASP HB2 . . 3.790 3.522 2.381 3.904 0.114 12 0 "[ . 1 . 2]" 1 821 1 55 ASP H 1 55 ASP HB3 . . 3.790 3.093 2.442 3.717 . 0 0 "[ . 1 . 2]" 1 822 1 55 ASP H 1 56 PRO HD2 . . 5.090 4.685 4.223 4.815 . 0 0 "[ . 1 . 2]" 1 823 1 55 ASP H 1 56 PRO QD . . 4.450 4.059 3.391 4.329 . 0 0 "[ . 1 . 2]" 1 824 1 55 ASP H 1 56 PRO HD3 . . 5.090 4.463 3.572 4.906 . 0 0 "[ . 1 . 2]" 1 825 1 55 ASP HA 1 56 PRO HD2 . . 3.240 2.256 1.982 2.430 . 0 0 "[ . 1 . 2]" 1 826 1 55 ASP HA 1 56 PRO HD3 . . 3.240 2.346 2.258 2.803 . 0 0 "[ . 1 . 2]" 1 827 1 55 ASP HA 1 56 PRO HG2 . . 4.660 4.391 4.150 4.536 . 0 0 "[ . 1 . 2]" 1 828 1 55 ASP HA 1 56 PRO QG . . 4.080 3.929 3.843 4.019 . 0 0 "[ . 1 . 2]" 1 829 1 55 ASP HA 1 56 PRO HG3 . . 4.660 4.438 4.394 4.576 . 0 0 "[ . 1 . 2]" 1 830 1 55 ASP QB 1 56 PRO QD . . 3.930 2.926 2.003 3.790 . 0 0 "[ . 1 . 2]" 1 831 1 56 PRO HA 1 57 PHE H . . 3.230 2.221 2.181 2.554 . 0 0 "[ . 1 . 2]" 1 832 1 56 PRO HA 1 57 PHE QB . . 4.720 4.038 3.988 4.070 . 0 0 "[ . 1 . 2]" 1 833 1 56 PRO HA 1 115 LEU QD . . 4.430 3.040 2.470 3.584 . 0 0 "[ . 1 . 2]" 1 834 1 56 PRO HB2 1 57 PHE H . . 4.090 3.185 2.253 3.332 . 0 0 "[ . 1 . 2]" 1 835 1 56 PRO HB2 1 115 LEU QD . . 3.540 2.669 2.453 2.849 . 0 0 "[ . 1 . 2]" 1 836 1 56 PRO HB3 1 57 PHE H . . 3.960 3.782 3.283 3.868 . 0 0 "[ . 1 . 2]" 1 837 1 56 PRO HB3 1 115 LEU QD . . 3.040 1.887 1.734 2.082 . 0 0 "[ . 1 . 2]" 1 838 1 56 PRO QD 1 115 LEU QD . . 4.720 3.580 3.168 3.998 . 0 0 "[ . 1 . 2]" 1 839 1 56 PRO QG 1 57 PHE H . . 4.550 4.496 3.903 4.577 0.027 10 0 "[ . 1 . 2]" 1 840 1 56 PRO QG 1 115 LEU QD . . 3.890 2.886 2.304 3.268 . 0 0 "[ . 1 . 2]" 1 841 1 57 PHE H 1 57 PHE HB2 . . 3.760 2.490 2.305 2.951 . 0 0 "[ . 1 . 2]" 1 842 1 57 PHE H 1 57 PHE QB . . 3.260 2.301 2.213 2.506 . 0 0 "[ . 1 . 2]" 1 843 1 57 PHE H 1 57 PHE HB3 . . 3.760 2.736 2.627 2.856 . 0 0 "[ . 1 . 2]" 1 844 1 57 PHE H 1 57 PHE QD . . 5.090 4.155 4.014 4.326 . 0 0 "[ . 1 . 2]" 1 845 1 57 PHE H 1 58 ALA H . . 5.010 4.254 4.032 4.386 . 0 0 "[ . 1 . 2]" 1 846 1 57 PHE H 1 115 LEU QD . . 4.940 3.759 3.151 4.161 . 0 0 "[ . 1 . 2]" 1 847 1 57 PHE HA 1 57 PHE QD . . 4.110 2.263 2.015 2.752 . 0 0 "[ . 1 . 2]" 1 848 1 57 PHE HA 1 58 ALA H . . 2.950 2.174 2.142 2.183 . 0 0 "[ . 1 . 2]" 1 849 1 57 PHE HA 1 58 ALA MB . . 4.130 4.055 3.977 4.096 . 0 0 "[ . 1 . 2]" 1 850 1 57 PHE QB 1 58 ALA HA . . 5.320 4.538 4.429 4.660 . 0 0 "[ . 1 . 2]" 1 851 1 57 PHE QB 1 59 PHE QD . . 5.290 3.887 3.597 4.361 . 0 0 "[ . 1 . 2]" 1 852 1 57 PHE QD 1 58 ALA H . . 4.090 3.793 3.303 4.104 0.014 19 0 "[ . 1 . 2]" 1 853 1 57 PHE QD 1 66 VAL MG1 . . 4.900 4.553 4.128 4.909 0.009 16 0 "[ . 1 . 2]" 1 854 1 57 PHE QD 1 70 TRP HE3 . . 5.130 4.743 4.268 5.119 . 0 0 "[ . 1 . 2]" 1 855 1 57 PHE QD 1 70 TRP HH2 . . 4.780 4.285 3.349 4.730 . 0 0 "[ . 1 . 2]" 1 856 1 57 PHE QE 1 59 PHE QB . . 3.940 3.656 3.406 3.930 . 0 0 "[ . 1 . 2]" 1 857 1 57 PHE QE 1 70 TRP HE3 . . 4.510 4.069 3.465 4.513 0.003 2 0 "[ . 1 . 2]" 1 858 1 57 PHE QE 1 70 TRP HZ3 . . 3.940 2.624 2.201 3.002 . 0 0 "[ . 1 . 2]" 1 859 1 57 PHE HZ 1 66 VAL MG1 . . 4.730 4.336 2.920 4.736 0.006 9 0 "[ . 1 . 2]" 1 860 1 58 ALA H 1 58 ALA MB . . 3.140 2.327 2.184 2.459 . 0 0 "[ . 1 . 2]" 1 861 1 58 ALA HA 1 59 PHE H . . 2.980 2.165 2.141 2.227 . 0 0 "[ . 1 . 2]" 1 862 1 58 ALA HA 1 59 PHE QD . . 4.530 3.208 2.977 3.550 . 0 0 "[ . 1 . 2]" 1 863 1 58 ALA MB 1 59 PHE H . . 3.430 3.082 2.863 3.281 . 0 0 "[ . 1 . 2]" 1 864 1 58 ALA MB 1 59 PHE HA . . 5.270 3.930 3.800 4.006 . 0 0 "[ . 1 . 2]" 1 865 1 58 ALA MB 1 59 PHE QD . . 5.320 4.448 4.270 4.700 . 0 0 "[ . 1 . 2]" 1 866 1 59 PHE H 1 59 PHE QD . . 3.800 2.525 2.336 2.750 . 0 0 "[ . 1 . 2]" 1 867 1 59 PHE H 1 59 PHE QE . . 5.350 4.348 4.202 4.508 . 0 0 "[ . 1 . 2]" 1 868 1 59 PHE HA 1 60 VAL H . . 3.160 2.537 2.441 2.628 . 0 0 "[ . 1 . 2]" 1 869 1 59 PHE QB 1 60 VAL H . . 3.260 2.250 2.092 2.415 . 0 0 "[ . 1 . 2]" 1 870 1 59 PHE QB 1 66 VAL MG1 . . 4.570 4.570 4.382 4.622 0.052 2 0 "[ . 1 . 2]" 1 871 1 59 PHE HB2 1 60 VAL H . . 3.950 2.269 2.105 2.441 . 0 0 "[ . 1 . 2]" 1 872 1 59 PHE HB2 1 66 VAL MG1 . . 5.320 5.035 4.756 5.171 . 0 0 "[ . 1 . 2]" 1 873 1 59 PHE HB3 1 60 VAL H . . 3.950 3.734 3.622 3.849 . 0 0 "[ . 1 . 2]" 1 874 1 59 PHE HB3 1 66 VAL MG1 . . 5.320 5.243 5.119 5.332 0.012 4 0 "[ . 1 . 2]" 1 875 1 59 PHE QD 1 60 VAL H . . 4.250 2.923 2.637 3.186 . 0 0 "[ . 1 . 2]" 1 876 1 59 PHE QD 1 61 LEU HA . . 4.500 4.064 3.795 4.265 . 0 0 "[ . 1 . 2]" 1 877 1 59 PHE QD 1 66 VAL MG1 . . 3.860 3.785 3.538 3.878 0.018 19 0 "[ . 1 . 2]" 1 878 1 59 PHE QD 1 70 TRP HZ3 . . 5.500 5.269 4.569 5.516 0.016 10 0 "[ . 1 . 2]" 1 879 1 59 PHE QD 1 74 VAL QG . . 4.720 4.044 3.938 4.187 . 0 0 "[ . 1 . 2]" 1 880 1 59 PHE QE 1 61 LEU HA . . 4.880 3.014 2.638 3.317 . 0 0 "[ . 1 . 2]" 1 881 1 59 PHE QE 1 61 LEU QD . . 4.560 3.413 2.972 3.769 . 0 0 "[ . 1 . 2]" 1 882 1 59 PHE QE 1 70 TRP HE3 . . 4.960 4.377 3.931 4.648 . 0 0 "[ . 1 . 2]" 1 883 1 59 PHE QE 1 74 VAL HB . . 4.270 4.162 3.640 4.342 0.072 11 0 "[ . 1 . 2]" 1 884 1 59 PHE QE 1 74 VAL MG1 . . 3.980 2.920 2.711 3.250 . 0 0 "[ . 1 . 2]" 1 885 1 59 PHE QE 1 74 VAL QG . . 3.410 2.590 2.425 2.776 . 0 0 "[ . 1 . 2]" 1 886 1 59 PHE QE 1 74 VAL MG2 . . 3.980 2.929 2.554 3.083 . 0 0 "[ . 1 . 2]" 1 887 1 59 PHE HZ 1 61 LEU HA . . 4.240 4.099 3.710 4.246 0.006 7 0 "[ . 1 . 2]" 1 888 1 59 PHE HZ 1 61 LEU QD . . 4.100 3.523 3.025 3.845 . 0 0 "[ . 1 . 2]" 1 889 1 59 PHE HZ 1 66 VAL MG2 . . 4.050 3.935 3.096 4.072 0.022 16 0 "[ . 1 . 2]" 1 890 1 60 VAL H 1 60 VAL HB . . 3.280 2.593 2.443 2.836 . 0 0 "[ . 1 . 2]" 1 891 1 60 VAL H 1 60 VAL MG1 . . 4.080 3.238 1.919 3.807 . 0 0 "[ . 1 . 2]" 1 892 1 60 VAL H 1 60 VAL QG . . 3.120 2.301 1.914 2.576 . 0 0 "[ . 1 . 2]" 1 893 1 60 VAL H 1 60 VAL MG2 . . 4.080 2.883 2.344 3.834 . 0 0 "[ . 1 . 2]" 1 894 1 60 VAL HA 1 60 VAL MG1 . . 3.440 2.584 2.257 3.204 . 0 0 "[ . 1 . 2]" 1 895 1 60 VAL HA 1 60 VAL QG . . 2.980 2.136 2.042 2.316 . 0 0 "[ . 1 . 2]" 1 896 1 60 VAL HA 1 60 VAL MG2 . . 3.440 2.343 2.240 2.389 . 0 0 "[ . 1 . 2]" 1 897 1 60 VAL HA 1 61 LEU H . . 3.110 2.162 2.141 2.198 . 0 0 "[ . 1 . 2]" 1 898 1 60 VAL HB 1 63 GLY QA . . 4.910 4.239 3.241 4.928 0.018 18 0 "[ . 1 . 2]" 1 899 1 60 VAL QG 1 61 LEU H . . 3.410 2.444 2.072 2.736 . 0 0 "[ . 1 . 2]" 1 900 1 60 VAL QG 1 61 LEU HA . . 4.430 3.950 3.699 4.162 . 0 0 "[ . 1 . 2]" 1 901 1 60 VAL QG 1 63 GLY H . . 4.110 3.558 2.656 4.114 0.004 2 0 "[ . 1 . 2]" 1 902 1 60 VAL QG 1 63 GLY QA . . 3.680 3.043 2.125 3.733 0.053 13 0 "[ . 1 . 2]" 1 903 1 60 VAL MG1 1 61 LEU H . . 4.210 2.898 2.079 3.961 . 0 0 "[ . 1 . 2]" 1 904 1 60 VAL MG2 1 61 LEU H . . 4.210 3.548 2.189 4.120 . 0 0 "[ . 1 . 2]" 1 905 1 61 LEU H 1 61 LEU HB2 . . 3.430 2.612 2.474 2.845 . 0 0 "[ . 1 . 2]" 1 906 1 61 LEU H 1 61 LEU HB3 . . 3.460 2.434 2.271 2.558 . 0 0 "[ . 1 . 2]" 1 907 1 61 LEU H 1 61 LEU QD . . 4.430 3.671 3.614 3.734 . 0 0 "[ . 1 . 2]" 1 908 1 61 LEU H 1 61 LEU HG . . 4.470 4.438 4.269 4.525 0.055 20 0 "[ . 1 . 2]" 1 909 1 61 LEU H 1 63 GLY H . . 5.440 5.033 4.555 5.449 0.009 3 0 "[ . 1 . 2]" 1 910 1 61 LEU HA 1 61 LEU MD1 . . 4.190 1.988 1.933 2.080 . 0 0 "[ . 1 . 2]" 1 911 1 61 LEU HA 1 61 LEU QD . . 3.430 1.982 1.928 2.072 . 0 0 "[ . 1 . 2]" 1 912 1 61 LEU HA 1 61 LEU MD2 . . 4.190 3.842 3.786 3.928 . 0 0 "[ . 1 . 2]" 1 913 1 61 LEU HA 1 61 LEU HG . . 4.190 3.303 3.162 3.394 . 0 0 "[ . 1 . 2]" 1 914 1 61 LEU HA 1 62 GLY H . . 3.230 2.209 2.144 2.293 . 0 0 "[ . 1 . 2]" 1 915 1 61 LEU HA 1 62 GLY QA . . 5.130 3.962 3.906 4.006 . 0 0 "[ . 1 . 2]" 1 916 1 61 LEU HA 1 74 VAL QG . . 3.660 3.013 2.454 3.386 . 0 0 "[ . 1 . 2]" 1 917 1 61 LEU HB2 1 74 VAL QG . . 3.830 2.803 2.178 3.173 . 0 0 "[ . 1 . 2]" 1 918 1 61 LEU HB3 1 61 LEU QD . . 2.870 2.266 2.172 2.333 . 0 0 "[ . 1 . 2]" 1 919 1 61 LEU HB3 1 62 GLY QA . . 5.190 4.476 4.246 4.737 . 0 0 "[ . 1 . 2]" 1 920 1 61 LEU HB3 1 74 VAL QG . . 4.420 4.110 3.630 4.433 0.013 15 0 "[ . 1 . 2]" 1 921 1 61 LEU QD 1 62 GLY H . . 3.450 2.021 1.876 2.479 . 0 0 "[ . 1 . 2]" 1 922 1 61 LEU QD 1 62 GLY QA . . 4.070 3.113 2.842 3.327 . 0 0 "[ . 1 . 2]" 1 923 1 61 LEU QD 1 74 VAL H . . 4.310 3.899 3.631 4.143 . 0 0 "[ . 1 . 2]" 1 924 1 61 LEU QD 1 74 VAL HA . . 5.440 3.665 3.559 3.832 . 0 0 "[ . 1 . 2]" 1 925 1 61 LEU QD 1 74 VAL HB . . 3.760 2.408 1.891 3.771 0.011 19 0 "[ . 1 . 2]" 1 926 1 61 LEU QD 1 75 GLN H . . 3.470 2.839 2.700 3.008 . 0 0 "[ . 1 . 2]" 1 927 1 61 LEU QD 1 75 GLN HA . . 3.080 1.848 1.747 2.064 . 0 0 "[ . 1 . 2]" 1 928 1 61 LEU QD 1 75 GLN QE . . 5.270 3.433 2.407 4.558 . 0 0 "[ . 1 . 2]" 1 929 1 61 LEU QD 1 75 GLN QG . . 3.930 3.036 1.662 3.687 . 0 0 "[ . 1 . 2]" 1 930 1 61 LEU QD 1 76 GLY H . . 4.110 3.783 3.294 4.083 . 0 0 "[ . 1 . 