NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
416297 | 2diy | 11108 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2diy 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 2794 _Distance_constraint_stats_list.Viol_count 609 _Distance_constraint_stats_list.Viol_total 100.805 _Distance_constraint_stats_list.Viol_max 0.125 _Distance_constraint_stats_list.Viol_rms 0.0018 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0083 _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 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 VAL 0.125 0.061 2 0 "[ . 1 . 2]" 1 18 ALA 0.125 0.061 2 0 "[ . 1 . 2]" 1 19 ALA 0.009 0.003 13 0 "[ . 1 . 2]" 1 20 VAL 0.023 0.006 19 0 "[ . 1 . 2]" 1 21 GLU 0.002 0.002 16 0 "[ . 1 . 2]" 1 22 GLU 0.030 0.016 10 0 "[ . 1 . 2]" 1 23 VAL 0.101 0.059 16 0 "[ . 1 . 2]" 1 24 GLY 0.008 0.008 16 0 "[ . 1 . 2]" 1 25 SER 0.012 0.007 5 0 "[ . 1 . 2]" 1 26 ALA 0.008 0.006 15 0 "[ . 1 . 2]" 1 27 GLY 0.005 0.002 6 0 "[ . 1 . 2]" 1 28 GLN 0.013 0.008 16 0 "[ . 1 . 2]" 1 29 PHE 0.109 0.059 16 0 "[ . 1 . 2]" 1 30 GLU 0.008 0.003 7 0 "[ . 1 . 2]" 1 31 GLU 0.073 0.045 4 0 "[ . 1 . 2]" 1 32 LEU 0.039 0.026 4 0 "[ . 1 . 2]" 1 33 LEU 0.012 0.009 17 0 "[ . 1 . 2]" 1 34 ARG 0.026 0.018 4 0 "[ . 1 . 2]" 1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 LYS 0.028 0.010 16 0 "[ . 1 . 2]" 1 37 ALA 0.011 0.006 16 0 "[ . 1 . 2]" 1 38 LYS 0.178 0.044 13 0 "[ . 1 . 2]" 1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 LEU 0.074 0.026 8 0 "[ . 1 . 2]" 1 41 LEU 0.052 0.012 17 0 "[ . 1 . 2]" 1 42 VAL 0.010 0.005 17 0 "[ . 1 . 2]" 1 43 VAL 0.038 0.012 17 0 "[ . 1 . 2]" 1 44 HIS 0.018 0.007 16 0 "[ . 1 . 2]" 1 45 PHE 0.236 0.094 15 0 "[ . 1 . 2]" 1 46 TRP 0.066 0.029 1 0 "[ . 1 . 2]" 1 47 ALA 0.029 0.013 16 0 "[ . 1 . 2]" 1 48 PRO 0.012 0.010 15 0 "[ . 1 . 2]" 1 49 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 PRO 0.003 0.003 18 0 "[ . 1 . 2]" 1 52 GLN 0.076 0.033 18 0 "[ . 1 . 2]" 1 53 CYS 0.035 0.014 15 0 "[ . 1 . 2]" 1 54 ALA 0.453 0.110 20 0 "[ . 1 . 2]" 1 55 GLN 0.682 0.117 15 0 "[ . 1 . 2]" 1 56 MET 0.373 0.117 15 0 "[ . 1 . 2]" 1 57 ASN 0.161 0.110 20 0 "[ . 1 . 2]" 1 58 GLU 0.001 0.001 12 0 "[ . 1 . 2]" 1 59 VAL 0.067 0.013 17 0 "[ . 1 . 2]" 1 60 MET 0.067 0.020 16 0 "[ . 1 . 2]" 1 61 ALA 0.070 0.013 13 0 "[ . 1 . 2]" 1 62 GLU 0.014 0.013 13 0 "[ . 1 . 2]" 1 63 LEU 0.111 0.015 16 0 "[ . 1 . 2]" 1 64 ALA 0.095 0.015 5 0 "[ . 1 . 2]" 1 65 LYS 0.064 0.013 13 0 "[ . 1 . 2]" 1 66 GLU 0.071 0.015 16 0 "[ . 1 . 2]" 1 67 LEU 0.012 0.009 4 0 "[ . 1 . 2]" 1 68 PRO 0.069 0.012 12 0 "[ . 1 . 2]" 1 69 GLN 0.053 0.012 12 0 "[ . 1 . 2]" 1 70 VAL 0.072 0.015 5 0 "[ . 1 . 2]" 1 71 SER 0.039 0.026 16 0 "[ . 1 . 2]" 1 72 PHE 0.087 0.020 16 0 "[ . 1 . 2]" 1 73 VAL 0.047 0.013 16 0 "[ . 1 . 2]" 1 74 LYS 0.010 0.005 5 0 "[ . 1 . 2]" 1 75 LEU 0.038 0.008 17 0 "[ . 1 . 2]" 1 76 GLU 0.059 0.029 1 0 "[ . 1 . 2]" 1 77 ALA 0.020 0.008 17 0 "[ . 1 . 2]" 1 78 GLU 0.015 0.013 1 0 "[ . 1 . 2]" 1 79 GLY 0.012 0.012 1 0 "[ . 1 . 2]" 1 80 VAL 0.032 0.008 16 0 "[ . 1 . 2]" 1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 GLU 0.017 0.007 7 0 "[ . 1 . 2]" 1 83 VAL 0.016 0.006 15 0 "[ . 1 . 2]" 1 84 SER 0.003 0.002 19 0 "[ . 1 . 2]" 1 85 GLU 0.054 0.051 8 0 "[ . 1 . 2]" 1 86 LYS 0.103 0.051 8 0 "[ . 1 . 2]" 1 87 TYR 0.145 0.021 15 0 "[ . 1 . 2]" 1 88 GLU 0.118 0.021 15 0 "[ . 1 . 2]" 1 89 ILE 0.300 0.094 15 0 "[ . 1 . 2]" 1 90 SER 0.102 0.013 5 0 "[ . 1 . 2]" 1 91 SER 0.168 0.062 10 0 "[ . 1 . 2]" 1 92 VAL 0.099 0.062 10 0 "[ . 1 . 2]" 1 93 PRO 0.041 0.010 14 0 "[ . 1 . 2]" 1 94 THR 0.158 0.051 14 0 "[ . 1 . 2]" 1 95 PHE 0.128 0.034 16 0 "[ . 1 . 2]" 1 96 LEU 0.287 0.076 14 0 "[ . 1 . 2]" 1 97 PHE 0.052 0.008 16 0 "[ . 1 . 2]" 1 98 PHE 0.029 0.010 14 0 "[ . 1 . 2]" 1 99 LYS 0.286 0.073 17 0 "[ . 1 . 2]" 1 100 ASN 0.114 0.046 17 0 "[ . 1 . 2]" 1 101 SER 0.012 0.009 17 0 "[ . 1 . 2]" 1 102 GLN 0.089 0.017 8 0 "[ . 1 . 2]" 1 103 LYS 0.024 0.018 17 0 "[ . 1 . 2]" 1 104 ILE 0.280 0.073 17 0 "[ . 1 . 2]" 1 105 ASP 0.062 0.036 18 0 "[ . 1 . 2]" 1 106 ARG 0.647 0.125 18 0 "[ . 1 . 2]" 1 107 LEU 0.090 0.012 17 0 "[ . 1 . 2]" 1 108 ASP 0.004 0.003 15 0 "[ . 1 . 2]" 1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 ALA 0.036 0.021 15 0 "[ . 1 . 2]" 1 111 HIS 0.242 0.032 3 0 "[ . 1 . 2]" 1 112 ALA 0.156 0.017 19 0 "[ . 1 . 2]" 1 113 PRO 0.235 0.032 3 0 "[ . 1 . 2]" 1 114 GLU 0.061 0.012 17 0 "[ . 1 . 2]" 1 115 LEU 0.097 0.017 19 0 "[ . 1 . 2]" 1 116 THR 0.079 0.011 17 0 "[ . 1 . 2]" 1 117 LYS 0.086 0.029 15 0 "[ . 1 . 2]" 1 118 LYS 0.042 0.009 17 0 "[ . 1 . 2]" 1 119 VAL 0.031 0.007 17 0 "[ . 1 . 2]" 1 120 GLN 0.041 0.010 8 0 "[ . 1 . 2]" 1 121 ARG 0.007 0.003 18 0 "[ . 1 . 2]" 1 122 HIS 0.012 0.006 16 0 "[ . 1 . 2]" 1 123 ALA 0.064 0.016 16 0 "[ . 1 . 2]" 1 124 SER 0.104 0.026 8 0 "[ . 1 . 2]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 GLY 0.071 0.035 14 0 "[ . 1 . 2]" 1 127 PRO 0.071 0.035 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 9 ALA H 1 9 ALA MB . . 3.560 2.374 2.023 2.917 . 0 0 "[ . 1 . 2]" 1 2 1 10 ALA MB 1 11 GLY QA . . 5.140 3.787 3.393 4.159 . 0 0 "[ . 1 . 2]" 1 3 1 11 GLY QA 1 12 ALA MB . . 5.500 3.832 3.445 4.119 . 0 0 "[ . 1 . 2]" 1 4 1 13 ALA HA 1 14 GLU H . . 3.280 2.264 2.142 2.793 . 0 0 "[ . 1 . 2]" 1 5 1 13 ALA HA 1 14 GLU QB . . 5.340 4.304 3.988 4.873 . 0 0 "[ . 1 . 2]" 1 6 1 13 ALA MB 1 14 GLU H . . 4.100 3.160 2.188 3.689 . 0 0 "[ . 1 . 2]" 1 7 1 13 ALA MB 1 14 GLU HA . . 5.150 4.175 3.773 4.595 . 0 0 "[ . 1 . 2]" 1 8 1 14 GLU H 1 14 GLU QB . . 3.590 2.604 2.242 3.347 . 0 0 "[ . 1 . 2]" 1 9 1 14 GLU H 1 14 GLU QG . . 4.560 3.353 1.909 4.244 . 0 0 "[ . 1 . 2]" 1 10 1 14 GLU HA 1 14 GLU QG . . 3.650 2.710 2.172 3.465 . 0 0 "[ . 1 . 2]" 1 11 1 14 GLU HA 1 15 ALA H . . 3.120 2.227 2.139 2.465 . 0 0 "[ . 1 . 2]" 1 12 1 14 GLU HA 1 15 ALA MB . . 5.500 3.953 3.733 4.122 . 0 0 "[ . 1 . 2]" 1 13 1 14 GLU QB 1 15 ALA H . . 4.060 3.240 2.300 4.007 . 0 0 "[ . 1 . 2]" 1 14 1 14 GLU HB2 1 15 ALA H . . 4.850 3.896 2.639 4.580 . 0 0 "[ . 1 . 2]" 1 15 1 14 GLU HB3 1 15 ALA H . . 4.850 3.700 2.321 4.424 . 0 0 "[ . 1 . 2]" 1 16 1 15 ALA H 1 15 ALA MB . . 3.330 2.313 2.066 2.736 . 0 0 "[ . 1 . 2]" 1 17 1 15 ALA HA 1 16 ALA H . . 3.080 2.279 2.141 2.835 . 0 0 "[ . 1 . 2]" 1 18 1 16 ALA H 1 16 ALA MB . . 3.170 2.547 2.163 2.862 . 0 0 "[ . 1 . 2]" 1 19 1 16 ALA HA 1 17 VAL H . . 2.830 2.192 2.141 2.503 . 0 0 "[ . 1 . 2]" 1 20 1 16 ALA HA 1 17 VAL HB . . 5.500 4.662 4.494 4.791 . 0 0 "[ . 1 . 2]" 1 21 1 16 ALA HA 1 17 VAL QG . . 4.790 3.603 3.226 4.156 . 0 0 "[ . 1 . 2]" 1 22 1 16 ALA MB 1 17 VAL H . . 3.440 3.086 2.170 3.419 . 0 0 "[ . 1 . 2]" 1 23 1 16 ALA MB 1 17 VAL HA . . 4.500 4.173 4.064 4.306 . 0 0 "[ . 1 . 2]" 1 24 1 16 ALA MB 1 17 VAL HB . . 5.500 5.142 4.445 5.471 . 0 0 "[ . 1 . 2]" 1 25 1 16 ALA MB 1 68 PRO HB2 . . 4.760 4.007 2.664 4.576 . 0 0 "[ . 1 . 2]" 1 26 1 16 ALA MB 1 68 PRO QB . . 4.060 3.595 2.548 4.016 . 0 0 "[ . 1 . 2]" 1 27 1 16 ALA MB 1 68 PRO HB3 . . 4.760 4.190 2.989 4.739 . 0 0 "[ . 1 . 2]" 1 28 1 17 VAL H 1 17 VAL HB . . 3.370 2.601 2.499 2.833 . 0 0 "[ . 1 . 2]" 1 29 1 17 VAL H 1 17 VAL MG1 . . 4.560 3.759 2.463 3.891 . 0 0 "[ . 1 . 2]" 1 30 1 17 VAL H 1 17 VAL QG . . 3.930 2.549 2.370 2.780 . 0 0 "[ . 1 . 2]" 1 31 1 17 VAL H 1 17 VAL MG2 . . 4.560 2.663 2.394 3.920 . 0 0 "[ . 1 . 2]" 1 32 1 17 VAL H 1 18 ALA H . . 4.490 4.445 4.297 4.547 0.057 9 0 "[ . 1 . 2]" 1 33 1 17 VAL HA 1 17 VAL MG1 . . 3.710 2.400 2.278 3.156 . 0 0 "[ . 1 . 2]" 1 34 1 17 VAL HA 1 17 VAL MG2 . . 3.710 2.379 2.208 2.528 . 0 0 "[ . 1 . 2]" 1 35 1 17 VAL HA 1 18 ALA H . . 2.730 2.175 2.141 2.356 . 0 0 "[ . 1 . 2]" 1 36 1 17 VAL HA 1 18 ALA MB . . 4.770 3.898 3.739 3.955 . 0 0 "[ . 1 . 2]" 1 37 1 17 VAL HB 1 18 ALA H . . 4.270 4.112 3.923 4.248 . 0 0 "[ . 1 . 2]" 1 38 1 17 VAL HB 1 18 ALA HA . . 5.500 4.909 4.726 5.561 0.061 2 0 "[ . 1 . 2]" 1 39 1 17 VAL HB 1 18 ALA MB . . 5.500 5.403 5.278 5.492 . 0 0 "[ . 1 . 2]" 1 40 1 17 VAL QG 1 18 ALA H . . 4.020 2.352 1.857 2.706 . 0 0 "[ . 1 . 2]" 1 41 1 17 VAL QG 1 18 ALA HA . . 4.910 3.710 3.032 3.941 . 0 0 "[ . 1 . 2]" 1 42 1 17 VAL QG 1 19 ALA H . . 4.790 2.128 1.805 4.140 . 0 0 "[ . 1 . 2]" 1 43 1 17 VAL MG1 1 18 ALA H . . 4.720 2.433 2.089 3.105 . 0 0 "[ . 1 . 2]" 1 44 1 17 VAL MG1 1 19 ALA H . . 5.500 2.154 1.807 4.602 . 0 0 "[ . 1 . 2]" 1 45 1 17 VAL MG2 1 18 ALA H . . 4.720 3.920 1.872 4.181 . 0 0 "[ . 1 . 2]" 1 46 1 17 VAL MG2 1 19 ALA H . . 5.500 4.545 4.312 4.808 . 0 0 "[ . 1 . 2]" 1 47 1 18 ALA H 1 18 ALA MB . . 3.030 2.330 2.103 2.853 . 0 0 "[ . 1 . 2]" 1 48 1 18 ALA HA 1 19 ALA H . . 3.260 2.742 2.189 2.911 . 0 0 "[ . 1 . 2]" 1 49 1 18 ALA HA 1 64 ALA MB . . 4.820 3.040 2.519 4.188 . 0 0 "[ . 1 . 2]" 1 50 1 18 ALA MB 1 65 LYS HA . . 3.640 2.021 1.802 2.690 . 0 0 "[ . 1 . 2]" 1 51 1 18 ALA MB 1 65 LYS QB . . 5.110 2.644 1.768 3.553 . 0 0 "[ . 1 . 2]" 1 52 1 19 ALA H 1 19 ALA MB . . 3.320 2.459 2.354 2.531 . 0 0 "[ . 1 . 2]" 1 53 1 19 ALA H 1 20 VAL H . . 4.680 4.478 4.449 4.523 . 0 0 "[ . 1 . 2]" 1 54 1 19 ALA H 1 64 ALA MB . . 4.900 3.855 3.538 4.193 . 0 0 "[ . 1 . 2]" 1 55 1 19 ALA HA 1 20 VAL H . . 2.870 2.290 2.244 2.309 . 0 0 "[ . 1 . 2]" 1 56 1 19 ALA HA 1 20 VAL HB . . 4.900 4.750 4.536 4.880 . 0 0 "[ . 1 . 2]" 1 57 1 19 ALA HA 1 20 VAL QG . . 4.280 3.594 3.397 3.860 . 0 0 "[ . 1 . 2]" 1 58 1 19 ALA HA 1 64 ALA MB . . 5.100 3.286 2.345 3.873 . 0 0 "[ . 1 . 2]" 1 59 1 19 ALA MB 1 20 VAL H . . 3.330 2.721 2.580 2.866 . 0 0 "[ . 1 . 2]" 1 60 1 19 ALA MB 1 21 GLU H . . 5.250 4.892 4.337 5.246 . 0 0 "[ . 1 . 2]" 1 61 1 19 ALA MB 1 61 ALA HA . . 5.450 5.406 5.200 5.453 0.003 13 0 "[ . 1 . 2]" 1 62 1 20 VAL H 1 20 VAL HB . . 3.030 2.553 2.467 2.821 . 0 0 "[ . 1 . 2]" 1 63 1 20 VAL H 1 20 VAL QG . . 3.100 2.280 1.963 2.496 . 0 0 "[ . 1 . 2]" 1 64 1 20 VAL H 1 21 GLU H . . 4.760 4.474 4.260 4.601 . 0 0 "[ . 1 . 2]" 1 65 1 20 VAL H 1 61 ALA HA . . 4.590 4.198 3.682 4.511 . 0 0 "[ . 1 . 2]" 1 66 1 20 VAL H 1 61 ALA MB . . 4.940 4.445 3.970 4.730 . 0 0 "[ . 1 . 2]" 1 67 1 20 VAL H 1 64 ALA MB . . 5.080 3.974 2.822 4.573 . 0 0 "[ . 1 . 2]" 1 68 1 20 VAL HA 1 20 VAL QG . . 2.880 2.147 2.061 2.393 . 0 0 "[ . 1 . 2]" 1 69 1 20 VAL HA 1 21 GLU H . . 2.770 2.160 2.142 2.216 . 0 0 "[ . 1 . 2]" 1 70 1 20 VAL HA 1 60 MET ME . . 4.910 4.364 4.027 4.708 . 0 0 "[ . 1 . 2]" 1 71 1 20 VAL HA 1 64 ALA MB . . 4.940 4.078 3.199 4.452 . 0 0 "[ . 1 . 2]" 1 72 1 20 VAL HA 1 72 PHE H . . 5.150 4.247 3.401 4.673 . 0 0 "[ . 1 . 2]" 1 73 1 20 VAL HA 1 72 PHE HB2 . . 4.100 3.085 2.571 3.461 . 0 0 "[ . 1 . 2]" 1 74 1 20 VAL HA 1 72 PHE HB3 . . 4.560 3.833 3.471 4.339 . 0 0 "[ . 1 . 2]" 1 75 1 20 VAL HA 1 73 VAL HA . . 4.360 3.917 3.500 4.358 . 0 0 "[ . 1 . 2]" 1 76 1 20 VAL HA 1 73 VAL MG1 . . 4.730 4.463 4.159 4.696 . 0 0 "[ . 1 . 2]" 1 77 1 20 VAL HB 1 74 LYS QD . . 4.270 3.256 2.516 4.275 0.005 5 0 "[ . 1 . 2]" 1 78 1 20 VAL QG 1 21 GLU H . . 3.410 2.601 1.926 3.087 . 0 0 "[ . 1 . 2]" 1 79 1 20 VAL QG 1 21 GLU HA . . 4.480 3.878 3.523 4.063 . 0 0 "[ . 1 . 2]" 1 80 1 20 VAL QG 1 22 GLU H . . 4.730 4.606 4.308 4.732 0.002 16 0 "[ . 1 . 2]" 1 81 1 20 VAL QG 1 23 VAL H . . 5.500 5.106 4.847 5.498 . 0 0 "[ . 1 . 2]" 1 82 1 20 VAL QG 1 60 MET HA . . 5.080 4.487 4.263 5.036 . 0 0 "[ . 1 . 2]" 1 83 1 20 VAL QG 1 60 MET HB2 . . 3.950 3.046 2.604 3.780 . 0 0 "[ . 1 . 2]" 1 84 1 20 VAL QG 1 60 MET HB3 . . 3.760 2.592 2.214 3.372 . 0 0 "[ . 1 . 2]" 1 85 1 20 VAL QG 1 60 MET ME . . 2.740 1.906 1.696 2.171 . 0 0 "[ . 1 . 2]" 1 86 1 20 VAL QG 1 60 MET HG3 . . 4.940 4.505 4.139 4.937 . 0 0 "[ . 1 . 2]" 1 87 1 20 VAL QG 1 61 ALA H . . 4.010 3.377 3.043 3.794 . 0 0 "[ . 1 . 2]" 1 88 1 20 VAL QG 1 61 ALA HA . . 3.310 2.770 2.304 3.113 . 0 0 "[ . 1 . 2]" 1 89 1 20 VAL QG 1 61 ALA MB . . 3.440 3.233 2.899 3.443 0.003 11 0 "[ . 1 . 2]" 1 90 1 20 VAL QG 1 64 ALA H . . 4.910 4.491 4.200 4.916 0.006 19 0 "[ . 1 . 2]" 1 91 1 20 VAL QG 1 64 ALA HA . . 5.290 4.947 4.495 5.290 0.000 19 0 "[ . 1 . 2]" 1 92 1 20 VAL QG 1 64 ALA MB . . 3.370 2.942 2.524 3.339 . 0 0 "[ . 1 . 2]" 1 93 1 20 VAL QG 1 72 PHE H . . 4.430 4.209 3.899 4.432 0.002 20 0 "[ . 1 . 2]" 1 94 1 20 VAL QG 1 72 PHE HA . . 4.660 3.948 3.565 4.274 . 0 0 "[ . 1 . 2]" 1 95 1 20 VAL QG 1 72 PHE HB2 . . 3.590 2.530 2.162 2.981 . 0 0 "[ . 1 . 2]" 1 96 1 20 VAL QG 1 72 PHE HB3 . . 3.560 2.393 1.974 2.595 . 0 0 "[ . 1 . 2]" 1 97 1 20 VAL QG 1 72 PHE QD . . 4.310 3.631 3.426 3.958 . 0 0 "[ . 1 . 2]" 1 98 1 20 VAL QG 1 73 VAL HA . . 3.190 2.558 2.177 2.924 . 0 0 "[ . 1 . 2]" 1 99 1 20 VAL QG 1 74 LYS H . . 3.560 2.399 1.987 3.061 . 0 0 "[ . 1 . 2]" 1 100 1 20 VAL QG 1 74 LYS QB . . 3.360 2.314 1.914 2.843 . 0 0 "[ . 1 . 2]" 1 101 1 20 VAL QG 1 74 LYS QD . . 2.600 1.987 1.780 2.388 . 0 0 "[ . 1 . 2]" 1 102 1 20 VAL QG 1 74 LYS QE . . 4.820 3.526 2.675 4.007 . 0 0 "[ . 1 . 2]" 1 103 1 20 VAL QG 1 74 LYS QG . . 4.060 2.289 1.909 3.503 . 0 0 "[ . 1 . 2]" 1 104 1 21 GLU H 1 21 GLU HB2 . . 3.640 2.272 2.183 2.497 . 0 0 "[ . 1 . 2]" 1 105 1 21 GLU H 1 21 GLU QB . . 3.010 2.246 2.162 2.454 . 0 0 "[ . 1 . 2]" 1 106 1 21 GLU H 1 21 GLU HB3 . . 3.640 3.538 3.486 3.622 . 0 0 "[ . 1 . 2]" 1 107 1 21 GLU H 1 21 GLU HG2 . . 4.120 3.298 2.705 4.111 . 0 0 "[ . 1 . 2]" 1 108 1 21 GLU H 1 21 GLU QG . . 3.580 2.849 2.255 3.312 . 0 0 "[ . 1 . 2]" 1 109 1 21 GLU H 1 21 GLU HG3 . . 4.120 3.495 2.287 3.958 . 0 0 "[ . 1 . 2]" 1 110 1 21 GLU H 1 22 GLU H . . 4.630 4.588 4.501 4.630 . 0 0 "[ . 1 . 2]" 1 111 1 21 GLU H 1 73 VAL HA . . 3.430 2.843 2.449 3.356 . 0 0 "[ . 1 . 2]" 1 112 1 21 GLU H 1 73 VAL MG1 . . 4.000 3.143 2.845 3.463 . 0 0 "[ . 1 . 2]" 1 113 1 21 GLU H 1 74 LYS H . . 4.760 4.023 3.402 4.721 . 0 0 "[ . 1 . 2]" 1 114 1 21 GLU HA 1 21 GLU HG2 . . 3.900 2.598 2.255 3.520 . 0 0 "[ . 1 . 2]" 1 115 1 21 GLU HA 1 21 GLU QG . . 3.340 2.450 2.202 2.723 . 0 0 "[ . 1 . 2]" 1 116 1 21 GLU HA 1 21 GLU HG3 . . 3.900 3.356 2.250 3.729 . 0 0 "[ . 1 . 2]" 1 117 1 21 GLU HA 1 22 GLU H . . 2.730 2.246 2.151 2.347 . 0 0 "[ . 1 . 2]" 1 118 1 21 GLU HA 1 73 VAL HA . . 5.180 4.879 4.517 5.122 . 0 0 "[ . 1 . 2]" 1 119 1 21 GLU HA 1 73 VAL MG1 . . 4.950 4.670 4.410 4.944 . 0 0 "[ . 1 . 2]" 1 120 1 21 GLU QB 1 22 GLU H . . 3.680 2.863 2.547 3.251 . 0 0 "[ . 1 . 2]" 1 121 1 21 GLU QB 1 32 LEU MD1 . . 5.030 4.135 3.401 4.671 . 0 0 "[ . 1 . 2]" 1 122 1 21 GLU QB 1 73 VAL HA . . 4.140 3.154 2.495 3.504 . 0 0 "[ . 1 . 2]" 1 123 1 21 GLU HB2 1 73 VAL HA . . 4.710 3.232 2.516 3.624 . 0 0 "[ . 1 . 2]" 1 124 1 21 GLU HB2 1 73 VAL MG1 . . 3.710 2.171 1.908 2.625 . 0 0 "[ . 1 . 2]" 1 125 1 21 GLU HB3 1 73 VAL HA . . 4.710 4.430 4.002 4.712 0.002 16 0 "[ . 1 . 2]" 1 126 1 21 GLU HB3 1 73 VAL MG1 . . 3.710 3.261 2.797 3.542 . 0 0 "[ . 1 . 2]" 1 127 1 21 GLU QG 1 22 GLU H . . 4.390 4.016 3.465 4.353 . 0 0 "[ . 1 . 2]" 1 128 1 21 GLU QG 1 32 LEU MD1 . . 4.700 4.109 3.228 4.664 . 0 0 "[ . 1 . 2]" 1 129 1 21 GLU QG 1 73 VAL MG1 . . 4.050 3.529 2.817 3.975 . 0 0 "[ . 1 . 2]" 1 130 1 22 GLU H 1 22 GLU HB2 . . 3.770 2.995 2.301 3.716 . 0 0 "[ . 1 . 2]" 1 131 1 22 GLU H 1 22 GLU QB . . 3.010 2.501 2.273 2.887 . 0 0 "[ . 1 . 2]" 1 132 1 22 GLU H 1 22 GLU HB3 . . 3.770 2.900 2.449 3.727 . 0 0 "[ . 1 . 2]" 1 133 1 22 GLU H 1 22 GLU HG2 . . 4.750 3.798 1.893 4.719 . 0 0 "[ . 1 . 2]" 1 134 1 22 GLU H 1 22 GLU QG . . 4.080 3.263 1.869 4.092 0.012 11 0 "[ . 1 . 2]" 1 135 1 22 GLU H 1 22 GLU HG3 . . 4.750 3.796 2.231 4.727 . 0 0 "[ . 1 . 2]" 1 136 1 22 GLU HA 1 23 VAL H . . 3.000 2.154 2.140 2.207 . 0 0 "[ . 1 . 2]" 1 137 1 22 GLU QB 1 23 VAL H . . 4.040 3.575 2.922 3.953 . 0 0 "[ . 1 . 2]" 1 138 1 22 GLU HB2 1 23 VAL H . . 4.650 4.067 2.995 4.556 . 0 0 "[ . 1 . 2]" 1 139 1 22 GLU HB3 1 23 VAL H . . 4.650 4.135 3.232 4.426 . 0 0 "[ . 1 . 2]" 1 140 1 22 GLU QG 1 23 VAL H . . 4.390 3.782 2.814 4.406 0.016 10 0 "[ . 1 . 2]" 1 141 1 23 VAL H 1 23 VAL HB . . 3.120 2.561 2.475 2.681 . 0 0 "[ . 1 . 2]" 1 142 1 23 VAL H 1 23 VAL MG1 . . 4.260 3.801 3.763 3.849 . 0 0 "[ . 1 . 2]" 1 143 1 23 VAL H 1 23 VAL MG2 . . 3.370 2.415 1.882 2.846 . 0 0 "[ . 1 . 2]" 1 144 1 23 VAL H 1 24 GLY H . . 4.570 4.331 3.995 4.499 . 0 0 "[ . 1 . 2]" 1 145 1 23 VAL H 1 73 VAL MG1 . . 5.410 5.198 4.482 5.410 . 16 0 "[ . 1 . 2]" 1 146 1 23 VAL H 1 74 LYS H . . 4.380 3.849 3.106 4.332 . 0 0 "[ . 1 . 2]" 1 147 1 23 VAL H 1 74 LYS QG . . 4.910 3.400 2.988 3.824 . 0 0 "[ . 1 . 2]" 1 148 1 23 VAL H 1 75 LEU HA . . 4.000 3.126 2.752 3.491 . 0 0 "[ . 1 . 2]" 1 149 1 23 VAL H 1 75 LEU QB . . 4.490 4.005 3.593 4.468 . 0 0 "[ . 1 . 2]" 1 150 1 23 VAL H 1 75 LEU MD1 . . 5.500 5.086 4.710 5.359 . 0 0 "[ . 1 . 2]" 1 151 1 23 VAL H 1 75 LEU HG . . 5.500 5.175 4.764 5.477 . 0 0 "[ . 1 . 2]" 1 152 1 23 VAL HA 1 23 VAL MG1 . . 3.240 2.372 2.217 2.474 . 0 0 "[ . 1 . 2]" 1 153 1 23 VAL HA 1 23 VAL MG2 . . 3.230 2.385 2.264 2.534 . 0 0 "[ . 1 . 2]" 1 154 1 23 VAL HA 1 24 GLY H . . 2.830 2.161 2.144 2.257 . 0 0 "[ . 1 . 2]" 1 155 1 23 VAL HA 1 25 SER H . . 3.840 3.702 3.518 3.837 . 0 0 "[ . 1 . 2]" 1 156 1 23 VAL HA 1 28 GLN HB3 . . 4.780 3.506 2.755 4.005 . 0 0 "[ . 1 . 2]" 1 157 1 23 VAL HA 1 28 GLN QE . . 4.070 2.875 2.005 4.075 0.005 17 0 "[ . 1 . 2]" 1 158 1 23 VAL HA 1 28 GLN QG . . 4.410 3.555 2.584 4.241 . 0 0 "[ . 1 . 2]" 1 159 1 23 VAL HB 1 24 GLY H . . 4.500 4.308 4.032 4.480 . 0 0 "[ . 1 . 2]" 1 160 1 23 VAL HB 1 25 SER H . . 4.810 4.392 4.203 4.718 . 0 0 "[ . 1 . 2]" 1 161 1 23 VAL HB 1 75 LEU HA . . 4.360 2.784 2.388 3.226 . 0 0 "[ . 1 . 2]" 1 162 1 23 VAL HB 1 75 LEU QB . . 3.980 2.292 1.990 3.094 . 0 0 "[ . 1 . 2]" 1 163 1 23 VAL HB 1 75 LEU MD1 . . 3.880 3.060 2.593 3.379 . 0 0 "[ . 1 . 2]" 1 164 1 23 VAL HB 1 75 LEU HG . . 3.830 3.583 2.968 3.828 . 0 0 "[ . 1 . 2]" 1 165 1 23 VAL MG1 1 24 GLY H . . 3.790 2.842 2.331 3.286 . 0 0 "[ . 1 . 2]" 1 166 1 23 VAL MG1 1 25 SER H . . 3.210 2.075 1.883 2.447 . 0 0 "[ . 1 . 2]" 1 167 1 23 VAL MG1 1 28 GLN H . . 4.690 3.928 3.298 4.165 . 0 0 "[ . 1 . 2]" 1 168 1 23 VAL MG1 1 28 GLN HA . . 5.130 4.524 4.182 4.822 . 0 0 "[ . 1 . 2]" 1 169 1 23 VAL MG1 1 28 GLN HB2 . . 3.830 3.497 2.806 3.767 . 0 0 "[ . 1 . 2]" 1 170 1 23 VAL MG1 1 28 GLN HB3 . . 3.050 2.132 1.839 2.378 . 0 0 "[ . 1 . 2]" 1 171 1 23 VAL MG1 1 28 GLN HE21 . . 5.460 4.154 2.780 5.323 . 0 0 "[ . 1 . 2]" 1 172 1 23 VAL MG1 1 28 GLN QE . . 4.780 3.789 2.743 4.720 . 0 0 "[ . 1 . 2]" 1 173 1 23 VAL MG1 1 28 GLN HE22 . . 5.460 4.463 3.368 5.458 . 0 0 "[ . 1 . 2]" 1 174 1 23 VAL MG1 1 28 GLN QG . . 3.650 3.043 2.114 3.658 0.008 16 0 "[ . 1 . 2]" 1 175 1 23 VAL MG1 1 29 PHE H . . 3.620 2.493 2.149 2.822 . 0 0 "[ . 1 . 2]" 1 176 1 23 VAL MG1 1 29 PHE HA . . 3.300 3.065 2.754 3.301 0.001 9 0 "[ . 1 . 2]" 1 177 1 23 VAL MG1 1 29 PHE HB2 . . 3.190 1.975 1.929 2.083 . 0 0 "[ . 1 . 2]" 1 178 1 23 VAL MG1 1 29 PHE HB3 . . 3.790 3.063 2.744 3.332 . 0 0 "[ . 1 . 2]" 1 179 1 23 VAL MG1 1 29 PHE QD . . 3.740 3.716 3.525 3.799 0.059 16 0 "[ . 1 . 2]" 1 180 1 23 VAL MG1 1 30 GLU H . . 5.020 4.553 4.229 4.774 . 0 0 "[ . 1 . 2]" 1 181 1 23 VAL MG1 1 32 LEU QB . . 5.240 4.759 4.540 5.115 . 0 0 "[ . 1 . 2]" 1 182 1 23 VAL MG1 1 75 LEU QB . . 4.170 3.040 2.449 3.857 . 0 0 "[ . 1 . 2]" 1 183 1 23 VAL MG1 1 75 LEU MD1 . . 3.350 2.266 1.939 2.672 . 0 0 "[ . 1 . 2]" 1 184 1 23 VAL MG2 1 24 GLY H . . 4.450 4.152 4.053 4.235 . 0 0 "[ . 1 . 2]" 1 185 1 23 VAL MG2 1 25 SER H . . 5.120 4.664 4.479 4.850 . 0 0 "[ . 1 . 2]" 1 186 1 23 VAL MG2 1 28 GLN HB3 . . 4.150 3.595 3.121 4.098 . 0 0 "[ . 1 . 2]" 1 187 1 23 VAL MG2 1 28 GLN QE . . 4.830 3.298 1.862 4.824 . 0 0 "[ . 1 . 2]" 1 188 1 23 VAL MG2 1 28 GLN QG . . 4.120 3.026 2.277 4.024 . 0 0 "[ . 1 . 2]" 1 189 1 23 VAL MG2 1 29 PHE H . . 4.640 4.057 3.749 4.366 . 0 0 "[ . 1 . 2]" 1 190 1 23 VAL MG2 1 29 PHE HA . . 4.000 3.234 2.856 3.541 . 0 0 "[ . 1 . 2]" 1 191 1 23 VAL MG2 1 29 PHE HB2 . . 3.990 3.043 2.386 3.437 . 0 0 "[ . 1 . 2]" 1 192 1 23 VAL MG2 1 29 PHE HB3 . . 4.970 4.499 3.893 4.863 . 0 0 "[ . 1 . 2]" 1 193 1 23 VAL MG2 1 29 PHE QD . . 3.820 3.440 2.904 3.799 . 0 0 "[ . 1 . 2]" 1 194 1 23 VAL MG2 1 73 VAL HA . . 4.650 3.911 3.473 4.243 . 0 0 "[ . 1 . 2]" 1 195 1 23 VAL MG2 1 73 VAL HB . . 3.470 2.303 1.890 2.716 . 0 0 "[ . 1 . 2]" 1 196 1 23 VAL MG2 1 74 LYS H . . 4.410 3.684 3.097 4.142 . 0 0 "[ . 1 . 2]" 1 197 1 23 VAL MG2 1 75 LEU HA . . 4.980 3.927 2.992 4.424 . 0 0 "[ . 1 . 2]" 1 198 1 23 VAL MG2 1 75 LEU MD1 . . 4.140 3.677 2.789 4.124 . 0 0 "[ . 1 . 2]" 1 199 1 24 GLY H 1 25 SER H . . 3.160 2.593 2.185 2.972 . 0 0 "[ . 1 . 2]" 1 200 1 24 GLY H 1 28 GLN HB2 . . 5.070 4.124 2.914 4.709 . 0 0 "[ . 1 . 2]" 1 201 1 24 GLY H 1 28 GLN HB3 . . 4.260 3.776 2.951 4.238 . 0 0 "[ . 1 . 2]" 1 202 1 24 GLY H 1 28 GLN QE . . 4.800 3.489 1.873 4.451 . 0 0 "[ . 1 . 2]" 1 203 1 24 GLY QA 1 80 VAL MG2 . . 3.550 2.538 2.112 3.317 . 0 0 "[ . 1 . 2]" 1 204 1 24 GLY HA2 1 80 VAL MG2 . . 4.230 2.594 2.139 3.468 . 0 0 "[ . 1 . 2]" 1 205 1 24 GLY HA3 1 80 VAL MG2 . . 4.230 3.695 3.260 4.238 0.008 16 0 "[ . 1 . 2]" 1 206 1 25 SER H 1 25 SER HB3 . . 3.920 3.492 3.278 3.682 . 0 0 "[ . 1 . 2]" 1 207 1 25 SER H 1 26 ALA H . . 4.730 4.241 4.126 4.379 . 0 0 "[ . 1 . 2]" 1 208 1 25 SER H 1 28 GLN H . . 4.530 4.200 3.293 4.529 . 0 0 "[ . 1 . 2]" 1 209 1 25 SER H 1 28 GLN HB2 . . 4.510 3.914 2.590 4.483 . 0 0 "[ . 1 . 2]" 1 210 1 25 SER H 1 28 GLN HB3 . . 3.680 3.293 2.584 3.628 . 0 0 "[ . 1 . 2]" 1 211 1 25 SER H 1 29 PHE H . . 4.460 4.280 3.817 4.465 0.005 17 0 "[ . 1 . 2]" 1 212 1 25 SER H 1 75 LEU MD1 . . 5.080 4.058 3.386 5.073 . 0 0 "[ . 1 . 2]" 1 213 1 25 SER H 1 80 VAL MG1 . . 3.900 3.717 3.299 3.907 0.007 5 0 "[ . 1 . 2]" 1 214 1 25 SER H 1 80 VAL MG2 . . 4.450 2.561 2.038 3.257 . 0 0 "[ . 1 . 2]" 1 215 1 25 SER HB2 1 26 ALA H . . 3.310 2.816 2.209 3.200 . 0 0 "[ . 1 . 2]" 1 216 1 25 SER HB2 1 26 ALA MB . . 4.880 4.176 3.639 4.407 . 0 0 "[ . 1 . 2]" 1 217 1 25 SER HB2 1 27 GLY H . . 4.320 3.064 2.748 3.662 . 0 0 "[ . 1 . 2]" 1 218 1 25 SER HB2 1 28 GLN H . . 4.920 3.635 2.894 4.801 . 0 0 "[ . 1 . 2]" 1 219 1 25 SER HB2 1 80 VAL MG1 . . 4.810 4.278 3.414 4.727 . 0 0 "[ . 1 . 2]" 1 220 1 25 SER HB3 1 26 ALA H . . 4.100 3.961 3.634 4.086 . 0 0 "[ . 1 . 2]" 1 221 1 25 SER HB3 1 27 GLY H . . 5.060 4.652 4.165 4.991 . 0 0 "[ . 1 . 2]" 1 222 1 25 SER HB3 1 28 GLN H . . 5.100 4.530 4.300 5.034 . 0 0 "[ . 1 . 2]" 1 223 1 25 SER HB3 1 80 VAL MG1 . . 5.090 4.676 3.941 5.082 . 0 0 "[ . 1 . 2]" 1 224 1 25 SER HB3 1 80 VAL MG2 . . 4.870 3.908 3.643 4.382 . 0 0 "[ . 1 . 2]" 1 225 1 25 SER HG 1 28 GLN H . . 3.000 2.385 1.904 2.929 . 0 0 "[ . 1 . 2]" 1 226 1 26 ALA H 1 26 ALA MB . . 3.000 2.130 2.024 2.236 . 0 0 "[ . 1 . 2]" 1 227 1 26 ALA H 1 27 GLY H . . 3.880 2.781 2.574 3.049 . 0 0 "[ . 1 . 2]" 1 228 1 26 ALA H 1 28 GLN H . . 4.920 4.419 4.216 4.815 . 0 0 "[ . 1 . 2]" 1 229 1 26 ALA H 1 80 VAL MG1 . . 3.480 2.348 2.055 2.806 . 0 0 "[ . 1 . 2]" 1 230 1 26 ALA H 1 80 VAL MG2 . . 4.380 3.451 2.845 3.994 . 0 0 "[ . 1 . 2]" 1 231 1 26 ALA H 1 83 VAL MG2 . . 4.730 3.720 3.163 4.265 . 0 0 "[ . 1 . 2]" 1 232 1 26 ALA HA 1 29 PHE H . . 3.980 3.579 3.367 3.736 . 0 0 "[ . 1 . 2]" 1 233 1 26 ALA HA 1 29 PHE HB2 . . 4.630 4.130 3.802 4.446 . 0 0 "[ . 1 . 2]" 1 234 1 26 ALA HA 1 29 PHE HB3 . . 3.460 2.908 2.593 3.214 . 0 0 "[ . 1 . 2]" 1 235 1 26 ALA HA 1 29 PHE QD . . 4.970 3.798 3.533 4.224 . 0 0 "[ . 1 . 2]" 1 236 1 26 ALA HA 1 30 GLU H . . 4.650 3.716 3.293 3.983 . 0 0 "[ . 1 . 2]" 1 237 1 26 ALA HA 1 80 VAL MG1 . . 3.540 2.718 2.292 3.209 . 0 0 "[ . 1 . 2]" 1 238 1 26 ALA HA 1 82 GLU QB . . 5.070 4.193 3.963 4.986 . 0 0 "[ . 1 . 2]" 1 239 1 26 ALA HA 1 83 VAL H . . 4.640 4.496 4.276 4.646 0.006 15 0 "[ . 1 . 2]" 1 240 1 26 ALA HA 1 83 VAL HB . . 5.500 4.453 4.108 4.887 . 0 0 "[ . 1 . 2]" 1 241 1 26 ALA HA 1 83 VAL MG2 . . 3.020 2.123 1.900 2.525 . 0 0 "[ . 1 . 2]" 1 242 1 26 ALA MB 1 27 GLY H . . 3.820 2.593 2.220 2.935 . 0 0 "[ . 1 . 2]" 1 243 1 26 ALA MB 1 27 GLY HA2 . . 4.950 3.754 3.575 3.823 . 0 0 "[ . 1 . 2]" 1 244 1 26 ALA MB 1 27 GLY HA3 . . 4.870 4.257 4.050 4.415 . 0 0 "[ . 1 . 2]" 1 245 1 26 ALA MB 1 29 PHE H . . 5.130 4.732 4.487 4.851 . 0 0 "[ . 1 . 2]" 1 246 1 26 ALA MB 1 29 PHE HB3 . . 4.570 4.215 3.870 4.395 . 0 0 "[ . 1 . 2]" 1 247 1 26 ALA MB 1 29 PHE QD . . 5.170 4.307 3.767 4.787 . 0 0 "[ . 1 . 2]" 1 248 1 26 ALA MB 1 30 GLU H . . 4.810 4.142 3.818 4.353 . 0 0 "[ . 1 . 2]" 1 249 1 26 ALA MB 1 30 GLU QG . . 4.710 2.985 2.494 3.542 . 0 0 "[ . 1 . 2]" 1 250 1 26 ALA MB 1 80 VAL MG1 . . 3.360 2.659 2.144 3.255 . 0 0 "[ . 1 . 2]" 1 251 1 26 ALA MB 1 82 GLU H . . 4.940 4.292 3.881 4.920 . 0 0 "[ . 1 . 2]" 1 252 1 26 ALA MB 1 82 GLU HA . . 4.920 4.565 4.292 4.879 . 0 0 "[ . 1 . 2]" 1 253 1 26 ALA MB 1 82 GLU QB . . 3.280 2.172 1.965 2.741 . 0 0 "[ . 1 . 2]" 1 254 1 26 ALA MB 1 82 GLU QG . . 3.660 2.177 1.844 2.692 . 0 0 "[ . 1 . 2]" 1 255 1 26 ALA MB 1 83 VAL H . . 4.670 3.258 2.764 3.733 . 0 0 "[ . 1 . 2]" 1 256 1 26 ALA MB 1 83 VAL HA . . 4.220 3.880 3.561 4.207 . 0 0 "[ . 1 . 2]" 1 257 1 26 ALA MB 1 83 VAL MG1 . . 5.380 4.276 4.011 4.494 . 0 0 "[ . 1 . 2]" 1 258 1 26 ALA MB 1 83 VAL MG2 . . 3.090 2.011 1.807 2.193 . 0 0 "[ . 1 . 2]" 1 259 1 27 GLY H 1 28 GLN H . . 3.590 2.862 2.595 3.166 . 0 0 "[ . 1 . 2]" 1 260 1 27 GLY H 1 29 PHE H . . 5.010 4.481 4.162 4.768 . 0 0 "[ . 1 . 2]" 1 261 1 27 GLY HA2 1 28 GLN HA . . 5.080 4.794 4.747 4.848 . 0 0 "[ . 1 . 2]" 1 262 1 27 GLY HA2 1 30 GLU H . . 4.680 4.011 3.765 4.196 . 0 0 "[ . 1 . 2]" 1 263 1 27 GLY HA2 1 30 GLU HB2 . . 4.210 2.869 2.573 3.177 . 0 0 "[ . 1 . 2]" 1 264 1 27 GLY HA3 1 28 GLN HA . . 4.600 4.324 4.302 4.346 . 0 0 "[ . 1 . 2]" 1 265 1 27 GLY HA3 1 28 GLN HB2 . . 5.340 4.819 4.640 5.003 . 0 0 "[ . 1 . 2]" 1 266 1 27 GLY HA3 1 29 PHE H . . 5.080 4.908 4.752 5.023 . 0 0 "[ . 1 . 2]" 1 267 1 27 GLY HA3 1 30 GLU H . . 5.280 5.197 5.019 5.282 0.002 6 0 "[ . 1 . 2]" 1 268 1 27 GLY HA3 1 30 GLU HB2 . . 5.500 4.543 4.276 4.858 . 0 0 "[ . 1 . 2]" 1 269 1 28 GLN H 1 28 GLN HB2 . . 3.040 2.380 2.197 2.616 . 0 0 "[ . 1 . 2]" 1 270 1 28 GLN H 1 28 GLN HG2 . . 4.660 4.532 4.382 4.633 . 0 0 "[ . 1 . 2]" 1 271 1 28 GLN H 1 28 GLN QG . . 4.030 3.944 3.880 4.024 . 0 0 "[ . 1 . 2]" 1 272 1 28 GLN H 1 28 GLN HG3 . . 4.660 4.345 4.163 4.544 . 0 0 "[ . 1 . 2]" 1 273 1 28 GLN H 1 29 PHE H . . 3.260 2.804 2.566 3.026 . 0 0 "[ . 1 . 2]" 1 274 1 28 GLN H 1 30 GLU H . . 4.670 4.567 4.272 4.670 0.000 17 0 "[ . 1 . 2]" 1 275 1 28 GLN HA 1 28 GLN HB2 . . 3.020 2.531 2.414 2.638 . 0 0 "[ . 1 . 2]" 1 276 1 28 GLN HA 1 28 GLN HG2 . . 3.660 3.122 2.717 3.638 . 0 0 "[ . 1 . 2]" 1 277 1 28 GLN HA 1 28 GLN HG3 . . 3.660 2.455 2.183 2.856 . 0 0 "[ . 1 . 2]" 1 278 1 28 GLN HA 1 30 GLU H . . 5.500 5.136 4.929 5.293 . 0 0 "[ . 1 . 2]" 1 279 1 28 GLN HB2 1 29 PHE H . . 3.910 3.654 3.386 3.895 . 0 0 "[ . 1 . 2]" 1 280 1 28 GLN HB3 1 28 GLN QG . . 2.630 2.294 2.141 2.449 . 0 0 "[ . 1 . 2]" 1 281 1 28 GLN HB3 1 29 PHE H . . 3.530 2.379 2.147 2.663 . 0 0 "[ . 1 . 2]" 1 282 1 28 GLN HB3 1 29 PHE HA . . 5.170 4.103 3.841 4.341 . 0 0 "[ . 1 . 2]" 1 283 1 28 GLN QE 1 28 GLN QG . . 3.100 2.203 2.067 2.533 . 0 0 "[ . 1 . 2]" 1 284 1 28 GLN QG 1 29 PHE H . . 4.310 3.659 3.299 3.976 . 0 0 "[ . 1 . 2]" 1 285 1 28 GLN QG 1 32 LEU QB . . 4.830 3.606 3.247 3.958 . 0 0 "[ . 1 . 2]" 1 286 1 28 GLN QG 1 32 LEU MD1 . . 4.330 3.692 3.295 4.091 . 0 0 "[ . 1 . 2]" 1 287 1 28 GLN HG2 1 29 PHE H . . 5.080 3.850 3.434 4.621 . 0 0 "[ . 1 . 2]" 1 288 1 28 GLN HG3 1 29 PHE H . . 5.080 4.631 4.270 5.058 . 0 0 "[ . 1 . 2]" 1 289 1 29 PHE H 1 29 PHE HB2 . . 3.060 2.696 2.560 2.826 . 0 0 "[ . 1 . 2]" 1 290 1 29 PHE H 1 29 PHE HB3 . . 3.080 2.385 2.293 2.510 . 0 0 "[ . 1 . 2]" 1 291 1 29 PHE H 1 29 PHE QD . . 4.520 4.167 4.134 4.184 . 0 0 "[ . 1 . 2]" 1 292 1 29 PHE H 1 30 GLU H . . 3.290 2.885 2.589 3.087 . 0 0 "[ . 1 . 2]" 1 293 1 29 PHE H 1 75 LEU MD1 . . 5.080 4.629 4.318 4.994 . 0 0 "[ . 1 . 2]" 1 294 1 29 PHE HA 1 29 PHE QD . . 3.520 2.397 2.150 2.627 . 0 0 "[ . 1 . 2]" 1 295 1 29 PHE HA 1 31 GLU H . . 4.290 4.233 3.873 4.291 0.001 4 0 "[ . 1 . 2]" 1 296 1 29 PHE HA 1 32 LEU HB2 . . 3.870 3.315 3.061 3.508 . 0 0 "[ . 1 . 2]" 1 297 1 29 PHE HA 1 32 LEU QB . . 3.310 2.876 2.619 3.034 . 0 0 "[ . 1 . 2]" 1 298 1 29 PHE HA 1 32 LEU HB3 . . 3.870 3.174 2.774 3.391 . 0 0 "[ . 1 . 2]" 1 299 1 29 PHE HA 1 32 LEU MD1 . . 5.500 4.740 4.542 4.998 . 0 0 "[ . 1 . 2]" 1 300 1 29 PHE HA 1 33 LEU H . . 5.070 4.102 3.856 4.391 . 0 0 "[ . 1 . 2]" 1 301 1 29 PHE HA 1 33 LEU HG . . 5.500 4.588 4.242 4.969 . 0 0 "[ . 1 . 2]" 1 302 1 29 PHE HA 1 73 VAL HB . . 5.500 5.480 5.412 5.513 0.013 16 0 "[ . 1 . 2]" 1 303 1 29 PHE HA 1 73 VAL MG1 . . 5.500 4.903 4.699 5.036 . 0 0 "[ . 1 . 2]" 1 304 1 29 PHE HB2 1 30 GLU H . . 3.870 3.726 3.600 3.853 . 0 0 "[ . 1 . 2]" 1 305 1 29 PHE HB2 1 75 LEU MD1 . . 4.320 3.087 2.736 3.509 . 0 0 "[ . 1 . 2]" 1 306 1 29 PHE HB2 1 83 VAL MG2 . . 3.830 3.686 3.407 3.832 0.002 4 0 "[ . 1 . 2]" 1 307 1 29 PHE HB3 1 30 GLU H . . 3.280 2.256 2.092 2.439 . 0 0 "[ . 1 . 2]" 1 308 1 29 PHE HB3 1 30 GLU HG2 . . 5.070 4.249 3.182 4.834 . 0 0 "[ . 1 . 2]" 1 309 1 29 PHE HB3 1 30 GLU HG3 . . 5.070 4.053 3.433 5.012 . 0 0 "[ . 1 . 2]" 1 310 1 29 PHE HB3 1 31 GLU H . . 5.040 4.713 4.456 4.909 . 0 0 "[ . 1 . 2]" 1 311 1 29 PHE HB3 1 75 LEU MD1 . . 5.060 3.717 3.364 4.158 . 0 0 "[ . 1 . 2]" 1 312 1 29 PHE HB3 1 80 VAL MG1 . . 5.370 4.499 4.116 5.031 . 0 0 "[ . 1 . 2]" 1 313 1 29 PHE HB3 1 83 VAL MG1 . . 4.780 4.095 3.684 4.685 . 0 0 "[ . 1 . 2]" 1 314 1 29 PHE HB3 1 83 VAL MG2 . . 3.710 2.852 2.687 3.129 . 0 0 "[ . 1 . 2]" 1 315 1 29 PHE QD 1 30 GLU H . . 4.250 3.102 2.723 3.461 . 0 0 "[ . 1 . 2]" 1 316 1 29 PHE QD 1 30 GLU HA . . 4.190 3.805 3.490 4.173 . 0 0 "[ . 1 . 2]" 1 317 1 29 PHE QD 1 30 GLU HB2 . . 5.390 4.886 4.574 5.123 . 0 0 "[ . 1 . 2]" 1 318 1 29 PHE QD 1 30 GLU HG2 . . 4.610 3.266 2.601 4.196 . 0 0 "[ . 1 . 2]" 1 319 1 29 PHE QD 1 30 GLU QG . . 4.030 2.898 2.571 3.164 . 0 0 "[ . 1 . 2]" 1 320 1 29 PHE QD 1 30 GLU HG3 . . 4.610 3.594 2.812 4.610 0.000 11 0 "[ . 1 . 2]" 1 321 1 29 PHE QD 1 32 LEU QB . . 4.960 3.624 3.340 4.033 . 0 0 "[ . 1 . 2]" 1 322 1 29 PHE QD 1 33 LEU MD1 . . 4.350 3.567 3.144 4.138 . 0 0 "[ . 1 . 2]" 1 323 1 29 PHE QD 1 33 LEU MD2 . . 4.970 4.208 3.861 4.731 . 0 0 "[ . 1 . 2]" 1 324 1 29 PHE QD 1 33 LEU HG . . 4.810 3.645 3.237 4.005 . 0 0 "[ . 1 . 2]" 1 325 1 29 PHE QD 1 41 LEU MD1 . . 5.500 4.693 4.384 5.045 . 0 0 "[ . 1 . 2]" 1 326 1 29 PHE QD 1 41 LEU MD2 . . 3.850 3.089 2.727 3.393 . 0 0 "[ . 1 . 2]" 1 327 1 29 PHE QD 1 73 VAL MG1 . . 4.820 4.440 4.152 4.681 . 0 0 "[ . 1 . 2]" 1 328 1 29 PHE QD 1 75 LEU MD1 . . 4.300 3.825 3.247 4.278 . 0 0 "[ . 1 . 2]" 1 329 1 29 PHE QD 1 83 VAL MG1 . . 4.200 2.641 1.992 3.247 . 0 0 "[ . 1 . 2]" 1 330 1 29 PHE QD 1 83 VAL MG2 . . 3.640 2.269 1.958 2.693 . 0 0 "[ . 1 . 2]" 1 331 1 29 PHE QE 1 33 LEU MD1 . . 3.640 2.859 2.348 3.392 . 0 0 "[ . 1 . 2]" 1 332 1 29 PHE QE 1 33 LEU MD2 . . 3.810 2.918 2.336 3.571 . 0 0 "[ . 1 . 2]" 1 333 1 29 PHE QE 1 41 LEU MD1 . . 5.500 4.519 4.207 4.935 . 0 0 "[ . 1 . 2]" 1 334 1 29 PHE QE 1 41 LEU MD2 . . 3.450 2.168 1.973 2.501 . 0 0 "[ . 1 . 2]" 1 335 1 29 PHE QE 1 41 LEU HG . . 4.790 4.126 3.744 4.600 . 0 0 "[ . 1 . 2]" 1 336 1 29 PHE QE 1 43 VAL HB . . 4.730 4.312 4.191 4.548 . 0 0 "[ . 1 . 2]" 1 337 1 29 PHE QE 1 43 VAL MG2 . . 3.440 1.941 1.854 2.065 . 0 0 "[ . 1 . 2]" 1 338 1 29 PHE QE 1 73 VAL MG2 . . 4.350 3.511 2.913 3.925 . 0 0 "[ . 1 . 2]" 1 339 1 29 PHE QE 1 83 VAL MG1 . . 3.950 2.672 1.986 3.211 . 0 0 "[ . 1 . 2]" 1 340 1 29 PHE QE 1 98 PHE HZ . . 4.950 4.089 3.780 4.401 . 0 0 "[ . 1 . 2]" 1 341 1 29 PHE HZ 1 33 LEU MD1 . . 4.420 2.945 2.409 3.598 . 0 0 "[ . 1 . 2]" 1 342 1 29 PHE HZ 1 33 LEU MD2 . . 3.990 2.939 2.524 3.434 . 0 0 "[ . 1 . 2]" 1 343 1 29 PHE HZ 1 41 LEU MD2 . . 4.390 3.866 3.478 4.216 . 0 0 "[ . 1 . 2]" 1 344 1 29 PHE HZ 1 43 VAL MG1 . . 4.530 4.262 3.948 4.537 0.007 16 0 "[ . 1 . 2]" 1 345 1 29 PHE HZ 1 43 VAL MG2 . . 3.830 2.762 2.241 3.251 . 0 0 "[ . 1 . 2]" 1 346 1 29 PHE HZ 1 83 VAL MG1 . . 4.690 4.253 3.841 4.632 . 0 0 "[ . 1 . 2]" 1 347 1 29 PHE HZ 1 87 TYR QE . . 4.320 3.957 3.626 4.272 . 0 0 "[ . 1 . 2]" 1 348 1 29 PHE HZ 1 96 LEU MD1 . . 5.050 4.488 3.963 4.894 . 0 0 "[ . 1 . 2]" 1 349 1 29 PHE HZ 1 98 PHE QE . . 3.950 2.645 2.074 3.216 . 0 0 "[ . 1 . 2]" 1 350 1 29 PHE HZ 1 98 PHE HZ . . 3.730 3.309 2.777 3.652 . 0 0 "[ . 1 . 2]" 1 351 1 30 GLU H 1 30 GLU HB2 . . 3.000 2.466 2.324 2.643 . 0 0 "[ . 1 . 2]" 1 352 1 30 GLU H 1 30 GLU HB3 . . 3.690 3.588 3.562 3.603 . 