2]" 1 931 1 61 LEU QD 1 77 MET H . . 5.440 4.773 4.482 4.976 . 0 0 "[ . 1 . 2]" 1 932 1 61 LEU MD1 1 62 GLY H . . 4.800 2.025 1.879 2.488 . 0 0 "[ . 1 . 2]" 1 933 1 61 LEU MD1 1 75 GLN H . . 4.100 2.932 2.766 3.093 . 0 0 "[ . 1 . 2]" 1 934 1 61 LEU MD1 1 75 GLN HA . . 3.900 2.552 2.038 3.044 . 0 0 "[ . 1 . 2]" 1 935 1 61 LEU MD1 1 76 GLY H . . 4.920 4.366 4.073 4.710 . 0 0 "[ . 1 . 2]" 1 936 1 61 LEU MD2 1 62 GLY H . . 4.800 4.279 3.973 4.749 . 0 0 "[ . 1 . 2]" 1 937 1 61 LEU MD2 1 75 GLN H . . 4.100 3.837 3.472 4.127 0.027 19 0 "[ . 1 . 2]" 1 938 1 61 LEU MD2 1 75 GLN HA . . 3.900 1.918 1.872 2.204 . 0 0 "[ . 1 . 2]" 1 939 1 61 LEU MD2 1 76 GLY H . . 4.920 4.164 3.480 4.476 . 0 0 "[ . 1 . 2]" 1 940 1 61 LEU HG 1 62 GLY H . . 4.410 3.016 2.435 3.662 . 0 0 "[ . 1 . 2]" 1 941 1 62 GLY H 1 63 GLY H . . 3.570 2.682 2.307 3.551 . 0 0 "[ . 1 . 2]" 1 942 1 62 GLY H 1 71 ASP HA . . 4.390 4.184 3.769 4.400 0.010 6 0 "[ . 1 . 2]" 1 943 1 62 GLY QA 1 71 ASP QB . . 4.370 4.163 3.453 4.393 0.023 11 0 "[ . 1 . 2]" 1 944 1 63 GLY H 1 64 GLY H . . 3.790 2.836 1.920 3.838 0.048 13 0 "[ . 1 . 2]" 1 945 1 64 GLY H 1 65 MET H . . 3.660 2.782 1.899 3.693 0.033 16 0 "[ . 1 . 2]" 1 946 1 64 GLY QA 1 66 VAL H . . 4.360 3.983 3.400 4.398 0.038 17 0 "[ . 1 . 2]" 1 947 1 65 MET H 1 65 MET QB . . 3.430 2.719 2.174 3.197 . 0 0 "[ . 1 . 2]" 1 948 1 65 MET H 1 65 MET HG2 . . 4.730 4.331 3.337 4.758 0.028 7 0 "[ . 1 . 2]" 1 949 1 65 MET H 1 65 MET QG . . 4.030 3.552 2.092 4.151 0.121 17 0 "[ . 1 . 2]" 1 950 1 65 MET H 1 65 MET HG3 . . 4.730 3.833 2.114 4.703 . 0 0 "[ . 1 . 2]" 1 951 1 65 MET H 1 66 VAL H . . 3.290 2.651 1.899 3.106 . 0 0 "[ . 1 . 2]" 1 952 1 65 MET H 1 66 VAL MG1 . . 4.860 3.128 2.450 3.953 . 0 0 "[ . 1 . 2]" 1 953 1 65 MET H 1 66 VAL MG2 . . 4.290 3.735 2.987 4.277 . 0 0 "[ . 1 . 2]" 1 954 1 65 MET QB 1 66 VAL H . . 4.240 3.649 2.821 4.047 . 0 0 "[ . 1 . 2]" 1 955 1 65 MET QB 1 66 VAL MG1 . . 4.160 3.486 2.746 4.101 . 0 0 "[ . 1 . 2]" 1 956 1 65 MET HB2 1 66 VAL MG1 . . 4.790 4.194 2.935 4.884 0.094 17 0 "[ . 1 . 2]" 1 957 1 65 MET HB3 1 66 VAL MG1 . . 4.790 3.947 2.785 4.788 . 0 0 "[ . 1 . 2]" 1 958 1 66 VAL H 1 66 VAL MG1 . . 3.540 2.616 2.269 2.900 . 0 0 "[ . 1 . 2]" 1 959 1 66 VAL H 1 66 VAL MG2 . . 3.100 2.146 2.022 2.340 . 0 0 "[ . 1 . 2]" 1 960 1 66 VAL HA 1 66 VAL MG1 . . 3.390 2.438 2.384 2.476 . 0 0 "[ . 1 . 2]" 1 961 1 66 VAL HA 1 67 ILE H . . 3.470 2.386 2.256 2.588 . 0 0 "[ . 1 . 2]" 1 962 1 66 VAL HA 1 67 ILE MG . . 4.820 3.819 3.500 4.081 . 0 0 "[ . 1 . 2]" 1 963 1 66 VAL HB 1 67 ILE H . . 3.240 2.491 2.081 2.790 . 0 0 "[ . 1 . 2]" 1 964 1 66 VAL HB 1 67 ILE MG . . 4.910 4.507 3.897 4.872 . 0 0 "[ . 1 . 2]" 1 965 1 66 VAL HB 1 70 TRP HB2 . . 4.410 2.261 2.144 2.349 . 0 0 "[ . 1 . 2]" 1 966 1 66 VAL HB 1 70 TRP HB3 . . 4.410 2.279 2.137 2.477 . 0 0 "[ . 1 . 2]" 1 967 1 66 VAL HB 1 70 TRP HE3 . . 4.190 2.543 2.192 2.973 . 0 0 "[ . 1 . 2]" 1 968 1 66 VAL HB 1 71 ASP H . . 4.940 4.058 3.782 4.307 . 0 0 "[ . 1 . 2]" 1 969 1 66 VAL MG1 1 70 TRP HB2 . . 4.180 3.832 3.610 3.979 . 0 0 "[ . 1 . 2]" 1 970 1 66 VAL MG1 1 70 TRP QB . . 3.550 2.967 2.804 3.071 . 0 0 "[ . 1 . 2]" 1 971 1 66 VAL MG1 1 70 TRP HB3 . . 4.180 3.090 2.917 3.204 . 0 0 "[ . 1 . 2]" 1 972 1 66 VAL MG1 1 70 TRP HE3 . . 3.790 2.000 1.926 2.094 . 0 0 "[ . 1 . 2]" 1 973 1 66 VAL MG2 1 67 ILE H . . 3.910 3.283 2.837 3.576 . 0 0 "[ . 1 . 2]" 1 974 1 66 VAL MG2 1 68 LYS HA . . 4.450 4.423 4.387 4.451 0.001 8 0 "[ . 1 . 2]" 1 975 1 66 VAL MG2 1 70 TRP HA . . 4.690 4.161 4.042 4.346 . 0 0 "[ . 1 . 2]" 1 976 1 66 VAL MG2 1 70 TRP HB2 . . 3.710 2.293 1.968 2.555 . 0 0 "[ . 1 . 2]" 1 977 1 66 VAL MG2 1 70 TRP QB . . 3.240 1.994 1.821 2.231 . 0 0 "[ . 1 . 2]" 1 978 1 66 VAL MG2 1 70 TRP HB3 . . 3.710 2.208 1.934 2.460 . 0 0 "[ . 1 . 2]" 1 979 1 66 VAL MG2 1 70 TRP HE3 . . 3.820 3.139 2.849 3.403 . 0 0 "[ . 1 . 2]" 1 980 1 66 VAL MG2 1 71 ASP H . . 3.480 2.202 1.984 2.408 . 0 0 "[ . 1 . 2]" 1 981 1 66 VAL MG2 1 71 ASP HA . . 4.550 2.909 2.746 3.153 . 0 0 "[ . 1 . 2]" 1 982 1 66 VAL MG2 1 71 ASP QB . . 4.790 2.680 2.204 3.310 . 0 0 "[ . 1 . 2]" 1 983 1 66 VAL MG2 1 73 GLY H . . 5.500 5.473 5.250 5.560 0.060 17 0 "[ . 1 . 2]" 1 984 1 67 ILE H 1 67 ILE MD . . 3.830 3.676 3.544 3.751 . 0 0 "[ . 1 . 2]" 1 985 1 67 ILE H 1 67 ILE HG12 . . 4.060 2.164 2.004 2.476 . 0 0 "[ . 1 . 2]" 1 986 1 67 ILE H 1 67 ILE QG . . 3.490 2.058 1.957 2.152 . 0 0 "[ . 1 . 2]" 1 987 1 67 ILE H 1 67 ILE HG13 . . 4.060 2.789 2.219 3.485 . 0 0 "[ . 1 . 2]" 1 988 1 67 ILE H 1 67 ILE MG . . 3.290 2.421 2.108 2.581 . 0 0 "[ . 1 . 2]" 1 989 1 67 ILE H 1 70 TRP QB . . 4.610 2.665 2.323 2.916 . 0 0 "[ . 1 . 2]" 1 990 1 67 ILE HA 1 67 ILE MD . . 4.350 4.147 4.041 4.183 . 0 0 "[ . 1 . 2]" 1 991 1 67 ILE HA 1 67 ILE QG . . 3.710 3.296 3.287 3.305 . 0 0 "[ . 1 . 2]" 1 992 1 67 ILE HA 1 67 ILE MG . . 3.280 2.274 2.127 2.407 . 0 0 "[ . 1 . 2]" 1 993 1 67 ILE HA 1 68 LYS H . . 3.130 2.348 2.315 2.400 . 0 0 "[ . 1 . 2]" 1 994 1 67 ILE HA 1 68 LYS HG2 . . 5.500 4.903 3.805 5.509 0.009 1 0 "[ . 1 . 2]" 1 995 1 67 ILE HA 1 68 LYS HG3 . . 5.500 4.576 3.948 5.421 . 0 0 "[ . 1 . 2]" 1 996 1 67 ILE HB 1 67 ILE MD . . 3.550 2.272 2.017 2.502 . 0 0 "[ . 1 . 2]" 1 997 1 67 ILE HB 1 68 LYS H . . 3.690 2.527 2.421 2.608 . 0 0 "[ . 1 . 2]" 1 998 1 67 ILE HB 1 68 LYS QG . . 5.340 4.480 3.964 4.875 . 0 0 "[ . 1 . 2]" 1 999 1 67 ILE HB 1 69 GLY H . . 4.290 3.062 2.897 3.353 . 0 0 "[ . 1 . 2]" 1 1000 1 67 ILE HB 1 91 LEU HB3 . . 5.500 5.055 4.787 5.309 . 0 0 "[ . 1 . 2]" 1 1001 1 67 ILE HB 1 92 GLY HA2 . . 4.130 2.074 1.984 2.302 . 0 0 "[ . 1 . 2]" 1 1002 1 67 ILE HB 1 92 GLY QA . . 3.600 2.061 1.971 2.288 . 0 0 "[ . 1 . 2]" 1 1003 1 67 ILE HB 1 92 GLY HA3 . . 4.130 3.573 3.369 3.956 . 0 0 "[ . 1 . 2]" 1 1004 1 67 ILE MD 1 67 ILE MG . . 3.050 2.267 1.907 2.672 . 0 0 "[ . 1 . 2]" 1 1005 1 67 ILE MD 1 68 LYS H . . 4.790 4.220 3.783 4.442 . 0 0 "[ . 1 . 2]" 1 1006 1 67 ILE MD 1 69 GLY H . . 4.370 3.132 2.480 3.476 . 0 0 "[ . 1 . 2]" 1 1007 1 67 ILE MD 1 70 TRP H . . 3.820 2.800 2.183 3.322 . 0 0 "[ . 1 . 2]" 1 1008 1 67 ILE MD 1 70 TRP HA . . 5.050 4.187 3.779 4.730 . 0 0 "[ . 1 . 2]" 1 1009 1 67 ILE MD 1 70 TRP HD1 . . 3.400 2.044 1.934 2.222 . 0 0 "[ . 1 . 2]" 1 1010 1 67 ILE MD 1 87 ILE MD . . 3.060 2.059 1.888 2.512 . 0 0 "[ . 1 . 2]" 1 1011 1 67 ILE MD 1 87 ILE QG . . 4.660 3.424 3.176 3.784 . 0 0 "[ . 1 . 2]" 1 1012 1 67 ILE MD 1 87 ILE MG . . 3.460 1.930 1.764 2.568 . 0 0 "[ . 1 . 2]" 1 1013 1 67 ILE MD 1 92 GLY H . . 5.000 4.407 4.134 4.749 . 0 0 "[ . 1 . 2]" 1 1014 1 67 ILE MD 1 92 GLY HA2 . . 4.130 2.282 1.963 2.591 . 0 0 "[ . 1 . 2]" 1 1015 1 67 ILE MD 1 92 GLY QA . . 3.460 2.066 1.863 2.297 . 0 0 "[ . 1 . 2]" 1 1016 1 67 ILE MD 1 92 GLY HA3 . . 4.130 2.435 1.975 2.876 . 0 0 "[ . 1 . 2]" 1 1017 1 67 ILE MD 1 93 TYR QD . . 5.220 4.108 3.522 4.822 . 0 0 "[ . 1 . 2]" 1 1018 1 67 ILE MD 1 93 TYR QE . . 4.990 4.401 3.897 4.974 . 0 0 "[ . 1 . 2]" 1 1019 1 67 ILE MD 1 108 LEU MD1 . . 4.220 4.081 3.887 4.253 0.033 19 0 "[ . 1 . 2]" 1 1020 1 67 ILE MD 1 110 PHE HB2 . . 5.500 4.827 4.064 5.180 . 0 0 "[ . 1 . 2]" 1 1021 1 67 ILE MD 1 110 PHE QD . . 4.800 4.225 3.520 4.647 . 0 0 "[ . 1 . 2]" 1 1022 1 67 ILE MD 1 110 PHE QE . . 4.680 4.149 3.247 4.688 0.008 7 0 "[ . 1 . 2]" 1 1023 1 67 ILE QG 1 69 GLY H . . 4.240 3.163 2.245 3.584 . 0 0 "[ . 1 . 2]" 1 1024 1 67 ILE QG 1 70 TRP H . . 3.550 1.904 1.843 1.931 . 0 0 "[ . 1 . 2]" 1 1025 1 67 ILE QG 1 70 TRP HD1 . . 3.980 2.373 2.103 2.622 . 0 0 "[ . 1 . 2]" 1 1026 1 67 ILE MG 1 68 LYS H . . 3.910 3.616 3.482 3.833 . 0 0 "[ . 1 . 2]" 1 1027 1 67 ILE MG 1 69 GLY H . . 5.300 4.554 4.478 4.657 . 0 0 "[ . 1 . 2]" 1 1028 1 67 ILE MG 1 70 TRP H . . 5.310 4.508 4.371 4.577 . 0 0 "[ . 1 . 2]" 1 1029 1 67 ILE MG 1 70 TRP QB . . 5.340 4.180 3.882 4.288 . 0 0 "[ . 1 . 2]" 1 1030 1 67 ILE MG 1 87 ILE MD . . 5.170 4.809 4.512 5.221 0.051 3 0 "[ . 1 . 2]" 1 1031 1 67 ILE MG 1 87 ILE MG . . 4.770 4.206 3.982 4.617 . 0 0 "[ . 1 . 2]" 1 1032 1 67 ILE MG 1 92 GLY H . . 5.250 4.871 4.368 5.267 0.017 7 0 "[ . 1 . 2]" 1 1033 1 67 ILE MG 1 92 GLY HA2 . . 4.350 2.490 1.997 2.849 . 0 0 "[ . 1 . 2]" 1 1034 1 67 ILE MG 1 92 GLY QA . . 3.520 2.429 1.977 2.724 . 0 0 "[ . 1 . 2]" 1 1035 1 67 ILE MG 1 92 GLY HA3 . . 4.350 3.427 3.167 3.771 . 0 0 "[ . 1 . 2]" 1 1036 1 67 ILE MG 1 93 TYR H . . 5.500 4.183 3.904 4.610 . 0 0 "[ . 1 . 2]" 1 1037 1 67 ILE MG 1 93 TYR HA . . 5.220 4.020 3.646 4.411 . 0 0 "[ . 1 . 2]" 1 1038 1 67 ILE MG 1 93 TYR QD . . 4.330 3.421 3.207 4.023 . 0 0 "[ . 1 . 2]" 1 1039 1 67 ILE MG 1 93 TYR QE . . 3.960 3.872 3.426 3.983 0.023 16 0 "[ . 1 . 2]" 1 1040 1 68 LYS H 1 68 LYS HB2 . . 3.930 2.472 2.255 2.715 . 0 0 "[ . 1 . 2]" 1 1041 1 68 LYS H 1 68 LYS QB . . 