0 0 "[ . 1 . 2]" 1 353 1 30 GLU H 1 30 GLU HG2 . . 3.710 2.946 1.923 3.540 . 0 0 "[ . 1 . 2]" 1 354 1 30 GLU H 1 30 GLU QG . . 3.210 2.303 1.910 2.605 . 0 0 "[ . 1 . 2]" 1 355 1 30 GLU H 1 30 GLU HG3 . . 3.710 2.698 2.132 3.536 . 0 0 "[ . 1 . 2]" 1 356 1 30 GLU H 1 31 GLU H . . 3.310 2.831 2.706 2.932 . 0 0 "[ . 1 . 2]" 1 357 1 30 GLU H 1 32 LEU H . . 4.830 4.507 4.097 4.708 . 0 0 "[ . 1 . 2]" 1 358 1 30 GLU H 1 83 VAL MG2 . . 4.730 3.943 3.632 4.248 . 0 0 "[ . 1 . 2]" 1 359 1 30 GLU HA 1 30 GLU HG2 . . 4.060 2.453 2.204 2.896 . 0 0 "[ . 1 . 2]" 1 360 1 30 GLU HA 1 30 GLU QG . . 3.390 2.393 2.165 2.813 . 0 0 "[ . 1 . 2]" 1 361 1 30 GLU HA 1 30 GLU HG3 . . 4.060 3.350 2.972 3.822 . 0 0 "[ . 1 . 2]" 1 362 1 30 GLU HA 1 32 LEU H . . 5.070 4.753 4.016 5.010 . 0 0 "[ . 1 . 2]" 1 363 1 30 GLU HA 1 33 LEU H . . 3.920 3.741 3.312 3.880 . 0 0 "[ . 1 . 2]" 1 364 1 30 GLU HA 1 33 LEU HB2 . . 3.720 2.938 2.679 3.065 . 0 0 "[ . 1 . 2]" 1 365 1 30 GLU HA 1 33 LEU HB3 . . 4.520 4.383 4.180 4.511 . 0 0 "[ . 1 . 2]" 1 366 1 30 GLU HA 1 33 LEU MD1 . . 3.640 2.141 1.975 2.696 . 0 0 "[ . 1 . 2]" 1 367 1 30 GLU HA 1 33 LEU MD2 . . 4.740 4.531 4.305 4.731 . 0 0 "[ . 1 . 2]" 1 368 1 30 GLU HA 1 33 LEU HG . . 4.040 3.346 2.862 3.741 . 0 0 "[ . 1 . 2]" 1 369 1 30 GLU HA 1 34 ARG H . . 5.380 5.209 4.926 5.383 0.003 7 0 "[ . 1 . 2]" 1 370 1 30 GLU HB3 1 33 LEU HB2 . . 4.890 4.630 4.363 4.764 . 0 0 "[ . 1 . 2]" 1 371 1 30 GLU HB3 1 33 LEU MD1 . . 4.990 3.933 3.708 4.213 . 0 0 "[ . 1 . 2]" 1 372 1 30 GLU QG 1 31 GLU H . . 4.830 4.174 3.962 4.308 . 0 0 "[ . 1 . 2]" 1 373 1 30 GLU QG 1 33 LEU MD1 . . 4.980 3.243 2.729 3.977 . 0 0 "[ . 1 . 2]" 1 374 1 30 GLU QG 1 83 VAL MG2 . . 5.300 3.181 2.781 3.546 . 0 0 "[ . 1 . 2]" 1 375 1 31 GLU H 1 31 GLU QB . . 2.820 2.241 2.167 2.319 . 0 0 "[ . 1 . 2]" 1 376 1 31 GLU H 1 31 GLU QG . . 4.160 3.907 2.519 4.077 . 0 0 "[ . 1 . 2]" 1 377 1 31 GLU H 1 32 LEU H . . 3.170 2.678 2.461 2.827 . 0 0 "[ . 1 . 2]" 1 378 1 31 GLU H 1 32 LEU QB . . 4.900 4.346 4.158 4.431 . 0 0 "[ . 1 . 2]" 1 379 1 31 GLU HA 1 31 GLU QB . . 2.800 2.342 2.167 2.468 . 0 0 "[ . 1 . 2]" 1 380 1 31 GLU HA 1 31 GLU QG . . 3.250 2.583 2.210 3.295 0.045 4 0 "[ . 1 . 2]" 1 381 1 31 GLU HA 1 34 ARG QD . . 4.400 3.719 2.648 4.396 . 0 0 "[ . 1 . 2]" 1 382 1 31 GLU QB 1 32 LEU H . . 3.310 2.437 2.157 3.336 0.026 4 0 "[ . 1 . 2]" 1 383 1 31 GLU QB 1 32 LEU HA . . 4.630 4.126 3.780 4.527 . 0 0 "[ . 1 . 2]" 1 384 1 31 GLU QB 1 32 LEU MD1 . . 5.500 4.586 4.339 5.183 . 0 0 "[ . 1 . 2]" 1 385 1 31 GLU QB 1 33 LEU H . . 4.940 4.678 4.370 4.847 . 0 0 "[ . 1 . 2]" 1 386 1 31 GLU QB 1 34 ARG H . . 5.500 5.223 4.937 5.478 . 0 0 "[ . 1 . 2]" 1 387 1 31 GLU QB 1 35 LEU QD . . 4.650 3.991 3.321 4.551 . 0 0 "[ . 1 . 2]" 1 388 1 31 GLU QG 1 32 LEU H . . 4.510 3.433 2.018 4.262 . 0 0 "[ . 1 . 2]" 1 389 1 31 GLU QG 1 32 LEU HA . . 4.410 3.643 2.855 4.399 . 0 0 "[ . 1 . 2]" 1 390 1 31 GLU QG 1 35 LEU QD . . 3.410 2.645 1.860 3.364 . 0 0 "[ . 1 . 2]" 1 391 1 31 GLU QG 1 35 LEU HG . . 4.400 3.846 3.006 4.396 . 0 0 "[ . 1 . 2]" 1 392 1 32 LEU H 1 32 LEU HB2 . . 3.160 2.238 2.150 2.507 . 0 0 "[ . 1 . 2]" 1 393 1 32 LEU H 1 32 LEU HB3 . . 3.160 2.826 2.613 2.949 . 0 0 "[ . 1 . 2]" 1 394 1 32 LEU H 1 32 LEU MD1 . . 4.090 3.701 3.548 4.063 . 0 0 "[ . 1 . 2]" 1 395 1 32 LEU H 1 32 LEU HG . . 4.540 4.481 4.443 4.519 . 0 0 "[ . 1 . 2]" 1 396 1 32 LEU H 1 33 LEU H . . 3.310 2.769 2.351 2.953 . 0 0 "[ . 1 . 2]" 1 397 1 32 LEU H 1 34 ARG H . . 4.670 4.409 4.117 4.643 . 0 0 "[ . 1 . 2]" 1 398 1 32 LEU H 1 35 LEU QD . . 4.720 4.197 3.416 4.706 . 0 0 "[ . 1 . 2]" 1 399 1 32 LEU HA 1 32 LEU MD1 . . 3.220 2.453 2.159 2.622 . 0 0 "[ . 1 . 2]" 1 400 1 32 LEU HA 1 32 LEU MD2 . . 4.260 3.835 3.789 3.877 . 0 0 "[ . 1 . 2]" 1 401 1 32 LEU HA 1 32 LEU HG . . 3.630 2.611 2.483 2.749 . 0 0 "[ . 1 . 2]" 1 402 1 32 LEU HA 1 34 ARG H . . 4.640 3.978 3.687 4.281 . 0 0 "[ . 1 . 2]" 1 403 1 32 LEU HA 1 35 LEU H . . 3.980 3.158 2.863 3.444 . 0 0 "[ . 1 . 2]" 1 404 1 32 LEU HA 1 35 LEU HB2 . . 3.440 2.405 2.003 2.949 . 0 0 "[ . 1 . 2]" 1 405 1 32 LEU HA 1 35 LEU QD . . 3.730 2.566 1.977 3.410 . 0 0 "[ . 1 . 2]" 1 406 1 32 LEU HA 1 36 LYS H . . 4.650 3.481 3.250 3.754 . 0 0 "[ . 1 . 2]" 1 407 1 32 LEU HA 1 36 LYS QG . . 4.660 3.750 3.410 4.171 . 0 0 "[ . 1 . 2]" 1 408 1 32 LEU HA 1 41 LEU MD2 . . 5.500 5.314 4.924 5.481 . 0 0 "[ . 1 . 2]" 1 409 1 32 LEU QB 1 32 LEU MD1 . . 3.180 2.089 1.979 2.226 . 0 0 "[ . 1 . 2]" 1 410 1 32 LEU QB 1 32 LEU MD2 . . 3.100 1.970 1.922 2.088 . 0 0 "[ . 1 . 2]" 1 411 1 32 LEU QB 1 33 LEU H . . 3.380 2.544 2.291 3.075 . 0 0 "[ . 1 . 2]" 1 412 1 32 LEU QB 1 34 ARG H . . 5.340 4.657 4.439 5.016 . 0 0 "[ . 1 . 2]" 1 413 1 32 LEU QB 1 41 LEU MD2 . . 4.120 3.253 2.907 3.389 . 0 0 "[ . 1 . 2]" 1 414 1 32 LEU HB2 1 32 LEU MD2 . . 3.580 2.627 2.553 2.686 . 0 0 "[ . 1 . 2]" 1 415 1 32 LEU HB2 1 33 LEU H . . 3.920 3.653 3.473 3.901 . 0 0 "[ . 1 . 2]" 1 416 1 32 LEU HB2 1 41 LEU MD2 . . 4.880 4.761 4.498 4.886 0.006 4 0 "[ . 1 . 2]" 1 417 1 32 LEU HB3 1 32 LEU MD2 . . 3.580 2.037 1.970 2.216 . 0 0 "[ . 1 . 2]" 1 418 1 32 LEU HB3 1 33 LEU H . . 3.920 2.600 2.321 3.219 . 0 0 "[ . 1 . 2]" 1 419 1 32 LEU HB3 1 41 LEU MD2 . . 4.880 3.312 2.943 3.457 . 0 0 "[ . 1 . 2]" 1 420 1 32 LEU MD1 1 35 LEU HB2 . . 4.350 3.185 2.641 3.646 . 0 0 "[ . 1 . 2]" 1 421 1 32 LEU MD1 1 35 LEU HG . . 5.500 4.582 3.767 5.031 . 0 0 "[ . 1 . 2]" 1 422 1 32 LEU MD1 1 36 LYS H . . 4.910 4.086 3.744 4.536 . 0 0 "[ . 1 . 2]" 1 423 1 32 LEU MD1 1 36 LYS HB2 . . 5.500 4.429 4.041 4.820 . 0 0 "[ . 1 . 2]" 1 424 1 32 LEU MD1 1 36 LYS QD . . 4.960 4.136 3.668 4.543 . 0 0 "[ . 1 . 2]" 1 425 1 32 LEU MD1 1 36 LYS HE2 . . 3.810 3.159 2.087 3.806 . 0 0 "[ . 1 . 2]" 1 426 1 32 LEU MD1 1 36 LYS HE3 . . 3.810 3.356 2.175 3.810 0.000 13 0 "[ . 1 . 2]" 1 427 1 32 LEU MD1 1 36 LYS QG . . 3.760 2.676 2.363 3.104 . 0 0 "[ . 1 . 2]" 1 428 1 32 LEU MD1 1 41 LEU MD2 . . 5.080 4.816 4.427 5.010 . 0 0 "[ . 1 . 2]" 1 429 1 32 LEU MD2 1 36 LYS H . . 5.110 4.333 4.095 4.569 . 0 0 "[ . 1 . 2]" 1 430 1 32 LEU MD2 1 36 LYS HB3 . . 4.090 4.030 3.875 4.090 0.000 10 0 "[ . 1 . 2]" 1 431 1 32 LEU MD2 1 36 LYS HE2 . . 4.730 4.353 3.647 4.731 0.001 8 0 "[ . 1 . 2]" 1 432 1 32 LEU MD2 1 36 LYS HE3 . . 4.730 4.033 3.580 4.681 . 0 0 "[ . 1 . 2]" 1 433 1 32 LEU MD2 1 41 LEU MD2 . . 3.730 2.732 2.358 2.956 . 0 0 "[ . 1 . 2]" 1 434 1 32 LEU HG 1 35 LEU H . . 5.500 4.715 4.245 5.168 . 0 0 "[ . 1 . 2]" 1 435 1 32 LEU HG 1 36 LYS H . . 5.250 3.060 2.699 3.395 . 0 0 "[ . 1 . 2]" 1 436 1 32 LEU HG 1 41 LEU MD1 . . 3.870 3.131 2.722 3.622 . 0 0 "[ . 1 . 2]" 1 437 1 32 LEU HG 1 41 LEU MD2 . . 4.800 4.054 3.448 4.448 . 0 0 "[ . 1 . 2]" 1 438 1 33 LEU H 1 33 LEU HB2 . . 2.940 2.305 2.168 2.416 . 0 0 "[ . 1 . 2]" 1 439 1 33 LEU H 1 33 LEU HB3 . . 3.620 3.559 3.485 3.599 . 0 0 "[ . 1 . 2]" 1 440 1 33 LEU H 1 33 LEU MD1 . . 4.070 3.696 3.498 3.895 . 0 0 "[ . 1 . 2]" 1 441 1 33 LEU H 1 33 LEU MD2 . . 4.040 3.739 3.464 4.021 . 0 0 "[ . 1 . 2]" 1 442 1 33 LEU H 1 33 LEU HG . . 3.090 2.705 2.489 2.966 . 0 0 "[ . 1 . 2]" 1 443 1 33 LEU H 1 34 ARG H . . 3.310 2.934 2.607 3.112 . 0 0 "[ . 1 . 2]" 1 444 1 33 LEU H 1 34 ARG QB . . 5.050 4.904 4.775 5.034 . 0 0 "[ . 1 . 2]" 1 445 1 33 LEU H 1 35 LEU H . . 4.830 4.521 4.005 4.829 . 0 0 "[ . 1 . 2]" 1 446 1 33 LEU H 1 41 LEU MD2 . . 4.940 3.831 3.564 4.132 . 0 0 "[ . 1 . 2]" 1 447 1 33 LEU HA 1 33 LEU MD1 . . 4.150 3.812 3.773 3.832 . 0 0 "[ . 1 . 2]" 1 448 1 33 LEU HA 1 33 LEU MD2 . . 3.120 2.136 1.974 2.451 . 0 0 "[ . 1 . 2]" 1 449 1 33 LEU HA 1 33 LEU HG . . 3.850 2.770 2.570 2.937 . 0 0 "[ . 1 . 2]" 1 450 1 33 LEU HA 1 35 LEU H . . 5.200 4.908 4.558 5.200 . 0 0 "[ . 1 . 2]" 1 451 1 33 LEU HA 1 36 LYS H . . 4.460 4.166 3.928 4.364 . 0 0 "[ . 1 . 2]" 1 452 1 33 LEU HA 1 36 LYS HB2 . . 4.410 3.922 3.458 4.263 . 0 0 "[ . 1 . 2]" 1 453 1 33 LEU HA 1 37 ALA MB . . 4.990 4.669 4.395 4.874 . 0 0 "[ . 1 . 2]" 1 454 1 33 LEU HA 1 41 LEU MD1 . . 4.770 3.872 3.321 4.368 . 0 0 "[ . 1 . 2]" 1 455 1 33 LEU HA 1 41 LEU MD2 . . 3.770 2.589 2.382 2.985 . 0 0 "[ . 1 . 2]" 1 456 1 33 LEU HB2 1 33 LEU MD1 . . 3.400 2.265 2.065 2.425 . 0 0 "[ . 1 . 2]" 1 457 1 33 LEU HB2 1 34 ARG H . . 3.380 2.805 2.620 3.068 . 0 0 "[ . 1 . 2]" 1 458 1 33 LEU HB2 1 41 LEU MD2 . . 5.460 4.622 4.282 5.014 . 0 0 "[ . 1 . 2]" 1 459 1 33 LEU HB2 1 101 SER HA . . 4.930 4.639 4.313 4.851 . 0 0 "[ . 1 . 2]" 1 460 1 33 LEU HB2 1 101 SER QB . . 5.040 4.525 3.752 5.042 0.002 4 0 "[ . 1 . 2]" 1 461 1 33 LEU HB3 1 33 LEU MD1 . . 3.410 2.401 2.232 2.560 . 0 0 "[ . 1 . 2]" 1 462 1 33 LEU HB3 1 33 LEU MD2 . . 3.520 2.267 2.085 2.371 . 0 0 "[ . 1 . 2]" 1 463 1 33 LEU HB3 1 34 ARG H . . 3.840 3.325 3.048 3.570 . 0 0 "[ . 1 . 2]" 1 464 1 33 LEU HB3 1 101 SER H . . 4.810 4.379 4.104 4.681 . 0 0 "[ . 1 . 2]" 1 465 1 33 LEU HB3 1 101 SER HA . . 3.780 2.967 2.710 3.215 . 0 0 "[ . 1 . 2]" 1 466 1 33 LEU HB3 1 101 SER QB . . 4.460 3.110 2.333 3.696 . 0 0 "[ . 1 . 2]" 1 467 1 33 LEU MD1 1 34 ARG H . . 5.110 4.617 4.435 4.854 . 0 0 "[ . 1 . 2]" 1 468 1 33 LEU MD1 1 87 TYR QE . . 4.920 4.229 3.879 4.553 . 0 0 "[ . 1 . 2]" 1 469 1 33 LEU MD1 1 98 PHE HB3 . . 4.890 4.267 3.870 4.616 . 0 0 "[ . 1 . 2]" 1 470 1 33 LEU MD1 1 98 PHE QD . . 4.460 4.081 3.565 4.456 . 0 0 "[ . 1 . 2]" 1 471 1 33 LEU MD1 1 98 PHE QE . . 5.380 4.288 3.629 4.776 . 0 0 "[ . 1 . 2]" 1 472 1 33 LEU MD1 1 101 SER H . . 5.330 5.101 4.644 5.339 0.009 17 0 "[ . 1 . 2]" 1 473 1 33 LEU MD1 1 101 SER HA . . 4.110 3.324 2.813 3.661 . 0 0 "[ . 1 . 2]" 1 474 1 33 LEU MD1 1 101 SER QB . . 4.170 3.784 3.118 4.160 . 0 0 "[ . 1 . 2]" 1 475 1 33 LEU MD2 1 34 ARG H . . 5.280 4.654 4.531 4.772 . 0 0 "[ . 1 . 2]" 1 476 1 33 LEU MD2 1 37 ALA MB . . 4.890 4.724 4.370 4.890 . 0 0 "[ . 1 . 2]" 1 477 1 33 LEU MD2 1 41 LEU HB2 . . 4.870 3.981 3.381 4.377 . 0 0 "[ . 1 . 2]" 1 478 1 33 LEU MD2 1 41 LEU HB3 . . 4.580 3.583 3.141 3.959 . 0 0 "[ . 1 . 2]" 1 479 1 33 LEU MD2 1 41 LEU MD1 . . 4.310 4.014 3.507 4.302 . 0 0 "[ . 1 . 2]" 1 480 1 33 LEU MD2 1 41 LEU MD2 . . 3.180 2.007 1.819 2.434 . 0 0 "[ . 1 . 2]" 1 481 1 33 LEU MD2 1 41 LEU HG . . 5.500 4.469 4.113 4.866 . 0 0 "[ . 1 . 2]" 1 482 1 33 LEU MD2 1 43 VAL MG2 . . 4.890 3.770 3.573 3.994 . 0 0 "[ . 1 . 2]" 1 483 1 33 LEU MD2 1 98 PHE HB2 . . 4.130 2.750 2.322 3.173 . 0 0 "[ . 1 . 2]" 1 484 1 33 LEU MD2 1 98 PHE HB3 . . 3.940 2.375 2.025 2.626 . 0 0 "[ . 1 . 2]" 1 485 1 33 LEU MD2 1 98 PHE QD . . 3.850 2.964 2.534 3.160 . 0 0 "[ . 1 . 2]" 1 486 1 33 LEU MD2 1 98 PHE QE . . 4.260 3.959 3.653 4.208 . 0 0 "[ . 1 . 2]" 1 487 1 33 LEU MD2 1 98 PHE HZ . . 5.500 4.949 4.617 5.254 . 0 0 "[ . 1 . 2]" 1 488 1 33 LEU MD2 1 101 SER H . . 4.910 3.178 2.818 3.481 . 0 0 "[ . 1 . 2]" 1 489 1 33 LEU MD2 1 101 SER HA . . 3.830 2.088 1.965 2.258 . 0 0 "[ . 1 . 2]" 1 490 1 33 LEU MD2 1 101 SER QB . . 4.420 3.573 3.248 3.865 . 0 0 "[ . 1 . 2]" 1 491 1 33 LEU MD2 1 102 GLN H . . 5.130 3.940 3.642 4.204 . 0 0 "[ . 1 . 2]" 1 492 1 33 LEU HG 1 34 ARG H . . 4.960 4.782 4.694 4.895 . 0 0 "[ . 1 . 2]" 1 493 1 33 LEU HG 1 101 SER HA . . 4.970 4.799 4.308 4.971 0.001 13 0 "[ . 1 . 2]" 1 494 1 34 ARG H 1 34 ARG QB . . 2.850 2.332 2.161 2.615 . 0 0 "[ . 1 . 2]" 1 495 1 34 ARG H 1 34 ARG QD . . 4.840 3.690 2.025 4.311 . 0 0 "[ . 1 . 2]" 1 496 1 34 ARG H 1 34 ARG QG . . 3.500 2.599 1.965 3.369 . 0 0 "[ . 1 . 2]" 1 497 1 34 ARG H 1 35 LEU H . . 3.080 2.615 2.336 2.966 . 0 0 "[ . 1 . 2]" 1 498 1 34 ARG H 1 35 LEU QD . . 5.440 4.441 3.591 4.921 . 0 0 "[ . 1 . 2]" 1 499 1 34 ARG H 1 36 LYS H . . 4.550 4.265 4.027 4.504 . 0 0 "[ . 1 . 2]" 1 500 1 34 ARG HA 1 34 ARG QD . . 4.630 3.857 2.012 4.525 . 0 0 "[ . 1 . 2]" 1 501 1 34 ARG HA 1 34 ARG HG2 . . 3.860 3.047 2.336 3.861 0.001 5 0 "[ . 1 . 2]" 1 502 1 34 ARG HA 1 34 ARG QG . . 3.330 2.682 2.163 3.310 . 0 0 "[ . 1 . 2]" 1 503 1 34 ARG HA 1 34 ARG HG3 . . 3.860 3.166 2.185 3.878 0.018 4 0 "[ . 1 . 2]" 1 504 1 34 ARG HA 1 37 ALA H . . 4.250 4.087 3.617 4.247 . 0 0 "[ . 1 . 2]" 1 505 1 34 ARG HA 1 37 ALA MB . . 3.440 2.430 2.205 2.700 . 0 0 "[ . 1 . 2]" 1 506 1 34 ARG QB 1 34 ARG QD . . 3.370 2.246 2.023 2.739 . 0 0 "[ . 1 . 2]" 1 507 1 34 ARG QB 1 35 LEU H . . 3.420 2.631 2.118 3.402 . 0 0 "[ . 1 . 2]" 1 508 1 34 ARG QB 1 35 LEU MD1 . . 5.500 4.540 2.739 5.500 . 0 0 "[ . 1 . 2]" 1 509 1 34 ARG QB 1 35 LEU MD2 . . 5.500 4.164 2.254 5.318 . 0 0 "[ . 1 . 2]" 1 510 1 34 ARG QB 1 36 LYS H . . 5.440 4.960 4.593 5.444 0.004 7 0 "[ . 1 . 2]" 1 511 1 34 ARG QG 1 35 LEU H . . 5.040 3.433 1.871 4.292 . 0 0 "[ . 1 . 2]" 1 512 1 35 LEU H 1 35 LEU HB2 . . 3.090 2.367 2.192 2.640 . 0 0 "[ . 1 . 2]" 1 513 1 35 LEU H 1 35 LEU HB3 . . 3.660 3.558 3.501 3.587 . 0 0 "[ . 1 . 2]" 1 514 1 35 LEU H 1 35 LEU MD1 . . 4.290 3.399 2.189 4.040 . 0 0 "[ . 1 . 2]" 1 515 1 35 LEU H 1 35 LEU MD2 . . 4.290 3.389 1.881 4.079 . 0 0 "[ . 1 . 2]" 1 516 1 35 LEU H 1 35 LEU HG . . 3.900 2.771 2.004 3.885 . 0 0 "[ . 1 . 2]" 1 517 1 35 LEU H 1 36 LYS H . . 3.250 2.891 2.722 3.068 . 0 0 "[ . 1 . 2]" 1 518 1 35 LEU H 1 37 ALA H . . 4.770 4.325 3.966 4.491 . 0 0 "[ . 1 . 2]" 1 519 1 35 LEU HA 1 35 LEU MD1 . . 4.110 3.488 1.978 3.928 . 0 0 "[ . 1 . 2]" 1 520 1 35 LEU HA 1 35 LEU QD . . 2.900 2.231 1.909 2.872 . 0 0 "[ . 1 . 2]" 1 521 1 35 LEU HA 1 35 LEU MD2 . . 4.110 2.366 2.015 3.615 . 0 0 "[ . 1 . 2]" 1 522 1 35 LEU HA 1 35 LEU HG . . 3.960 2.968 2.323 3.731 . 0 0 "[ . 1 . 2]" 1 523 1 35 LEU HA 1 37 ALA H . . 4.190 3.804 3.689 3.957 . 0 0 "[ . 1 . 2]" 1 524 1 35 LEU HA 1 37 ALA MB . . 5.380 4.444 4.304 4.551 . 0 0 "[ . 1 . 2]" 1 525 1 35 LEU HB2 1 36 LYS H . . 3.960 2.384 2.239 2.575 . 0 0 "[ . 1 . 2]" 1 526 1 35 LEU HB3 1 35 LEU MD1 . . 3.290 2.481 2.103 3.146 . 0 0 "[ . 1 . 2]" 1 527 1 35 LEU HB3 1 35 LEU MD2 . . 3.290 2.401 2.089 3.196 . 0 0 "[ . 1 . 2]" 1 528 1 35 LEU HB3 1 36 LYS H . . 3.550 3.160 2.776 3.548 . 0 0 "[ . 1 . 2]" 1 529 1 35 LEU HB3 1 36 LYS QE . . 3.810 3.473 2.826 3.770 . 0 0 "[ . 1 . 2]" 1 530 1 35 LEU QD 1 36 LYS H . . 4.580 3.848 3.672 3.960 . 0 0 "[ . 1 . 2]" 1 531 1 35 LEU QD 1 36 LYS QE . . 4.260 3.825 3.510 4.238 . 0 0 "[ . 1 . 2]" 1 532 1 35 LEU MD1 1 36 LYS H . . 5.430 4.230 3.951 4.627 . 0 0 "[ . 1 . 2]" 1 533 1 35 LEU MD2 1 36 LYS H . . 5.430 4.495 3.866 4.686 . 0 0 "[ . 1 . 2]" 1 534 1 35 LEU HG 1 36 LYS H . . 4.870 4.526 3.949 4.848 . 0 0 "[ . 1 . 2]" 1 535 1 36 LYS H 1 36 LYS HB2 . . 3.160 2.560 2.494 2.638 . 0 0 "[ . 1 . 2]" 1 536 1 36 LYS H 1 36 LYS HB3 . . 3.920 3.649 3.629 3.677 . 0 0 "[ . 1 . 2]" 1 537 1 36 LYS H 1 36 LYS HD2 . . 4.880 4.770 4.536 4.883 0.003 17 0 "[ . 1 . 2]" 1 538 1 36 LYS H 1 36 LYS QD . . 4.230 3.676 3.295 3.818 . 0 0 "[ . 1 . 2]" 1 539 1 36 LYS H 1 36 LYS HD3 . . 4.880 3.825 3.383 3.993 . 0 0 "[ . 1 . 2]" 1 540 1 36 LYS H 1 36 LYS HG2 . . 4.020 2.307 2.095 2.503 . 0 0 "[ . 1 . 2]" 1 541 1 36 LYS H 1 36 LYS QG . . 3.510 2.283 2.077 2.470 . 0 0 "[ . 1 . 2]" 1 542 1 36 LYS H 1 36 LYS HG3 . . 4.020 3.647 3.426 3.795 . 0 0 "[ . 1 . 2]" 1 543 1 36 LYS H 1 37 ALA H . . 3.240 3.087 2.776 3.172 . 0 0 "[ . 1 . 2]" 1 544 1 36 LYS H 1 37 ALA MB . . 4.530 4.357 4.216 4.486 . 0 0 "[ . 1 . 2]" 1 545 1 36 LYS HA 1 36 LYS HD2 . . 3.790 3.284 2.901 3.790 0.000 1 0 "[ . 1 . 2]" 1 546 1 36 LYS HA 1 36 LYS QD . . 3.220 2.154 1.982 2.352 . 0 0 "[ . 1 . 2]" 1 547 1 36 LYS HA 1 36 LYS HD3 . . 3.790 2.186 2.005 2.407 . 0 0 "[ . 1 . 2]" 1 548 1 36 LYS HA 1 36 LYS QE . . 4.910 4.067 3.853 4.188 . 0 0 "[ . 1 . 2]" 1 549 1 36 LYS HA 1 38 LYS H . . 4.420 3.886 2.951 4.406 . 0 0 "[ . 1 . 2]" 1 550 1 36 LYS HA 1 39 SER H . . 4.350 3.407 3.089 3.586 . 0 0 "[ . 1 . 2]" 1 551 1 36 LYS HA 1 39 SER QB . . 4.410 3.468 2.841 4.224 . 0 0 "[ . 1 . 2]" 1 552 1 36 LYS HB2 1 41 LEU MD1 . . 4.600 2.146 1.882 2.539 . 0 0 "[ . 1 . 2]" 1 553 1 36 LYS HB3 1 36 LYS HD2 . . 4.150 2.495 2.339 2.718 . 0 0 "[ . 1 . 2]" 1 554 1 36 LYS HB3 1 36 LYS QD . . 3.590 2.337 2.247 2.463 . 0 0 "[ . 1 . 2]" 1 555 1 36 LYS HB3 1 36 LYS HD3 . . 4.150 2.863 2.466 3.089 . 0 0 "[ . 1 . 2]" 1 556 1 36 LYS HB3 1 36 LYS QE . . 4.730 3.997 3.874 4.116 . 0 0 "[ . 1 . 2]" 1 557 1 36 LYS HB3 1 37 ALA H . . 4.710 4.482 4.462 4.518 . 0 0 "[ . 1 . 2]" 1 558 1 36 LYS HB3 1 39 SER QB . . 4.450 3.208 2.539 4.173 . 0 0 "[ . 1 . 2]" 1 559 1 36 LYS HB3 1 41 LEU HB2 . . 4.710 3.682 3.350 4.100 . 0 0 "[ . 1 . 2]" 1 560 1 36 LYS HB3 1 41 LEU MD1 . . 3.920 2.559 2.218 2.821 . 0 0 "[ . 1 . 2]" 1 561 1 36 LYS HB3 1 41 LEU MD2 . . 4.930 4.442 3.775 4.884 . 0 0 "[ . 1 . 2]" 1 562 1 36 LYS HB3 1 71 SER HB2 . . 5.500 3.150 2.812 3.533 . 0 0 "[ . 1 . 2]" 1 563 1 36 LYS HB3 1 71 SER HB3 . . 5.500 3.679 2.985 4.131 . 0 0 "[ . 1 . 2]" 1 564 1 36 LYS QD 1 39 SER H . . 5.310 4.559 4.366 4.769 . 0 0 "[ . 1 . 2]" 1 565 1 36 LYS QD 1 39 SER QB . . 4.970 3.333 2.893 3.968 . 0 0 "[ . 1 . 2]" 1 566 1 36 LYS QD 1 71 SER QB . . 4.270 2.890 2.207 3.618 . 0 0 "[ . 1 . 2]" 1 567 1 36 LYS HD2 1 71 SER HB2 . . 5.500 3.374 2.251 4.203 . 0 0 "[ . 1 . 2]" 1 568 1 36 LYS HD2 1 71 SER HB3 . . 5.500 3.463 2.337 4.162 . 0 0 "[ . 1 . 2]" 1 569 1 36 LYS HD3 1 71 SER HB2 . . 5.500 4.881 3.952 5.508 0.008 13 0 "[ . 1 . 2]" 1 570 1 36 LYS HD3 1 71 SER HB3 . . 5.500 5.034 3.955 5.493 . 0 0 "[ . 1 . 2]" 1 571 1 36 LYS QE 1 36 LYS QG . . 2.910 2.141 2.069 2.309 . 0 0 "[ . 1 . 2]" 1 572 1 36 LYS QE 1 41 LEU MD1 . . 4.490 4.299 4.069 4.468 . 0 0 "[ . 1 . 2]" 1 573 1 36 LYS QE 1 71 SER QB . . 4.750 3.799 3.194 4.286 . 0 0 "[ . 1 . 2]" 1 574 1 36 LYS HE2 1 41 LEU MD1 . . 5.180 5.061 4.520 5.190 0.010 16 0 "[ . 1 . 2]" 1 575 1 36 LYS HE3 1 41 LEU MD1 . . 5.180 4.674 4.297 5.174 . 0 0 "[ . 1 . 2]" 1 576 1 36 LYS QG 1 41 LEU MD1 . . 3.790 2.527 2.054 2.753 . 0 0 "[ . 1 . 2]" 1 577 1 36 LYS QG 1 41 LEU MD2 . . 5.340 4.158 3.424 4.544 . 0 0 "[ . 1 . 2]" 1 578 1 36 LYS QG 1 71 SER QB . . 4.140 2.957 2.525 3.331 . 0 0 "[ . 1 . 2]" 1 579 1 36 LYS HG2 1 41 LEU MD1 . . 4.430 3.612 3.313 3.918 . 0 0 "[ . 1 . 2]" 1 580 1 36 LYS HG3 1 41 LEU MD1 . . 4.430 2.583 2.074 2.830 . 0 0 "[ . 1 . 2]" 1 581 1 37 ALA H 1 37 ALA MB . . 2.840 2.183 2.055 2.310 . 0 0 "[ . 1 . 2]" 1 582 1 37 ALA H 1 38 LYS H . . 3.740 2.613 2.476 2.892 . 0 0 "[ . 1 . 2]" 1 583 1 37 ALA HA 1 100 ASN H . . 3.480 2.959 2.649 3.282 . 0 0 "[ . 1 . 2]" 1 584 1 37 ALA HA 1 100 ASN HA . . 3.620 2.654 2.116 3.065 . 0 0 "[ . 1 . 2]" 1 585 1 37 ALA HA 1 101 SER H . . 4.020 3.176 2.754 3.655 . 0 0 "[ . 1 . 2]" 1 586 1 37 ALA MB 1 38 LYS H . . 3.530 2.535 2.148 3.535 0.005 8 0 "[ . 1 . 2]" 1 587 1 37 ALA MB 1 100 ASN H . . 4.090 3.758 3.376 4.077 . 0 0 "[ . 1 . 2]" 1 588 1 37 ALA MB 1 100 ASN HA . . 3.160 2.166 1.969 2.465 . 0 0 "[ . 1 . 2]" 1 589 1 37 ALA MB 1 100 ASN HB2 . . 4.630 4.272 3.773 4.629 . 0 0 "[ . 1 . 2]" 1 590 1 37 ALA MB 1 100 ASN HB3 . . 4.750 4.336 3.722 4.756 0.006 16 0 "[ . 1 . 2]" 1 591 1 37 ALA MB 1 100 ASN QD . . 4.970 3.872 2.250 4.606 . 0 0 "[ . 1 . 2]" 1 592 1 37 ALA MB 1 101 SER H . . 4.320 3.594 3.013 4.047 . 0 0 "[ . 1 . 2]" 1 593 1 37 ALA MB 1 101 SER HA . . 5.140 4.653 4.131 5.006 . 0 0 "[ . 1 . 2]" 1 594 1 37 ALA MB 1 101 SER QB . . 5.340 3.434 2.546 4.365 . 0 0 "[ . 1 . 2]" 1 595 1 38 LYS H 1 38 LYS HB2 . . 3.860 2.565 2.192 3.603 . 0 0 "[ . 1 . 2]" 1 596 1 38 LYS H 1 38 LYS QB . . 3.080 2.352 2.171 2.530 . 0 0 "[ . 1 . 2]" 1 597 1 38 LYS H 1 38 LYS HB3 . . 3.860 3.398 2.337 3.740 . 0 0 "[ . 1 . 2]" 1 598 1 38 LYS H 1 38 LYS HG2 . . 4.150 3.227 2.119 4.086 . 0 0 "[ . 1 . 2]" 1 599 1 38 LYS H 1 38 LYS QG . . 3.630 2.610 2.100 3.423 . 0 0 "[ . 1 . 2]" 1 600 1 38 LYS H 1 38 LYS HG3 . . 4.150 3.058 2.171 3.982 . 0 0 "[ . 1 . 2]" 1 601 1 38 LYS HA 1 38 LYS QD . . 4.190 3.528 2.015 4.213 0.023 10 0 "[ . 1 . 2]" 1 602 1 38 LYS HA 1 38 LYS QE . . 5.160 4.115 1.959 5.162 0.002 4 0 "[ . 1 . 2]" 1 603 1 38 LYS HA 1 38 LYS HG2 . . 3.940 2.904 2.265 3.940 . 0 0 "[ . 1 . 2]" 1 604 1 38 LYS HA 1 38 LYS QG . . 3.280 2.543 2.189 3.324 0.044 13 0 "[ . 1 . 2]" 1 605 1 38 LYS HA 1 38 LYS HG3 . . 3.940 3.176 2.211 3.785 . 0 0 "[ . 1 . 2]" 1 606 1 38 LYS QB 1 39 SER H . . 3.680 2.695 2.382 3.621 . 0 0 "[ . 1 . 2]" 1 607 1 38 LYS HB2 1 39 SER H . . 4.230 2.842 2.425 4.152 . 0 0 "[ . 1 . 2]" 1 608 1 38 LYS HB3 1 39 SER H . . 4.230 3.519 3.254 3.989 . 0 0 "[ . 1 . 2]" 1 609 1 38 LYS QD 1 38 LYS QG . . 2.400 2.056 2.023 2.092 . 0 0 "[ . 1 . 2]" 1 610 1 38 LYS QE 1 38 LYS HG2 . . 3.920 2.551 2.072 3.441 . 0 0 "[ . 1 . 2]" 1 611 1 38 LYS QE 1 38 LYS HG3 . . 3.920 2.743 2.140 3.485 . 0 0 "[ . 1 . 2]" 1 612 1 38 LYS QG 1 39 SER H . . 5.340 3.927 2.233 4.536 . 0 0 "[ . 1 . 2]" 1 613 1 39 SER H 1 39 SER HB2 . . 3.790 2.578 2.216 3.622 . 0 0 "[ . 1 . 2]" 1 614 1 39 SER H 1 39 SER QB . . 3.170 2.386 2.193 2.647 . 0 0 "[ . 1 . 2]" 1 615 1 39 SER H 1 39 SER HB3 . . 3.790 3.383 2.514 3.724 . 0 0 "[ . 1 . 2]" 1 616 1 39 SER H 1 40 LEU H . . 4.850 4.563 4.496 4.612 . 0 0 "[ . 1 . 2]" 1 617 1 39 SER QB 1 40 LEU H . . 3.180 2.382 2.009 2.992 . 0 0 "[ . 1 . 2]" 1 618 1 39 SER HB2 1 40 LEU H . . 3.880 3.437 2.021 3.875 . 0 0 "[ . 1 . 2]" 1 619 1 39 SER HB3 1 40 LEU H . . 3.880 2.639 2.054 3.749 . 0 0 "[ . 1 . 2]" 1 620 1 40 LEU H 1 40 LEU HB2 . . 3.310 2.857 2.687 3.039 . 0 0 "[ . 1 . 2]" 1 621 1 40 LEU H 1 40 LEU HB3 . . 3.170 2.314 2.218 2.405 . 0 0 "[ . 1 . 2]" 1 622 1 40 LEU H 1 40 LEU MD2 . . 4.280 4.209 4.092 4.290 0.010 1 0 "[ . 1 . 2]" 1 623 1 40 LEU H 1 70 VAL HA . . 4.160 3.195 2.841 3.518 . 0 0 "[ . 1 . 2]" 1 624 1 40 LEU H 1 70 VAL MG1 . . 4.690 4.247 3.573 4.542 . 0 0 "[ . 1 . 2]" 1 625 1 40 LEU H 1 70 VAL MG2 . . 4.620 3.871 3.638 4.302 . 0 0 "[ . 1 . 2]" 1 626 1 40 LEU H 1 99 LYS QD . . 4.960 4.441 4.033 4.960 . 0 0 "[ . 1 . 2]" 1 627 1 40 LEU H 1 99 LYS QE . . 5.340 4.501 3.381 5.288 . 0 0 "[ . 1 . 2]" 1 628 1 40 LEU HA 1 40 LEU MD1 . . 3.150 2.259 1.989 2.603 . 0 0 "[ . 1 . 2]" 1 629 1 40 LEU HA 1 40 LEU MD2 . . 4.560 3.952 3.908 4.019 . 0 0 "[ . 1 . 2]" 1 630 1 40 LEU HA 1 41 LEU H . . 2.910 2.150 2.140 2.182 . 0 0 "[ . 1 . 2]" 1 631 1 40 LEU HA 1 41 LEU MD1 . . 5.500 5.319 5.152 5.501 0.001 4 0 "[ . 1 . 2]" 1 632 1 40 LEU HA 1 70 VAL MG1 . . 5.110 4.778 4.267 5.021 . 0 0 "[ . 1 . 2]" 1 633 1 40 LEU HA 1 70 VAL MG2 . . 5.500 5.190 4.921 5.483 . 0 0 "[ . 1 . 2]" 1 634 1 40 LEU HA 1 98 PHE H . . 5.500 5.218 4.863 5.483 . 0 0 "[ . 1 . 2]" 1 635 1 40 LEU HA 1 99 LYS QE . . 4.750 3.324 2.423 3.825 . 0 0 "[ . 1 . 2]" 1 636 1 40 LEU HB2 1 70 VAL MG1 . . 5.070 4.380 3.729 4.652 . 0 0 "[ . 1 . 2]" 1 637 1 40 LEU HB2 1 99 LYS QE . . 4.640 2.454 1.991 3.413 . 0 0 "[ . 1 . 2]" 1 638 1 40 LEU HB2 1 123 ALA HA . . 4.530 3.279 2.676 4.160 . 0 0 "[ . 1 . 2]" 1 639 1 40 LEU HB3 1 40 LEU MD2 . . 3.160 2.301 2.106 2.369 . 0 0 "[ . 1 . 2]" 1 640 1 40 LEU HB3 1 41 LEU H . . 4.680 4.350 4.210 4.454 . 0 0 "[ . 1 . 2]" 1 641 1 40 LEU HB3 1 42 VAL MG2 . . 4.630 4.419 4.211 4.603 . 0 0 "[ . 1 . 2]" 1 642 1 40 LEU HB3 1 70 VAL HA . . 3.940 3.035 2.618 3.313 . 0 0 "[ . 1 . 2]" 1 643 1 40 LEU HB3 1 70 VAL MG1 . . 3.610 2.976 2.215 3.305 . 0 0 "[ . 1 . 2]" 1 644 1 40 LEU HB3 1 70 VAL MG2 . . 3.590 2.548 2.295 2.866 . 0 0 "[ . 1 . 2]" 1 645 1 40 LEU HB3 1 71 SER H . . 4.840 3.996 3.605 4.413 . 0 0 "[ . 1 . 2]" 1 646 1 40 LEU HB3 1 123 ALA HA . . 4.360 3.213 2.806 4.021 . 0 0 "[ . 1 . 2]" 1 647 1 40 LEU MD1 1 41 LEU H . . 3.250 2.591 2.268 2.995 . 0 0 "[ . 1 . 2]" 1 648 1 40 LEU MD1 1 41 LEU HA . . 4.990 4.411 4.129 4.664 . 0 0 "[ . 1 . 2]" 1 649 1 40 LEU MD1 1 42 VAL HA . . 5.020 4.428 4.209 4.772 . 0 0 "[ . 1 . 2]" 1 650 1 40 LEU MD1 1 42 VAL MG2 . . 3.780 3.071 2.753 3.522 . 0 0 "[ . 1 . 2]" 1 651 1 40 LEU MD1 1 70 VAL MG1 . . 4.300 4.054 3.764 4.294 . 0 0 "[ . 1 . 2]" 1 652 1 40 LEU MD1 1 97 PHE HA . . 4.270 3.484 3.238 3.732 . 0 0 "[ . 1 . 2]" 1 653 1 40 LEU MD1 1 97 PHE HB2 . . 4.270 4.071 3.874 4.270 0.000 6 0 "[ . 1 . 2]" 1 654 1 40 LEU MD1 1 97 PHE HB3 . . 3.340 2.588 2.374 2.812 . 0 0 "[ . 1 . 2]" 1 655 1 40 LEU MD1 1 97 PHE QD . . 3.350 2.433 2.036 2.720 . 0 0 "[ . 1 . 2]" 1 656 1 40 LEU MD1 1 98 PHE H . . 3.890 3.401 2.879 3.817 . 0 0 "[ . 1 . 2]" 1 657 1 40 LEU MD1 1 99 LYS QB . . 4.180 3.504 2.803 3.931 . 0 0 "[ . 1 . 2]" 1 658 1 40 LEU MD1 1 99 LYS QD . . 4.130 2.674 1.941 3.386 . 0 0 "[ . 1 . 2]" 1 659 1 40 LEU MD1 1 99 LYS QE . . 3.640 2.360 1.938 3.442 . 0 0 "[ . 1 . 2]" 1 660 1 40 LEU MD1 1 104 ILE MD . . 3.140 2.967 2.635 3.140 0.000 9 0 "[ . 1 . 2]" 1 661 1 40 LEU MD1 1 104 ILE HG12 . . 4.870 4.071 3.767 4.258 . 0 0 "[ . 1 . 2]" 1 662 1 40 LEU MD1 1 104 ILE HG13 . . 4.870 4.450 4.157 4.594 . 0 0 "[ . 1 . 2]" 1 663 1 40 LEU MD1 1 119 VAL HA . . 4.880 4.538 3.951 4.882 0.002 6 0 "[ . 1 . 2]" 1 664 1 40 LEU MD1 1 122 HIS H . . 5.500 4.857 4.299 5.131 . 0 0 "[ . 1 . 2]" 1 665 1 40 LEU MD1 1 122 HIS HB3 . . 3.350 2.196 1.973 2.501 . 0 0 "[ . 1 . 2]" 1 666 1 40 LEU MD1 1 122 HIS HD2 . . 5.110 3.844 3.306 4.207 . 0 0 "[ . 1 . 2]" 1 667 1 40 LEU MD2 1 42 VAL MG2 . . 3.260 2.950 2.628 3.194 . 0 0 "[ . 1 . 2]" 1 668 1 40 LEU MD2 1 70 VAL MG1 . . 3.210 2.551 2.255 3.043 . 0 0 "[ . 1 . 2]" 1 669 1 40 LEU MD2 1 97 PHE HB3 . . 4.380 4.291 4.031 4.382 0.002 8 0 "[ . 1 . 2]" 1 670 1 40 LEU MD2 1 97 PHE QD . . 3.820 2.953 2.647 3.228 . 0 0 "[ . 1 . 2]" 1 671 1 40 LEU MD2 1 97 PHE QE . . 4.810 3.595 3.116 4.011 . 0 0 "[ . 1 . 2]" 1 672 1 40 LEU MD2 1 99 LYS QE . . 4.500 3.471 2.879 4.312 . 0 0 "[ . 1 . 2]" 1 673 1 40 LEU MD2 1 119 VAL HA . . 3.330 2.923 2.445 3.161 . 0 0 "[ . 1 . 2]" 1 674 1 40 LEU MD2 1 122 HIS H . . 4.210 3.832 3.575 4.199 . 0 0 "[ . 1 . 2]" 1 675 1 40 LEU MD2 1 122 HIS HA . . 4.880 3.936 3.652 4.387 . 0 0 "[ . 1 . 2]" 1 676 1 40 LEU MD2 1 122 HIS HB2 . . 3.460 1.966 1.803 2.153 . 0 0 "[ . 1 . 2]" 1 677 1 40 LEU MD2 1 122 HIS HB3 . . 3.710 2.674 2.303 3.384 . 0 0 "[ . 1 . 2]" 1 678 1 40 LEU MD2 1 122 HIS HD2 . . 5.230 3.628 3.157 4.019 . 0 0 "[ . 1 . 2]" 1 679 1 40 LEU MD2 1 123 ALA H . . 3.550 2.536 1.953 3.310 . 0 0 "[ . 1 . 2]" 1 680 1 40 LEU MD2 1 123 ALA HA . . 3.320 2.120 1.896 2.483 . 0 0 "[ . 1 . 2]" 1 681 1 40 LEU MD2 1 124 SER H . . 4.600 4.248 3.975 4.538 . 0 0 "[ . 1 . 2]" 1 682 1 40 LEU MD2 1 124 SER QB . . 5.500 5.467 5.035 5.526 0.026 8 0 "[ . 1 . 2]" 1 683 1 40 LEU HG 1 41 LEU H . . 3.800 3.373 3.018 3.795 . 0 0 "[ . 1 . 2]" 1 684 1 40 LEU HG 1 42 VAL MG2 . . 3.270 2.535 2.250 2.835 . 0 0 "[ . 1 . 2]" 1 685 1 40 LEU HG 1 70 VAL HA . . 4.680 4.397 4.037 4.655 . 0 0 "[ . 1 . 2]" 1 686 1 40 LEU HG 1 70 VAL MG1 . . 3.380 2.727 2.430 3.033 . 0 0 "[ . 1 . 2]" 1 687 1 40 LEU HG 1 97 PHE QD . . 4.810 3.686 3.362 4.030 . 0 0 "[ . 1 . 2]" 1 688 1 40 LEU HG 1 122 HIS HB3 . . 5.410 4.725 4.339 5.184 . 0 0 "[ . 1 . 2]" 1 689 1 41 LEU H 1 41 LEU HB2 . . 3.590 2.605 2.462 2.754 . 0 0 "[ . 1 . 2]" 1 690 1 41 LEU H 1 41 LEU HB3 . . 3.410 2.710 2.640 2.773 . 0 0 "[ . 1 . 2]" 1 691 1 41 LEU H 1 41 LEU MD1 . . 4.910 4.044 3.862 4.177 . 0 0 "[ . 1 . 2]" 1 692 1 41 LEU H 1 41 LEU MD2 . . 4.770 4.357 4.283 4.448 . 0 0 "[ . 1 . 2]" 1 693 1 41 LEU H 1 41 LEU HG . . 5.120 4.569 4.530 4.619 . 0 0 "[ . 1 . 2]" 1 694 1 41 LEU H 1 42 VAL H . . 4.880 4.523 4.480 4.571 . 0 0 "[ . 1 . 2]" 1 695 1 41 LEU H 1 42 VAL MG2 . . 4.790 4.251 4.113 4.411 . 0 0 "[ . 1 . 2]" 1 696 1 41 LEU H 1 98 PHE H . . 4.020 3.532 3.184 3.940 . 0 0 "[ . 1 . 2]" 1 697 1 41 LEU H 1 98 PHE HB2 . . 4.460 4.131 3.745 4.350 . 0 0 "[ . 1 . 2]" 1 698 1 41 LEU H 1 99 LYS QE . . 5.340 4.846 4.053 5.342 0.002 4 0 "[ . 1 . 2]" 1 699 1 41 LEU HA 1 41 LEU MD1 . . 3.290 2.253 1.975 2.559 . 0 0 "[ . 1 . 2]" 1 700 1 41 LEU HA 1 41 LEU MD2 . . 4.430 3.858 3.833 3.875 . 0 0 "[ . 1 . 2]" 1 701 1 41 LEU HA 1 41 LEU HG . . 4.080 2.755 2.627 2.925 . 0 0 "[ . 1 . 2]" 1 702 1 41 LEU HA 1 42 VAL H . . 2.820 2.218 2.157 2.297 . 0 0 "[ . 1 . 2]" 1 703 1 41 LEU HA 1 42 VAL MG2 . . 4.370 3.573 3.419 3.772 . 0 0 "[ . 1 . 2]" 1 704 1 41 LEU HA 1 43 VAL MG2 . . 5.500 5.119 4.945 5.303 . 0 0 "[ . 1 . 2]" 1 705 1 41 LEU HA 1 70 VAL MG1 . . 4.550 3.793 3.494 4.056 . 0 0 "[ . 1 . 2]" 1 706 1 41 LEU HA 1 71 SER H . . 3.610 3.120 2.883 3.412 . 0 0 "[ . 1 . 2]" 1 707 1 41 LEU HA 1 71 SER QB . . 3.650 2.470 2.075 3.006 . 0 0 "[ . 1 . 2]" 1 708 1 41 LEU HB2 1 41 LEU MD1 . . 3.140 2.214 2.063 2.355 . 0 0 "[ . 1 . 2]" 1 709 1 41 LEU HB2 1 41 LEU MD2 . . 3.650 2.539 2.376 2.699 . 0 0 "[ . 1 . 2]" 1 710 1 41 LEU HB2 1 42 VAL H . . 5.160 4.203 4.080 4.348 . 0 0 "[ . 1 . 2]" 1 711 1 41 LEU HB2 1 71 SER H . . 5.450 5.234 4.878 5.450 . 0 0 "[ . 1 . 2]" 1 712 1 41 LEU HB2 1 71 SER QB . . 4.520 3.715 3.338 3.992 . 0 0 "[ . 1 . 2]" 1 713 1 41 LEU HB2 1 98 PHE H . . 5.000 4.494 4.171 4.829 . 0 0 "[ . 1 . 2]" 1 714 1 41 LEU HB2 1 98 PHE HB2 . . 4.010 3.632 3.320 3.813 . 0 0 "[ . 1 . 2]" 1 715 1 41 LEU HB2 1 98 PHE HB3 . . 5.060 4.685 4.485 4.906 . 0 0 "[ . 1 . 2]" 1 716 1 41 LEU HB2 1 98 PHE QD . . 5.390 5.009 4.566 5.281 . 0 0 "[ . 1 . 2]" 1 717 1 41 LEU HB3 1 41 LEU MD2 . . 3.280 2.157 1.987 2.291 . 0 0 "[ . 1 . 2]" 1 718 1 41 LEU HB3 1 43 VAL MG2 . . 4.530 3.938 3.770 4.110 . 0 0 "[ . 1 . 2]" 1 719 1 41 LEU HB3 1 71 SER QB . . 5.040 4.759 4.477 5.022 . 0 0 "[ . 1 . 2]" 1 720 1 41 LEU HB3 1 97 PHE HA . . 5.390 4.691 4.367 5.070 . 0 0 "[ . 1 . 2]" 1 721 1 41 LEU HB3 1 98 PHE H . . 4.150 2.955 2.676 3.203 . 0 0 "[ . 1 . 2]" 1 722 1 41 LEU HB3 1 98 PHE HB2 . . 3.590 2.182 2.007 2.360 . 0 0 "[ . 1 . 2]" 1 723 1 41 LEU HB3 1 98 PHE HB3 . . 3.930 3.647 3.192 3.928 . 0 0 "[ . 1 . 2]" 1 724 1 41 LEU HB3 1 98 PHE QD . . 4.650 3.459 2.925 3.756 . 0 0 "[ . 1 . 2]" 1 725 1 41 LEU MD1 1 42 VAL H . . 3.480 3.117 2.602 3.433 . 0 0 "[ . 1 . 2]" 1 726 1 41 LEU MD1 1 43 VAL HA . . 5.500 5.410 4.983 5.512 0.012 17 0 "[ . 1 . 2]" 1 727 1 41 LEU MD1 1 71 SER H . . 4.670 4.006 3.262 4.391 . 0 0 "[ . 1 . 2]" 1 728 1 41 LEU MD1 1 71 SER QB . . 3.180 1.919 1.724 2.147 . 0 0 "[ . 1 . 2]" 1 729 1 41 LEU MD1 1 73 VAL MG1 . . 2.830 2.366 1.928 2.767 . 0 0 "[ . 1 . 2]" 1 730 1 41 LEU MD1 1 98 PHE H . . 5.500 5.459 5.310 5.505 0.005 15 0 "[ . 1 . 2]" 1 731 1 41 LEU MD2 1 42 VAL H . . 4.660 4.068 3.722 4.433 . 0 0 "[ . 1 . 2]" 1 732 1 41 LEU MD2 1 71 SER QB . . 4.510 4.272 4.009 4.481 . 0 0 "[ . 1 . 2]" 1 733 1 41 LEU MD2 1 73 VAL H . . 5.500 5.299 4.927 5.499 . 0 0 "[ . 1 . 2]" 1 734 1 41 LEU MD2 1 73 VAL HB . . 5.170 4.879 4.519 5.167 . 0 0 "[ . 1 . 2]" 1 735 1 41 LEU MD2 1 73 VAL MG1 . . 3.790 3.587 3.161 3.796 0.006 17 0 "[ . 1 . 2]" 1 736 1 41 LEU MD2 1 73 VAL MG2 . . 3.300 2.628 2.355 2.948 . 0 0 "[ . 1 . 2]" 1 737 1 41 LEU MD2 1 98 PHE H . . 5.020 4.148 3.860 4.603 . 0 0 "[ . 1 . 2]" 1 738 1 41 LEU MD2 1 98 PHE HA . . 5.500 5.119 4.914 5.379 . 0 0 "[ . 1 . 2]" 1 739 1 41 LEU MD2 1 98 PHE HB2 . . 3.740 2.478 2.221 2.855 . 0 0 "[ . 1 . 2]" 1 740 1 41 LEU MD2 1 98 PHE HB3 . . 4.200 3.477 3.225 3.677 . 0 0 "[ . 1 . 2]" 1 741 1 41 LEU MD2 1 98 PHE QD . . 3.800 2.750 2.232 3.397 . 0 0 "[ . 1 . 2]" 1 742 1 41 LEU HG 1 42 VAL H . . 3.860 2.450 2.091 2.887 . 0 0 "[ . 1 . 2]" 1 743 1 41 LEU HG 1 43 VAL H . . 5.020 4.303 3.994 4.474 . 0 0 "[ . 1 . 2]" 1 744 1 41 LEU HG 1 43 VAL MG2 . . 3.200 2.975 2.561 3.158 . 0 0 "[ . 1 . 2]" 1 745 1 41 LEU HG 1 71 SER HB2 . . 5.500 4.429 3.663 5.479 . 0 0 "[ . 1 . 2]" 1 746 1 41 LEU HG 1 71 SER HB3 . . 5.500 4.374 3.433 5.326 . 0 0 "[ . 1 . 2]" 1 747 1 41 LEU HG 1 73 VAL MG2 . . 3.930 2.471 2.150 2.785 . 0 0 "[ . 1 . 2]" 1 748 1 41 LEU HG 1 98 PHE H . . 5.500 4.748 4.448 4.938 . 0 0 "[ . 1 . 2]" 1 749 1 41 LEU HG 1 98 PHE HB2 . . 4.820 4.140 3.566 4.457 . 0 0 "[ . 1 . 2]" 1 750 1 41 LEU HG 1 98 PHE QD . . 4.410 4.087 3.625 4.412 0.002 11 0 "[ . 1 . 2]" 1 751 1 42 VAL H 1 42 VAL HB . . 3.270 2.712 2.589 2.790 . 0 0 "[ . 1 . 2]" 1 752 1 42 VAL H 1 42 VAL MG2 . . 3.510 2.917 2.753 3.144 . 0 0 "[ . 1 . 2]" 1 753 1 42 VAL H 1 70 VAL MG1 . . 4.380 4.009 3.400 4.247 . 0 0 "[ . 1 . 2]" 1 754 1 42 VAL H 1 71 SER H . . 4.580 4.186 3.676 4.466 . 0 0 "[ . 1 . 2]" 1 755 1 42 VAL H 1 71 SER QB . . 4.450 3.631 3.254 3.990 . 0 0 "[ . 1 . 2]" 1 756 1 42 VAL H 1 72 PHE QD . . 5.260 5.129 4.930 5.265 0.005 17 0 "[ . 1 . 2]" 1 757 1 42 VAL HA 1 42 VAL MG1 . . 3.290 2.356 2.304 2.474 . 0 0 "[ . 1 . 2]" 1 758 1 42 VAL HA 1 42 VAL MG2 . . 3.340 2.356 2.205 2.442 . 0 0 "[ . 1 . 2]" 1 759 1 42 VAL HA 1 43 VAL H . . 2.870 2.166 2.144 2.182 . 0 0 "[ . 1 . 2]" 1 760 1 42 VAL HA 1 43 VAL HB . . 5.010 4.628 4.498 4.674 . 0 0 "[ . 1 . 2]" 1 761 1 42 VAL HA 1 43 VAL MG2 . . 4.330 3.877 3.734 4.116 . 0 0 "[ . 1 . 2]" 1 762 1 42 VAL HA 1 97 PHE HA . . 3.520 2.758 2.370 3.005 . 0 0 "[ . 1 . 2]" 1 763 1 42 VAL HA 1 97 PHE QE . . 5.360 4.975 4.549 5.239 . 0 0 "[ . 1 . 2]" 1 764 1 42 VAL HA 1 98 PHE H . . 