3.150 2.427 2.230 2.638 . 0 0 "[ . 1 . 2]" 1 1042 1 68 LYS H 1 68 LYS HB3 . . 3.930 3.577 3.535 3.597 . 0 0 "[ . 1 . 2]" 1 1043 1 68 LYS H 1 68 LYS QD . . 4.580 4.065 3.653 4.440 . 0 0 "[ . 1 . 2]" 1 1044 1 68 LYS H 1 68 LYS HG2 . . 4.110 3.055 1.955 3.614 . 0 0 "[ . 1 . 2]" 1 1045 1 68 LYS H 1 68 LYS QG . . 3.600 2.326 1.937 2.713 . 0 0 "[ . 1 . 2]" 1 1046 1 68 LYS H 1 68 LYS HG3 . . 4.110 2.594 2.036 3.315 . 0 0 "[ . 1 . 2]" 1 1047 1 68 LYS H 1 69 GLY H . . 4.120 2.972 2.952 2.985 . 0 0 "[ . 1 . 2]" 1 1048 1 68 LYS HA 1 68 LYS QD . . 4.380 3.711 2.452 4.151 . 0 0 "[ . 1 . 2]" 1 1049 1 68 LYS HA 1 68 LYS QG . . 3.150 2.357 2.164 2.712 . 0 0 "[ . 1 . 2]" 1 1050 1 68 LYS HA 1 71 ASP H . . 3.880 3.617 3.509 3.717 . 0 0 "[ . 1 . 2]" 1 1051 1 68 LYS HA 1 71 ASP HB2 . . 4.380 3.452 2.797 4.256 . 0 0 "[ . 1 . 2]" 1 1052 1 68 LYS HA 1 71 ASP QB . . 3.590 2.883 2.764 3.096 . 0 0 "[ . 1 . 2]" 1 1053 1 68 LYS HA 1 71 ASP HB3 . . 4.380 3.533 2.861 4.396 0.016 12 0 "[ . 1 . 2]" 1 1054 1 68 LYS HA 1 72 GLU H . . 4.890 3.979 3.775 4.115 . 0 0 "[ . 1 . 2]" 1 1055 1 68 LYS QB 1 69 GLY H . . 3.620 2.393 2.303 2.482 . 0 0 "[ . 1 . 2]" 1 1056 1 68 LYS QB 1 69 GLY QA . . 4.370 3.532 3.511 3.547 . 0 0 "[ . 1 . 2]" 1 1057 1 68 LYS QB 1 91 LEU QD . . 3.110 2.326 1.819 2.905 . 0 0 "[ . 1 . 2]" 1 1058 1 68 LYS HB2 1 69 GLY H . . 4.260 2.465 2.333 2.620 . 0 0 "[ . 1 . 2]" 1 1059 1 68 LYS HB3 1 69 GLY H . . 4.260 3.312 3.035 3.551 . 0 0 "[ . 1 . 2]" 1 1060 1 68 LYS QD 1 91 LEU QD . . 3.670 2.899 1.889 3.581 . 0 0 "[ . 1 . 2]" 1 1061 1 68 LYS QE 1 68 LYS QG . . 3.340 2.203 2.022 2.499 . 0 0 "[ . 1 . 2]" 1 1062 1 68 LYS QE 1 91 LEU QD . . 4.160 3.428 2.209 4.167 0.007 10 0 "[ . 1 . 2]" 1 1063 1 68 LYS QG 1 91 LEU HA . . 4.570 3.738 3.131 4.215 . 0 0 "[ . 1 . 2]" 1 1064 1 69 GLY H 1 70 TRP H . . 4.050 2.826 2.791 2.850 . 0 0 "[ . 1 . 2]" 1 1065 1 69 GLY H 1 87 ILE MD . . 4.740 4.248 3.634 4.631 . 0 0 "[ . 1 . 2]" 1 1066 1 69 GLY H 1 87 ILE MG . . 3.850 2.883 2.644 3.131 . 0 0 "[ . 1 . 2]" 1 1067 1 69 GLY H 1 91 LEU HA . . 4.510 4.247 4.010 4.397 . 0 0 "[ . 1 . 2]" 1 1068 1 69 GLY H 1 91 LEU HB2 . . 4.610 4.304 3.684 4.483 . 0 0 "[ . 1 . 2]" 1 1069 1 69 GLY H 1 91 LEU HB3 . . 4.620 2.776 2.560 2.903 . 0 0 "[ . 1 . 2]" 1 1070 1 69 GLY H 1 91 LEU QD . . 4.190 3.668 3.178 3.927 . 0 0 "[ . 1 . 2]" 1 1071 1 69 GLY QA 1 70 TRP HA . . 4.720 4.022 4.016 4.026 . 0 0 "[ . 1 . 2]" 1 1072 1 69 GLY QA 1 72 GLU H . . 4.650 3.643 3.542 3.761 . 0 0 "[ . 1 . 2]" 1 1073 1 69 GLY QA 1 72 GLU QB . . 4.940 2.792 2.669 2.898 . 0 0 "[ . 1 . 2]" 1 1074 1 69 GLY QA 1 87 ILE MD . . 3.650 2.633 1.963 3.058 . 0 0 "[ . 1 . 2]" 1 1075 1 69 GLY QA 1 87 ILE MG . . 3.060 1.928 1.880 2.062 . 0 0 "[ . 1 . 2]" 1 1076 1 69 GLY QA 1 91 LEU HB2 . . 4.260 4.090 3.562 4.298 0.038 3 0 "[ . 1 . 2]" 1 1077 1 69 GLY QA 1 91 LEU HB3 . . 3.990 3.090 2.795 3.278 . 0 0 "[ . 1 . 2]" 1 1078 1 69 GLY QA 1 91 LEU QD . . 4.760 3.350 2.783 4.026 . 0 0 "[ . 1 . 2]" 1 1079 1 69 GLY QA 1 91 LEU HG . . 5.340 4.717 3.876 5.367 0.027 14 0 "[ . 1 . 2]" 1 1080 1 69 GLY HA2 1 87 ILE MD . . 4.380 3.839 3.313 4.244 . 0 0 "[ . 1 . 2]" 1 1081 1 69 GLY HA2 1 87 ILE MG . . 3.730 3.254 2.977 3.425 . 0 0 "[ . 1 . 2]" 1 1082 1 69 GLY HA2 1 91 LEU HB3 . . 4.550 3.456 3.231 3.651 . 0 0 "[ . 1 . 2]" 1 1083 1 69 GLY HA3 1 87 ILE MD . . 4.380 2.685 1.977 3.137 . 0 0 "[ . 1 . 2]" 1 1084 1 69 GLY HA3 1 87 ILE MG . . 3.730 1.943 1.894 2.081 . 0 0 "[ . 1 . 2]" 1 1085 1 69 GLY HA3 1 91 LEU HB3 . . 4.550 3.485 3.058 3.731 . 0 0 "[ . 1 . 2]" 1 1086 1 70 TRP H 1 70 TRP HB2 . . 3.880 2.172 2.132 2.232 . 0 0 "[ . 1 . 2]" 1 1087 1 70 TRP H 1 70 TRP QB . . 3.300 2.151 2.113 2.209 . 0 0 "[ . 1 . 2]" 1 1088 1 70 TRP H 1 70 TRP HB3 . . 3.880 3.482 3.445 3.524 . 0 0 "[ . 1 . 2]" 1 1089 1 70 TRP H 1 70 TRP HD1 . . 4.460 2.766 2.534 2.949 . 0 0 "[ . 1 . 2]" 1 1090 1 70 TRP H 1 71 ASP H . . 3.270 2.754 2.687 2.829 . 0 0 "[ . 1 . 2]" 1 1091 1 70 TRP H 1 87 ILE MD . . 4.560 3.175 2.736 3.546 . 0 0 "[ . 1 . 2]" 1 1092 1 70 TRP H 1 87 ILE QG . . 4.970 4.168 3.836 4.549 . 0 0 "[ . 1 . 2]" 1 1093 1 70 TRP HA 1 70 TRP HD1 . . 3.850 2.831 2.627 3.055 . 0 0 "[ . 1 . 2]" 1 1094 1 70 TRP HA 1 70 TRP HE3 . . 5.020 4.524 4.312 4.715 . 0 0 "[ . 1 . 2]" 1 1095 1 70 TRP HA 1 73 GLY H . . 4.100 3.500 3.406 3.581 . 0 0 "[ . 1 . 2]" 1 1096 1 70 TRP HA 1 73 GLY QA . . 5.040 3.886 3.770 4.034 . 0 0 "[ . 1 . 2]" 1 1097 1 70 TRP HA 1 74 VAL H . . 4.380 3.899 3.726 4.110 . 0 0 "[ . 1 . 2]" 1 1098 1 70 TRP HA 1 74 VAL QG . . 4.130 3.550 3.343 4.138 0.008 14 0 "[ . 1 . 2]" 1 1099 1 70 TRP HA 1 87 ILE MD . . 5.010 2.877 2.682 3.346 . 0 0 "[ . 1 . 2]" 1 1100 1 70 TRP QB 1 71 ASP H . . 3.660 2.458 2.384 2.581 . 0 0 "[ . 1 . 2]" 1 1101 1 70 TRP HB2 1 70 TRP HE3 . . 4.170 3.669 3.520 3.808 . 0 0 "[ . 1 . 2]" 1 1102 1 70 TRP HB2 1 73 GLY H . . 5.500 5.557 5.470 5.609 0.109 17 0 "[ . 1 . 2]" 1 1103 1 70 TRP HB3 1 70 TRP HE3 . . 4.170 2.432 2.400 2.490 . 0 0 "[ . 1 . 2]" 1 1104 1 70 TRP HB3 1 73 GLY H . . 5.500 5.245 5.117 5.320 . 0 0 "[ . 1 . 2]" 1 1105 1 70 TRP HD1 1 87 ILE MD . . 3.360 1.971 1.874 2.370 . 0 0 "[ . 1 . 2]" 1 1106 1 70 TRP HZ2 1 110 PHE QD . . 4.080 3.057 2.438 3.773 . 0 0 "[ . 1 . 2]" 1 1107 1 70 TRP HZ2 1 110 PHE QE . . 4.500 3.013 2.337 3.933 . 0 0 "[ . 1 . 2]" 1 1108 1 71 ASP H 1 71 ASP HB2 . . 3.520 2.345 2.071 2.750 . 0 0 "[ . 1 . 2]" 1 1109 1 71 ASP H 1 71 ASP QB . . 2.990 2.185 2.051 2.248 . 0 0 "[ . 1 . 2]" 1 1110 1 71 ASP H 1 71 ASP HB3 . . 3.520 2.951 2.332 3.524 0.004 12 0 "[ . 1 . 2]" 1 1111 1 71 ASP H 1 72 GLU H . . 3.570 2.789 2.710 2.846 . 0 0 "[ . 1 . 2]" 1 1112 1 71 ASP QB 1 72 GLU H . . 3.540 2.570 2.415 2.689 . 0 0 "[ . 1 . 2]" 1 1113 1 71 ASP HB2 1 72 GLU H . . 4.090 3.426 2.700 4.043 . 0 0 "[ . 1 . 2]" 1 1114 1 71 ASP HB3 1 72 GLU H . . 4.090 2.787 2.452 3.282 . 0 0 "[ . 1 . 2]" 1 1115 1 72 GLU H 1 72 GLU HB2 . . 3.370 2.181 2.062 2.507 . 0 0 "[ . 1 . 2]" 1 1116 1 72 GLU H 1 72 GLU HB3 . . 3.370 3.026 2.546 3.314 . 0 0 "[ . 1 . 2]" 1 1117 1 72 GLU H 1 72 GLU HG2 . . 4.710 4.188 3.468 4.631 . 0 0 "[ . 1 . 2]" 1 1118 1 72 GLU H 1 72 GLU QG . . 4.120 3.682 3.299 4.060 . 0 0 "[ . 1 . 2]" 1 1119 1 72 GLU H 1 72 GLU HG3 . . 4.710 4.200 3.535 4.551 . 0 0 "[ . 1 . 2]" 1 1120 1 72 GLU H 1 73 GLY H . . 3.220 2.673 2.613 2.747 . 0 0 "[ . 1 . 2]" 1 1121 1 72 GLU HA 1 72 GLU HG2 . . 3.730 2.826 2.196 3.711 . 0 0 "[ . 1 . 2]" 1 1122 1 72 GLU HA 1 72 GLU QG . . 3.210 2.427 2.126 3.055 . 0 0 "[ . 1 . 2]" 1 1123 1 72 GLU HA 1 72 GLU HG3 . . 3.730 3.017 2.233 3.636 . 0 0 "[ . 1 . 2]" 1 1124 1 72 GLU HA 1 75 GLN H . . 4.700 3.741 3.532 3.892 . 0 0 "[ . 1 . 2]" 1 1125 1 72 GLU HA 1 75 GLN HE21 . . 4.090 3.336 2.153 4.096 0.006 4 0 "[ . 1 . 2]" 1 1126 1 72 GLU HA 1 75 GLN QE . . 3.500 3.031 2.126 3.540 0.040 6 0 "[ . 1 . 2]" 1 1127 1 72 GLU HA 1 75 GLN HE22 . . 4.090 3.573 3.253 3.919 . 0 0 "[ . 1 . 2]" 1 1128 1 72 GLU QB 1 73 GLY H . . 3.450 2.694 2.539 2.903 . 0 0 "[ . 1 . 2]" 1 1129 1 72 GLU HB2 1 73 GLY H . . 3.970 3.471 3.138 3.876 . 0 0 "[ . 1 . 2]" 1 1130 1 72 GLU HB3 1 73 GLY H . . 3.970 2.844 2.593 3.234 . 0 0 "[ . 1 . 2]" 1 1131 1 72 GLU QG 1 73 GLY H . . 5.310 4.311 3.704 4.620 . 0 0 "[ . 1 . 2]" 1 1132 1 73 GLY H 1 74 VAL H . . 3.750 2.588 2.489 2.724 . 0 0 "[ . 1 . 2]" 1 1133 1 73 GLY H 1 85 LEU MD1 . . 5.500 4.524 3.627 5.505 0.005 14 0 "[ . 1 . 2]" 1 1134 1 73 GLY H 1 85 LEU QD . . 4.450 4.044 3.565 4.419 . 0 0 "[ . 1 . 2]" 1 1135 1 73 GLY H 1 85 LEU MD2 . . 5.500 4.978 4.074 5.523 0.023 3 0 "[ . 1 . 2]" 1 1136 1 73 GLY H 1 87 ILE MD . . 4.780 4.732 4.448 4.819 0.039 18 0 "[ . 1 . 2]" 1 1137 1 73 GLY H 1 87 ILE QG . . 5.500 5.114 4.883 5.506 0.006 19 0 "[ . 1 . 2]" 1 1138 1 73 GLY QA 1 85 LEU MD1 . . 4.090 2.528 1.740 3.358 . 0 0 "[ . 1 . 2]" 1 1139 1 73 GLY QA 1 85 LEU QD . . 3.340 2.231 1.732 2.569 . 0 0 "[ . 1 . 2]" 1 1140 1 73 GLY QA 1 85 LEU MD2 . . 4.090 2.946 2.123 3.767 . 0 0 "[ . 1 . 2]" 1 1141 1 74 VAL H 1 74 VAL HB . . 3.140 2.598 2.531 2.700 . 0 0 "[ . 1 . 2]" 1 1142 1 74 VAL H 1 74 VAL MG1 . . 3.830 3.456 2.182 3.776 . 0 0 "[ . 1 . 2]" 1 1143 1 74 VAL H 1 74 VAL QG . . 3.090 2.172 2.030 2.249 . 0 0 "[ . 1 . 2]" 1 1144 1 74 VAL H 1 74 VAL MG2 . . 3.830 2.497 2.038 3.769 . 0 0 "[ . 1 . 2]" 1 1145 1 74 VAL H 1 75 GLN H . . 3.180 2.579 2.447 2.725 . 0 0 "[ . 1 . 2]" 1 1146 1 74 VAL H 1 85 LEU QD . . 4.690 4.544 3.918 4.732 0.042 14 0 "[ . 1 . 2]" 1 1147 1 74 VAL HA 1 74 VAL MG1 . . 3.500 2.532 2.294 3.190 . 0 0 "[ . 1 . 2]" 1 1148 1 74 VAL HA 1 74 VAL QG . . 3.000 2.153 2.097 2.313 . 0 0 "[ . 1 . 2]" 1 1149 1 74 VAL HA 1 74 VAL MG2 . . 3.500 2.385 2.286 2.452 . 0 0 "[ . 1 . 2]" 1 1150 1 74 VAL HA 1 77 MET H . . 3.970 3.447 3.096 3.656 . 0 0 "[ . 1 . 