4.480 3.624 3.137 3.876 . 0 0 "[ . 1 . 2]" 1 765 1 42 VAL HB 1 43 VAL H . . 5.030 4.408 4.344 4.447 . 0 0 "[ . 1 . 2]" 1 766 1 42 VAL HB 1 70 VAL MG1 . . 4.380 3.583 3.007 3.903 . 0 0 "[ . 1 . 2]" 1 767 1 42 VAL HB 1 72 PHE HA . . 3.590 2.423 2.114 2.835 . 0 0 "[ . 1 . 2]" 1 768 1 42 VAL HB 1 72 PHE HB2 . . 5.490 5.002 4.554 5.429 . 0 0 "[ . 1 . 2]" 1 769 1 42 VAL HB 1 72 PHE HB3 . . 5.060 4.103 3.555 4.427 . 0 0 "[ . 1 . 2]" 1 770 1 42 VAL HB 1 72 PHE QD . . 3.720 3.096 2.692 3.638 . 0 0 "[ . 1 . 2]" 1 771 1 42 VAL HB 1 72 PHE QE . . 4.580 4.012 3.670 4.496 . 0 0 "[ . 1 . 2]" 1 772 1 42 VAL HB 1 73 VAL H . . 4.390 3.502 3.206 3.892 . 0 0 "[ . 1 . 2]" 1 773 1 42 VAL MG1 1 43 VAL H . . 3.450 3.010 2.749 3.175 . 0 0 "[ . 1 . 2]" 1 774 1 42 VAL MG1 1 43 VAL HA . . 5.130 3.995 3.842 4.143 . 0 0 "[ . 1 . 2]" 1 775 1 42 VAL MG1 1 44 HIS HB2 . . 4.400 3.335 3.103 3.807 . 0 0 "[ . 1 . 2]" 1 776 1 42 VAL MG1 1 60 MET ME . . 3.660 3.457 3.049 3.661 0.001 13 0 "[ . 1 . 2]" 1 777 1 42 VAL MG1 1 60 MET HG2 . . 4.840 4.017 3.795 4.455 . 0 0 "[ . 1 . 2]" 1 778 1 42 VAL MG1 1 70 VAL MG1 . . 4.530 4.223 3.805 4.520 . 0 0 "[ . 1 . 2]" 1 779 1 42 VAL MG1 1 72 PHE HA . . 4.430 3.653 3.358 4.157 . 0 0 "[ . 1 . 2]" 1 780 1 42 VAL MG1 1 72 PHE HB3 . . 4.960 4.273 3.809 4.824 . 0 0 "[ . 1 . 2]" 1 781 1 42 VAL MG1 1 72 PHE QD . . 3.560 2.859 2.437 3.439 . 0 0 "[ . 1 . 2]" 1 782 1 42 VAL MG1 1 72 PHE QE . . 4.320 3.267 2.708 3.850 . 0 0 "[ . 1 . 2]" 1 783 1 42 VAL MG1 1 73 VAL H . . 5.080 3.932 3.650 4.407 . 0 0 "[ . 1 . 2]" 1 784 1 42 VAL MG1 1 95 PHE HA . . 5.000 3.929 3.402 4.387 . 0 0 "[ . 1 . 2]" 1 785 1 42 VAL MG1 1 95 PHE HB2 . . 4.710 4.212 3.666 4.696 . 0 0 "[ . 1 . 2]" 1 786 1 42 VAL MG1 1 95 PHE HB3 . . 3.900 2.797 2.285 3.222 . 0 0 "[ . 1 . 2]" 1 787 1 42 VAL MG1 1 95 PHE QD . . 3.210 2.565 2.174 2.884 . 0 0 "[ . 1 . 2]" 1 788 1 42 VAL MG1 1 96 LEU H . . 4.810 3.493 3.227 3.914 . 0 0 "[ . 1 . 2]" 1 789 1 42 VAL MG1 1 97 PHE HA . . 4.890 4.029 3.655 4.301 . 0 0 "[ . 1 . 2]" 1 790 1 42 VAL MG1 1 97 PHE HZ . . 4.810 4.093 3.574 4.570 . 0 0 "[ . 1 . 2]" 1 791 1 42 VAL MG1 1 115 LEU MD1 . . 3.380 3.009 2.676 3.259 . 0 0 "[ . 1 . 2]" 1 792 1 42 VAL MG1 1 115 LEU MD2 . . 4.440 3.998 3.696 4.236 . 0 0 "[ . 1 . 2]" 1 793 1 42 VAL MG1 1 119 VAL MG1 . . 4.450 4.102 3.672 4.435 . 0 0 "[ . 1 . 2]" 1 794 1 42 VAL MG1 1 119 VAL MG2 . . 3.600 3.073 2.555 3.371 . 0 0 "[ . 1 . 2]" 1 795 1 42 VAL MG2 1 70 VAL MG1 . . 3.090 2.394 2.021 2.683 . 0 0 "[ . 1 . 2]" 1 796 1 42 VAL MG2 1 71 SER H . . 4.930 3.970 3.653 4.435 . 0 0 "[ . 1 . 2]" 1 797 1 42 VAL MG2 1 72 PHE HA . . 4.550 3.798 3.531 4.069 . 0 0 "[ . 1 . 2]" 1 798 1 42 VAL MG2 1 72 PHE HB3 . . 5.500 5.159 4.670 5.499 . 0 0 "[ . 1 . 2]" 1 799 1 42 VAL MG2 1 72 PHE QD . . 4.230 3.729 3.194 4.125 . 0 0 "[ . 1 . 2]" 1 800 1 42 VAL MG2 1 72 PHE QE . . 4.300 3.336 2.707 3.754 . 0 0 "[ . 1 . 2]" 1 801 1 42 VAL MG2 1 97 PHE HA . . 4.270 3.400 2.954 3.735 . 0 0 "[ . 1 . 2]" 1 802 1 42 VAL MG2 1 97 PHE HB3 . . 4.670 4.098 3.467 4.526 . 0 0 "[ . 1 . 2]" 1 803 1 42 VAL MG2 1 97 PHE QD . . 3.560 2.488 1.964 3.015 . 0 0 "[ . 1 . 2]" 1 804 1 42 VAL MG2 1 97 PHE QE . . 3.940 2.697 2.376 3.131 . 0 0 "[ . 1 . 2]" 1 805 1 42 VAL MG2 1 98 PHE H . . 5.160 4.261 3.922 4.588 . 0 0 "[ . 1 . 2]" 1 806 1 42 VAL MG2 1 119 VAL HA . . 4.470 3.604 3.322 3.843 . 0 0 "[ . 1 . 2]" 1 807 1 42 VAL MG2 1 119 VAL MG1 . . 3.790 2.985 2.344 3.301 . 0 0 "[ . 1 . 2]" 1 808 1 42 VAL MG2 1 119 VAL MG2 . . 3.160 2.913 2.491 3.161 0.001 3 0 "[ . 1 . 2]" 1 809 1 42 VAL MG2 1 122 HIS HB2 . . 5.500 4.748 4.222 5.128 . 0 0 "[ . 1 . 2]" 1 810 1 43 VAL H 1 43 VAL HB . . 3.440 2.481 2.344 2.533 . 0 0 "[ . 1 . 2]" 1 811 1 43 VAL H 1 43 VAL MG1 . . 3.920 3.778 3.706 3.805 . 0 0 "[ . 1 . 2]" 1 812 1 43 VAL H 1 43 VAL MG2 . . 3.330 2.495 2.321 2.751 . 0 0 "[ . 1 . 2]" 1 813 1 43 VAL H 1 95 PHE HA . . 5.300 4.662 4.340 5.012 . 0 0 "[ . 1 . 2]" 1 814 1 43 VAL H 1 96 LEU HB2 . . 5.210 3.607 3.339 4.037 . 0 0 "[ . 1 . 2]" 1 815 1 43 VAL H 1 96 LEU HB3 . . 5.490 4.399 4.107 4.819 . 0 0 "[ . 1 . 2]" 1 816 1 43 VAL H 1 97 PHE HA . . 4.330 3.647 3.210 3.871 . 0 0 "[ . 1 . 2]" 1 817 1 43 VAL H 1 98 PHE QD . . 5.210 3.509 2.898 3.948 . 0 0 "[ . 1 . 2]" 1 818 1 43 VAL H 1 98 PHE QE . . 4.650 4.101 3.462 4.558 . 0 0 "[ . 1 . 2]" 1 819 1 43 VAL HA 1 43 VAL MG1 . . 3.390 2.407 2.305 2.470 . 0 0 "[ . 1 . 2]" 1 820 1 43 VAL HA 1 43 VAL MG2 . . 3.430 2.368 2.207 2.431 . 0 0 "[ . 1 . 2]" 1 821 1 43 VAL HA 1 44 HIS H . . 3.030 2.177 2.140 2.297 . 0 0 "[ . 1 . 2]" 1 822 1 43 VAL HA 1 73 VAL H . . 3.750 3.402 3.068 3.593 . 0 0 "[ . 1 . 2]" 1 823 1 43 VAL HA 1 73 VAL HB . . 4.410 4.295 3.966 4.407 . 0 0 "[ . 1 . 2]" 1 824 1 43 VAL HA 1 73 VAL MG1 . . 4.790 4.702 4.542 4.799 0.009 17 0 "[ . 1 . 2]" 1 825 1 43 VAL HA 1 73 VAL MG2 . . 3.460 2.072 1.936 2.265 . 0 0 "[ . 1 . 2]" 1 826 1 43 VAL HB 1 44 HIS H . . 4.940 4.356 3.843 4.489 . 0 0 "[ . 1 . 2]" 1 827 1 43 VAL HB 1 45 PHE QE . . 4.990 4.049 3.129 4.490 . 0 0 "[ . 1 . 2]" 1 828 1 43 VAL HB 1 96 LEU H . . 3.920 3.037 2.250 3.246 . 0 0 "[ . 1 . 2]" 1 829 1 43 VAL HB 1 96 LEU HB2 . . 3.790 2.108 1.999 2.524 . 0 0 "[ . 1 . 2]" 1 830 1 43 VAL HB 1 96 LEU HB3 . . 4.440 3.413 3.135 3.797 . 0 0 "[ . 1 . 2]" 1 831 1 43 VAL HB 1 98 PHE QD . . 5.060 3.495 3.060 4.013 . 0 0 "[ . 1 . 2]" 1 832 1 43 VAL HB 1 98 PHE QE . . 3.990 2.520 2.052 3.029 . 0 0 "[ . 1 . 2]" 1 833 1 43 VAL MG1 1 44 HIS H . . 3.530 2.874 2.030 3.210 . 0 0 "[ . 1 . 2]" 1 834 1 43 VAL MG1 1 45 PHE H . . 4.990 4.211 3.693 4.653 . 0 0 "[ . 1 . 2]" 1 835 1 43 VAL MG1 1 45 PHE HA . . 5.100 4.074 3.820 4.358 . 0 0 "[ . 1 . 2]" 1 836 1 43 VAL MG1 1 45 PHE QD . . 3.910 3.159 2.736 3.607 . 0 0 "[ . 1 . 2]" 1 837 1 43 VAL MG1 1 45 PHE QE . . 3.290 2.643 2.204 3.009 . 0 0 "[ . 1 . 2]" 1 838 1 43 VAL MG1 1 45 PHE HZ . . 4.110 3.949 3.575 4.110 0.000 17 0 "[ . 1 . 2]" 1 839 1 43 VAL MG1 1 73 VAL H . . 5.500 5.157 4.872 5.308 . 0 0 "[ . 1 . 2]" 1 840 1 43 VAL MG1 1 73 VAL HB . . 5.500 4.597 4.255 5.058 . 0 0 "[ . 1 . 2]" 1 841 1 43 VAL MG1 1 74 LYS HA . . 4.330 3.857 3.605 4.114 . 0 0 "[ . 1 . 2]" 1 842 1 43 VAL MG1 1 75 LEU H . . 4.170 3.362 3.212 3.730 . 0 0 "[ . 1 . 2]" 1 843 1 43 VAL MG1 1 94 THR MG . . 5.500 4.902 4.232 5.237 . 0 0 "[ . 1 . 2]" 1 844 1 43 VAL MG1 1 96 LEU H . . 4.550 3.900 3.334 4.169 . 0 0 "[ . 1 . 2]" 1 845 1 43 VAL MG1 1 96 LEU HB2 . . 4.090 3.096 2.673 3.343 . 0 0 "[ . 1 . 2]" 1 846 1 43 VAL MG1 1 96 LEU HB3 . . 5.020 4.393 4.080 4.658 . 0 0 "[ . 1 . 2]" 1 847 1 43 VAL MG1 1 98 PHE QE . . 4.250 3.229 2.956 3.542 . 0 0 "[ . 1 . 2]" 1 848 1 43 VAL MG2 1 44 HIS H . . 4.550 4.112 3.731 4.235 . 0 0 "[ . 1 . 2]" 1 849 1 43 VAL MG2 1 74 LYS HA . . 5.500 5.325 4.992 5.496 . 0 0 "[ . 1 . 2]" 1 850 1 43 VAL MG2 1 75 LEU H . . 5.500 5.400 5.155 5.502 0.002 16 0 "[ . 1 . 2]" 1 851 1 43 VAL MG2 1 96 LEU H . . 4.910 4.354 3.807 4.566 . 0 0 "[ . 1 . 2]" 1 852 1 43 VAL MG2 1 97 PHE HA . . 5.200 4.865 4.501 5.061 . 0 0 "[ . 1 . 2]" 1 853 1 43 VAL MG2 1 98 PHE HB3 . . 5.500 4.936 4.614 5.247 . 0 0 "[ . 1 . 2]" 1 854 1 43 VAL MG2 1 98 PHE QD . . 3.400 2.120 1.977 2.447 . 0 0 "[ . 1 . 2]" 1 855 1 43 VAL MG2 1 98 PHE QE . . 3.340 2.136 1.973 2.616 . 0 0 "[ . 1 . 2]" 1 856 1 43 VAL MG2 1 98 PHE HZ . . 5.040 4.187 3.877 4.469 . 0 0 "[ . 1 . 2]" 1 857 1 44 HIS H 1 44 HIS HB2 . . 3.840 3.080 2.937 3.501 . 0 0 "[ . 1 . 2]" 1 858 1 44 HIS H 1 44 HIS HB3 . . 3.460 2.386 2.253 2.712 . 0 0 "[ . 1 . 2]" 1 859 1 44 HIS H 1 45 PHE QD . . 5.500 5.195 4.580 5.493 . 0 0 "[ . 1 . 2]" 1 860 1 44 HIS H 1 60 MET ME . . 4.160 3.413 3.016 4.071 . 0 0 "[ . 1 . 2]" 1 861 1 44 HIS H 1 73 VAL MG2 . . 4.430 3.436 3.182 3.595 . 0 0 "[ . 1 . 2]" 1 862 1 44 HIS H 1 74 LYS HA . . 3.580 2.593 2.270 2.815 . 0 0 "[ . 1 . 2]" 1 863 1 44 HIS H 1 74 LYS QB . . 5.180 4.043 3.804 4.219 . 0 0 "[ . 1 . 2]" 1 864 1 44 HIS H 1 75 LEU H . . 4.550 3.703 3.163 3.937 . 0 0 "[ . 1 . 2]" 1 865 1 44 HIS H 1 75 LEU QB . . 5.090 4.708 4.041 5.010 . 0 0 "[ . 1 . 2]" 1 866 1 44 HIS H 1 95 PHE QD . . 5.500 4.525 4.121 5.207 . 0 0 "[ . 1 . 2]" 1 867 1 44 HIS HB2 1 45 PHE H . . 4.790 4.091 3.883 4.307 . 0 0 "[ . 1 . 2]" 1 868 1 44 HIS HB2 1 60 MET ME . . 3.100 2.713 2.166 3.068 . 0 0 "[ . 1 . 2]" 1 869 1 44 HIS HB2 1 74 LYS HA . . 4.910 4.430 4.000 4.662 . 0 0 "[ . 1 . 2]" 1 870 1 44 HIS HB2 1 74 LYS QB . . 4.900 4.538 4.148 4.867 . 0 0 "[ . 1 . 2]" 1 871 1 44 HIS HB2 1 95 PHE QD . . 3.740 2.335 1.997 3.004 . 0 0 "[ . 1 . 2]" 1 872 1 44 HIS HB2 1 95 PHE QE . . 3.910 2.552 2.173 2.995 . 0 0 "[ . 1 . 2]" 1 873 1 44 HIS HB3 1 60 MET ME . . 3.330 2.100 1.942 2.357 . 0 0 "[ . 1 . 2]" 1 874 1 44 HIS HB3 1 74 LYS HA . . 3.900 2.799 2.426 3.013 . 0 0 "[ . 1 . 2]" 1 875 1 44 HIS HB3 1 74 LYS QB . . 4.570 3.031 2.695 3.355 . 0 0 "[ . 1 . 2]" 1 876 1 44 HIS HB3 1 75 LEU H . . 4.720 4.328 3.901 4.589 . 0 0 "[ . 1 . 2]" 1 877 1 44 HIS HB3 1 95 PHE QD . . 4.770 4.021 3.659 4.663 . 0 0 "[ . 1 . 2]" 1 878 1 44 HIS HB3 1 95 PHE QE . . 5.090 3.941 3.508 4.492 . 0 0 "[ . 1 . 2]" 1 879 1 44 HIS HD1 1 60 MET ME . . 5.190 2.642 1.988 3.076 . 0 0 "[ . 1 . 2]" 1 880 1 44 HIS HD2 1 45 PHE H . . 3.650 2.639 2.056 3.326 . 0 0 "[ . 1 . 2]" 1 881 1 44 HIS HD2 1 93 PRO HA . . 4.580 4.210 3.630 4.573 . 0 0 "[ . 1 . 2]" 1 882 1 44 HIS HD2 1 93 PRO HB2 . . 4.180 3.136 2.685 3.619 . 0 0 "[ . 1 . 2]" 1 883 1 44 HIS HD2 1 93 PRO HB3 . . 4.170 3.827 3.388 4.172 0.002 11 0 "[ . 1 . 2]" 1 884 1 44 HIS HD2 1 94 THR H . . 4.040 2.852 2.295 3.319 . 0 0 "[ . 1 . 2]" 1 885 1 44 HIS HD2 1 95 PHE QD . . 5.230 3.670 3.208 4.302 . 0 0 "[ . 1 . 2]" 1 886 1 44 HIS HD2 1 95 PHE QE . . 5.430 3.304 2.932 4.023 . 0 0 "[ . 1 . 2]" 1 887 1 44 HIS HE1 1 46 TRP QB . . 5.050 2.831 2.074 3.467 . 0 0 "[ . 1 . 2]" 1 888 1 44 HIS HE1 1 53 CYS HA . . 3.850 3.256 2.627 3.857 0.007 16 0 "[ . 1 . 2]" 1 889 1 44 HIS HE1 1 53 CYS QB . . 3.930 3.009 2.598 3.609 . 0 0 "[ . 1 . 2]" 1 890 1 44 HIS HE1 1 56 MET QB . . 4.090 2.931 2.100 3.605 . 0 0 "[ . 1 . 2]" 1 891 1 44 HIS HE1 1 57 ASN H . . 4.020 3.705 2.918 4.024 0.004 19 0 "[ . 1 . 2]" 1 892 1 45 PHE H 1 45 PHE HB2 . . 3.410 2.242 2.184 2.341 . 0 0 "[ . 1 . 2]" 1 893 1 45 PHE H 1 45 PHE HB3 . . 3.990 3.518 3.487 3.575 . 0 0 "[ . 1 . 2]" 1 894 1 45 PHE H 1 45 PHE QD . . 3.400 2.669 1.904 3.010 . 0 0 "[ . 1 . 2]" 1 895 1 45 PHE H 1 75 LEU H . . 5.470 4.909 4.727 5.243 . 0 0 "[ . 1 . 2]" 1 896 1 45 PHE H 1 89 ILE MG . . 5.070 4.944 4.763 5.071 0.001 19 0 "[ . 1 . 2]" 1 897 1 45 PHE H 1 94 THR H . . 4.120 2.618 2.327 2.937 . 0 0 "[ . 1 . 2]" 1 898 1 45 PHE H 1 94 THR HB . . 4.620 3.758 2.811 4.159 . 0 0 "[ . 1 . 2]" 1 899 1 45 PHE H 1 94 THR MG . . 4.610 4.202 3.978 4.582 . 0 0 "[ . 1 . 2]" 1 900 1 45 PHE H 1 95 PHE HA . . 4.270 3.382 3.064 3.934 . 0 0 "[ . 1 . 2]" 1 901 1 45 PHE H 1 96 LEU H . . 5.500 5.033 4.752 5.450 . 0 0 "[ . 1 . 2]" 1 902 1 45 PHE HA 1 45 PHE QD . . 4.350 3.014 2.866 3.055 . 0 0 "[ . 1 . 2]" 1 903 1 45 PHE HA 1 45 PHE QE . . 5.270 4.515 4.472 4.583 . 0 0 "[ . 1 . 2]" 1 904 1 45 PHE HA 1 46 TRP H . . 3.200 2.149 2.139 2.173 . 0 0 "[ . 1 . 2]" 1 905 1 45 PHE HA 1 46 TRP HD1 . . 4.430 4.126 3.846 4.425 . 0 0 "[ . 1 . 2]" 1 906 1 45 PHE HA 1 75 LEU H . . 4.030 3.230 2.936 3.569 . 0 0 "[ . 1 . 2]" 1 907 1 45 PHE HA 1 75 LEU QB . . 4.490 3.758 3.212 4.062 . 0 0 "[ . 1 . 2]" 1 908 1 45 PHE HA 1 75 LEU MD2 . . 5.060 3.390 2.978 3.945 . 0 0 "[ . 1 . 2]" 1 909 1 45 PHE HA 1 77 ALA MB . . 4.590 4.318 4.120 4.588 . 0 0 "[ . 1 . 2]" 1 910 1 45 PHE HA 1 92 VAL MG1 . . 5.170 3.914 3.657 4.236 . 0 0 "[ . 1 . 2]" 1 911 1 45 PHE HB2 1 46 TRP H . . 5.170 4.495 4.376 4.579 . 0 0 "[ . 1 . 2]" 1 912 1 45 PHE HB2 1 77 ALA MB . . 4.870 4.660 4.346 4.864 . 0 0 "[ . 1 . 2]" 1 913 1 45 PHE HB2 1 89 ILE MD . . 4.730 4.653 4.478 4.727 . 0 0 "[ . 1 . 2]" 1 914 1 45 PHE HB2 1 89 ILE MG . . 3.740 3.357 3.178 3.554 . 0 0 "[ . 1 . 2]" 1 915 1 45 PHE HB2 1 92 VAL MG1 . . 4.280 2.700 1.968 3.249 . 0 0 "[ . 1 . 2]" 1 916 1 45 PHE HB2 1 94 THR H . . 4.040 2.367 2.076 2.612 . 0 0 "[ . 1 . 2]" 1 917 1 45 PHE HB2 1 94 THR HB . . 3.400 2.177 1.999 2.445 . 0 0 "[ . 1 . 2]" 1 918 1 45 PHE HB2 1 94 THR MG . . 4.120 3.487 3.338 3.732 . 0 0 "[ . 1 . 2]" 1 919 1 45 PHE HB3 1 46 TRP H . . 4.750 3.646 3.355 3.858 . 0 0 "[ . 1 . 2]" 1 920 1 45 PHE HB3 1 77 ALA H . . 5.260 4.213 3.872 4.757 . 0 0 "[ . 1 . 2]" 1 921 1 45 PHE HB3 1 77 ALA HA . . 5.480 5.108 4.688 5.358 . 0 0 "[ . 1 . 2]" 1 922 1 45 PHE HB3 1 77 ALA MB . . 3.640 3.233 2.841 3.521 . 0 0 "[ . 1 . 2]" 1 923 1 45 PHE HB3 1 89 ILE MD . . 5.370 5.335 5.203 5.384 0.014 16 0 "[ . 1 . 2]" 1 924 1 45 PHE HB3 1 89 ILE MG . . 3.510 3.340 3.121 3.517 0.007 4 0 "[ . 1 . 2]" 1 925 1 45 PHE HB3 1 92 VAL MG1 . . 3.920 1.852 1.772 1.971 . 0 0 "[ . 1 . 2]" 1 926 1 45 PHE HB3 1 94 THR H . . 4.810 3.591 3.328 4.010 . 0 0 "[ . 1 . 2]" 1 927 1 45 PHE HB3 1 94 THR HB . . 4.030 3.372 3.109 3.775 . 0 0 "[ . 1 . 2]" 1 928 1 45 PHE HB3 1 94 THR MG . . 5.500 4.636 4.441 4.879 . 0 0 "[ . 1 . 2]" 1 929 1 45 PHE QD 1 75 LEU QB . . 4.970 4.465 3.962 4.767 . 0 0 "[ . 1 . 2]" 1 930 1 45 PHE QD 1 75 LEU MD2 . . 3.650 3.174 2.592 3.607 . 0 0 "[ . 1 . 2]" 1 931 1 45 PHE QD 1 77 ALA H . . 5.160 3.272 2.485 4.137 . 0 0 "[ . 1 . 2]" 1 932 1 45 PHE QD 1 77 ALA HA . . 3.560 3.017 2.617 3.472 . 0 0 "[ . 1 . 2]" 1 933 1 45 PHE QD 1 77 ALA MB . . 3.580 1.998 1.855 2.426 . 0 0 "[ . 1 . 2]" 1 934 1 45 PHE QD 1 89 ILE HB . . 5.070 3.975 3.522 4.429 . 0 0 "[ . 1 . 2]" 1 935 1 45 PHE QD 1 89 ILE MD . . 3.920 3.696 3.150 3.921 0.001 7 0 "[ . 1 . 2]" 1 936 1 45 PHE QD 1 89 ILE HG12 . . 5.500 5.345 5.195 5.508 0.008 3 0 "[ . 1 . 2]" 1 937 1 45 PHE QD 1 89 ILE HG13 . . 4.470 3.965 3.745 4.208 . 0 0 "[ . 1 . 2]" 1 938 1 45 PHE QD 1 89 ILE MG . . 3.820 2.537 2.162 2.745 . 0 0 "[ . 1 . 2]" 1 939 1 45 PHE QD 1 94 THR H . . 5.330 4.118 3.782 4.267 . 0 0 "[ . 1 . 2]" 1 940 1 45 PHE QD 1 94 THR HB . . 4.170 3.040 2.008 3.463 . 0 0 "[ . 1 . 2]" 1 941 1 45 PHE QD 1 94 THR MG . . 4.100 2.912 2.155 3.285 . 0 0 "[ . 1 . 2]" 1 942 1 45 PHE QD 1 96 LEU H . . 4.720 4.455 4.198 4.692 . 0 0 "[ . 1 . 2]" 1 943 1 45 PHE QD 1 96 LEU HB2 . . 5.500 4.317 3.975 4.655 . 0 0 "[ . 1 . 2]" 1 944 1 45 PHE QD 1 96 LEU MD1 . . 4.270 3.648 3.384 3.923 . 0 0 "[ . 1 . 2]" 1 945 1 45 PHE QD 1 96 LEU HG . . 4.730 3.790 3.426 4.158 . 0 0 "[ . 1 . 2]" 1 946 1 45 PHE QE 1 75 LEU QB . . 5.110 4.403 3.955 4.717 . 0 0 "[ . 1 . 2]" 1 947 1 45 PHE QE 1 75 LEU MD2 . . 3.580 2.764 2.094 3.334 . 0 0 "[ . 1 . 2]" 1 948 1 45 PHE QE 1 77 ALA MB . . 4.600 3.008 2.516 3.710 . 0 0 "[ . 1 . 2]" 1 949 1 45 PHE QE 1 83 VAL HB . . 4.830 4.750 4.500 4.830 0.000 7 0 "[ . 1 . 2]" 1 950 1 45 PHE QE 1 84 SER HA . . 3.810 2.984 2.680 3.624 . 0 0 "[ . 1 . 2]" 1 951 1 45 PHE QE 1 87 TYR HB2 . . 5.480 4.570 4.276 4.719 . 0 0 "[ . 1 . 2]" 1 952 1 45 PHE QE 1 87 TYR QD . . 5.030 4.898 4.750 5.015 . 0 0 "[ . 1 . 2]" 1 953 1 45 PHE QE 1 89 ILE HB . . 3.840 2.657 2.042 3.244 . 0 0 "[ . 1 . 2]" 1 954 1 45 PHE QE 1 89 ILE MD . . 4.070 3.185 2.422 3.511 . 0 0 "[ . 1 . 2]" 1 955 1 45 PHE QE 1 89 ILE HG12 . . 4.530 3.927 3.690 4.132 . 0 0 "[ . 1 . 2]" 1 956 1 45 PHE QE 1 89 ILE HG13 . . 4.500 2.512 2.307 2.805 . 0 0 "[ . 1 . 2]" 1 957 1 45 PHE QE 1 89 ILE MG . . 4.170 2.693 2.377 2.847 . 0 0 "[ . 1 . 2]" 1 958 1 45 PHE QE 1 94 THR MG . . 4.990 3.627 2.817 4.023 . 0 0 "[ . 1 . 2]" 1 959 1 45 PHE QE 1 96 LEU H . . 5.110 4.961 4.055 5.116 0.006 17 0 "[ . 1 . 2]" 1 960 1 45 PHE QE 1 96 LEU HB2 . . 3.930 3.472 2.863 3.804 . 0 0 "[ . 1 . 2]" 1 961 1 45 PHE QE 1 96 LEU HB3 . . 5.010 4.686 4.260 5.012 0.002 4 0 "[ . 1 . 2]" 1 962 1 45 PHE QE 1 96 LEU MD1 . . 3.430 1.990 1.853 2.300 . 0 0 "[ . 1 . 2]" 1 963 1 45 PHE QE 1 96 LEU HG . . 3.670 3.271 2.971 3.540 . 0 0 "[ . 1 . 2]" 1 964 1 45 PHE QE 1 98 PHE HZ . . 5.500 5.043 4.631 5.418 . 0 0 "[ . 1 . 2]" 1 965 1 45 PHE HZ 1 75 LEU MD2 . . 4.600 3.428 2.836 3.893 . 0 0 "[ . 1 . 2]" 1 966 1 45 PHE HZ 1 83 VAL MG1 . . 3.320 3.023 2.770 3.259 . 0 0 "[ . 1 . 2]" 1 967 1 45 PHE HZ 1 84 SER HA . . 4.670 2.907 2.481 4.095 . 0 0 "[ . 1 . 2]" 1 968 1 45 PHE HZ 1 87 TYR HB2 . . 4.850 3.880 3.646 4.199 . 0 0 "[ . 1 . 2]" 1 969 1 45 PHE HZ 1 87 TYR QD . . 4.250 4.183 3.820 4.253 0.003 15 0 "[ . 1 . 2]" 1 970 1 45 PHE HZ 1 89 ILE HA . . 