2]" 1 1151 1 74 VAL HA 1 77 MET QB . . 4.140 3.361 2.684 3.985 . 0 0 "[ . 1 . 2]" 1 1152 1 74 VAL HA 1 77 MET HG2 . . 4.190 2.907 1.974 4.027 . 0 0 "[ . 1 . 2]" 1 1153 1 74 VAL HA 1 77 MET QG . . 3.660 2.629 1.960 3.655 . 0 0 "[ . 1 . 2]" 1 1154 1 74 VAL HA 1 77 MET HG3 . . 4.190 3.534 1.992 4.191 0.001 13 0 "[ . 1 . 2]" 1 1155 1 74 VAL HA 1 85 LEU QD . . 5.240 4.973 4.285 5.317 0.077 17 0 "[ . 1 . 2]" 1 1156 1 74 VAL HB 1 75 GLN H . . 5.150 3.168 2.741 4.155 . 0 0 "[ . 1 . 2]" 1 1157 1 74 VAL QG 1 75 GLN HA . . 4.730 3.557 3.204 3.799 . 0 0 "[ . 1 . 2]" 1 1158 1 74 VAL QG 1 77 MET QG . . 4.940 3.421 2.593 4.189 . 0 0 "[ . 1 . 2]" 1 1159 1 74 VAL MG1 1 75 GLN H . . 4.210 3.430 2.084 3.854 . 0 0 "[ . 1 . 2]" 1 1160 1 74 VAL MG2 1 75 GLN H . . 4.210 3.870 3.770 3.949 . 0 0 "[ . 1 . 2]" 1 1161 1 75 GLN H 1 75 GLN HB2 . . 3.930 3.267 2.304 3.662 . 0 0 "[ . 1 . 2]" 1 1162 1 75 GLN H 1 75 GLN QB . . 3.210 2.472 2.277 2.622 . 0 0 "[ . 1 . 2]" 1 1163 1 75 GLN H 1 75 GLN HB3 . . 3.930 2.881 2.523 3.625 . 0 0 "[ . 1 . 2]" 1 1164 1 75 GLN H 1 75 GLN QG . . 3.230 2.342 2.000 2.761 . 0 0 "[ . 1 . 2]" 1 1165 1 75 GLN HA 1 75 GLN QG . . 3.700 3.052 2.377 3.339 . 0 0 "[ . 1 . 2]" 1 1166 1 75 GLN HA 1 76 GLY H . . 3.130 3.068 2.662 3.291 0.161 7 0 "[ . 1 . 2]" 1 1167 1 75 GLN HA 1 76 GLY QA . . 5.340 4.146 3.980 4.222 . 0 0 "[ . 1 . 2]" 1 1168 1 75 GLN HA 1 77 MET H . . 4.890 4.648 4.217 4.844 . 0 0 "[ . 1 . 2]" 1 1169 1 75 GLN QB 1 75 GLN QE . . 3.550 2.172 1.875 3.486 . 0 0 "[ . 1 . 2]" 1 1170 1 75 GLN HB2 1 76 GLY H . . 4.670 4.289 3.513 4.542 . 0 0 "[ . 1 . 2]" 1 1171 1 75 GLN HB3 1 76 GLY H . . 4.670 4.402 4.178 4.633 . 0 0 "[ . 1 . 2]" 1 1172 1 75 GLN QE 1 75 GLN QG . . 2.980 2.457 2.115 2.585 . 0 0 "[ . 1 . 2]" 1 1173 1 75 GLN QG 1 76 GLY H . . 4.270 3.784 3.162 4.528 0.258 17 0 "[ . 1 . 2]" 1 1174 1 76 GLY H 1 77 MET H . . 3.610 1.898 1.871 2.000 . 0 0 "[ . 1 . 2]" 1 1175 1 77 MET H 1 77 MET QB . . 3.250 2.448 2.287 2.645 . 0 0 "[ . 1 . 2]" 1 1176 1 77 MET H 1 77 MET HG2 . . 3.740 2.321 1.946 3.284 . 0 0 "[ . 1 . 2]" 1 1177 1 77 MET H 1 77 MET QG . . 3.240 2.214 1.871 2.585 . 0 0 "[ . 1 . 2]" 1 1178 1 77 MET H 1 77 MET HG3 . . 3.740 3.330 1.882 3.762 0.022 13 0 "[ . 1 . 2]" 1 1179 1 77 MET H 1 114 LEU QD . . 5.340 4.654 4.069 5.356 0.016 2 0 "[ . 1 . 2]" 1 1180 1 77 MET HA 1 77 MET HG2 . . 4.250 3.390 2.575 4.204 . 0 0 "[ . 1 . 2]" 1 1181 1 77 MET HA 1 77 MET QG . . 3.610 3.089 2.532 3.402 . 0 0 "[ . 1 . 2]" 1 1182 1 77 MET HA 1 77 MET HG3 . . 4.250 3.729 3.594 3.820 . 0 0 "[ . 1 . 2]" 1 1183 1 77 MET HA 1 78 LYS H . . 3.380 2.341 2.246 2.442 . 0 0 "[ . 1 . 2]" 1 1184 1 77 MET HA 1 78 LYS HG3 . . 3.590 3.488 3.220 3.598 0.008 18 0 "[ . 1 . 2]" 1 1185 1 77 MET HA 1 114 LEU QD . . 4.880 4.468 4.122 4.875 . 0 0 "[ . 1 . 2]" 1 1186 1 77 MET QB 1 78 LYS H . . 3.890 2.562 2.354 2.850 . 0 0 "[ . 1 . 2]" 1 1187 1 77 MET QB 1 114 LEU H . . 4.170 3.779 3.352 4.227 0.057 17 0 "[ . 1 . 2]" 1 1188 1 77 MET QB 1 114 LEU QB . . 3.690 2.847 2.519 3.174 . 0 0 "[ . 1 . 2]" 1 1189 1 77 MET QB 1 114 LEU QD . . 3.470 2.842 2.069 3.462 . 0 0 "[ . 1 . 2]" 1 1190 1 77 MET QG 1 78 LYS H . . 5.340 3.967 3.361 4.341 . 0 0 "[ . 1 . 2]" 1 1191 1 77 MET QG 1 114 LEU QD . . 5.280 2.996 1.864 4.487 . 0 0 "[ . 1 . 2]" 1 1192 1 78 LYS H 1 78 LYS QB . . 3.590 2.658 2.562 2.784 . 0 0 "[ . 1 . 2]" 1 1193 1 78 LYS H 1 78 LYS QE . . 5.090 4.655 2.950 5.093 0.003 15 0 "[ . 1 . 2]" 1 1194 1 78 LYS H 1 78 LYS HG2 . . 4.360 3.806 3.368 4.278 . 0 0 "[ . 1 . 2]" 1 1195 1 78 LYS H 1 78 LYS HG3 . . 4.030 2.817 2.640 2.982 . 0 0 "[ . 1 . 2]" 1 1196 1 78 LYS H 1 114 LEU QB . . 5.340 3.629 3.379 4.039 . 0 0 "[ . 1 . 2]" 1 1197 1 78 LYS H 1 114 LEU QD . . 4.540 3.592 3.103 4.168 . 0 0 "[ . 1 . 2]" 1 1198 1 78 LYS HA 1 78 LYS HG2 . . 4.070 2.650 2.507 2.953 . 0 0 "[ . 1 . 2]" 1 1199 1 78 LYS HA 1 78 LYS HG3 . . 3.860 3.205 2.737 3.580 . 0 0 "[ . 1 . 2]" 1 1200 1 78 LYS HA 1 79 VAL H . . 3.110 2.337 2.260 2.505 . 0 0 "[ . 1 . 2]" 1 1201 1 78 LYS HA 1 114 LEU QD . . 4.210 3.047 2.433 3.680 . 0 0 "[ . 1 . 2]" 1 1202 1 78 LYS QB 1 78 LYS QD . . 3.110 2.134 2.004 2.308 . 0 0 "[ . 1 . 2]" 1 1203 1 78 LYS QB 1 79 VAL H . . 3.780 2.576 2.207 2.753 . 0 0 "[ . 1 . 2]" 1 1204 1 78 LYS QE 1 78 LYS HG2 . . 3.780 2.641 2.182 3.235 . 0 0 "[ . 1 . 2]" 1 1205 1 78 LYS QE 1 78 LYS HG3 . . 3.600 2.399 2.040 3.301 . 0 0 "[ . 1 . 2]" 1 1206 1 78 LYS HG2 1 79 VAL H . . 4.440 4.316 4.105 4.489 0.049 18 0 "[ . 1 . 2]" 1 1207 1 79 VAL H 1 79 VAL HB . . 3.290 2.606 2.528 2.688 . 0 0 "[ . 1 . 2]" 1 1208 1 79 VAL H 1 79 VAL MG1 . . 4.000 3.763 3.756 3.767 . 0 0 "[ . 1 . 2]" 1 1209 1 79 VAL H 1 79 VAL MG2 . . 2.940 2.092 1.937 2.237 . 0 0 "[ . 1 . 2]" 1 1210 1 79 VAL H 1 114 LEU QD . . 3.740 3.059 2.464 3.765 0.025 18 0 "[ . 1 . 2]" 1 1211 1 79 VAL H 1 117 VAL QG . . 4.620 3.823 3.156 4.275 . 0 0 "[ . 1 . 2]" 1 1212 1 79 VAL HA 1 79 VAL MG1 . . 3.280 2.311 2.227 2.398 . 0 0 "[ . 1 . 2]" 1 1213 1 79 VAL HA 1 79 VAL MG2 . . 3.520 2.361 2.268 2.422 . 0 0 "[ . 1 . 2]" 1 1214 1 79 VAL HA 1 80 GLY H . . 3.070 2.149 2.144 2.160 . 0 0 "[ . 1 . 2]" 1 1215 1 79 VAL HA 1 80 GLY QA . . 4.200 3.919 3.908 3.933 . 0 0 "[ . 1 . 2]" 1 1216 1 79 VAL HA 1 81 GLY H . . 4.030 3.405 3.346 3.457 . 0 0 "[ . 1 . 2]" 1 1217 1 79 VAL HA 1 114 LEU HB2 . . 4.570 3.615 3.382 4.576 0.006 3 0 "[ . 1 . 2]" 1 1218 1 79 VAL HA 1 114 LEU QB . . 3.820 2.185 1.938 3.459 . 0 0 "[ . 1 . 2]" 1 1219 1 79 VAL HA 1 114 LEU HB3 . . 4.570 2.210 1.950 3.580 . 0 0 "[ . 1 . 2]" 1 1220 1 79 VAL HA 1 114 LEU MD1 . . 4.700 2.280 1.945 3.385 . 0 0 "[ . 1 . 2]" 1 1221 1 79 VAL HA 1 114 LEU QD . . 3.590 1.985 1.753 2.373 . 0 0 "[ . 1 . 2]" 1 1222 1 79 VAL HA 1 114 LEU MD2 . . 4.700 2.766 1.936 3.759 . 0 0 "[ . 1 . 2]" 1 1223 1 79 VAL HA 1 114 LEU HG . . 3.960 2.898 1.949 3.996 0.036 5 0 "[ . 1 . 2]" 1 1224 1 79 VAL HA 1 116 ASP HA . . 5.500 4.062 3.662 4.507 . 0 0 "[ . 1 . 2]" 1 1225 1 79 VAL MG1 1 80 GLY H . . 3.490 2.612 2.415 2.791 . 0 0 "[ . 1 . 2]" 1 1226 1 79 VAL MG1 1 81 GLY H . . 4.540 4.411 4.337 4.476 . 0 0 "[ . 1 . 2]" 1 1227 1 79 VAL MG1 1 116 ASP QB . . 4.250 3.696 3.368 4.271 0.021 14 0 "[ . 1 . 2]" 1 1228 1 79 VAL MG1 1 117 VAL H . . 4.250 3.267 2.661 3.916 . 0 0 "[ . 1 . 2]" 1 1229 1 79 VAL MG2 1 80 GLY H . . 4.220 4.067 4.007 4.145 . 0 0 "[ . 1 . 2]" 1 1230 1 79 VAL MG2 1 116 ASP H . . 4.970 4.523 3.879 4.986 0.016 3 0 "[ . 1 . 2]" 1 1231 1 79 VAL MG2 1 116 ASP HA . . 3.580 2.979 2.224 3.375 . 0 0 "[ . 1 . 2]" 1 1232 1 79 VAL MG2 1 116 ASP QB . . 4.850 4.656 4.101 4.891 0.041 4 0 "[ . 1 . 2]" 1 1233 1 79 VAL MG2 1 117 VAL H . . 3.560 2.899 2.464 3.476 . 0 0 "[ . 1 . 2]" 1 1234 1 79 VAL MG2 1 117 VAL HB . . 4.100 4.010 3.807 4.237 0.137 14 0 "[ . 1 . 2]" 1 1235 1 79 VAL MG2 1 117 VAL MG1 . . 3.420 1.894 1.762 3.277 . 0 0 "[ . 1 . 2]" 1 1236 1 79 VAL MG2 1 117 VAL QG . . 2.650 1.748 1.643 1.823 . 0 0 "[ . 1 . 2]" 1 1237 1 79 VAL MG2 1 117 VAL MG2 . . 3.420 2.300 1.768 2.869 . 0 0 "[ . 1 . 2]" 1 1238 1 80 GLY H 1 81 GLY H . . 3.680 2.537 2.526 2.572 . 0 0 "[ . 1 . 2]" 1 1239 1 80 GLY H 1 114 LEU QB . . 4.290 2.144 1.928 3.091 . 0 0 "[ . 1 . 2]" 1 1240 1 80 GLY H 1 114 LEU QD . . 4.360 2.814 2.352 3.194 . 0 0 "[ . 1 . 2]" 1 1241 1 80 GLY H 1 114 LEU HG . . 4.970 4.080 2.240 4.944 . 0 0 "[ . 1 . 2]" 1 1242 1 81 GLY H 1 114 LEU H . . 4.740 3.600 3.424 3.930 . 0 0 "[ . 1 . 2]" 1 1243 1 81 GLY H 1 114 LEU QB . . 3.930 2.522 2.186 2.842 . 0 0 "[ . 1 . 2]" 1 1244 1 81 GLY H 1 114 LEU QD . . 4.600 3.841 3.391 4.239 . 0 0 "[ . 1 . 2]" 1 1245 1 81 GLY HA2 1 82 VAL H . . 3.210 2.159 2.139 2.193 . 0 0 "[ . 1 . 2]" 1 1246 1 81 GLY HA3 1 82 VAL QG . . 5.500 4.260 4.133 4.377 . 0 0 "[ . 1 . 2]" 1 1247 1 82 VAL H 1 82 VAL HB . . 3.760 2.755 2.655 2.865 . 0 0 "[ . 1 . 2]" 1 1248 1 82 VAL H 1 82 VAL QG . . 3.700 2.760 2.498 2.881 . 0 0 "[ . 1 . 2]" 1 1249 1 82 VAL HA 1 82 VAL QG . . 3.170 2.041 2.002 2.069 . 0 0 "[ . 1 . 2]" 1 1250 1 82 VAL HA 1 83 ARG H . . 3.200 2.144 2.140 2.164 . 0 0 "[ . 1 . 2]" 1 1251 1 82 VAL HA 1 113 GLU HA . . 3.750 2.195 2.080 2.320 . 0 0 "[ . 1 . 2]" 1 1252 1 82 VAL HA 1 113 GLU QB . . 3.980 3.075 2.605 3.661 . 0 0 "[ . 1 . 2]" 1 1253 1 82 VAL HA 1 114 LEU H . . 4.310 3.595 3.425 3.825 . 0 0 "[ . 1 . 2]" 1 1254 1 82 VAL HB 1 83 ARG H . . 4.600 4.205 4.014 4.298 . 0 0 "[ . 1 . 2]" 1 1255 1 82 VAL QG 1 83 ARG H . . 3.580 2.596 2.367 2.770 . 0 0 "[ . 1 . 2]" 1 1256 1 82 VAL QG 1 111 GLU QG . . 4.310 2.973 2.575 3.474 . 0 0 "[ . 1 . 2]" 1 1257 1 82 VAL QG 1 112 VAL H . . 5.450 4.243 4.001 4.440 . 0 0 "[ . 1 . 2]" 1 1258 1 82 VAL QG 1 113 GLU H . . 4.490 4.051 3.967 4.242 . 0 0 "[ . 1 . 2]" 1 1259 1 82 VAL QG 1 113 GLU HA . . 3.670 2.361 2.174 2.709 . 0 0 "[ . 1 . 2]" 1 1260 1 82 VAL QG 1 114 LEU H . . 4.240 3.266 3.081 3.471 . 0 0 "[ . 1 . 2]" 1 1261 1 83 ARG H 1 83 ARG QB . . 3.420 3.064 2.682 3.325 . 0 0 "[ . 1 . 2]" 1 1262 1 83 ARG H 1 112 VAL H . . 4.000 3.516 3.295 3.793 . 0 0 "[ . 1 . 2]" 1 1263 1 83 ARG H 1 112 VAL HB . . 4.710 3.895 3.621 4.269 . 0 0 "[ . 1 . 2]" 1 1264 1 83 ARG H 1 113 GLU HA . . 4.560 3.592 3.236 3.831 . 0 0 "[ . 1 . 2]" 1 1265 1 83 ARG HA 1 84 ARG H . . 3.260 2.268 2.230 2.278 . 0 0 "[ . 1 . 2]" 1 1266 1 83 ARG QB 1 84 ARG H . . 4.320 2.840 2.701 3.546 . 0 0 "[ . 1 . 2]" 1 1267 1 83 ARG QD 1 85 LEU QD . . 4.180 2.979 2.021 4.180 0.000 11 0 "[ . 1 . 2]" 1 1268 1 83 ARG QG 1 84 ARG H . . 4.360 3.801 2.188 4.278 . 0 0 "[ . 1 . 2]" 1 1269 1 84 ARG H 1 84 ARG HB2 . . 3.820 3.334 2.637 3.712 . 0 0 "[ . 1 . 2]" 1 1270 1 84 ARG H 1 84 ARG QB . . 3.290 2.592 2.223 2.921 . 0 0 "[ . 1 . 2]" 1 1271 1 84 ARG H 1 84 ARG HB3 . . 3.820 2.711 2.295 3.055 . 0 0 "[ . 1 . 2]" 1 1272 1 84 ARG HA 1 84 ARG QD . . 4.960 4.218 4.003 4.496 . 0 0 "[ . 1 . 2]" 1 1273 1 84 ARG HA 1 84 ARG QG . . 3.620 3.016 2.417 3.346 . 0 0 "[ . 1 . 2]" 1 1274 1 84 ARG HA 1 85 LEU H . . 3.250 2.154 2.141 2.211 . 0 0 "[ . 1 . 2]" 1 1275 1 84 ARG HA 1 111 GLU H . . 4.890 4.586 4.487 4.711 . 0 0 "[ . 1 . 2]" 1 1276 1 84 ARG HA 1 111 GLU HA . . 3.630 1.931 1.869 2.000 . 0 0 "[ . 1 . 2]" 1 1277 1 84 ARG HA 1 112 VAL H . . 4.180 2.934 2.594 3.197 . 0 0 "[ . 1 . 2]" 1 1278 1 84 ARG QB 1 84 ARG QD . . 3.410 2.134 1.925 2.363 . 0 0 "[ . 1 . 2]" 1 1279 1 84 ARG QB 1 111 GLU HA . . 3.970 3.176 2.402 3.772 . 0 0 "[ . 1 . 2]" 1 1280 1 84 ARG QD 1 109 VAL QG . . 4.960 3.047 1.842 4.702 . 0 0 "[ . 1 . 2]" 1 1281 1 84 ARG QG 1 86 THR H . . 5.500 4.852 3.847 5.450 . 0 0 "[ . 1 . 2]" 1 1282 1 84 ARG QG 1 111 GLU QG . . 5.340 3.931 2.819 4.879 . 0 0 "[ . 1 . 2]" 1 1283 1 85 LEU H 1 85 LEU QB . . 3.510 2.610 2.320 3.138 . 0 0 "[ . 1 . 2]" 1 1284 1 85 LEU H 1 85 LEU MD1 . . 4.790 2.921 1.932 3.804 . 0 0 "[ . 1 . 2]" 1 1285 1 85 LEU H 1 85 LEU QD . . 4.120 2.746 1.929 3.473 . 0 0 "[ . 1 . 2]" 1 1286 1 85 LEU H 1 85 LEU MD2 . . 4.790 4.058 2.585 4.421 . 0 0 "[ . 1 . 2]" 1 1287 1 85 LEU H 1 85 LEU HG . . 3.630 2.960 1.942 3.640 0.010 13 0 "[ . 1 . 2]" 1 1288 1 85 LEU H 1 110 PHE H . . 4.090 3.621 3.312 4.129 0.039 5 0 "[ . 1 . 2]" 1 1289 1 85 LEU H 1 111 GLU H . . 5.110 4.893 4.612 5.076 . 0 0 "[ . 1 . 2]" 1 1290 1 85 LEU H 1 111 GLU HA . . 4.270 2.954 2.429 3.266 . 0 0 "[ . 1 . 2]" 1 1291 1 85 LEU HA 1 85 LEU MD1 . . 4.690 3.767 3.361 4.115 . 0 0 "[ . 1 . 2]" 1 1292 1 85 LEU HA 1 85 LEU QD . . 3.540 2.817 2.240 3.245 . 0 0 "[ . 1 . 2]" 1 1293 1 85 LEU HA 1 85 LEU MD2 . . 4.690 2.993 2.252 3.589 . 0 0 "[ . 1 . 2]" 1 1294 1 85 LEU HA 1 86 THR H . . 3.160 2.167 2.140 2.197 . 0 0 "[ . 1 . 2]" 1 1295 1 85 LEU QB 1 86 THR H . . 4.000 3.089 2.946 3.269 . 0 0 "[ . 1 . 2]" 1 1296 1 85 LEU QB 1 87 ILE MD . . 4.070 3.574 3.269 3.998 . 0 0 "[ . 1 . 2]" 1 1297 1 85 LEU QB 1 110 PHE H . . 5.210 4.213 3.853 4.751 . 0 0 "[ . 1 . 2]" 1 1298 1 85 LEU QB 1 110 PHE HB2 . . 5.340 4.414 3.955 5.358 0.018 3 0 "[ . 1 . 2]" 1 1299 1 85 LEU HB2 1 86 THR H . . 4.690 4.021 3.156 4.334 . 0 0 "[ . 1 . 2]" 1 1300 1 85 LEU HB2 1 87 ILE MD . . 4.720 3.751 3.393 4.310 . 0 0 "[ . 1 . 2]" 1 1301 1 85 LEU HB3 1 86 THR H . . 4.690 3.236 3.064 3.733 . 0 0 "[ . 1 . 2]" 1 1302 1 85 LEU HB3 1 87 ILE MD . . 4.720 4.582 3.838 4.766 0.046 3 0 "[ . 1 . 2]" 1 1303 1 85 LEU QD 1 86 THR H . . 5.440 3.972 3.329 4.293 . 0 0 "[ . 1 . 2]" 1 1304 1 85 LEU QD 1 87 ILE QG . . 5.210 3.982 2.724 4.201 . 0 0 "[ . 1 . 2]" 1 1305 1 85 LEU QD 1 110 PHE H . . 5.390 4.945 4.412 5.391 0.001 17 0 "[ . 1 . 2]" 1 1306 1 85 LEU QD 1 110 PHE HB2 . . 5.440 4.776 3.994 5.213 . 0 0 "[ . 1 . 2]" 1 1307 1 85 LEU QD 1 110 PHE HB3 . . 5.440 5.024 4.561 5.474 0.034 17 0 "[ . 1 . 2]" 1 1308 1 85 LEU HG 1 86 THR H . . 5.500 4.757 4.301 5.204 . 0 0 "[ . 1 . 2]" 1 1309 1 86 THR H 1 86 THR HB . . 3.720 2.716 2.457 2.908 . 0 0 "[ . 1 . 2]" 1 1310 1 86 THR H 1 86 THR MG . . 4.570 3.795 3.774 3.818 . 0 0 "[ . 1 . 2]" 1 1311 1 86 THR H 1 109 VAL MG1 . . 5.500 3.648 3.432 3.893 . 0 0 "[ . 1 . 2]" 1 1312 1 86 THR H 1 109 VAL MG2 . . 5.500 5.152 4.635 5.744 0.244 1 0 "[ . 1 . 2]" 1 1313 1 86 THR HA 1 86 THR MG . . 3.310 2.181 2.070 2.387 . 0 0 "[ . 1 . 2]" 1 1314 1 86 THR HA 1 87 ILE H . . 3.160 2.150 2.141 2.155 . 0 0 "[ . 1 . 2]" 1 1315 1 86 THR HA 1 87 ILE HB . . 4.880 4.632 4.596 4.665 . 0 0 "[ . 1 . 2]" 1 1316 1 86 THR HA 1 109 VAL HA . . 3.760 2.033 1.919 2.194 . 0 0 "[ . 1 . 2]" 1 1317 1 86 THR HA 1 109 VAL MG1 . . 4.110 2.216 1.975 2.476 . 0 0 "[ . 1 . 2]" 1 1318 1 86 THR HA 1 109 VAL QG . . 3.470 2.160 1.964 2.417 . 0 0 "[ . 1 . 2]" 1 1319 1 86 THR HA 1 109 VAL MG2 . . 4.110 3.174 2.645 4.071 . 0 0 "[ . 1 . 2]" 1 1320 1 86 THR HA 1 110 PHE H . . 4.510 3.148 2.927 3.516 . 0 0 "[ . 1 . 2]" 1 1321 1 86 THR MG 1 87 ILE H . . 3.630 2.876 2.649 2.994 . 0 0 "[ . 1 . 2]" 1 1322 1 86 THR MG 1 88 PRO HD3 . . 4.800 4.031 3.309 4.801 0.001 9 0 "[ . 1 . 2]" 1 1323 1 86 THR MG 1 109 VAL H . . 4.970 4.046 3.624 4.344 . 0 0 "[ . 1 . 2]" 1 1324 1 86 THR MG 1 109 VAL HA . . 4.690 2.883 2.530 3.366 . 0 0 "[ . 1 . 2]" 1 1325 1 87 ILE H 1 87 ILE HB . . 3.650 2.508 2.486 2.546 . 0 0 "[ . 1 . 2]" 1 1326 1 87 ILE H 1 87 ILE MD . . 4.040 3.454 2.867 3.781 . 0 0 "[ . 1 . 2]" 1 1327 1 87 ILE H 1 87 ILE QG . . 3.730 2.592 2.476 2.774 . 0 0 "[ . 1 . 2]" 1 1328 1 87 ILE H 1 87 ILE MG . . 4.440 3.793 3.782 3.810 . 0 0 "[ . 1 . 2]" 1 1329 1 87 ILE H 1 107 THR MG . . 4.460 3.646 3.347 3.999 . 0 0 "[ . 1 . 2]" 1 1330 1 87 ILE H 1 108 LEU H . . 4.310 4.197 4.052 4.333 0.023 16 0 "[ . 1 . 2]" 1 1331 1 87 ILE H 1 109 VAL HA . . 4.250 2.469 2.038 2.868 . 0 0 "[ . 1 . 2]" 1 1332 1 87 ILE H 1 109 VAL QG . . 4.610 3.435 2.969 3.796 . 0 0 "[ . 1 . 2]" 1 1333 1 87 ILE H 1 110 PHE H . . 4.590 3.512 2.915 3.946 . 0 0 "[ . 1 . 2]" 1 1334 1 87 ILE HA 1 87 ILE MD . . 4.610 3.856 3.780 3.880 . 0 0 "[ . 1 . 2]" 1 1335 1 87 ILE HA 1 87 ILE MG . . 3.550 2.350 2.301 2.414 . 0 0 "[ . 1 . 2]" 1 1336 1 87 ILE HA 1 88 PRO HD2 . . 3.720 1.957 1.912 2.109 . 0 0 "[ . 1 . 2]" 1 1337 1 87 ILE HA 1 88 PRO HD3 . . 3.800 2.383 2.259 2.497 . 0 0 "[ . 1 . 2]" 1 1338 1 87 ILE HA 1 91 LEU QD . . 5.380 4.673 4.253 5.218 . 0 0 "[ . 1 . 2]" 1 1339 1 87 ILE HB 1 87 ILE MD . . 3.520 2.230 2.040 2.386 . 0 0 "[ . 1 . 2]" 1 1340 1 87 ILE HB 1 108 LEU H . . 4.690 4.320 4.064 4.582 . 0 0 "[ . 1 . 2]" 1 1341 1 87 ILE HB 1 108 LEU HB2 . . 4.170 3.576 3.252 3.925 . 0 0 "[ . 1 . 2]" 1 1342 1 87 ILE HB 1 108 LEU HB3 . . 5.350 4.837 4.452 5.250 . 0 0 "[ . 1 . 2]" 1 1343 1 87 ILE MD 1 108 LEU HB2 . . 4.800 4.681 4.405 4.819 0.019 19 0 "[ . 1 . 2]" 1 1344 1 87 ILE MD 1 110 PHE H . . 5.050 3.784 3.373 4.408 . 0 0 "[ . 1 . 2]" 1 1345 1 87 ILE MD 1 110 PHE QD . . 3.370 2.849 2.126 3.344 . 0 0 "[ . 1 . 2]" 1 1346 1 87 ILE QG 1 87 ILE MG . . 3.090 2.201 2.097 2.329 . 0 0 "[ . 1 . 2]" 1 1347 1 87 ILE QG 1 110 PHE QD . . 4.920 4.171 3.304 4.788 . 0 0 "[ . 1 . 2]" 1 1348 1 87 ILE MG 1 88 PRO HD2 . . 3.750 2.412 1.909 2.734 . 0 0 "[ . 1 . 2]" 1 1349 1 87 ILE MG 1 91 LEU H . . 4.330 3.876 3.478 4.125 . 0 0 "[ . 1 . 2]" 1 1350 1 87 ILE MG 1 91 LEU HB2 . . 3.300 2.928 2.391 3.323 0.023 1 0 "[ . 1 . 2]" 1 1351 1 87 ILE MG 1 91 LEU HB3 . . 3.450 2.944 2.479 3.355 . 0 0 "[ . 1 . 2]" 1 1352 1 87 ILE MG 1 92 GLY H . . 4.240 3.761 3.610 3.943 . 0 0 "[ . 1 . 2]" 1 1353 1 87 ILE MG 1 92 GLY HA2 . . 4.370 3.353 3.157 3.553 . 0 0 "[ . 1 . 2]" 1 1354 1 87 ILE MG 1 92 GLY QA . . 3.690 2.574 2.385 2.921 . 0 0 "[ . 1 . 2]" 1 1355 1 87 ILE MG 1 92 GLY HA3 . . 4.370 2.685 2.443 3.161 . 0 0 "[ . 1 . 2]" 1 1356 1 87 ILE MG 1 110 PHE QD . . 5.470 4.551 3.873 5.018 . 0 0 "[ . 1 . 2]" 1 1357 1 87 ILE MG 1 110 PHE QE . . 5.500 4.984 3.734 5.512 0.012 17 0 "[ . 1 . 2]" 1 1358 1 88 PRO HA 1 89 PRO HD2 . . 3.780 2.586 2.577 2.598 . 0 0 "[ . 1 . 2]" 1 1359 1 88 PRO HA 1 89 PRO HD3 . . 3.780 2.396 2.391 2.403 . 0 0 "[ . 1 . 2]" 1 1360 1 88 PRO HA 1 89 PRO HG3 . . 4.670 4.599 4.593 4.608 . 0 0 "[ . 1 . 2]" 1 1361 1 88 PRO QB 1 89 PRO QD . . 3.270 1.903 1.880 1.920 . 0 0 "[ . 1 . 2]" 1 1362 1 88 PRO QB 1 90 GLN H . . 5.040 2.509 2.490 2.525 . 0 0 "[ . 1 . 2]" 1 1363 1 88 PRO QB 1 90 GLN QE . . 4.590 3.138 1.927 4.253 . 0 0 "[ . 1 . 2]" 1 1364 1 88 PRO QB 1 91 LEU QD . . 4.680 3.381 3.281 3.834 . 0 0 "[ . 1 . 2]" 1 1365 1 88 PRO QB 1 107 THR MG . . 4.700 2.931 2.649 3.233 . 0 0 "[ . 1 . 2]" 1 1366 1 88 PRO HD2 1 91 LEU QD . . 3.740 3.325 2.897 3.740 . 0 0 "[ . 1 . 2]" 1 1367 1 88 PRO HD2 1 92 GLY H . . 5.500 5.589 5.575 5.604 0.104 17 0 "[ . 1 . 2]" 1 1368 1 88 PRO HD3 1 91 LEU HB2 . . 4.240 4.207 4.137 4.279 0.039 14 0 "[ . 1 . 2]" 1 1369 1 88 PRO HD3 1 91 LEU QD . . 