5.500 5.505 5.482 5.594 0.094 15 0 "[ . 1 . 2]" 1 971 1 45 PHE HZ 1 89 ILE MD . . 4.220 3.809 2.700 4.016 . 0 0 "[ . 1 . 2]" 1 972 1 45 PHE HZ 1 89 ILE HG13 . . 4.670 2.219 1.963 2.346 . 0 0 "[ . 1 . 2]" 1 973 1 45 PHE HZ 1 89 ILE MG . . 3.930 3.344 3.166 3.525 . 0 0 "[ . 1 . 2]" 1 974 1 45 PHE HZ 1 94 THR MG . . 5.440 5.044 4.413 5.412 . 0 0 "[ . 1 . 2]" 1 975 1 45 PHE HZ 1 96 LEU MD1 . . 3.800 3.273 2.317 3.537 . 0 0 "[ . 1 . 2]" 1 976 1 45 PHE HZ 1 96 LEU HG . . 5.500 5.381 4.321 5.507 0.007 7 0 "[ . 1 . 2]" 1 977 1 46 TRP H 1 46 TRP HD1 . . 3.380 2.704 2.339 3.019 . 0 0 "[ . 1 . 2]" 1 978 1 46 TRP H 1 75 LEU H . . 4.380 3.570 3.216 3.909 . 0 0 "[ . 1 . 2]" 1 979 1 46 TRP H 1 76 GLU HA . . 4.530 3.163 2.756 3.598 . 0 0 "[ . 1 . 2]" 1 980 1 46 TRP H 1 77 ALA H . . 3.850 3.517 3.127 3.851 0.001 1 0 "[ . 1 . 2]" 1 981 1 46 TRP H 1 77 ALA MB . . 4.840 4.418 4.029 4.818 . 0 0 "[ . 1 . 2]" 1 982 1 46 TRP H 1 92 VAL MG1 . . 4.810 4.076 3.787 4.466 . 0 0 "[ . 1 . 2]" 1 983 1 46 TRP HA 1 47 ALA MB . . 5.220 3.890 3.801 3.995 . 0 0 "[ . 1 . 2]" 1 984 1 46 TRP HA 1 92 VAL HB . . 4.120 3.795 3.453 4.120 0.000 4 0 "[ . 1 . 2]" 1 985 1 46 TRP HA 1 92 VAL MG1 . . 4.780 3.879 3.474 4.215 . 0 0 "[ . 1 . 2]" 1 986 1 46 TRP HA 1 92 VAL MG2 . . 5.220 4.424 4.022 4.741 . 0 0 "[ . 1 . 2]" 1 987 1 46 TRP QB 1 46 TRP HE3 . . 3.530 2.560 2.476 2.629 . 0 0 "[ . 1 . 2]" 1 988 1 46 TRP QB 1 47 ALA H . . 4.030 3.049 2.800 3.368 . 0 0 "[ . 1 . 2]" 1 989 1 46 TRP QB 1 53 CYS QB . . 3.650 2.383 1.934 2.986 . 0 0 "[ . 1 . 2]" 1 990 1 46 TRP HD1 1 74 LYS HA . . 4.490 3.641 3.206 4.011 . 0 0 "[ . 1 . 2]" 1 991 1 46 TRP HD1 1 74 LYS QB . . 3.650 2.175 1.994 2.532 . 0 0 "[ . 1 . 2]" 1 992 1 46 TRP HD1 1 74 LYS QD . . 5.270 4.033 3.120 4.884 . 0 0 "[ . 1 . 2]" 1 993 1 46 TRP HD1 1 74 LYS QG . . 4.010 3.042 2.587 3.598 . 0 0 "[ . 1 . 2]" 1 994 1 46 TRP HD1 1 75 LEU H . . 3.270 2.945 2.524 3.171 . 0 0 "[ . 1 . 2]" 1 995 1 46 TRP HD1 1 75 LEU QB . . 4.850 4.580 4.345 4.848 . 0 0 "[ . 1 . 2]" 1 996 1 46 TRP HD1 1 76 GLU HA . . 4.150 3.698 3.458 3.903 . 0 0 "[ . 1 . 2]" 1 997 1 46 TRP HD1 1 77 ALA H . . 5.500 5.223 4.964 5.484 . 0 0 "[ . 1 . 2]" 1 998 1 46 TRP HE1 1 74 LYS QB . . 4.350 3.915 3.126 4.344 . 0 0 "[ . 1 . 2]" 1 999 1 46 TRP HE1 1 74 LYS QG . . 5.030 3.095 2.458 3.721 . 0 0 "[ . 1 . 2]" 1 1000 1 46 TRP HE1 1 75 LEU H . . 4.910 4.562 3.921 4.917 0.007 15 0 "[ . 1 . 2]" 1 1001 1 46 TRP HE1 1 76 GLU H . . 4.540 3.076 2.742 3.596 . 0 0 "[ . 1 . 2]" 1 1002 1 46 TRP HE1 1 76 GLU HA . . 5.340 3.557 3.255 4.053 . 0 0 "[ . 1 . 2]" 1 1003 1 46 TRP HE1 1 76 GLU HB2 . . 4.390 2.718 2.273 4.077 . 0 0 "[ . 1 . 2]" 1 1004 1 46 TRP HE1 1 76 GLU QG . . 4.810 3.853 2.261 4.284 . 0 0 "[ . 1 . 2]" 1 1005 1 46 TRP HE3 1 47 ALA H . . 3.920 3.230 2.920 3.549 . 0 0 "[ . 1 . 2]" 1 1006 1 46 TRP HE3 1 47 ALA HA . . 4.650 3.581 3.206 3.836 . 0 0 "[ . 1 . 2]" 1 1007 1 46 TRP HE3 1 47 ALA MB . . 5.160 4.424 4.214 4.605 . 0 0 "[ . 1 . 2]" 1 1008 1 46 TRP HE3 1 48 PRO HA . . 4.000 3.620 3.447 3.828 . 0 0 "[ . 1 . 2]" 1 1009 1 46 TRP HE3 1 48 PRO HB3 . . 4.880 4.764 4.579 4.890 0.010 15 0 "[ . 1 . 2]" 1 1010 1 46 TRP HE3 1 48 PRO QD . . 4.880 3.859 3.718 4.010 . 0 0 "[ . 1 . 2]" 1 1011 1 46 TRP HE3 1 53 CYS HB2 . . 4.670 4.138 3.637 4.643 . 0 0 "[ . 1 . 2]" 1 1012 1 46 TRP HE3 1 53 CYS QB . . 3.960 3.737 3.282 3.974 0.014 15 0 "[ . 1 . 2]" 1 1013 1 46 TRP HE3 1 53 CYS HB3 . . 4.670 4.301 3.622 4.672 0.002 10 0 "[ . 1 . 2]" 1 1014 1 46 TRP HH2 1 48 PRO HA . . 4.950 4.673 4.003 4.948 . 0 0 "[ . 1 . 2]" 1 1015 1 46 TRP HH2 1 48 PRO HB3 . . 4.240 3.650 3.086 3.893 . 0 0 "[ . 1 . 2]" 1 1016 1 46 TRP HH2 1 48 PRO HG3 . . 4.870 4.681 4.432 4.871 0.001 19 0 "[ . 1 . 2]" 1 1017 1 46 TRP HZ2 1 74 LYS QE . . 4.710 4.506 3.992 4.710 0.000 11 0 "[ . 1 . 2]" 1 1018 1 46 TRP HZ2 1 76 GLU HB2 . . 4.240 2.673 2.059 4.269 0.029 1 0 "[ . 1 . 2]" 1 1019 1 46 TRP HZ2 1 76 GLU HB3 . . 5.000 4.100 3.457 4.863 . 0 0 "[ . 1 . 2]" 1 1020 1 46 TRP HZ2 1 76 GLU QG . . 4.730 3.152 2.108 3.877 . 0 0 "[ . 1 . 2]" 1 1021 1 46 TRP HZ3 1 48 PRO HA . . 3.440 2.536 2.000 2.880 . 0 0 "[ . 1 . 2]" 1 1022 1 46 TRP HZ3 1 48 PRO HB2 . . 4.830 4.285 4.052 4.555 . 0 0 "[ . 1 . 2]" 1 1023 1 46 TRP HZ3 1 48 PRO HB3 . . 3.870 2.760 2.585 2.963 . 0 0 "[ . 1 . 2]" 1 1024 1 46 TRP HZ3 1 48 PRO HD2 . . 5.260 4.767 4.383 5.046 . 0 0 "[ . 1 . 2]" 1 1025 1 46 TRP HZ3 1 48 PRO QD . . 4.620 3.301 2.878 3.585 . 0 0 "[ . 1 . 2]" 1 1026 1 46 TRP HZ3 1 48 PRO HD3 . . 5.260 3.367 2.918 3.670 . 0 0 "[ . 1 . 2]" 1 1027 1 46 TRP HZ3 1 48 PRO HG2 . . 5.390 5.119 4.916 5.366 . 0 0 "[ . 1 . 2]" 1 1028 1 46 TRP HZ3 1 48 PRO HG3 . . 4.710 4.379 4.131 4.641 . 0 0 "[ . 1 . 2]" 1 1029 1 47 ALA H 1 53 CYS HB2 . . 4.960 3.236 2.602 4.427 . 0 0 "[ . 1 . 2]" 1 1030 1 47 ALA H 1 53 CYS QB . . 4.350 2.576 1.953 3.880 . 0 0 "[ . 1 . 2]" 1 1031 1 47 ALA H 1 53 CYS HB3 . . 4.960 2.832 1.975 4.290 . 0 0 "[ . 1 . 2]" 1 1032 1 47 ALA H 1 92 VAL HB . . 4.790 3.973 3.475 4.397 . 0 0 "[ . 1 . 2]" 1 1033 1 47 ALA H 1 92 VAL MG1 . . 4.280 4.105 3.745 4.293 0.013 16 0 "[ . 1 . 2]" 1 1034 1 47 ALA H 1 92 VAL MG2 . . 5.370 3.628 3.170 4.060 . 0 0 "[ . 1 . 2]" 1 1035 1 47 ALA HA 1 48 PRO HD2 . . 3.070 2.242 2.180 2.309 . 0 0 "[ . 1 . 2]" 1 1036 1 47 ALA HA 1 48 PRO HD3 . . 3.070 2.259 2.252 2.271 . 0 0 "[ . 1 . 2]" 1 1037 1 47 ALA HA 1 48 PRO HG3 . . 4.710 4.388 4.359 4.420 . 0 0 "[ . 1 . 2]" 1 1038 1 47 ALA HA 1 49 TRP H . . 4.990 3.817 3.696 4.208 . 0 0 "[ . 1 . 2]" 1 1039 1 47 ALA HA 1 50 ALA MB . . 5.300 4.594 4.315 4.737 . 0 0 "[ . 1 . 2]" 1 1040 1 47 ALA HA 1 76 GLU QG . . 3.860 3.043 2.421 3.865 0.005 1 0 "[ . 1 . 2]" 1 1041 1 47 ALA HA 1 78 GLU H . . 5.120 4.194 3.635 4.799 . 0 0 "[ . 1 . 2]" 1 1042 1 47 ALA HA 1 92 VAL MG1 . . 5.260 4.549 4.203 4.930 . 0 0 "[ . 1 . 2]" 1 1043 1 47 ALA HA 1 92 VAL MG2 . . 4.900 4.372 3.942 4.738 . 0 0 "[ . 1 . 2]" 1 1044 1 47 ALA MB 1 48 PRO HA . . 5.060 4.472 4.432 4.496 . 0 0 "[ . 1 . 2]" 1 1045 1 47 ALA MB 1 48 PRO HD2 . . 3.970 2.354 2.114 2.594 . 0 0 "[ . 1 . 2]" 1 1046 1 47 ALA MB 1 48 PRO QD . . 3.260 2.318 2.092 2.537 . 0 0 "[ . 1 . 2]" 1 1047 1 47 ALA MB 1 48 PRO HD3 . . 3.970 3.473 3.343 3.592 . 0 0 "[ . 1 . 2]" 1 1048 1 47 ALA MB 1 48 PRO HG2 . . 5.000 3.966 3.834 4.099 . 0 0 "[ . 1 . 2]" 1 1049 1 47 ALA MB 1 48 PRO HG3 . . 5.220 4.686 4.537 4.822 . 0 0 "[ . 1 . 2]" 1 1050 1 47 ALA MB 1 49 TRP H . . 3.760 2.424 2.138 2.918 . 0 0 "[ . 1 . 2]" 1 1051 1 47 ALA MB 1 49 TRP HD1 . . 4.060 3.138 2.565 3.684 . 0 0 "[ . 1 . 2]" 1 1052 1 47 ALA MB 1 49 TRP HE1 . . 3.590 2.413 2.056 3.023 . 0 0 "[ . 1 . 2]" 1 1053 1 47 ALA MB 1 49 TRP HE3 . . 5.010 4.175 3.903 4.518 . 0 0 "[ . 1 . 2]" 1 1054 1 47 ALA MB 1 49 TRP HH2 . . 4.770 4.136 3.838 4.659 . 0 0 "[ . 1 . 2]" 1 1055 1 47 ALA MB 1 49 TRP HZ2 . . 3.880 3.089 2.859 3.477 . 0 0 "[ . 1 . 2]" 1 1056 1 47 ALA MB 1 50 ALA H . . 4.130 2.343 1.944 3.251 . 0 0 "[ . 1 . 2]" 1 1057 1 47 ALA MB 1 50 ALA HA . . 5.500 4.255 4.039 4.519 . 0 0 "[ . 1 . 2]" 1 1058 1 47 ALA MB 1 50 ALA MB . . 3.500 2.115 1.851 2.332 . 0 0 "[ . 1 . 2]" 1 1059 1 47 ALA MB 1 77 ALA MB . . 4.490 3.310 2.862 3.824 . 0 0 "[ . 1 . 2]" 1 1060 1 47 ALA MB 1 92 VAL HB . . 4.520 3.417 3.003 3.672 . 0 0 "[ . 1 . 2]" 1 1061 1 47 ALA MB 1 92 VAL MG1 . . 3.670 2.894 2.509 3.343 . 0 0 "[ . 1 . 2]" 1 1062 1 47 ALA MB 1 92 VAL MG2 . . 3.000 2.020 1.782 2.289 . 0 0 "[ . 1 . 2]" 1 1063 1 48 PRO QD 1 49 TRP H . . 3.960 2.808 2.602 2.962 . 0 0 "[ . 1 . 2]" 1 1064 1 48 PRO QD 1 49 TRP HD1 . . 4.330 2.714 2.456 3.119 . 0 0 "[ . 1 . 2]" 1 1065 1 48 PRO QD 1 76 GLU QG . . 4.220 2.478 2.141 3.070 . 0 0 "[ . 1 . 2]" 1 1066 1 48 PRO QD 1 92 VAL MG2 . . 5.350 4.940 4.359 5.336 . 0 0 "[ . 1 . 2]" 1 1067 1 48 PRO HG2 1 49 TRP H . . 4.090 3.023 2.147 3.371 . 0 0 "[ . 1 . 2]" 1 1068 1 48 PRO HG2 1 49 TRP HD1 . . 4.090 2.368 2.061 2.960 . 0 0 "[ . 1 . 2]" 1 1069 1 48 PRO HG3 1 49 TRP H . . 4.850 4.373 3.716 4.636 . 0 0 "[ . 1 . 2]" 1 1070 1 48 PRO HG3 1 49 TRP HD1 . . 4.710 3.935 3.623 4.435 . 0 0 "[ . 1 . 2]" 1 1071 1 49 TRP H 1 49 TRP HB3 . . 3.960 3.122 2.852 3.307 . 0 0 "[ . 1 . 2]" 1 1072 1 49 TRP H 1 49 TRP HD1 . . 3.700 2.677 2.249 3.072 . 0 0 "[ . 1 . 2]" 1 1073 1 49 TRP H 1 49 TRP HE1 . . 4.900 4.088 3.879 4.287 . 0 0 "[ . 1 . 2]" 1 1074 1 49 TRP H 1 49 TRP HE3 . . 4.800 4.572 4.346 4.797 . 0 0 "[ . 1 . 2]" 1 1075 1 49 TRP H 1 50 ALA H . . 3.620 2.261 2.005 2.652 . 0 0 "[ . 1 . 2]" 1 1076 1 49 TRP H 1 50 ALA MB . . 4.950 3.808 3.525 4.256 . 0 0 "[ . 1 . 2]" 1 1077 1 49 TRP HA 1 49 TRP HD1 . . 4.690 4.258 4.115 4.430 . 0 0 "[ . 1 . 2]" 1 1078 1 49 TRP HA 1 49 TRP HE3 . . 4.960 4.460 4.259 4.625 . 0 0 "[ . 1 . 2]" 1 1079 1 49 TRP HB2 1 49 TRP HE3 . . 3.790 2.565 2.475 2.669 . 0 0 "[ . 1 . 2]" 1 1080 1 49 TRP HB3 1 49 TRP HD1 . . 3.460 2.675 2.612 2.755 . 0 0 "[ . 1 . 2]" 1 1081 1 49 TRP HE1 1 92 VAL MG2 . . 5.120 4.169 3.087 5.016 . 0 0 "[ . 1 . 2]" 1 1082 1 49 TRP HE3 1 50 ALA H . . 4.940 3.267 2.613 4.386 . 0 0 "[ . 1 . 2]" 1 1083 1 49 TRP HE3 1 50 ALA HA . . 3.830 2.839 2.409 3.567 . 0 0 "[ . 1 . 2]" 1 1084 1 49 TRP HE3 1 50 ALA MB . . 3.990 3.108 2.708 3.423 . 0 0 "[ . 1 . 2]" 1 1085 1 49 TRP HE3 1 51 PRO QD . . 4.930 3.816 3.183 4.549 . 0 0 "[ . 1 . 2]" 1 1086 1 49 TRP HH2 1 50 ALA MB . . 5.100 3.666 3.265 4.523 . 0 0 "[ . 1 . 2]" 1 1087 1 49 TRP HH2 1 92 VAL MG2 . . 3.620 2.394 1.941 2.961 . 0 0 "[ . 1 . 2]" 1 1088 1 49 TRP HZ2 1 92 VAL MG2 . . 4.240 2.607 1.932 3.372 . 0 0 "[ . 1 . 2]" 1 1089 1 49 TRP HZ3 1 50 ALA HA . . 4.960 3.802 3.122 4.794 . 0 0 "[ . 1 . 2]" 1 1090 1 49 TRP HZ3 1 50 ALA MB . . 4.130 2.972 2.414 3.529 . 0 0 "[ . 1 . 2]" 1 1091 1 49 TRP HZ3 1 92 VAL MG2 . . 4.430 3.483 2.641 4.274 . 0 0 "[ . 1 . 2]" 1 1092 1 50 ALA H 1 50 ALA MB . . 3.200 2.186 2.033 2.563 . 0 0 "[ . 1 . 2]" 1 1093 1 50 ALA HA 1 51 PRO HD2 . . 3.270 1.950 1.915 2.016 . 0 0 "[ . 1 . 2]" 1 1094 1 50 ALA HA 1 51 PRO HD3 . . 3.270 2.376 2.295 2.464 . 0 0 "[ . 1 . 2]" 1 1095 1 50 ALA HA 1 51 PRO HG2 . . 5.500 4.152 4.121 4.207 . 0 0 "[ . 1 . 2]" 1 1096 1 50 ALA HA 1 51 PRO QG . . 4.690 3.774 3.767 3.795 . 0 0 "[ . 1 . 2]" 1 1097 1 50 ALA HA 1 51 PRO HG3 . . 5.500 4.333 4.317 4.365 . 0 0 "[ . 1 . 2]" 1 1098 1 50 ALA MB 1 51 PRO HD2 . . 4.340 3.079 2.808 3.270 . 0 0 "[ . 1 . 2]" 1 1099 1 50 ALA MB 1 51 PRO QD . . 3.780 2.975 2.739 3.137 . 0 0 "[ . 1 . 2]" 1 1100 1 50 ALA MB 1 51 PRO HD3 . . 4.340 3.941 3.806 4.038 . 0 0 "[ . 1 . 2]" 1 1101 1 50 ALA MB 1 52 GLN H . . 4.990 3.055 2.660 3.799 . 0 0 "[ . 1 . 2]" 1 1102 1 50 ALA MB 1 52 GLN QB . . 4.730 3.081 2.777 3.686 . 0 0 "[ . 1 . 2]" 1 1103 1 50 ALA MB 1 52 GLN QG . . 5.300 4.381 3.558 5.285 . 0 0 "[ . 1 . 2]" 1 1104 1 50 ALA MB 1 53 CYS H . . 3.910 2.845 2.415 3.170 . 0 0 "[ . 1 . 2]" 1 1105 1 50 ALA MB 1 53 CYS HA . . 5.060 4.762 4.379 5.054 . 0 0 "[ . 1 . 2]" 1 1106 1 50 ALA MB 1 53 CYS QB . . 4.030 3.257 2.485 3.773 . 0 0 "[ . 1 . 2]" 1 1107 1 50 ALA MB 1 92 VAL HB . . 4.560 3.605 3.203 4.001 . 0 0 "[ . 1 . 2]" 1 1108 1 50 ALA MB 1 92 VAL MG1 . . 4.540 4.162 3.802 4.428 . 0 0 "[ . 1 . 2]" 1 1109 1 50 ALA MB 1 92 VAL MG2 . . 3.050 2.150 1.768 2.551 . 0 0 "[ . 1 . 2]" 1 1110 1 50 ALA MB 1 93 PRO HB3 . . 5.500 4.795 4.167 5.265 . 0 0 "[ . 1 . 2]" 1 1111 1 50 ALA MB 1 93 PRO QD . . 4.250 3.452 2.984 3.786 . 0 0 "[ . 1 . 2]" 1 1112 1 51 PRO HA 1 54 ALA H . . 4.840 3.733 3.365 3.956 . 0 0 "[ . 1 . 2]" 1 1113 1 51 PRO HA 1 54 ALA MB . . 3.860 3.298 2.841 3.863 0.003 18 0 "[ . 1 . 2]" 1 1114 1 51 PRO QB 1 52 GLN H . . 4.080 3.391 2.888 3.729 . 0 0 "[ . 1 . 2]" 1 1115 1 51 PRO QB 1 54 ALA MB . . 4.490 3.883 3.613 4.174 . 0 0 "[ . 1 . 2]" 1 1116 1 51 PRO QD 1 52 GLN H . . 4.410 2.740 2.603 2.962 . 0 0 "[ . 1 . 2]" 1 1117 1 51 PRO QG 1 52 GLN H . . 3.930 2.696 1.972 3.294 . 0 0 "[ . 1 . 2]" 1 1118 1 52 GLN H 1 52 GLN QB . . 3.530 2.279 2.124 2.588 . 0 0 "[ . 1 . 2]" 1 1119 1 52 GLN H 1 52 GLN HG2 . . 4.650 3.828 1.990 4.646 . 0 0 "[ . 1 . 2]" 1 1120 1 52 GLN H 1 52 GLN QG . . 3.990 3.053 1.980 4.023 0.033 18 0 "[ . 1 . 2]" 1 1121 1 52 GLN H 1 52 GLN HG3 . . 4.650 3.410 2.235 4.444 . 0 0 "[ . 1 . 2]" 1 1122 1 52 GLN H 1 53 CYS H . . 3.840 2.750 2.464 3.030 . 0 0 "[ . 1 . 2]" 1 1123 1 52 GLN HA 1 52 GLN HG2 . . 3.780 3.185 2.492 3.661 . 0 0 "[ . 1 . 2]" 1 1124 1 52 GLN HA 1 52 GLN HG3 . . 3.780 2.631 2.187 3.756 . 0 0 "[ . 1 . 2]" 1 1125 1 52 GLN HA 1 55 GLN H . . 4.360 3.837 3.421 4.198 . 0 0 "[ . 1 . 2]" 1 1126 1 52 GLN HA 1 55 GLN HG2 . . 4.760 3.498 3.100 4.569 . 0 0 "[ . 1 . 2]" 1 1127 1 52 GLN HA 1 55 GLN HG3 . . 4.760 4.465 3.242 4.767 0.007 2 0 "[ . 1 . 2]" 1 1128 1 52 GLN HA 1 56 MET HG2 . . 4.960 4.477 3.824 4.941 . 0 0 "[ . 1 . 2]" 1 1129 1 52 GLN HA 1 93 PRO QD . . 5.350 4.574 4.361 4.962 . 0 0 "[ . 1 . 2]" 1 1130 1 52 GLN HA 1 110 ALA MB . . 4.760 3.801 3.251 4.423 . 0 0 "[ . 1 . 2]" 1 1131 1 52 GLN QB 1 53 CYS H . . 4.190 2.509 2.183 2.908 . 0 0 "[ . 1 . 2]" 1 1132 1 52 GLN QB 1 53 CYS HA . . 4.740 3.796 3.697 3.908 . 0 0 "[ . 1 . 2]" 1 1133 1 52 GLN QB 1 56 MET HG2 . . 4.800 3.632 2.822 4.259 . 0 0 "[ . 1 . 2]" 1 1134 1 52 GLN QB 1 92 VAL MG2 . . 5.280 4.565 4.005 5.096 . 0 0 "[ . 1 . 2]" 1 1135 1 52 GLN QB 1 93 PRO QD . . 3.940 1.966 1.806 2.203 . 0 0 "[ . 1 . 2]" 1 1136 1 52 GLN QB 1 110 ALA MB . . 3.020 2.212 1.892 2.989 . 0 0 "[ . 1 . 2]" 1 1137 1 52 GLN HB2 1 53 CYS HA . . 5.500 4.567 4.120 5.488 . 0 0 "[ . 1 . 2]" 1 1138 1 52 GLN HB2 1 110 ALA MB . . 3.850 3.443 2.902 3.871 0.021 15 0 "[ . 1 . 2]" 1 1139 1 52 GLN HB3 1 53 CYS HA . . 5.500 4.105 3.813 4.412 . 0 0 "[ . 1 . 2]" 1 1140 1 52 GLN HB3 1 110 ALA MB . . 3.850 2.243 1.917 3.114 . 0 0 "[ . 1 . 2]" 1 1141 1 52 GLN QE 1 110 ALA MB . . 4.130 3.207 1.816 4.129 . 0 0 "[ . 1 . 2]" 1 1142 1 52 GLN QG 1 53 CYS H . . 4.770 4.285 3.871 4.668 . 0 0 "[ . 1 . 2]" 1 1143 1 52 GLN QG 1 93 PRO QD . . 3.860 3.074 2.443 3.651 . 0 0 "[ . 1 . 2]" 1 1144 1 52 GLN QG 1 110 ALA MB . . 3.560 2.369 1.792 2.873 . 0 0 "[ . 1 . 2]" 1 1145 1 52 GLN HG2 1 93 PRO HD2 . . 5.010 3.903 2.960 4.982 . 0 0 "[ . 1 . 2]" 1 1146 1 52 GLN HG2 1 93 PRO HD3 . . 5.010 3.648 2.678 4.547 . 0 0 "[ . 1 . 2]" 1 1147 1 52 GLN HG2 1 110 ALA MB . . 4.050 2.604 1.852 4.050 . 0 0 "[ . 1 . 2]" 1 1148 1 52 GLN HG3 1 93 PRO HD2 . . 5.010 4.659 3.382 5.017 0.007 15 0 "[ . 1 . 2]" 1 1149 1 52 GLN HG3 1 93 PRO HD3 . . 5.010 4.154 2.988 4.794 . 0 0 "[ . 1 . 2]" 1 1150 1 52 GLN HG3 1 110 ALA MB . . 4.050 3.113 2.362 4.021 . 0 0 "[ . 1 . 2]" 1 1151 1 53 CYS H 1 53 CYS HB2 . . 4.200 3.144 2.318 3.617 . 0 0 "[ . 1 . 2]" 1 1152 1 53 CYS H 1 53 CYS QB . . 3.330 2.413 2.208 2.600 . 0 0 "[ . 1 . 2]" 1 1153 1 53 CYS H 1 53 CYS HB3 . . 4.200 2.785 2.231 3.601 . 0 0 "[ . 1 . 2]" 1 1154 1 53 CYS H 1 54 ALA H . . 3.590 2.852 2.667 3.049 . 0 0 "[ . 1 . 2]" 1 1155 1 53 CYS H 1 54 ALA MB . . 4.780 4.450 4.151 4.654 . 0 0 "[ . 1 . 2]" 1 1156 1 53 CYS H 1 93 PRO HB3 . . 4.640 4.123 3.464 4.574 . 0 0 "[ . 1 . 2]" 1 1157 1 53 CYS H 1 93 PRO QD . . 5.020 3.563 3.165 4.191 . 0 0 "[ . 1 . 2]" 1 1158 1 53 CYS HA 1 56 MET H . . 4.020 3.625 3.255 3.954 . 0 0 "[ . 1 . 2]" 1 1159 1 53 CYS HA 1 56 MET QB . . 4.490 2.373 1.990 3.378 . 0 0 "[ . 1 . 2]" 1 1160 1 53 CYS HA 1 56 MET HG2 . . 4.400 3.479 2.172 4.107 . 0 0 "[ . 1 . 2]" 1 1161 1 53 CYS HA 1 56 MET HG3 . . 4.480 3.191 2.566 3.871 . 0 0 "[ . 1 . 2]" 1 1162 1 53 CYS HA 1 57 ASN H . . 4.810 3.906 3.144 4.373 . 0 0 "[ . 1 . 2]" 1 1163 1 53 CYS HA 1 93 PRO HG3 . . 4.120 3.893 3.189 4.123 0.003 3 0 "[ . 1 . 2]" 1 1164 1 54 ALA H 1 54 ALA MB . . 3.200 2.151 2.043 2.236 . 0 0 "[ . 1 . 2]" 1 1165 1 54 ALA HA 1 57 ASN H . . 4.790 3.805 3.142 4.437 . 0 0 "[ . 1 . 2]" 1 1166 1 54 ALA HA 1 57 ASN HB2 . . 4.370 3.661 2.735 4.366 . 0 0 "[ . 1 . 2]" 1 1167 1 54 ALA HA 1 57 ASN QB . . 3.530 3.044 2.187 3.482 . 0 0 "[ . 1 . 2]" 1 1168 1 54 ALA HA 1 57 ASN HB3 . . 4.370 3.569 2.235 4.385 0.015 16 0 "[ . 1 . 2]" 1 1169 1 54 ALA HA 1 57 ASN QD . . 4.180 3.756 2.092 4.290 0.110 20 0 "[ . 1 . 2]" 1 1170 1 54 ALA MB 1 55 GLN H . . 3.400 2.014 1.909 2.329 . 0 0 "[ . 1 . 2]" 1 1171 1 54 ALA MB 1 55 GLN HA . . 4.440 3.684 3.584 3.791 . 0 0 "[ . 1 . 2]" 1 1172 1 54 ALA MB 1 55 GLN HB2 . . 5.080 4.744 4.063 5.004 . 0 0 "[ . 1 . 2]" 1 1173 1 54 ALA MB 1 55 GLN QB . . 4.420 3.719 3.423 4.244 . 