4.490 4.148 3.685 4.525 0.035 4 0 "[ . 1 . 2]" 1 1370 1 88 PRO QG 1 90 GLN H . . 4.610 3.677 3.645 3.706 . 0 0 "[ . 1 . 2]" 1 1371 1 88 PRO QG 1 90 GLN QE . . 4.060 3.066 2.290 3.819 . 0 0 "[ . 1 . 2]" 1 1372 1 88 PRO QG 1 91 LEU H . . 4.110 2.921 2.906 2.937 . 0 0 "[ . 1 . 2]" 1 1373 1 89 PRO HA 1 91 LEU H . . 5.260 3.643 3.637 3.652 . 0 0 "[ . 1 . 2]" 1 1374 1 89 PRO HA 1 92 GLY H . . 4.430 3.121 3.085 3.152 . 0 0 "[ . 1 . 2]" 1 1375 1 89 PRO HA 1 92 GLY QA . . 5.040 3.613 3.429 3.771 . 0 0 "[ . 1 . 2]" 1 1376 1 89 PRO HA 1 94 GLY H . . 4.940 2.275 1.948 2.748 . 0 0 "[ . 1 . 2]" 1 1377 1 89 PRO HA 1 107 THR HA . . 4.770 4.491 4.175 4.690 . 0 0 "[ . 1 . 2]" 1 1378 1 89 PRO HA 1 107 THR MG . . 5.500 5.298 5.143 5.482 . 0 0 "[ . 1 . 2]" 1 1379 1 89 PRO QB 1 94 GLY H . . 4.470 2.506 2.231 2.956 . 0 0 "[ . 1 . 2]" 1 1380 1 89 PRO QB 1 94 GLY HA2 . . 4.370 2.517 2.072 3.004 . 0 0 "[ . 1 . 2]" 1 1381 1 89 PRO QB 1 94 GLY HA3 . . 4.370 3.938 3.566 4.389 0.019 13 0 "[ . 1 . 2]" 1 1382 1 89 PRO QB 1 105 ASN H . . 5.480 4.931 2.957 5.254 . 0 0 "[ . 1 . 2]" 1 1383 1 89 PRO QB 1 105 ASN HA . . 3.860 3.587 2.324 3.884 0.024 16 0 "[ . 1 . 2]" 1 1384 1 89 PRO QD 1 90 GLN H . . 3.950 2.605 2.603 2.606 . 0 0 "[ . 1 . 2]" 1 1385 1 89 PRO QD 1 107 THR HA . . 4.490 2.109 1.982 2.345 . 0 0 "[ . 1 . 2]" 1 1386 1 89 PRO QD 1 107 THR MG . . 4.210 3.088 2.723 3.312 . 0 0 "[ . 1 . 2]" 1 1387 1 89 PRO HD2 1 90 GLN H . . 4.540 2.650 2.648 2.651 . 0 0 "[ . 1 . 2]" 1 1388 1 89 PRO HD2 1 107 THR MG . . 4.860 3.808 3.321 4.093 . 0 0 "[ . 1 . 2]" 1 1389 1 89 PRO HD3 1 90 GLN H . . 4.540 3.836 3.836 3.837 . 0 0 "[ . 1 . 2]" 1 1390 1 89 PRO HD3 1 107 THR MG . . 4.860 3.267 2.892 3.501 . 0 0 "[ . 1 . 2]" 1 1391 1 89 PRO HG2 1 90 GLN H . . 3.640 2.279 2.261 2.302 . 0 0 "[ . 1 . 2]" 1 1392 1 89 PRO HG2 1 91 LEU H . . 5.500 4.725 4.712 4.746 . 0 0 "[ . 1 . 2]" 1 1393 1 89 PRO HG2 1 105 ASN HA . . 4.070 3.372 2.815 3.773 . 0 0 "[ . 1 . 2]" 1 1394 1 89 PRO HG2 1 106 ALA H . . 5.500 5.215 4.970 5.464 . 0 0 "[ . 1 . 2]" 1 1395 1 89 PRO HG3 1 90 GLN H . . 4.670 3.814 3.801 3.831 . 0 0 "[ . 1 . 2]" 1 1396 1 89 PRO HG3 1 105 ASN HA . . 4.100 2.522 2.028 2.832 . 0 0 "[ . 1 . 2]" 1 1397 1 89 PRO HG3 1 105 ASN QB . . 4.930 4.322 3.689 4.776 . 0 0 "[ . 1 . 2]" 1 1398 1 89 PRO HG3 1 106 ALA H . . 4.530 3.592 3.400 3.944 . 0 0 "[ . 1 . 2]" 1 1399 1 90 GLN H 1 90 GLN QB . . 3.130 2.634 2.514 2.665 . 0 0 "[ . 1 . 2]" 1 1400 1 90 GLN H 1 90 GLN QE . . 5.150 4.208 2.604 4.820 . 0 0 "[ . 1 . 2]" 1 1401 1 90 GLN H 1 90 GLN QG . . 4.010 2.085 1.989 2.118 . 0 0 "[ . 1 . 2]" 1 1402 1 90 GLN H 1 91 LEU H . . 3.740 2.606 2.597 2.616 . 0 0 "[ . 1 . 2]" 1 1403 1 90 GLN H 1 91 LEU HB2 . . 5.110 4.577 4.504 4.985 . 0 0 "[ . 1 . 2]" 1 1404 1 90 GLN H 1 91 LEU QD . . 4.250 3.821 3.655 4.314 0.064 14 0 "[ . 1 . 2]" 1 1405 1 90 GLN H 1 92 GLY H . . 5.480 3.982 3.963 4.008 . 0 0 "[ . 1 . 2]" 1 1406 1 90 GLN HA 1 92 GLY H . . 4.230 4.002 3.970 4.027 . 0 0 "[ . 1 . 2]" 1 1407 1 90 GLN QB 1 91 LEU H . . 4.340 3.737 3.730 3.756 . 0 0 "[ . 1 . 2]" 1 1408 1 90 GLN QB 1 91 LEU HB2 . . 5.460 4.947 4.906 5.449 . 0 0 "[ . 1 . 2]" 1 1409 1 90 GLN QB 1 91 LEU QD . . 4.810 2.735 2.594 3.275 . 0 0 "[ . 1 . 2]" 1 1410 1 90 GLN QB 1 91 LEU HG . . 5.500 4.977 3.872 5.542 0.042 15 0 "[ . 1 . 2]" 1 1411 1 90 GLN QE 1 91 LEU QD . . 4.200 2.883 2.149 3.812 . 0 0 "[ . 1 . 2]" 1 1412 1 90 GLN QG 1 91 LEU HB2 . . 4.810 3.267 3.165 3.792 . 0 0 "[ . 1 . 2]" 1 1413 1 90 GLN QG 1 91 LEU QD . . 4.190 1.897 1.811 1.960 . 0 0 "[ . 1 . 2]" 1 1414 1 90 GLN QG 1 91 LEU HG . . 5.370 4.079 1.964 4.339 . 0 0 "[ . 1 . 2]" 1 1415 1 91 LEU H 1 91 LEU HB2 . . 3.640 2.496 2.427 2.754 . 0 0 "[ . 1 . 2]" 1 1416 1 91 LEU H 1 91 LEU HB3 . . 3.760 3.641 3.591 3.818 0.058 14 0 "[ . 1 . 2]" 1 1417 1 91 LEU H 1 91 LEU QD . . 3.920 2.911 2.768 3.254 . 0 0 "[ . 1 . 2]" 1 1418 1 91 LEU H 1 91 LEU HG . . 4.800 4.273 2.896 4.569 . 0 0 "[ . 1 . 2]" 1 1419 1 91 LEU H 1 92 GLY H . . 3.220 2.036 2.020 2.063 . 0 0 "[ . 1 . 2]" 1 1420 1 91 LEU H 1 92 GLY QA . . 4.790 3.876 3.842 3.916 . 0 0 "[ . 1 . 2]" 1 1421 1 91 LEU HA 1 91 LEU QD . . 3.070 2.443 1.889 2.985 . 0 0 "[ . 1 . 2]" 1 1422 1 91 LEU HB2 1 92 GLY H . . 3.890 3.758 3.681 3.815 . 0 0 "[ . 1 . 2]" 1 1423 1 91 LEU QD 1 92 GLY H . . 4.890 4.169 3.978 4.415 . 0 0 "[ . 1 . 2]" 1 1424 1 92 GLY H 1 93 TYR H . . 4.380 3.297 3.114 3.469 . 0 0 "[ . 1 . 2]" 1 1425 1 92 GLY H 1 94 GLY H . . 4.370 3.949 3.648 4.373 0.003 20 0 "[ . 1 . 2]" 1 1426 1 92 GLY QA 1 108 LEU MD1 . . 4.220 3.943 3.411 4.220 0.000 4 0 "[ . 1 . 2]" 1 1427 1 93 TYR H 1 93 TYR QD . . 4.130 2.706 2.235 3.464 . 0 0 "[ . 1 . 2]" 1 1428 1 93 TYR H 1 94 GLY H . . 3.680 2.842 2.464 3.104 . 0 0 "[ . 1 . 2]" 1 1429 1 93 TYR H 1 108 LEU MD1 . . 4.640 3.183 2.423 3.989 . 0 0 "[ . 1 . 2]" 1 1430 1 93 TYR HA 1 93 TYR QD . . 3.720 2.235 1.958 2.434 . 0 0 "[ . 1 . 2]" 1 1431 1 93 TYR QB 1 94 GLY H . . 4.220 2.270 2.107 2.476 . 0 0 "[ . 1 . 2]" 1 1432 1 93 TYR QB 1 97 GLY H . . 5.340 3.859 3.568 4.003 . 0 0 "[ . 1 . 2]" 1 1433 1 93 TYR QB 1 97 GLY QA . . 4.710 4.248 3.156 4.467 . 0 0 "[ . 1 . 2]" 1 1434 1 93 TYR QB 1 98 ALA MB . . 4.400 3.853 3.047 4.102 . 0 0 "[ . 1 . 2]" 1 1435 1 93 TYR QB 1 102 ILE MD . . 5.340 5.264 5.143 5.356 0.016 8 0 "[ . 1 . 2]" 1 1436 1 93 TYR QB 1 102 ILE MG . . 4.210 3.934 2.717 4.072 . 0 0 "[ . 1 . 2]" 1 1437 1 93 TYR QB 1 108 LEU MD1 . . 4.960 2.833 2.105 4.064 . 0 0 "[ . 1 . 2]" 1 1438 1 93 TYR QB 1 108 LEU MD2 . . 5.340 4.582 3.931 5.358 0.018 13 0 "[ . 1 . 2]" 1 1439 1 93 TYR HB2 1 98 ALA MB . . 5.090 4.843 3.724 5.114 0.024 19 0 "[ . 1 . 2]" 1 1440 1 93 TYR HB2 1 102 ILE MG . . 4.830 4.471 3.007 4.706 . 0 0 "[ . 1 . 2]" 1 1441 1 93 TYR HB3 1 98 ALA MB . . 5.090 4.048 3.193 4.319 . 0 0 "[ . 1 . 2]" 1 1442 1 93 TYR HB3 1 102 ILE MG . . 4.830 4.389 3.097 4.833 0.003 15 0 "[ . 1 . 2]" 1 1443 1 93 TYR QD 1 98 ALA MB . . 3.940 2.519 2.221 3.796 . 0 0 "[ . 1 . 2]" 1 1444 1 93 TYR QD 1 102 ILE HB . . 5.500 5.233 4.284 5.535 0.035 15 0 "[ . 1 . 2]" 1 1445 1 93 TYR QD 1 102 ILE MD . . 3.840 3.875 3.847 3.906 0.066 17 0 "[ . 1 . 2]" 1 1446 1 93 TYR QD 1 102 ILE MG . . 3.780 3.005 1.990 3.182 . 0 0 "[ . 1 . 2]" 1 1447 1 93 TYR QD 1 108 LEU MD1 . . 3.480 2.572 2.053 3.064 . 0 0 "[ . 1 . 2]" 1 1448 1 93 TYR QD 1 108 LEU MD2 . . 4.550 4.007 3.662 4.557 0.007 1 0 "[ . 1 . 2]" 1 1449 1 93 TYR QE 1 98 ALA MB . . 4.230 2.476 2.026 3.719 . 0 0 "[ . 1 . 2]" 1 1450 1 93 TYR QE 1 102 ILE MD . . 3.800 3.249 2.988 3.465 . 0 0 "[ . 1 . 2]" 1 1451 1 93 TYR QE 1 102 ILE MG . . 5.110 3.691 2.826 3.949 . 0 0 "[ . 1 . 2]" 1 1452 1 93 TYR QE 1 108 LEU MD1 . . 3.710 2.689 1.946 3.241 . 0 0 "[ . 1 . 2]" 1 1453 1 93 TYR QE 1 108 LEU MD2 . . 4.970 3.691 2.227 4.207 . 0 0 "[ . 1 . 2]" 1 1454 1 94 GLY QA 1 95 ALA MB . . 4.290 3.737 3.730 3.787 . 0 0 "[ . 1 . 2]" 1 1455 1 94 GLY QA 1 96 ARG H . . 4.630 2.933 2.901 2.981 . 0 0 "[ . 1 . 2]" 1 1456 1 95 ALA H 1 104 PRO HB2 . . 5.500 4.872 4.822 5.223 . 0 0 "[ . 1 . 2]" 1 1457 1 95 ALA H 1 104 PRO HB3 . . 5.500 5.160 5.107 5.238 . 0 0 "[ . 1 . 2]" 1 1458 1 95 ALA HA 1 97 GLY H . . 4.730 3.574 3.484 3.638 . 0 0 "[ . 1 . 2]" 1 1459 1 95 ALA HA 1 104 PRO HB2 . . 4.210 2.361 2.267 2.643 . 0 0 "[ . 1 . 2]" 1 1460 1 95 ALA HA 1 104 PRO QB . . 3.590 2.177 2.130 2.312 . 0 0 "[ . 1 . 2]" 1 1461 1 95 ALA HA 1 104 PRO HB3 . . 4.210 2.563 2.431 2.702 . 0 0 "[ . 1 . 2]" 1 1462 1 95 ALA HA 1 105 ASN H . . 4.770 4.627 2.526 4.782 0.012 15 0 "[ . 1 . 2]" 1 1463 1 95 ALA HA 1 105 ASN QB . . 5.340 5.371 4.097 5.480 0.140 17 0 "[ . 1 . 2]" 1 1464 1 95 ALA MB 1 96 ARG H . . 3.910 3.356 3.026 3.389 . 0 0 "[ . 1 . 2]" 1 1465 1 95 ALA MB 1 97 GLY H . . 4.580 4.525 4.318 4.587 0.007 18 0 "[ . 1 . 2]" 1 1466 1 95 ALA MB 1 104 PRO HA . . 4.660 3.603 3.472 3.682 . 0 0 "[ . 1 . 2]" 1 1467 1 95 ALA MB 1 104 PRO QB . . 4.330 1.983 1.929 2.467 . 0 0 "[ . 1 . 2]" 1 1468 1 95 ALA MB 1 105 ASN H . . 5.080 5.063 3.887 5.174 0.094 19 0 "[ . 1 . 2]" 1 1469 1 95 ALA MB 1 105 ASN HA . . 5.240 4.796 4.757 4.873 . 0 0 "[ . 1 . 2]" 1 1470 1 96 ARG H 1 96 ARG QB . . 3.230 2.248 2.165 2.560 . 0 0 "[ . 1 . 2]" 1 1471 1 96 ARG H 1 96 ARG QD . . 4.720 3.832 2.065 4.583 . 0 0 "[ . 1 . 2]" 1 1472 1 96 ARG H 1 96 ARG QG . . 4.150 3.537 2.000 4.065 . 0 0 "[ . 1 . 2]" 1 1473 1 96 ARG H 1 97 GLY H . . 3.570 2.542 2.477 2.774 . 0 0 "[ . 1 . 2]" 1 1474 1 96 ARG HA 1 96 ARG QD . . 4.120 2.903 2.047 4.114 . 0 0 "[ . 1 . 2]" 1 1475 1 96 ARG HA 1 96 ARG QG . . 3.800 2.560 2.135 3.062 . 0 0 "[ . 1 . 2]" 1 1476 1 96 ARG QB 1 96 ARG QD . . 3.470 2.299 2.023 2.853 . 0 0 "[ . 1 . 2]" 1 1477 1 96 ARG QB 1 97 GLY H . . 3.700 2.902 2.805 3.091 . 0 0 "[ . 1 . 2]" 1 1478 1 96 ARG QB 1 97 GLY QA . . 5.070 4.114 4.013 4.287 . 