0 0 "[ . 1 . 2]" 1 1174 1 54 ALA MB 1 55 GLN HB3 . . 5.080 4.043 3.522 5.113 0.033 2 0 "[ . 1 . 2]" 1 1175 1 54 ALA MB 1 55 GLN HE21 . . 5.500 4.528 3.199 5.585 0.085 11 0 "[ . 1 . 2]" 1 1176 1 54 ALA MB 1 55 GLN HG2 . . 5.500 3.743 2.975 5.144 . 0 0 "[ . 1 . 2]" 1 1177 1 54 ALA MB 1 55 GLN QG . . 4.760 3.593 2.927 4.350 . 0 0 "[ . 1 . 2]" 1 1178 1 54 ALA MB 1 55 GLN HG3 . . 5.500 4.886 4.353 5.428 . 0 0 "[ . 1 . 2]" 1 1179 1 54 ALA MB 1 57 ASN H . . 5.100 4.629 4.371 5.101 0.001 5 0 "[ . 1 . 2]" 1 1180 1 54 ALA MB 1 57 ASN QB . . 4.680 4.242 3.502 4.595 . 0 0 "[ . 1 . 2]" 1 1181 1 54 ALA MB 1 58 GLU H . . 5.500 5.055 4.432 5.389 . 0 0 "[ . 1 . 2]" 1 1182 1 55 GLN H 1 55 GLN HB2 . . 3.640 3.314 2.299 3.594 . 0 0 "[ . 1 . 2]" 1 1183 1 55 GLN H 1 55 GLN HB3 . . 3.640 2.810 2.160 3.618 . 0 0 "[ . 1 . 2]" 1 1184 1 55 GLN H 1 55 GLN HG2 . . 4.320 2.298 1.888 3.701 . 0 0 "[ . 1 . 2]" 1 1185 1 55 GLN H 1 55 GLN QG . . 3.780 2.221 1.875 3.211 . 0 0 "[ . 1 . 2]" 1 1186 1 55 GLN H 1 55 GLN HG3 . . 4.320 3.455 2.767 3.905 . 0 0 "[ . 1 . 2]" 1 1187 1 55 GLN H 1 56 MET H . . 3.570 2.786 2.584 3.068 . 0 0 "[ . 1 . 2]" 1 1188 1 55 GLN HA 1 55 GLN HE21 . . 4.180 3.683 1.874 4.190 0.010 6 0 "[ . 1 . 2]" 1 1189 1 55 GLN HA 1 55 GLN QG . . 3.630 3.182 2.473 3.427 . 0 0 "[ . 1 . 2]" 1 1190 1 55 GLN HA 1 57 ASN H . . 5.500 4.241 3.608 5.030 . 0 0 "[ . 1 . 2]" 1 1191 1 55 GLN HA 1 59 VAL MG2 . . 5.500 3.956 3.580 4.430 . 0 0 "[ . 1 . 2]" 1 1192 1 55 GLN QB 1 56 MET H . . 3.960 3.104 2.173 3.448 . 0 0 "[ . 1 . 2]" 1 1193 1 55 GLN HE21 1 56 MET ME . . 5.250 5.164 4.450 5.288 0.038 7 0 "[ . 1 . 2]" 1 1194 1 55 GLN QG 1 56 MET ME . . 4.370 3.113 2.034 4.287 . 0 0 "[ . 1 . 2]" 1 1195 1 55 GLN QG 1 56 MET HG2 . . 5.030 3.099 2.197 5.032 0.002 3 0 "[ . 1 . 2]" 1 1196 1 55 GLN QG 1 59 VAL MG2 . . 5.130 4.034 3.227 5.136 0.006 16 0 "[ . 1 . 2]" 1 1197 1 55 GLN HG2 1 56 MET ME . . 4.960 4.192 3.071 5.077 0.117 15 0 "[ . 1 . 2]" 1 1198 1 55 GLN HG3 1 56 MET ME . . 4.960 3.263 2.050 4.776 . 0 0 "[ . 1 . 2]" 1 1199 1 56 MET H 1 56 MET QB . . 3.180 2.511 2.351 2.665 . 0 0 "[ . 1 . 2]" 1 1200 1 56 MET H 1 56 MET ME . . 4.550 3.197 2.410 4.107 . 0 0 "[ . 1 . 2]" 1 1201 1 56 MET H 1 56 MET HG2 . . 3.430 2.161 1.891 2.446 . 0 0 "[ . 1 . 2]" 1 1202 1 56 MET H 1 56 MET HG3 . . 4.030 3.472 3.238 3.801 . 0 0 "[ . 1 . 2]" 1 1203 1 56 MET H 1 57 ASN H . . 3.530 2.752 2.498 3.139 . 0 0 "[ . 1 . 2]" 1 1204 1 56 MET HA 1 56 MET ME . . 3.670 2.003 1.879 2.321 . 0 0 "[ . 1 . 2]" 1 1205 1 56 MET HA 1 59 VAL H . . 3.860 3.613 3.252 3.857 . 0 0 "[ . 1 . 2]" 1 1206 1 56 MET HA 1 59 VAL HB . . 3.410 2.756 2.406 3.099 . 0 0 "[ . 1 . 2]" 1 1207 1 56 MET HA 1 59 VAL MG1 . . 4.770 4.006 3.683 4.367 . 0 0 "[ . 1 . 2]" 1 1208 1 56 MET HA 1 59 VAL MG2 . . 3.520 2.727 2.369 3.081 . 0 0 "[ . 1 . 2]" 1 1209 1 56 MET HA 1 60 MET H . . 4.570 4.268 3.791 4.569 . 0 0 "[ . 1 . 2]" 1 1210 1 56 MET HA 1 95 PHE HZ . . 5.120 3.774 3.262 4.205 . 0 0 "[ . 1 . 2]" 1 1211 1 56 MET HA 1 112 ALA MB . . 5.390 4.868 4.391 5.189 . 0 0 "[ . 1 . 2]" 1 1212 1 56 MET HA 1 115 LEU MD2 . . 5.300 3.846 3.350 4.391 . 0 0 "[ . 1 . 2]" 1 1213 1 56 MET QB 1 56 MET ME . . 3.910 2.803 1.953 3.296 . 0 0 "[ . 1 . 2]" 1 1214 1 56 MET QB 1 57 ASN H . . 3.560 2.628 2.112 3.077 . 0 0 "[ . 1 . 2]" 1 1215 1 56 MET QB 1 58 GLU H . . 5.340 4.955 4.413 5.305 . 0 0 "[ . 1 . 2]" 1 1216 1 56 MET QB 1 59 VAL H . . 5.340 4.985 4.607 5.263 . 0 0 "[ . 1 . 2]" 1 1217 1 56 MET QB 1 95 PHE QE . . 4.830 3.288 3.015 3.565 . 0 0 "[ . 1 . 2]" 1 1218 1 56 MET QB 1 95 PHE HZ . . 3.380 2.105 1.982 2.341 . 0 0 "[ . 1 . 2]" 1 1219 1 56 MET HB2 1 57 ASN H . . 4.370 2.690 2.149 3.200 . 0 0 "[ . 1 . 2]" 1 1220 1 56 MET HB2 1 95 PHE HZ . . 4.080 3.734 3.466 3.969 . 0 0 "[ . 1 . 2]" 1 1221 1 56 MET HB3 1 57 ASN H . . 4.370 3.729 3.116 4.055 . 0 0 "[ . 1 . 2]" 1 1222 1 56 MET HB3 1 95 PHE HZ . . 4.080 2.117 1.992 2.357 . 0 0 "[ . 1 . 2]" 1 1223 1 56 MET ME 1 56 MET HG2 . . 3.850 2.473 2.068 3.373 . 0 0 "[ . 1 . 2]" 1 1224 1 56 MET ME 1 56 MET HG3 . . 3.740 3.141 2.536 3.359 . 0 0 "[ . 1 . 2]" 1 1225 1 56 MET ME 1 59 VAL H . . 5.500 4.543 4.032 4.867 . 0 0 "[ . 1 . 2]" 1 1226 1 56 MET ME 1 59 VAL HB . . 3.560 3.184 2.792 3.494 . 0 0 "[ . 1 . 2]" 1 1227 1 56 MET ME 1 59 VAL MG1 . . 3.630 3.251 2.821 3.611 . 0 0 "[ . 1 . 2]" 1 1228 1 56 MET ME 1 59 VAL MG2 . . 3.550 2.592 2.037 2.833 . 0 0 "[ . 1 . 2]" 1 1229 1 56 MET ME 1 95 PHE QE . . 4.160 3.734 2.829 4.194 0.034 16 0 "[ . 1 . 2]" 1 1230 1 56 MET ME 1 95 PHE HZ . . 3.730 3.147 1.972 3.713 . 0 0 "[ . 1 . 2]" 1 1231 1 56 MET ME 1 110 ALA MB . . 3.780 3.150 2.716 3.571 . 0 0 "[ . 1 . 2]" 1 1232 1 56 MET ME 1 111 HIS H . . 3.890 2.890 2.202 3.436 . 0 0 "[ . 1 . 2]" 1 1233 1 56 MET ME 1 111 HIS HA . . 4.830 3.563 2.984 3.996 . 0 0 "[ . 1 . 2]" 1 1234 1 56 MET ME 1 112 ALA H . . 4.570 3.110 2.710 3.634 . 0 0 "[ . 1 . 2]" 1 1235 1 56 MET ME 1 112 ALA HA . . 3.150 2.246 1.965 2.533 . 0 0 "[ . 1 . 2]" 1 1236 1 56 MET ME 1 112 ALA MB . . 3.510 2.987 2.641 3.330 . 0 0 "[ . 1 . 2]" 1 1237 1 56 MET ME 1 115 LEU H . . 4.880 4.690 4.300 4.882 0.002 20 0 "[ . 1 . 2]" 1 1238 1 56 MET ME 1 115 LEU HB2 . . 3.870 3.734 3.187 3.874 0.004 3 0 "[ . 1 . 2]" 1 1239 1 56 MET ME 1 115 LEU MD2 . . 3.090 2.868 2.604 3.026 . 0 0 "[ . 1 . 2]" 1 1240 1 56 MET HG2 1 93 PRO HG2 . . 5.270 4.698 4.071 5.006 . 0 0 "[ . 1 . 2]" 1 1241 1 56 MET HG2 1 93 PRO HG3 . . 4.730 3.291 2.781 3.629 . 0 0 "[ . 1 . 2]" 1 1242 1 56 MET HG2 1 95 PHE HZ . . 4.660 4.280 3.910 4.665 0.005 19 0 "[ . 1 . 2]" 1 1243 1 56 MET HG2 1 110 ALA HA . . 4.420 3.912 3.325 4.433 0.013 15 0 "[ . 1 . 2]" 1 1244 1 56 MET HG2 1 110 ALA MB . . 3.680 2.815 2.218 3.443 . 0 0 "[ . 1 . 2]" 1 1245 1 56 MET HG3 1 93 PRO HB3 . . 4.860 2.880 2.259 3.595 . 0 0 "[ . 1 . 2]" 1 1246 1 56 MET HG3 1 93 PRO HG2 . . 4.340 3.462 2.961 3.848 . 0 0 "[ . 1 . 2]" 1 1247 1 56 MET HG3 1 93 PRO HG3 . . 4.280 2.313 2.000 2.866 . 0 0 "[ . 1 . 2]" 1 1248 1 56 MET HG3 1 95 PHE QE . . 4.800 3.771 3.321 4.329 . 0 0 "[ . 1 . 2]" 1 1249 1 56 MET HG3 1 95 PHE HZ . . 3.860 3.327 2.796 3.779 . 0 0 "[ . 1 . 2]" 1 1250 1 56 MET HG3 1 110 ALA HA . . 3.960 3.177 2.665 3.827 . 0 0 "[ . 1 . 2]" 1 1251 1 56 MET HG3 1 110 ALA MB . . 4.110 2.810 1.977 3.863 . 0 0 "[ . 1 . 2]" 1 1252 1 56 MET HG3 1 111 HIS H . . 5.190 4.575 4.037 5.109 . 0 0 "[ . 1 . 2]" 1 1253 1 57 ASN H 1 57 ASN HB2 . . 3.650 2.607 2.201 3.478 . 0 0 "[ . 1 . 2]" 1 1254 1 57 ASN H 1 57 ASN QB . . 2.990 2.256 2.153 2.637 . 0 0 "[ . 1 . 2]" 1 1255 1 57 ASN H 1 57 ASN HB3 . . 3.650 2.714 2.174 3.601 . 0 0 "[ . 1 . 2]" 1 1256 1 57 ASN H 1 58 GLU H . . 3.320 2.818 2.516 3.132 . 0 0 "[ . 1 . 2]" 1 1257 1 57 ASN HA 1 60 MET H . . 4.100 3.660 3.443 3.855 . 0 0 "[ . 1 . 2]" 1 1258 1 57 ASN HA 1 60 MET HB2 . . 4.070 3.068 2.670 3.335 . 0 0 "[ . 1 . 2]" 1 1259 1 57 ASN HA 1 60 MET HB3 . . 4.960 4.645 4.133 4.968 0.008 16 0 "[ . 1 . 2]" 1 1260 1 57 ASN HA 1 60 MET ME . . 4.270 3.829 2.936 4.272 0.002 19 0 "[ . 1 . 2]" 1 1261 1 57 ASN HA 1 60 MET HG3 . . 4.650 3.758 3.016 4.321 . 0 0 "[ . 1 . 2]" 1 1262 1 57 ASN HA 1 61 ALA H . . 4.640 4.413 4.094 4.614 . 0 0 "[ . 1 . 2]" 1 1263 1 57 ASN QB 1 58 GLU H . . 3.630 2.418 2.052 3.375 . 0 0 "[ . 1 . 2]" 1 1264 1 57 ASN QB 1 58 GLU HA . . 5.230 4.105 3.736 4.606 . 0 0 "[ . 1 . 2]" 1 1265 1 57 ASN HB2 1 58 GLU H . . 4.320 3.493 2.323 4.035 . 0 0 "[ . 1 . 2]" 1 1266 1 57 ASN HB3 1 58 GLU H . . 4.320 2.626 2.064 3.620 . 0 0 "[ . 1 . 2]" 1 1267 1 58 GLU H 1 58 GLU HB2 . . 3.930 2.876 2.236 3.593 . 0 0 "[ . 1 . 2]" 1 1268 1 58 GLU H 1 58 GLU QB . . 3.420 2.357 2.212 2.578 . 0 0 "[ . 1 . 2]" 1 1269 1 58 GLU H 1 58 GLU HB3 . . 3.930 3.084 2.242 3.602 . 0 0 "[ . 1 . 2]" 1 1270 1 58 GLU H 1 58 GLU HG2 . . 3.770 3.120 1.912 3.696 . 0 0 "[ . 1 . 2]" 1 1271 1 58 GLU H 1 58 GLU QG . . 3.230 2.415 1.902 2.711 . 0 0 "[ . 1 . 2]" 1 1272 1 58 GLU H 1 58 GLU HG3 . . 3.770 2.791 2.080 3.744 . 0 0 "[ . 1 . 2]" 1 1273 1 58 GLU HA 1 58 GLU QG . . 3.650 2.798 2.202 3.446 . 0 0 "[ . 1 . 2]" 1 1274 1 58 GLU HA 1 59 VAL HA . . 4.920 4.836 4.777 4.884 . 0 0 "[ . 1 . 2]" 1 1275 1 58 GLU HA 1 60 MET H . . 5.020 4.377 4.210 4.664 . 0 0 "[ . 1 . 2]" 1 1276 1 58 GLU HA 1 61 ALA H . . 3.830 3.643 3.336 3.831 0.001 12 0 "[ . 1 . 2]" 1 1277 1 58 GLU HA 1 61 ALA MB . . 3.220 2.796 2.398 3.155 . 0 0 "[ . 1 . 2]" 1 1278 1 58 GLU QB 1 59 VAL H . . 3.660 2.828 2.203 3.547 . 0 0 "[ . 1 . 2]" 1 1279 1 58 GLU QB 1 59 VAL MG2 . . 4.580 3.591 2.969 4.316 . 0 0 "[ . 1 . 2]" 1 1280 1 58 GLU QB 1 61 ALA MB . . 5.120 4.126 3.748 4.490 . 0 0 "[ . 1 . 2]" 1 1281 1 58 GLU HB2 1 59 VAL H . . 4.230 3.064 2.236 4.118 . 0 0 "[ . 1 . 2]" 1 1282 1 58 GLU HB3 1 59 VAL H . . 4.230 3.554 2.982 3.999 . 0 0 "[ . 1 . 2]" 1 1283 1 59 VAL H 1 59 VAL HB . . 3.060 2.537 2.372 2.645 . 0 0 "[ . 1 . 2]" 1 1284 1 59 VAL H 1 59 VAL MG1 . . 4.110 3.760 3.726 3.772 . 0 0 "[ . 1 . 2]" 1 1285 1 59 VAL H 1 59 VAL MG2 . . 2.960 2.174 1.930 2.557 . 0 0 "[ . 1 . 2]" 1 1286 1 59 VAL H 1 60 MET H . . 3.410 2.784 2.598 2.964 . 0 0 "[ . 1 . 2]" 1 1287 1 59 VAL HA 1 59 VAL MG1 . . 3.150 2.390 2.302 2.496 . 0 0 "[ . 1 . 2]" 1 1288 1 59 VAL HA 1 59 VAL MG2 . . 3.200 2.327 2.169 2.440 . 0 0 "[ . 1 . 2]" 1 1289 1 59 VAL HA 1 61 ALA H . . 5.040 4.834 4.436 5.040 . 0 0 "[ . 1 . 2]" 1 1290 1 59 VAL HA 1 62 GLU H . . 4.350 3.908 3.668 4.081 . 0 0 "[ . 1 . 2]" 1 1291 1 59 VAL HA 1 62 GLU HB2 . . 3.770 3.294 2.825 3.717 . 0 0 "[ . 1 . 2]" 1 1292 1 59 VAL HA 1 62 GLU QG . . 4.370 3.864 3.529 4.337 . 0 0 "[ . 1 . 2]" 1 1293 1 59 VAL HA 1 63 LEU H . . 4.660 4.574 4.270 4.671 0.011 13 0 "[ . 1 . 2]" 1 1294 1 59 VAL HB 1 60 MET H . . 3.220 2.585 2.370 2.741 . 0 0 "[ . 1 . 2]" 1 1295 1 59 VAL HB 1 112 ALA MB . . 4.730 4.686 4.465 4.743 0.013 17 0 "[ . 1 . 2]" 1 1296 1 59 VAL HB 1 115 LEU MD2 . . 4.140 3.213 2.633 3.738 . 0 0 "[ . 1 . 2]" 1 1297 1 59 VAL MG1 1 60 MET H . . 4.070 3.379 3.101 3.567 . 0 0 "[ . 1 . 2]" 1 1298 1 59 VAL MG1 1 60 MET HA . . 4.300 3.442 3.122 3.640 . 0 0 "[ . 1 . 2]" 1 1299 1 59 VAL MG1 1 60 MET HG3 . . 5.070 4.020 3.428 4.322 . 0 0 "[ . 1 . 2]" 1 1300 1 59 VAL MG1 1 63 LEU H . . 4.710 4.145 3.837 4.629 . 0 0 "[ . 1 . 2]" 1 1301 1 59 VAL MG1 1 112 ALA HA . . 3.950 2.962 2.591 3.347 . 0 0 "[ . 1 . 2]" 1 1302 1 59 VAL MG1 1 112 ALA MB . . 3.580 3.313 3.046 3.576 . 0 0 "[ . 1 . 2]" 1 1303 1 59 VAL MG1 1 115 LEU HB3 . . 4.760 3.305 2.503 3.953 . 0 0 "[ . 1 . 2]" 1 1304 1 59 VAL MG1 1 115 LEU MD2 . . 3.220 2.289 1.887 2.707 . 0 0 "[ . 1 . 2]" 1 1305 1 59 VAL MG1 1 116 THR H . . 5.160 4.017 3.507 4.577 . 0 0 "[ . 1 . 2]" 1 1306 1 59 VAL MG2 1 60 MET H . . 4.240 3.858 3.779 3.990 . 0 0 "[ . 1 . 2]" 1 1307 1 59 VAL MG2 1 112 ALA HA . . 4.350 2.927 2.035 3.380 . 0 0 "[ . 1 . 2]" 1 1308 1 59 VAL MG2 1 112 ALA MB . . 3.290 2.531 2.298 2.773 . 0 0 "[ . 1 . 2]" 1 1309 1 59 VAL MG2 1 115 LEU MD2 . . 4.510 3.897 3.303 4.258 . 0 0 "[ . 1 . 2]" 1 1310 1 60 MET H 1 60 MET HB2 . . 3.380 2.357 2.214 2.514 . 0 0 "[ . 1 . 2]" 1 1311 1 60 MET H 1 60 MET HB3 . . 3.850 3.564 3.511 3.588 . 0 0 "[ . 1 . 2]" 1 1312 1 60 MET H 1 60 MET ME . . 4.920 4.539 3.986 4.904 . 0 0 "[ . 1 . 2]" 1 1313 1 60 MET H 1 60 MET HG2 . . 4.030 3.625 3.006 4.027 . 0 0 "[ . 1 . 2]" 1 1314 1 60 MET H 1 60 MET HG3 . . 3.550 2.544 2.126 2.822 . 0 0 "[ . 1 . 2]" 1 1315 1 60 MET H 1 61 ALA H . . 3.420 2.840 2.523 3.086 . 0 0 "[ . 1 . 2]" 1 1316 1 60 MET H 1 61 ALA MB . . 4.950 4.317 4.113 4.484 . 0 0 "[ . 1 . 2]" 1 1317 1 60 MET H 1 62 GLU H . . 4.870 4.426 4.088 4.629 . 0 0 "[ . 1 . 2]" 1 1318 1 60 MET H 1 63 LEU HB2 . . 5.500 5.048 4.787 5.286 . 0 0 "[ . 1 . 2]" 1 1319 1 60 MET H 1 115 LEU MD2 . . 4.800 3.996 3.300 4.572 . 0 0 "[ . 1 . 2]" 1 1320 1 60 MET HA 1 60 MET ME . . 4.460 4.111 3.877 4.281 . 0 0 "[ . 1 . 2]" 1 1321 1 60 MET HA 1 60 MET HG2 . . 3.710 2.521 2.227 2.709 . 0 0 "[ . 1 . 2]" 1 1322 1 60 MET HA 1 60 MET HG3 . . 4.190 2.906 2.559 3.403 . 0 0 "[ . 1 . 2]" 1 1323 1 60 MET HA 1 62 GLU H . . 5.010 4.515 4.135 4.808 . 0 0 "[ . 1 . 2]" 1 1324 1 60 MET HA 1 63 LEU H . . 3.990 3.380 3.136 3.631 . 0 0 "[ . 1 . 2]" 1 1325 1 60 MET HA 1 63 LEU HB2 . . 3.450 2.485 2.209 2.687 . 0 0 "[ . 1 . 2]" 1 1326 1 60 MET HA 1 63 LEU HB3 . . 4.290 4.081 3.790 4.290 0.000 12 0 "[ . 1 . 2]" 1 1327 1 60 MET HA 1 63 LEU MD1 . . 3.480 2.372 2.123 2.762 . 0 0 "[ . 1 . 2]" 1 1328 1 60 MET HA 1 63 LEU MD2 . . 4.950 4.710 4.500 4.930 . 0 0 "[ . 1 . 2]" 1 1329 1 60 MET HA 1 63 LEU HG . . 4.760 3.705 3.389 4.037 . 0 0 "[ . 1 . 2]" 1 1330 1 60 MET HA 1 64 ALA H . . 4.530 3.962 3.654 4.230 . 0 0 "[ . 1 . 2]" 1 1331 1 60 MET HA 1 72 PHE QD . . 5.000 3.951 3.433 4.280 . 0 0 "[ . 1 . 2]" 1 1332 1 60 MET HA 1 72 PHE QE . . 5.160 3.772 3.193 4.153 . 0 0 "[ . 1 . 2]" 1 1333 1 60 MET HA 1 115 LEU MD2 . . 4.620 3.480 3.166 3.765 . 0 0 "[ . 1 . 2]" 1 1334 1 60 MET HB2 1 61 ALA H . . 3.400 2.419 2.251 2.687 . 0 0 "[ . 1 . 2]" 1 1335 1 60 MET HB2 1 61 ALA MB . . 4.190 4.069 3.888 4.173 . 0 0 "[ . 1 . 2]" 1 1336 1 60 MET HB3 1 60 MET ME . . 3.140 2.166 1.963 2.431 . 0 0 "[ . 1 . 2]" 1 1337 1 60 MET HB3 1 61 ALA H . . 3.990 3.177 2.773 3.604 . 0 0 "[ . 1 . 2]" 1 1338 1 60 MET HB3 1 72 PHE HB2 . . 5.500 4.227 3.826 4.714 . 0 0 "[ . 1 . 2]" 1 1339 1 60 MET HB3 1 72 PHE HB3 . . 5.210 3.261 2.877 3.814 . 0 0 "[ . 1 . 2]" 1 1340 1 60 MET HB3 1 72 PHE QD . . 4.000 3.233 2.130 3.954 . 0 0 "[ . 1 . 2]" 1 1341 1 60 MET HB3 1 72 PHE QE . . 5.100 4.526 3.709 5.103 0.003 5 0 "[ . 1 . 2]" 1 1342 1 60 MET ME 1 60 MET HG3 . . 3.680 3.160 2.560 3.393 . 0 0 "[ . 1 . 2]" 1 1343 1 60 MET ME 1 61 ALA H . . 5.170 4.503 4.111 4.742 . 0 0 "[ . 1 . 2]" 1 1344 1 60 MET ME 1 64 ALA MB . . 4.880 4.749 4.450 4.881 0.001 10 0 "[ . 1 . 2]" 1 1345 1 60 MET ME 1 72 PHE H . . 5.500 5.389 5.014 5.520 0.020 16 0 "[ . 1 . 2]" 1 1346 1 60 MET ME 1 72 PHE HA . . 4.420 3.859 3.372 4.129 . 0 0 "[ . 1 . 2]" 1 1347 1 60 MET ME 1 72 PHE HB2 . . 4.190 3.683 3.440 3.825 . 0 0 "[ . 1 . 2]" 1 1348 1 60 MET ME 1 72 PHE HB3 . . 3.080 2.309 2.017 2.529 . 0 0 "[ . 1 . 2]" 1 1349 1 60 MET ME 1 72 PHE QD . . 3.170 2.772 2.158 3.173 0.003 9 0 "[ . 1 . 2]" 1 1350 1 60 MET ME 1 73 VAL H . . 4.010 3.651 3.332 4.012 0.002 18 0 "[ . 1 . 2]" 1 1351 1 60 MET ME 1 74 LYS H . . 4.940 3.877 3.593 4.163 . 0 0 "[ . 1 . 2]" 1 1352 1 60 MET ME 1 74 LYS HA . . 3.630 3.401 3.096 3.631 0.001 14 0 "[ . 1 . 2]" 1 1353 1 60 MET ME 1 74 LYS QB . . 3.780 2.363 1.993 2.593 . 0 0 "[ . 1 . 2]" 1 1354 1 60 MET ME 1 74 LYS HD2 . . 4.660 3.750 2.640 4.645 . 0 0 "[ . 1 . 2]" 1 1355 1 60 MET ME 1 74 LYS QD . . 3.970 3.386 2.613 3.869 . 0 0 "[ . 1 . 2]" 1 1356 1 60 MET ME 1 74 LYS HD3 . . 4.660 4.223 3.521 4.661 0.001 10 0 "[ . 1 . 2]" 1 1357 1 60 MET ME 1 74 LYS HG2 . . 5.130 4.213 3.983 4.883 . 0 0 "[ . 1 . 2]" 1 1358 1 60 MET ME 1 74 LYS QG . . 4.260 3.980 3.778 4.191 . 0 0 "[ . 1 . 2]" 1 1359 1 60 MET ME 1 74 LYS HG3 . . 5.130 4.939 4.564 5.125 . 0 0 "[ . 1 . 2]" 1 1360 1 60 MET ME 1 95 PHE QD . . 4.300 4.186 3.862 4.306 0.006 17 0 "[ . 1 . 2]" 1 1361 1 60 MET ME 1 95 PHE QE . . 4.430 3.695 3.207 3.951 . 0 0 "[ . 1 . 2]" 1 1362 1 60 MET ME 1 115 LEU MD2 . . 4.820 4.469 4.266 4.679 . 0 0 "[ . 1 . 2]" 1 1363 1 60 MET HG2 1 61 ALA H . . 5.140 4.849 4.748 4.997 . 0 0 "[ . 1 . 2]" 1 1364 1 60 MET HG2 1 63 LEU MD1 . . 4.160 3.506 2.912 3.883 . 0 0 "[ . 1 . 2]" 1 1365 1 60 MET HG2 1 72 PHE HB3 . . 4.910 4.254 3.606 4.913 0.003 9 0 "[ . 1 . 2]" 1 1366 1 60 MET HG2 1 72 PHE QD . . 4.290 2.904 2.284 3.597 . 0 0 "[ . 1 . 2]" 1 1367 1 60 MET HG2 1 72 PHE QE . . 4.760 3.633 3.269 4.034 . 0 0 "[ . 1 . 2]" 1 1368 1 60 MET HG2 1 95 PHE QD . . 4.790 4.543 4.095 4.789 . 0 0 "[ . 1 . 2]" 1 1369 1 60 MET HG2 1 115 LEU MD2 . . 4.020 2.881 2.062 3.488 . 0 0 "[ . 1 . 2]" 1 1370 1 60 MET HG3 1 61 ALA H . . 4.840 4.448 4.235 4.602 . 0 0 "[ . 1 . 2]" 1 1371 1 60 MET HG3 1 63 LEU MD1 . . 4.870 4.031 3.466 4.611 . 0 0 "[ . 1 . 2]" 1 1372 1 60 MET HG3 1 72 PHE QD . . 4.750 4.427 4.004 4.753 0.003 20 0 "[ . 1 . 2]" 1 1373 1 60 MET HG3 1 95 PHE QE . . 4.980 3.012 2.310 3.589 . 0 0 "[ . 1 . 2]" 1 1374 1 60 MET HG3 1 115 LEU MD2 . . 4.130 2.875 2.648 3.246 . 0 0 "[ . 1 . 2]" 1 1375 1 61 ALA H 1 61 ALA MB . . 2.820 2.135 2.040 2.260 . 0 0 "[ . 1 . 2]" 1 1376 1 61 ALA H 1 62 GLU H . . 