0 0 "[ . 1 . 2]" 1 1479 1 97 GLY H 1 104 PRO HA . . 4.480 3.338 3.104 3.477 . 0 0 "[ . 1 . 2]" 1 1480 1 97 GLY H 1 104 PRO HB2 . . 5.500 5.336 5.160 5.548 0.048 20 0 "[ . 1 . 2]" 1 1481 1 97 GLY H 1 104 PRO HB3 . . 5.500 4.267 4.107 4.455 . 0 0 "[ . 1 . 2]" 1 1482 1 97 GLY QA 1 98 ALA MB . . 4.410 3.601 3.509 3.725 . 0 0 "[ . 1 . 2]" 1 1483 1 97 GLY QA 1 102 ILE HB . . 4.400 4.060 3.188 4.133 . 0 0 "[ . 1 . 2]" 1 1484 1 97 GLY QA 1 102 ILE MD . . 5.340 4.901 4.807 5.183 . 0 0 "[ . 1 . 2]" 1 1485 1 97 GLY QA 1 102 ILE MG . . 3.700 2.926 2.739 3.102 . 0 0 "[ . 1 . 2]" 1 1486 1 97 GLY HA2 1 102 ILE HB . . 5.040 4.298 3.370 4.388 . 0 0 "[ . 1 . 2]" 1 1487 1 97 GLY HA2 1 102 ILE MG . . 4.360 2.986 2.793 3.174 . 0 0 "[ . 1 . 2]" 1 1488 1 97 GLY HA3 1 102 ILE HB . . 5.040 4.994 3.935 5.070 0.030 19 0 "[ . 1 . 2]" 1 1489 1 97 GLY HA3 1 102 ILE MG . . 4.360 4.201 3.945 4.367 0.007 7 0 "[ . 1 . 2]" 1 1490 1 98 ALA H 1 98 ALA MB . . 3.620 2.597 2.448 2.796 . 0 0 "[ . 1 . 2]" 1 1491 1 98 ALA H 1 99 GLY H . . 4.720 2.259 1.894 3.156 . 0 0 "[ . 1 . 2]" 1 1492 1 98 ALA H 1 102 ILE H . . 4.980 4.806 4.277 4.961 . 0 0 "[ . 1 . 2]" 1 1493 1 98 ALA H 1 102 ILE HB . . 3.190 2.714 1.944 2.995 . 0 0 "[ . 1 . 2]" 1 1494 1 98 ALA H 1 102 ILE MD . . 4.730 3.796 3.487 4.765 0.035 20 0 "[ . 1 . 2]" 1 1495 1 98 ALA H 1 102 ILE MG . . 3.740 2.573 1.931 3.192 . 0 0 "[ . 1 . 2]" 1 1496 1 98 ALA HA 1 102 ILE MG . . 5.240 4.454 4.139 4.826 . 0 0 "[ . 1 . 2]" 1 1497 1 98 ALA MB 1 99 GLY HA2 . . 5.150 4.292 3.851 5.079 . 0 0 "[ . 1 . 2]" 1 1498 1 98 ALA MB 1 99 GLY HA3 . . 5.150 3.855 3.568 4.368 . 0 0 "[ . 1 . 2]" 1 1499 1 98 ALA MB 1 102 ILE HB . . 4.120 3.068 1.975 3.897 . 0 0 "[ . 1 . 2]" 1 1500 1 98 ALA MB 1 102 ILE MD . . 3.370 2.168 1.865 3.445 0.075 20 0 "[ . 1 . 2]" 1 1501 1 98 ALA MB 1 102 ILE MG . . 3.450 2.429 2.043 2.937 . 0 0 "[ . 1 . 2]" 1 1502 1 99 GLY QA 1 101 VAL QG . . 4.410 3.902 3.565 4.320 . 0 0 "[ . 1 . 2]" 1 1503 1 101 VAL H 1 101 VAL HB . . 3.890 3.453 2.432 3.678 . 0 0 "[ . 1 . 2]" 1 1504 1 101 VAL H 1 101 VAL QG . . 3.180 2.039 1.850 2.345 . 0 0 "[ . 1 . 2]" 1 1505 1 101 VAL H 1 102 ILE HB . . 5.040 4.657 4.529 4.812 . 0 0 "[ . 1 . 2]" 1 1506 1 101 VAL H 1 102 ILE MD . . 5.190 4.737 4.447 5.334 0.144 20 0 "[ . 1 . 2]" 1 1507 1 101 VAL HA 1 101 VAL QG . . 3.180 2.226 2.116 2.315 . 0 0 "[ . 1 . 2]" 1 1508 1 101 VAL HB 1 102 ILE H . . 5.240 4.271 3.012 4.452 . 0 0 "[ . 1 . 2]" 1 1509 1 101 VAL HB 1 102 ILE QG . . 4.670 4.171 2.905 4.653 . 0 0 "[ . 1 . 2]" 1 1510 1 101 VAL QG 1 102 ILE H . . 3.440 3.045 1.867 3.464 0.024 11 0 "[ . 1 . 2]" 1 1511 1 101 VAL QG 1 102 ILE MD . . 3.640 3.305 1.856 3.713 0.073 19 0 "[ . 1 . 2]" 1 1512 1 102 ILE H 1 102 ILE HB . . 3.790 2.746 2.557 3.735 . 0 0 "[ . 1 . 2]" 1 1513 1 102 ILE H 1 102 ILE MD . . 5.360 4.048 2.345 4.390 . 0 0 "[ . 1 . 2]" 1 1514 1 102 ILE H 1 102 ILE QG . . 3.910 2.840 2.592 3.095 . 0 0 "[ . 1 . 2]" 1 1515 1 102 ILE H 1 102 ILE MG . . 4.700 3.869 3.814 3.987 . 0 0 "[ . 1 . 2]" 1 1516 1 102 ILE HA 1 102 ILE MD . . 3.950 3.730 2.180 3.849 . 0 0 "[ . 1 . 2]" 1 1517 1 102 ILE HA 1 102 ILE HG12 . . 4.100 2.544 2.466 3.340 . 0 0 "[ . 1 . 2]" 1 1518 1 102 ILE HA 1 102 ILE QG . . 3.500 2.429 2.370 3.121 . 0 0 "[ . 1 . 2]" 1 1519 1 102 ILE HA 1 102 ILE HG13 . . 4.100 3.084 2.941 3.747 . 0 0 "[ . 1 . 2]" 1 1520 1 102 ILE HA 1 102 ILE MG . . 3.450 2.358 2.311 2.412 . 0 0 "[ . 1 . 2]" 1 1521 1 102 ILE HA 1 103 PRO QD . . 3.360 1.892 1.871 1.905 . 0 0 "[ . 1 . 2]" 1 1522 1 102 ILE HA 1 103 PRO QG . . 4.370 3.805 3.788 3.816 . 0 0 "[ . 1 . 2]" 1 1523 1 102 ILE HA 1 106 ALA H . . 5.480 5.330 5.288 5.701 0.221 20 0 "[ . 1 . 2]" 1 1524 1 102 ILE HA 1 106 ALA MB . . 4.620 2.888 2.854 3.115 . 0 0 "[ . 1 . 2]" 1 1525 1 102 ILE MD 1 102 ILE MG . . 2.890 1.986 1.906 2.055 . 0 0 "[ . 1 . 2]" 1 1526 1 102 ILE MD 1 103 PRO QD . . 5.280 4.848 3.296 4.961 . 0 0 "[ . 1 . 2]" 1 1527 1 102 ILE MD 1 106 ALA MB . . 4.550 4.428 3.665 4.543 . 0 0 "[ . 1 . 2]" 1 1528 1 102 ILE MD 1 108 LEU MD1 . . 4.070 3.950 3.000 4.085 0.015 17 0 "[ . 1 . 2]" 1 1529 1 102 ILE MD 1 108 LEU MD2 . . 3.310 3.102 2.660 3.318 0.008 7 0 "[ . 1 . 2]" 1 1530 1 102 ILE MD 1 108 LEU HG . . 5.500 5.258 4.621 5.517 0.017 12 0 "[ . 1 . 2]" 1 1531 1 102 ILE MG 1 103 PRO HB2 . . 5.240 5.288 5.211 5.422 0.182 20 0 "[ . 1 . 2]" 1 1532 1 102 ILE MG 1 103 PRO HD2 . . 4.290 3.149 3.026 3.271 . 0 0 "[ . 1 . 2]" 1 1533 1 102 ILE MG 1 103 PRO QD . . 3.730 3.067 2.956 3.177 . 0 0 "[ . 1 . 2]" 1 1534 1 102 ILE MG 1 103 PRO HD3 . . 4.290 4.222 4.142 4.305 0.015 1 0 "[ . 1 . 2]" 1 1535 1 102 ILE MG 1 106 ALA H . . 4.920 4.073 3.987 4.220 . 0 0 "[ . 1 . 2]" 1 1536 1 102 ILE MG 1 106 ALA HA . . 5.070 5.011 4.817 5.082 0.012 5 0 "[ . 1 . 2]" 1 1537 1 102 ILE MG 1 106 ALA MB . . 3.040 2.402 2.214 2.465 . 0 0 "[ . 1 . 2]" 1 1538 1 103 PRO HA 1 104 PRO HD2 . . 3.610 2.538 2.527 2.605 . 0 0 "[ . 1 . 2]" 1 1539 1 103 PRO HA 1 104 PRO QD . . 3.160 2.177 2.170 2.221 . 0 0 "[ . 1 . 2]" 1 1540 1 103 PRO HA 1 104 PRO HD3 . . 3.610 2.369 2.363 2.408 . 0 0 "[ . 1 . 2]" 1 1541 1 103 PRO HA 1 104 PRO HG2 . . 4.970 4.629 4.621 4.686 . 0 0 "[ . 1 . 2]" 1 1542 1 103 PRO HB2 1 104 PRO HD2 . . 3.730 2.071 1.922 2.096 . 0 0 "[ . 1 . 2]" 1 1543 1 103 PRO HB2 1 104 PRO HD3 . . 3.730 3.510 3.383 3.532 . 0 0 "[ . 1 . 2]" 1 1544 1 103 PRO HB2 1 104 PRO HG2 . . 3.790 3.718 3.604 3.738 . 0 0 "[ . 1 . 2]" 1 1545 1 103 PRO HB3 1 104 PRO QD . . 3.500 2.662 2.597 2.673 . 0 0 "[ . 1 . 2]" 1 1546 1 103 PRO QD 1 106 ALA MB . . 3.480 1.901 1.865 2.212 . 0 0 "[ . 1 . 2]" 1 1547 1 103 PRO QG 1 106 ALA MB . . 3.280 1.958 1.823 2.006 . 0 0 "[ . 1 . 2]" 1 1548 1 104 PRO HA 1 105 ASN H . . 3.550 3.334 2.153 3.415 . 0 0 "[ . 1 . 2]" 1 1549 1 104 PRO HA 1 106 ALA H . . 5.200 3.829 3.403 3.879 . 0 0 "[ . 1 . 2]" 1 1550 1 104 PRO QB 1 105 ASN H . . 4.050 3.558 3.347 3.590 . 0 0 "[ . 1 . 2]" 1 1551 1 104 PRO HB2 1 106 ALA H . . 5.500 5.268 5.034 5.300 . 0 0 "[ . 1 . 2]" 1 1552 1 104 PRO HB3 1 106 ALA H . . 5.500 5.697 5.466 5.725 0.225 17 0 "[ . 1 . 2]" 1 1553 1 104 PRO HG2 1 105 ASN H . . 4.940 3.104 2.932 4.975 0.035 20 0 "[ . 1 . 2]" 1 1554 1 104 PRO HG2 1 105 ASN HB2 . . 5.500 4.086 3.277 5.097 . 0 0 "[ . 1 . 2]" 1 1555 1 104 PRO HG2 1 105 ASN QB . . 4.660 3.371 3.218 4.090 . 0 0 "[ . 1 . 2]" 1 1556 1 104 PRO HG2 1 105 ASN HB3 . . 5.500 4.032 3.359 4.843 . 0 0 "[ . 1 . 2]" 1 1557 1 104 PRO HG3 1 105 ASN H . . 5.500 4.424 4.302 5.677 0.177 20 0 "[ . 1 . 2]" 1 1558 1 105 ASN H 1 106 ALA H . . 4.150 2.267 2.236 2.458 . 0 0 "[ . 1 . 2]" 1 1559 1 105 ASN HB2 1 106 ALA H . . 4.550 4.447 4.238 4.541 . 0 0 "[ . 1 . 2]" 1 1560 1 105 ASN HB3 1 106 ALA H . . 4.550 4.012 3.764 4.368 . 0 0 "[ . 1 . 2]" 1 1561 1 105 ASN QD 1 106 ALA H . . 5.190 4.608 3.657 5.189 . 0 0 "[ . 1 . 2]" 1 1562 1 106 ALA H 1 106 ALA MB . . 3.200 2.088 2.066 2.172 . 0 0 "[ . 1 . 2]" 1 1563 1 106 ALA H 1 107 THR H . . 4.840 4.598 4.381 4.623 . 0 0 "[ . 1 . 2]" 1 1564 1 106 ALA HA 1 107 THR H . . 2.900 2.262 2.153 2.345 . 0 0 "[ . 1 . 2]" 1 1565 1 106 ALA HA 1 107 THR HB . . 5.500 4.681 4.544 5.138 . 0 0 "[ . 1 . 2]" 1 1566 1 106 ALA HA 1 107 THR MG . . 5.500 5.421 5.191 5.487 . 0 0 "[ . 1 . 2]" 1 1567 1 106 ALA MB 1 107 THR H . . 3.670 2.840 2.661 3.382 . 0 0 "[ . 1 . 2]" 1 1568 1 107 THR H 1 107 THR HB . . 3.210 2.641 2.525 2.975 . 0 0 "[ . 1 . 2]" 1 1569 1 107 THR H 1 107 THR MG . . 4.010 3.831 3.779 3.868 . 0 0 "[ . 1 . 2]" 1 1570 1 107 THR H 1 108 LEU H . . 4.910 4.515 4.468 4.611 . 0 0 "[ . 1 . 2]" 1 1571 1 107 THR HA 1 107 THR MG . . 3.440 2.300 2.201 2.363 . 0 0 "[ . 1 . 2]" 1 1572 1 107 THR HB 1 108 LEU H . . 4.930 3.837 3.417 3.974 . 0 0 "[ . 1 . 2]" 1 1573 1 107 THR MG 1 108 LEU H . . 3.450 2.001 1.911 2.163 . 0 0 "[ . 1 . 2]" 1 1574 1 107 THR MG 1 108 LEU HG . . 4.470 4.407 4.178 4.510 0.040 3 0 "[ . 1 . 2]" 1 1575 1 107 THR MG 1 109 VAL H . . 5.290 4.372 4.161 5.078 . 0 0 "[ . 1 . 2]" 1 1576 1 108 LEU H 1 108 LEU MD1 . . 4.400 3.756 2.780 4.134 . 0 0 "[ . 1 . 2]" 1 1577 1 108 LEU H 1 108 LEU MD2 . . 4.410 3.848 3.443 4.340 . 0 0 "[ . 1 . 2]" 1 1578 1 108 LEU H 1 108 LEU HG . . 3.510 2.859 2.523 3.082 . 0 0 "[ . 1 . 2]" 1 1579 1 108 LEU H 1 109 VAL QG . . 4.950 4.341 4.177 4.465 . 0 0 "[ . 1 . 2]" 1 1580 1 108 LEU HA 1 108 LEU MD1 . . 4.540 3.902 3.814 3.979 . 0 0 "[ . 1 . 2]" 1 1581 1 108 LEU HA 1 108 LEU MD2 . . 3.370 2.421 2.104 3.144 . 0 0 "[ . 1 . 2]" 1 1582 1 108 LEU HA 1 109 VAL H . . 3.100 2.169 2.150 2.210 . 0 0 "[ . 1 . 2]" 1 1583 1 108 LEU HA 1 110 PHE QD . . 5.260 4.936 4.412 5.265 0.005 10 0 "[ . 1 . 2]" 1 1584 1 108 LEU HB2 1 108 LEU MD1 . . 3.430 2.235 1.992 2.448 . 0 0 "[ . 1 . 2]" 1 1585 1 108 LEU HB2 1 109 VAL H . . 4.300 4.060 3.826 4.183 . 0 0 "[ . 1 . 2]" 1 1586 1 108 LEU HB2 1 110 PHE QD . . 4.240 3.611 3.188 3.855 . 0 0 "[ . 1 . 2]" 1 1587 1 108 LEU HB2 1 110 PHE QE . . 4.330 2.858 2.063 3.683 . 0 0 "[ . 1 . 2]" 1 1588 1 108 LEU HB3 1 108 LEU MD1 . . 3.530 2.484 2.213 2.941 . 0 0 "[ . 1 . 2]" 1 1589 1 108 LEU HB3 1 109 VAL H . . 4.100 3.173 2.995 3.294 . 0 0 "[ . 1 . 2]" 1 1590 1 108 LEU HB3 1 110 PHE QD . . 5.140 3.522 2.904 3.950 . 0 0 "[ . 1 . 2]" 1 1591 1 108 LEU HB3 1 110 PHE QE . . 4.070 2.386 2.079 2.862 . 0 0 "[ . 1 . 2]" 1 1592 1 108 LEU MD1 1 110 PHE QD . . 5.500 4.526 4.002 4.844 . 0 0 "[ . 1 . 2]" 1 1593 1 108 LEU MD1 1 110 PHE QE . . 3.600 2.872 2.067 3.500 . 0 0 "[ . 1 . 2]" 1 1594 1 108 LEU MD1 1 110 PHE HZ . . 5.500 3.938 2.671 4.861 . 0 0 "[ . 1 . 2]" 1 1595 1 108 LEU MD2 1 109 VAL H . . 4.800 3.810 3.517 4.277 . 0 0 "[ . 1 . 2]" 1 1596 1 109 VAL H 1 109 VAL HB . . 3.730 2.903 2.683 3.742 0.012 19 0 "[ . 1 . 2]" 1 1597 1 109 VAL H 1 109 VAL MG1 . . 3.800 3.727 2.733 3.865 0.065 6 0 "[ . 1 . 2]" 1 1598 1 109 VAL H 1 109 VAL QG . . 3.280 2.146 1.946 2.429 . 0 0 "[ . 1 . 2]" 1 1599 1 109 VAL H 1 109 VAL MG2 . . 3.800 2.163 1.952 2.456 . 0 0 "[ . 1 . 2]" 1 1600 1 109 VAL H 1 110 PHE QD . . 4.970 4.152 3.776 4.598 . 0 0 "[ . 1 . 2]" 1 1601 1 109 VAL HA 1 109 VAL MG1 . . 3.680 2.124 2.013 2.324 . 0 0 "[ . 1 . 2]" 1 1602 1 109 VAL HA 1 109 VAL MG2 . . 3.680 2.623 2.427 3.188 . 0 0 "[ . 1 . 2]" 1 1603 1 109 VAL HA 1 110 PHE H . . 3.090 2.234 2.141 2.280 . 0 0 "[ . 1 . 2]" 1 1604 1 109 VAL HB 1 110 PHE H . . 4.220 3.619 2.928 4.224 0.004 5 0 "[ . 1 . 2]" 1 1605 1 109 VAL QG 1 110 PHE H . . 3.960 2.352 1.916 3.429 . 0 0 "[ . 1 . 2]" 1 1606 1 109 VAL QG 1 110 PHE HA . . 4.540 3.864 3.673 4.103 . 0 0 "[ . 1 . 2]" 1 1607 1 109 VAL QG 1 111 GLU H . . 5.440 4.655 4.427 4.867 . 0 0 "[ . 1 . 2]" 1 1608 1 109 VAL QG 1 111 GLU HA . . 5.160 4.665 4.420 5.286 0.126 19 0 "[ . 1 . 2]" 1 1609 1 109 VAL MG1 1 110 PHE H . . 4.820 2.414 1.920 3.938 . 0 0 "[ . 1 . 2]" 1 1610 1 109 VAL MG2 1 110 PHE H . . 4.820 4.106 3.765 4.325 . 0 0 "[ . 1 . 2]" 1 1611 1 110 PHE H 1 110 PHE HB2 . . 4.060 2.674 2.423 2.794 . 0 0 "[ . 1 . 2]" 1 1612 1 110 PHE H 1 110 PHE QD . . 4.240 3.311 2.953 3.753 . 0 0 "[ . 1 . 2]" 1 1613 1 110 PHE HA 1 110 PHE QD . . 3.940 2.994 2.848 3.062 . 0 0 "[ . 1 . 2]" 1 1614 1 110 PHE HA 1 111 GLU H . . 3.280 2.181 2.168 2.231 . 0 0 "[ . 1 . 2]" 1 1615 1 110 PHE HB2 1 111 GLU H . . 4.710 4.265 4.158 4.353 . 0 0 "[ . 1 . 2]" 1 1616 1 110 PHE HB2 1 112 VAL MG2 . . 4.260 4.047 3.834 4.288 0.028 7 0 "[ . 1 . 2]" 1 1617 1 110 PHE HB3 1 111 GLU H . . 4.050 3.173 2.966 3.282 . 0 0 "[ . 1 . 2]" 1 1618 1 110 PHE HB3 1 112 VAL MG1 . . 5.500 5.467 4.709 5.568 0.068 3 0 "[ . 1 . 2]" 1 1619 1 110 PHE HB3 1 112 VAL MG2 . . 4.020 3.463 3.225 3.701 . 0 0 "[ . 1 . 2]" 1 1620 1 110 PHE QD 1 111 GLU H . . 4.240 3.818 3.423 4.026 . 0 0 "[ . 1 . 2]" 1 1621 1 111 GLU H 1 111 GLU HB2 . . 3.880 2.667 2.469 3.005 . 0 0 "[ . 1 . 2]" 1 1622 1 111 GLU H 1 111 GLU HB3 . . 3.880 2.643 2.382 2.889 . 0 0 "[ . 1 . 2]" 1 1623 1 111 GLU H 1 111 GLU HG2 . . 4.900 4.453 4.367 4.531 . 0 0 "[ . 1 . 2]" 1 1624 1 111 GLU H 1 111 GLU QG . . 4.230 4.053 3.996 4.130 . 0 0 "[ . 1 . 2]" 1 1625 1 111 GLU H 1 111 GLU HG3 . . 4.900 4.663 4.544 4.774 . 0 0 "[ . 1 . 2]" 1 1626 1 111 GLU H 1 112 VAL MG2 . . 5.310 4.403 4.215 4.587 . 0 0 "[ . 1 . 2]" 1 1627 1 111 GLU HA 1 111 GLU QG . . 3.500 2.337 2.148 2.523 . 0 0 "[ . 1 . 2]" 1 1628 1 111 GLU HA 1 112 VAL H . . 3.030 2.151 2.138 2.237 . 0 0 "[ . 1 . 2]" 1 1629 1 111 GLU HA 1 112 VAL HB . . 5.150 4.858 4.776 5.198 0.048 18 0 "[ . 1 . 2]" 1 1630 1 111 GLU HA 1 112 VAL MG2 . . 4.840 3.430 3.197 3.650 . 0 0 "[ . 1 . 2]" 1 1631 1 111 GLU QG 1 112 VAL H . . 3.830 2.902 2.332 3.659 . 0 0 "[ . 1 . 2]" 1 1632 1 112 VAL H 1 112 VAL HB . . 3.520 2.782 2.648 3.078 . 0 0 "[ . 1 . 2]" 1 1633 1 112 VAL H 1 112 VAL MG1 . . 4.470 3.863 3.765 3.958 . 0 0 "[ . 1 . 2]" 1 1634 1 112 VAL H 1 112 VAL MG2 . . 3.750 2.298 1.953 2.541 . 0 0 "[ . 1 . 2]" 1 1635 1 112 VAL H 1 113 GLU H . . 4.770 4.417 4.277 4.486 . 0 0 "[ . 1 . 2]" 1 1636 1 112 VAL HA 1 113 GLU H . . 3.080 2.155 2.143 2.176 . 0 0 "[ . 1 . 2]" 1 1637 1 112 VAL HB 1 113 GLU H . . 5.500 3.997 3.702 4.144 . 0 0 "[ . 1 . 2]" 1 1638 1 112 VAL MG1 1 113 GLU H . . 3.760 2.579 2.470 2.731 . 0 0 "[ . 1 . 2]" 1 1639 1 112 VAL MG2 1 113 GLU H . . 4.620 4.206 4.126 4.367 . 0 0 "[ . 1 . 2]" 1 1640 1 113 GLU H 1 113 GLU HB2 . . 4.020 3.553 2.892 3.825 . 0 0 "[ . 1 . 2]" 1 1641 1 113 GLU H 1 113 GLU QB . . 3.480 2.894 2.514 3.211 . 0 0 "[ . 1 . 2]" 1 1642 1 113 GLU H 1 113 GLU HB3 . . 4.020 3.145 2.594 3.877 . 0 0 "[ . 1 . 2]" 1 1643 1 113 GLU H 1 113 GLU HG2 . . 4.690 3.075 2.068 4.400 . 0 0 "[ . 1 . 2]" 1 1644 1 113 GLU H 1 113 GLU QG . . 3.990 2.811 2.050 4.003 0.013 19 0 "[ . 1 . 2]" 1 1645 1 113 GLU H 1 113 GLU HG3 . . 4.690 3.633 2.232 4.635 . 0 0 "[ . 1 . 2]" 1 1646 1 113 GLU H 1 114 LEU H . . 4.950 4.027 3.912 4.158 . 0 0 "[ . 1 . 2]" 1 1647 1 113 GLU H 1 115 LEU QD . . 5.440 4.456 4.237 4.752 . 0 0 "[ . 1 . 2]" 1 1648 1 113 GLU HA 1 113 GLU QG . . 3.660 2.984 2.485 3.369 . 0 0 "[ . 1 . 2]" 1 1649 1 113 GLU HA 1 114 LEU H . . 3.140 2.158 2.139 2.181 . 0 0 "[ . 1 . 2]" 1 1650 1 114 LEU H 1 114 LEU HB2 . . 3.750 2.287 2.136 2.863 . 0 0 "[ . 1 . 2]" 1 1651 1 114 LEU H 1 114 LEU QB . . 3.120 2.157 2.092 2.249 . 0 0 "[ . 1 . 2]" 1 1652 1 114 LEU H 1 114 LEU HB3 . . 3.750 2.833 2.297 2.992 . 0 0 "[ . 1 . 2]" 1 1653 1 114 LEU H 1 114 LEU MD1 . . 5.000 4.138 4.029 4.217 . 0 0 "[ . 1 . 2]" 1 1654 1 114 LEU H 1 114 LEU QD . . 4.030 3.557 3.286 3.759 . 0 0 "[ . 1 . 2]" 1 1655 1 114 LEU H 1 114 LEU MD2 . . 5.000 3.930 3.436 4.309 . 0 0 "[ . 1 . 2]" 1 1656 1 114 LEU H 1 114 LEU HG . . 4.830 4.409 4.062 4.639 . 0 0 "[ . 1 . 2]" 1 1657 1 114 LEU H 1 115 LEU H . . 5.480 4.517 4.464 4.564 . 0 0 "[ . 1 . 2]" 1 1658 1 114 LEU HA 1 115 LEU H . . 3.230 2.149 2.141 2.162 . 0 0 "[ . 1 . 2]" 1 1659 1 114 LEU HA 1 115 LEU QD . . 3.420 3.373 2.941 3.470 0.050 8 0 "[ . 1 . 2]" 1 1660 1 114 LEU QD 1 115 LEU H . . 3.410 2.139 1.876 2.637 . 0 0 "[ . 1 . 2]" 1 1661 1 114 LEU QD 1 116 ASP H . . 3.450 2.176 1.889 2.488 . 0 0 "[ . 1 . 2]" 1 1662 1 114 LEU QD 1 117 VAL H . . 4.270 3.715 3.010 4.157 . 0 0 "[ . 1 . 2]" 1 1663 1 114 LEU QD 1 117 VAL HA . . 3.930 3.368 2.977 3.725 . 0 0 "[ . 1 . 2]" 1 1664 1 114 LEU HG 1 115 LEU H . . 4.420 4.045 3.569 4.569 0.149 11 0 "[ . 1 . 2]" 1 1665 1 114 LEU HG 1 116 ASP H . . 4.830 4.515 3.523 4.847 0.017 17 0 "[ . 1 . 2]" 1 1666 1 115 LEU H 1 115 LEU QB . . 3.590 2.541 2.252 2.749 . 0 0 "[ . 1 . 2]" 1 1667 1 115 LEU H 1 115 LEU MD1 . . 4.400 3.107 1.999 3.996 . 0 0 "[ . 1 . 2]" 1 1668 1 115 LEU H 1 115 LEU QD . . 3.560 2.572 1.994 2.900 . 0 0 "[ . 1 . 2]" 1 1669 1 115 LEU H 1 115 LEU MD2 . . 4.400 3.549 2.624 4.342 . 0 0 "[ . 1 . 2]" 1 1670 1 115 LEU H 1 115 LEU HG . . 3.620 2.831 1.985 3.605 . 0 0 "[ . 1 . 2]" 1 1671 1 115 LEU H 1 116 ASP H . . 3.340 2.282 2.115 2.475 . 0 0 "[ . 1 . 2]" 1 1672 1 115 LEU HA 1 115 LEU MD1 . . 4.120 3.665 3.298 3.940 . 0 0 "[ . 1 . 2]" 1 1673 1 115 LEU HA 1 115 LEU QD . . 3.390 2.673 2.221 3.145 . 0 0 "[ . 1 . 2]" 1 1674 1 115 LEU HA 1 115 LEU MD2 . . 4.120 2.871 2.236 3.616 . 0 0 "[ . 1 . 2]" 1 1675 1 115 LEU QB 1 115 LEU MD1 . . 3.220 2.022 1.921 2.088 . 0 0 "[ . 1 . 2]" 1 1676 1 115 LEU QB 1 115 LEU QD . . 2.760 1.849 1.733 1.949 . 0 0 "[ . 1 . 2]" 1 1677 1 115 LEU QB 1 115 LEU MD2 . . 3.220 2.156 1.930 2.366 . 0 0 "[ . 1 . 2]" 1 1678 1 115 LEU QB 1 116 ASP H . . 3.450 2.447 2.225 2.676 . 0 0 "[ . 1 . 2]" 1 1679 1 115 LEU QB 1 116 ASP QB . . 4.190 3.200 3.094 3.250 . 0 0 "[ . 1 . 2]" 1 1680 1 115 LEU QD 1 116 ASP H . . 5.440 3.687 3.167 3.984 . 0 0 "[ . 1 . 2]" 1 1681 1 115 LEU HG 1 116 ASP H . . 5.020 4.245 3.533 4.818 . 0 0 "[ . 1 . 2]" 1 1682 1 116 ASP H 1 116 ASP QB . . 3.570 2.909 2.792 2.974 . 0 0 "[ . 1 . 2]" 1 1683 1 116 ASP HA 1 117 VAL H . . 2.750 2.373 2.206 2.477 . 0 0 "[ . 1 . 2]" 1 1684 1 116 ASP HA 1 117 VAL QG . . 4.490 3.302 3.208 3.396 . 0 0 "[ . 1 . 2]" 1 1685 1 116 ASP QB 1 117 VAL H . . 3.700 3.217 2.707 3.586 . 0 0 "[ . 1 . 2]" 1 1686 1 116 ASP QB 1 117 VAL MG1 . . 5.500 4.854 4.521 5.510 0.010 14 0 "[ . 1 . 2]" 1 1687 1 116 ASP QB 1 117 VAL QG . . 4.770 4.109 3.767 4.262 . 0 0 "[ . 1 . 2]" 1 1688 1 116 ASP QB 1 117 VAL MG2 . . 5.500 4.450 4.031 4.747 . 0 0 "[ . 1 . 2]" 1 1689 1 117 VAL H 1 117 VAL HB . . 3.830 3.645 2.869 3.774 . 0 0 "[ . 1 . 2]" 1 1690 1 117 VAL H 1 117 VAL QG . . 3.190 1.971 1.869 2.120 . 0 0 "[ . 1 . 2]" 1 1691 1 117 VAL HA 1 117 VAL QG . . 3.120 2.246 2.111 2.327 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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