3.300 3.053 2.918 3.207 . 0 0 "[ . 1 . 2]" 1 1377 1 61 ALA H 1 64 ALA MB . . 4.860 4.574 4.362 4.856 . 0 0 "[ . 1 . 2]" 1 1378 1 61 ALA HA 1 64 ALA H . . 4.200 3.627 3.285 4.125 . 0 0 "[ . 1 . 2]" 1 1379 1 61 ALA HA 1 64 ALA MB . . 3.250 2.718 2.371 3.145 . 0 0 "[ . 1 . 2]" 1 1380 1 61 ALA HA 1 65 LYS H . . 4.900 4.579 4.212 4.907 0.007 9 0 "[ . 1 . 2]" 1 1381 1 61 ALA MB 1 62 GLU H . . 3.320 2.403 2.198 2.654 . 0 0 "[ . 1 . 2]" 1 1382 1 61 ALA MB 1 62 GLU HB2 . . 4.480 4.372 4.144 4.493 0.013 13 0 "[ . 1 . 2]" 1 1383 1 61 ALA MB 1 62 GLU QG . . 3.900 3.382 3.069 3.857 . 0 0 "[ . 1 . 2]" 1 1384 1 61 ALA MB 1 64 ALA H . . 5.490 4.684 4.373 5.061 . 0 0 "[ . 1 . 2]" 1 1385 1 61 ALA MB 1 64 ALA MB . . 4.860 3.919 3.635 4.303 . 0 0 "[ . 1 . 2]" 1 1386 1 61 ALA MB 1 65 LYS QD . . 5.060 4.853 3.585 5.065 0.005 6 0 "[ . 1 . 2]" 1 1387 1 61 ALA MB 1 65 LYS QE . . 4.520 3.767 3.123 4.533 0.013 13 0 "[ . 1 . 2]" 1 1388 1 62 GLU H 1 62 GLU HB2 . . 3.070 2.385 2.208 2.583 . 0 0 "[ . 1 . 2]" 1 1389 1 62 GLU H 1 62 GLU HG2 . . 3.870 3.169 2.067 3.870 . 0 0 "[ . 1 . 2]" 1 1390 1 62 GLU H 1 62 GLU QG . . 3.320 2.540 2.054 3.101 . 0 0 "[ . 1 . 2]" 1 1391 1 62 GLU H 1 62 GLU HG3 . . 3.870 3.022 2.138 3.831 . 0 0 "[ . 1 . 2]" 1 1392 1 62 GLU H 1 63 LEU H . . 3.280 2.749 2.542 2.972 . 0 0 "[ . 1 . 2]" 1 1393 1 62 GLU H 1 63 LEU HG . . 5.210 4.871 4.482 5.156 . 0 0 "[ . 1 . 2]" 1 1394 1 62 GLU H 1 64 ALA H . . 4.750 4.280 4.114 4.579 . 0 0 "[ . 1 . 2]" 1 1395 1 62 GLU HA 1 62 GLU HG2 . . 3.780 2.708 2.199 3.613 . 0 0 "[ . 1 . 2]" 1 1396 1 62 GLU HA 1 62 GLU QG . . 3.300 2.445 2.155 2.984 . 0 0 "[ . 1 . 2]" 1 1397 1 62 GLU HA 1 62 GLU HG3 . . 3.780 3.196 2.328 3.752 . 0 0 "[ . 1 . 2]" 1 1398 1 62 GLU HA 1 65 LYS QD . . 4.200 3.141 2.338 4.095 . 0 0 "[ . 1 . 2]" 1 1399 1 62 GLU HA 1 65 LYS QE . . 3.850 2.459 1.966 3.819 . 0 0 "[ . 1 . 2]" 1 1400 1 62 GLU HA 1 65 LYS HG2 . . 4.290 3.125 2.342 4.290 0.000 9 0 "[ . 1 . 2]" 1 1401 1 62 GLU HA 1 65 LYS QG . . 3.770 2.630 2.301 3.074 . 0 0 "[ . 1 . 2]" 1 1402 1 62 GLU HA 1 65 LYS HG3 . . 4.290 3.432 2.462 4.189 . 0 0 "[ . 1 . 2]" 1 1403 1 62 GLU HB2 1 63 LEU H . . 3.390 2.648 2.223 2.880 . 0 0 "[ . 1 . 2]" 1 1404 1 62 GLU HB2 1 63 LEU HA . . 5.120 4.450 4.270 4.702 . 0 0 "[ . 1 . 2]" 1 1405 1 62 GLU QG 1 63 LEU H . . 4.470 4.211 4.064 4.419 . 0 0 "[ . 1 . 2]" 1 1406 1 62 GLU HG2 1 63 LEU H . . 5.100 4.793 4.298 5.089 . 0 0 "[ . 1 . 2]" 1 1407 1 62 GLU HG3 1 63 LEU H . . 5.100 4.731 4.353 5.100 . 0 0 "[ . 1 . 2]" 1 1408 1 63 LEU H 1 63 LEU HB2 . . 3.210 2.337 2.236 2.460 . 0 0 "[ . 1 . 2]" 1 1409 1 63 LEU H 1 63 LEU HB3 . . 3.690 3.563 3.524 3.598 . 0 0 "[ . 1 . 2]" 1 1410 1 63 LEU H 1 63 LEU MD1 . . 4.100 3.554 3.419 3.670 . 0 0 "[ . 1 . 2]" 1 1411 1 63 LEU H 1 63 LEU MD2 . . 3.930 3.741 3.490 3.906 . 0 0 "[ . 1 . 2]" 1 1412 1 63 LEU H 1 63 LEU HG . . 3.170 2.584 2.302 2.842 . 0 0 "[ . 1 . 2]" 1 1413 1 63 LEU H 1 64 ALA MB . . 4.540 4.259 4.081 4.537 . 0 0 "[ . 1 . 2]" 1 1414 1 63 LEU H 1 65 LYS H . . 4.870 4.493 4.242 4.729 . 0 0 "[ . 1 . 2]" 1 1415 1 63 LEU HA 1 63 LEU MD1 . . 4.600 3.863 3.837 3.896 . 0 0 "[ . 1 . 2]" 1 1416 1 63 LEU HA 1 63 LEU MD2 . . 2.870 2.077 1.975 2.302 . 0 0 "[ . 1 . 2]" 1 1417 1 63 LEU HA 1 63 LEU HG . . 3.650 2.849 2.649 3.038 . 0 0 "[ . 1 . 2]" 1 1418 1 63 LEU HA 1 65 LYS H . . 4.700 4.534 4.080 4.710 0.010 8 0 "[ . 1 . 2]" 1 1419 1 63 LEU HA 1 66 GLU H . . 3.880 3.390 3.230 3.562 . 0 0 "[ . 1 . 2]" 1 1420 1 63 LEU HA 1 66 GLU HB2 . . 3.740 3.342 2.886 3.744 0.004 9 0 "[ . 1 . 2]" 1 1421 1 63 LEU HA 1 66 GLU HB3 . . 3.430 2.296 1.997 2.573 . 0 0 "[ . 1 . 2]" 1 1422 1 63 LEU HA 1 66 GLU HG2 . . 4.600 4.075 3.572 4.417 . 0 0 "[ . 1 . 2]" 1 1423 1 63 LEU HA 1 66 GLU QG . . 3.980 3.775 3.408 3.995 0.015 16 0 "[ . 1 . 2]" 1 1424 1 63 LEU HA 1 66 GLU HG3 . . 4.600 4.493 4.211 4.604 0.004 19 0 "[ . 1 . 2]" 1 1425 1 63 LEU HA 1 67 LEU HG . . 5.090 3.983 3.492 4.434 . 0 0 "[ . 1 . 2]" 1 1426 1 63 LEU HA 1 72 PHE HZ . . 5.440 4.553 4.314 4.828 . 0 0 "[ . 1 . 2]" 1 1427 1 63 LEU HB2 1 63 LEU MD1 . . 3.420 2.227 2.078 2.325 . 0 0 "[ . 1 . 2]" 1 1428 1 63 LEU HB2 1 64 ALA H . . 3.900 2.592 2.313 2.797 . 0 0 "[ . 1 . 2]" 1 1429 1 63 LEU HB2 1 64 ALA HA . . 4.580 4.391 4.229 4.528 . 0 0 "[ . 1 . 2]" 1 1430 1 63 LEU HB2 1 64 ALA MB . . 5.370 4.185 4.000 4.335 . 0 0 "[ . 1 . 2]" 1 1431 1 63 LEU HB2 1 72 PHE QE . . 4.520 3.324 2.886 3.664 . 0 0 "[ . 1 . 2]" 1 1432 1 63 LEU HB2 1 72 PHE HZ . . 4.320 3.367 2.943 3.903 . 0 0 "[ . 1 . 2]" 1 1433 1 63 LEU HB3 1 63 LEU MD1 . . 3.170 2.458 2.369 2.568 . 0 0 "[ . 1 . 2]" 1 1434 1 63 LEU HB3 1 63 LEU MD2 . . 3.050 2.302 2.172 2.367 . 0 0 "[ . 1 . 2]" 1 1435 1 63 LEU HB3 1 64 ALA H . . 4.060 3.386 2.983 3.698 . 0 0 "[ . 1 . 2]" 1 1436 1 63 LEU HB3 1 67 LEU H . . 5.140 4.565 4.410 4.735 . 0 0 "[ . 1 . 2]" 1 1437 1 63 LEU HB3 1 67 LEU HB2 . . 4.810 4.294 3.816 4.535 . 0 0 "[ . 1 . 2]" 1 1438 1 63 LEU HB3 1 72 PHE QE . . 4.120 3.047 2.813 3.161 . 0 0 "[ . 1 . 2]" 1 1439 1 63 LEU HB3 1 72 PHE HZ . . 4.040 2.190 2.022 2.464 . 0 0 "[ . 1 . 2]" 1 1440 1 63 LEU MD1 1 64 ALA H . . 5.260 4.415 4.169 4.598 . 0 0 "[ . 1 . 2]" 1 1441 1 63 LEU MD1 1 72 PHE QD . . 4.920 4.120 3.755 4.445 . 0 0 "[ . 1 . 2]" 1 1442 1 63 LEU MD1 1 72 PHE QE . . 4.040 2.542 2.267 2.838 . 0 0 "[ . 1 . 2]" 1 1443 1 63 LEU MD1 1 72 PHE HZ . . 3.970 3.135 2.786 3.712 . 0 0 "[ . 1 . 2]" 1 1444 1 63 LEU MD1 1 115 LEU MD1 . . 4.200 3.864 3.524 4.083 . 0 0 "[ . 1 . 2]" 1 1445 1 63 LEU MD1 1 115 LEU MD2 . . 3.690 2.395 2.192 2.666 . 0 0 "[ . 1 . 2]" 1 1446 1 63 LEU MD1 1 115 LEU HG . . 3.520 2.857 2.470 3.128 . 0 0 "[ . 1 . 2]" 1 1447 1 63 LEU MD1 1 116 THR H . . 4.630 3.651 3.004 3.910 . 0 0 "[ . 1 . 2]" 1 1448 1 63 LEU MD1 1 116 THR HA . . 3.420 2.613 2.043 3.105 . 0 0 "[ . 1 . 2]" 1 1449 1 63 LEU MD1 1 116 THR HB . . 4.970 4.533 3.837 4.842 . 0 0 "[ . 1 . 2]" 1 1450 1 63 LEU MD1 1 119 VAL HB . . 3.920 3.334 2.830 3.798 . 0 0 "[ . 1 . 2]" 1 1451 1 63 LEU MD1 1 119 VAL MG1 . . 3.660 2.850 2.420 3.392 . 0 0 "[ . 1 . 2]" 1 1452 1 63 LEU MD1 1 119 VAL MG2 . . 3.300 2.364 1.880 2.810 . 0 0 "[ . 1 . 2]" 1 1453 1 63 LEU MD2 1 66 GLU H . . 5.050 4.893 4.715 5.023 . 0 0 "[ . 1 . 2]" 1 1454 1 63 LEU MD2 1 66 GLU HB3 . . 3.800 3.196 2.974 3.460 . 0 0 "[ . 1 . 2]" 1 1455 1 63 LEU MD2 1 72 PHE QE . . 4.850 4.063 3.701 4.312 . 0 0 "[ . 1 . 2]" 1 1456 1 63 LEU MD2 1 72 PHE HZ . . 4.380 3.486 3.072 3.848 . 0 0 "[ . 1 . 2]" 1 1457 1 63 LEU MD2 1 116 THR HA . . 3.600 2.731 2.203 3.109 . 0 0 "[ . 1 . 2]" 1 1458 1 63 LEU MD2 1 116 THR HB . . 4.770 4.185 3.536 4.524 . 0 0 "[ . 1 . 2]" 1 1459 1 63 LEU MD2 1 116 THR MG . . 3.250 2.152 1.753 2.536 . 0 0 "[ . 1 . 2]" 1 1460 1 63 LEU MD2 1 119 VAL HB . . 4.180 3.203 2.531 3.879 . 0 0 "[ . 1 . 2]" 1 1461 1 63 LEU MD2 1 120 GLN H . . 5.500 4.455 3.777 4.999 . 0 0 "[ . 1 . 2]" 1 1462 1 63 LEU MD2 1 120 GLN QE . . 5.340 3.649 2.247 4.681 . 0 0 "[ . 1 . 2]" 1 1463 1 63 LEU MD2 1 120 GLN HG3 . . 4.740 3.842 3.104 4.663 . 0 0 "[ . 1 . 2]" 1 1464 1 63 LEU HG 1 116 THR MG . . 4.840 4.295 3.732 4.833 . 0 0 "[ . 1 . 2]" 1 1465 1 64 ALA H 1 64 ALA MB . . 2.860 2.165 2.023 2.260 . 0 0 "[ . 1 . 2]" 1 1466 1 64 ALA H 1 65 LYS H . . 3.360 3.003 2.752 3.216 . 0 0 "[ . 1 . 2]" 1 1467 1 64 ALA H 1 66 GLU H . . 5.040 4.279 3.964 4.536 . 0 0 "[ . 1 . 2]" 1 1468 1 64 ALA H 1 72 PHE HB3 . . 5.500 5.454 5.126 5.510 0.010 17 0 "[ . 1 . 2]" 1 1469 1 64 ALA H 1 72 PHE QD . . 4.660 4.136 3.842 4.300 . 0 0 "[ . 1 . 2]" 1 1470 1 64 ALA H 1 72 PHE QE . . 4.840 3.918 3.461 4.209 . 0 0 "[ . 1 . 2]" 1 1471 1 64 ALA HA 1 67 LEU H . . 4.110 3.833 3.584 4.093 . 0 0 "[ . 1 . 2]" 1 1472 1 64 ALA HA 1 67 LEU HB2 . . 4.600 4.107 3.728 4.560 . 0 0 "[ . 1 . 2]" 1 1473 1 64 ALA HA 1 70 VAL H . . 5.500 5.396 4.851 5.515 0.015 5 0 "[ . 1 . 2]" 1 1474 1 64 ALA HA 1 70 VAL HB . . 4.930 4.079 3.533 4.389 . 0 0 "[ . 1 . 2]" 1 1475 1 64 ALA HA 1 72 PHE QD . . 3.440 2.408 2.052 3.006 . 0 0 "[ . 1 . 2]" 1 1476 1 64 ALA HA 1 72 PHE QE . . 3.200 2.303 2.020 2.746 . 0 0 "[ . 1 . 2]" 1 1477 1 64 ALA HA 1 72 PHE HZ . . 4.620 4.172 3.571 4.543 . 0 0 "[ . 1 . 2]" 1 1478 1 64 ALA MB 1 65 LYS H . . 3.380 2.379 2.092 2.750 . 0 0 "[ . 1 . 2]" 1 1479 1 64 ALA MB 1 65 LYS HA . . 4.440 3.751 3.660 3.799 . 0 0 "[ . 1 . 2]" 1 1480 1 64 ALA MB 1 65 LYS QB . . 4.610 3.930 3.667 4.440 . 0 0 "[ . 1 . 2]" 1 1481 1 64 ALA MB 1 65 LYS QG . . 4.350 3.571 3.142 4.060 . 0 0 "[ . 1 . 2]" 1 1482 1 64 ALA MB 1 66 GLU H . . 4.830 4.450 4.275 4.711 . 0 0 "[ . 1 . 2]" 1 1483 1 64 ALA MB 1 67 LEU H . . 5.500 4.744 4.544 4.932 . 0 0 "[ . 1 . 2]" 1 1484 1 64 ALA MB 1 72 PHE H . . 4.830 3.967 3.474 4.409 . 0 0 "[ . 1 . 2]" 1 1485 1 64 ALA MB 1 72 PHE HB2 . . 3.890 2.853 2.457 3.222 . 0 0 "[ . 1 . 2]" 1 1486 1 64 ALA MB 1 72 PHE HB3 . . 4.220 3.965 3.558 4.220 . 0 0 "[ . 1 . 2]" 1 1487 1 64 ALA MB 1 72 PHE QD . . 3.360 2.691 2.249 3.061 . 0 0 "[ . 1 . 2]" 1 1488 1 64 ALA MB 1 72 PHE QE . . 4.060 3.713 3.233 4.060 . 11 0 "[ . 1 . 2]" 1 1489 1 65 LYS H 1 65 LYS QB . . 2.890 2.564 2.497 2.647 . 0 0 "[ . 1 . 2]" 1 1490 1 65 LYS H 1 65 LYS QD . . 4.570 3.891 3.123 4.214 . 0 0 "[ . 1 . 2]" 1 1491 1 65 LYS H 1 65 LYS QE . . 4.870 3.725 2.855 4.850 . 0 0 "[ . 1 . 2]" 1 1492 1 65 LYS H 1 65 LYS HG2 . . 4.070 2.164 1.897 2.830 . 0 0 "[ . 1 . 2]" 1 1493 1 65 LYS H 1 65 LYS QG . . 3.300 2.009 1.875 2.245 . 0 0 "[ . 1 . 2]" 1 1494 1 65 LYS H 1 65 LYS HG3 . . 4.070 3.040 2.252 3.657 . 0 0 "[ . 1 . 2]" 1 1495 1 65 LYS H 1 66 GLU H . . 3.050 2.659 2.537 2.757 . 0 0 "[ . 1 . 2]" 1 1496 1 65 LYS H 1 66 GLU HB2 . . 5.470 5.089 4.791 5.322 . 0 0 "[ . 1 . 2]" 1 1497 1 65 LYS H 1 66 GLU HB3 . . 5.000 4.761 4.584 4.973 . 0 0 "[ . 1 . 2]" 1 1498 1 65 LYS H 1 67 LEU H . . 4.350 4.145 3.866 4.279 . 0 0 "[ . 1 . 2]" 1 1499 1 65 LYS HA 1 65 LYS QG . . 3.620 3.120 2.433 3.343 . 0 0 "[ . 1 . 2]" 1 1500 1 65 LYS HA 1 67 LEU H . . 4.630 4.298 3.897 4.556 . 0 0 "[ . 1 . 2]" 1 1501 1 65 LYS QB 1 65 LYS QD . . 3.360 2.171 2.029 2.279 . 0 0 "[ . 1 . 2]" 1 1502 1 65 LYS QB 1 65 LYS QE . . 3.890 2.881 1.980 3.650 . 0 0 "[ . 1 . 2]" 1 1503 1 65 LYS QB 1 66 GLU H . . 3.480 3.094 2.403 3.459 . 0 0 "[ . 1 . 2]" 1 1504 1 65 LYS QB 1 66 GLU HA . . 4.650 4.137 3.821 4.394 . 0 0 "[ . 1 . 2]" 1 1505 1 65 LYS QE 1 65 LYS HG2 . . 3.880 2.499 2.085 3.293 . 0 0 "[ . 1 . 2]" 1 1506 1 65 LYS QE 1 65 LYS QG . . 3.380 2.221 2.062 2.519 . 0 0 "[ . 1 . 2]" 1 1507 1 65 LYS QE 1 65 LYS HG3 . . 3.880 2.856 2.236 3.433 . 0 0 "[ . 1 . 2]" 1 1508 1 65 LYS QG 1 66 GLU H . . 4.810 2.425 1.810 3.878 . 0 0 "[ . 1 . 2]" 1 1509 1 66 GLU H 1 66 GLU HB2 . . 3.440 2.572 2.352 2.726 . 0 0 "[ . 1 . 2]" 1 1510 1 66 GLU H 1 66 GLU HB3 . . 3.140 2.489 2.339 2.710 . 0 0 "[ . 1 . 2]" 1 1511 1 66 GLU H 1 66 GLU HG2 . . 4.850 4.571 4.391 4.622 . 0 0 "[ . 1 . 2]" 1 1512 1 66 GLU H 1 66 GLU QG . . 4.190 4.006 3.957 4.063 . 0 0 "[ . 1 . 2]" 1 1513 1 66 GLU H 1 66 GLU HG3 . . 4.850 4.436 4.316 4.554 . 0 0 "[ . 1 . 2]" 1 1514 1 66 GLU H 1 67 LEU H . . 3.000 2.763 2.578 2.987 . 0 0 "[ . 1 . 2]" 1 1515 1 66 GLU H 1 67 LEU HG . . 5.360 4.687 4.310 4.934 . 0 0 "[ . 1 . 2]" 1 1516 1 66 GLU HA 1 66 GLU HG2 . . 3.950 3.646 2.900 3.842 . 0 0 "[ . 1 . 2]" 1 1517 1 66 GLU HA 1 66 GLU HG3 . . 3.950 3.164 2.825 3.442 . 0 0 "[ . 1 . 2]" 1 1518 1 66 GLU HA 1 67 LEU MD2 . . 5.060 4.727 4.545 4.913 . 0 0 "[ . 1 . 2]" 1 1519 1 66 GLU HA 1 68 PRO HD3 . . 4.710 4.185 3.951 4.382 . 0 0 "[ . 1 . 2]" 1 1520 1 66 GLU HB2 1 67 LEU H . . 4.390 3.941 3.718 4.159 . 0 0 "[ . 1 . 2]" 1 1521 1 66 GLU HB2 1 67 LEU HG . . 4.650 4.346 4.206 4.513 . 0 0 "[ . 1 . 2]" 1 1522 1 66 GLU HB3 1 67 LEU H . . 3.920 2.657 2.466 3.076 . 0 0 "[ . 1 . 2]" 1 1523 1 66 GLU HB3 1 67 LEU MD1 . . 4.340 3.912 3.713 4.281 . 0 0 "[ . 1 . 2]" 1 1524 1 66 GLU HB3 1 67 LEU MD2 . . 4.750 4.082 3.748 4.369 . 0 0 "[ . 1 . 2]" 1 1525 1 66 GLU HB3 1 67 LEU HG . . 3.960 2.821 2.539 3.037 . 0 0 "[ . 1 . 2]" 1 1526 1 66 GLU QG 1 67 LEU H . . 4.470 3.536 3.261 3.930 . 0 0 "[ . 1 . 2]" 1 1527 1 66 GLU QG 1 67 LEU MD2 . . 4.380 2.560 2.221 2.921 . 0 0 "[ . 1 . 2]" 1 1528 1 66 GLU QG 1 67 LEU HG . . 3.830 2.379 1.988 2.892 . 0 0 "[ . 1 . 2]" 1 1529 1 66 GLU HG2 1 67 LEU H . . 5.150 4.526 3.703 4.971 . 0 0 "[ . 1 . 2]" 1 1530 1 66 GLU HG2 1 67 LEU HG . . 4.450 3.377 2.329 3.976 . 0 0 "[ . 1 . 2]" 1 1531 1 66 GLU HG3 1 67 LEU H . . 5.150 3.832 3.345 4.952 . 0 0 "[ . 1 . 2]" 1 1532 1 66 GLU HG3 1 67 LEU HG . . 4.450 2.664 1.999 4.100 . 0 0 "[ . 1 . 2]" 1 1533 1 67 LEU H 1 67 LEU HB2 . . 3.530 2.696 2.595 2.857 . 0 0 "[ . 1 . 2]" 1 1534 1 67 LEU H 1 67 LEU MD1 . . 4.150 3.757 3.563 3.971 . 0 0 "[ . 1 . 2]" 1 1535 1 67 LEU H 1 67 LEU HG . . 3.540 2.721 2.505 2.997 . 0 0 "[ . 1 . 2]" 1 1536 1 67 LEU H 1 68 PRO HD2 . . 4.630 4.412 4.273 4.507 . 0 0 "[ . 1 . 2]" 1 1537 1 67 LEU H 1 68 PRO HD3 . . 4.190 3.854 3.622 4.013 . 0 0 "[ . 1 . 2]" 1 1538 1 67 LEU H 1 70 VAL HB . . 5.500 4.785 4.640 5.068 . 0 0 "[ . 1 . 2]" 1 1539 1 67 LEU H 1 72 PHE QE . . 4.890 4.070 3.828 4.512 . 0 0 "[ . 1 . 2]" 1 1540 1 67 LEU HA 1 67 LEU MD1 . . 4.250 3.955 3.919 4.003 . 0 0 "[ . 1 . 2]" 1 1541 1 67 LEU HA 1 67 LEU MD2 . . 3.050 2.336 2.068 2.560 . 0 0 "[ . 1 . 2]" 1 1542 1 67 LEU HA 1 67 LEU HG . . 3.800 3.090 2.994 3.171 . 0 0 "[ . 1 . 2]" 1 1543 1 67 LEU HA 1 68 PRO HD2 . . 3.000 1.930 1.915 1.954 . 0 0 "[ . 1 . 2]" 1 1544 1 67 LEU HA 1 68 PRO HD3 . . 3.290 2.616 2.546 2.691 . 0 0 "[ . 1 . 2]" 1 1545 1 67 LEU HA 1 68 PRO HG2 . . 4.870 4.120 4.114 4.132 . 0 0 "[ . 1 . 2]" 1 1546 1 67 LEU HA 1 68 PRO QG . . 4.240 3.797 3.780 3.819 . 0 0 "[ . 1 . 2]" 1 1547 1 67 LEU HA 1 68 PRO HG3 . . 4.870 4.448 4.407 4.496 . 0 0 "[ . 1 . 2]" 1 1548 1 67 LEU HA 1 69 GLN H . . 4.150 3.378 3.264 3.793 . 0 0 "[ . 1 . 2]" 1 1549 1 67 LEU HB2 1 67 LEU MD1 . . 3.080 2.163 2.030 2.337 . 0 0 "[ . 1 . 2]" 1 1550 1 67 LEU HB2 1 70 VAL H . . 4.160 3.885 3.483 4.159 . 0 0 "[ . 1 . 2]" 1 1551 1 67 LEU HB2 1 70 VAL HB . . 3.970 2.597 2.415 3.007 . 0 0 "[ . 1 . 2]" 1 1552 1 67 LEU HB2 1 70 VAL MG2 . . 3.680 2.640 2.211 2.939 . 0 0 "[ . 1 . 2]" 1 1553 1 67 LEU HB2 1 72 PHE QE . . 4.200 2.831 2.397 3.114 . 0 0 "[ . 1 . 2]" 1 1554 1 67 LEU HB2 1 72 PHE HZ . . 4.590 3.704 3.307 4.046 . 0 0 "[ . 1 . 2]" 1 1555 1 67 LEU HB2 1 119 VAL MG1 . . 4.270 3.858 3.670 4.013 . 0 0 "[ . 1 . 2]" 1 1556 1 67 LEU HB3 1 67 LEU MD1 . . 2.970 2.527 2.370 2.657 . 0 0 "[ . 1 . 2]" 1 1557 1 67 LEU HB3 1 67 LEU MD2 . . 3.250 2.215 2.080 2.346 . 0 0 "[ . 1 . 2]" 1 1558 1 67 LEU HB3 1 69 GLN H . . 4.550 3.532 3.291 4.131 . 0 0 "[ . 1 . 2]" 1 1559 1 67 LEU HB3 1 70 VAL H . . 4.030 3.627 3.009 3.972 . 0 0 "[ . 1 . 2]" 1 1560 1 67 LEU HB3 1 70 VAL HB . . 3.850 3.232 2.632 3.671 . 0 0 "[ . 1 . 2]" 1 1561 1 67 LEU HB3 1 70 VAL MG1 . . 5.410 4.328 3.854 4.771 . 0 0 "[ . 1 . 2]" 1 1562 1 67 LEU HB3 1 70 VAL MG2 . . 3.220 2.129 1.863 2.408 . 0 0 "[ . 1 . 2]" 1 1563 1 67 LEU MD1 1 72 PHE QD . . 5.500 5.219 4.789 5.480 . 0 0 "[ . 1 . 2]" 1 1564 1 67 LEU MD1 1 72 PHE QE . . 4.640 3.344 2.809 3.620 . 0 0 "[ . 1 . 2]" 1 1565 1 67 LEU MD1 1 72 PHE HZ . . 3.720 2.668 2.261 2.983 . 0 0 "[ . 1 . 2]" 1 1566 1 67 LEU MD1 1 119 VAL MG1 . . 2.670 1.930 1.750 2.302 . 0 0 "[ . 1 . 2]" 1 1567 1 67 LEU MD1 1 120 GLN H . . 5.380 3.840 3.494 4.352 . 0 0 "[ . 1 . 2]" 1 1568 1 67 LEU MD1 1 120 GLN HA . . 3.660 2.817 2.259 3.423 . 0 0 "[ . 1 . 2]" 1 1569 1 67 LEU MD1 1 120 GLN HB2 . . 5.500 4.806 4.332 5.298 . 0 0 "[ . 1 . 2]" 1 1570 1 67 LEU MD1 1 120 GLN QE . . 4.520 3.545 2.181 4.386 . 0 0 "[ . 1 . 2]" 1 1571 1 67 LEU MD1 1 120 GLN HG2 . . 3.930 2.832 1.980 3.446 . 0 0 "[ . 1 . 2]" 1 1572 1 67 LEU MD1 1 120 GLN HG3 . . 4.220 3.627 2.821 4.156 . 0 0 "[ . 1 . 2]" 1 1573 1 67 LEU MD2 1 68 PRO HD2 . . 4.370 3.581 3.322 3.795 . 0 0 "[ . 1 . 2]" 1 1574 1 67 LEU MD2 1 68 PRO HD3 . . 4.600 4.420 4.199 4.609 0.009 4 0 "[ . 1 . 2]" 1 1575 1 67 LEU MD2 1 69 GLN H . . 5.090 4.468 4.192 4.749 . 0 0 "[ . 1 . 2]" 1 1576 1 67 LEU MD2 1 69 GLN QE . . 3.480 2.625 1.767 3.355 . 0 0 "[ . 1 . 2]" 1 1577 1 67 LEU MD2 1 120 GLN HA . . 4.260 3.450 2.908 4.093 . 0 0 "[ . 1 . 2]" 1 1578 1 67 LEU MD2 1 120 GLN QE . . 4.620 3.384 1.850 4.407 . 0 0 "[ . 1 . 2]" 1 1579 1 67 LEU HG 1 120 GLN QE . . 5.340 4.463 2.520 5.342 0.002 2 0 "[ . 1 . 2]" 1 1580 1 68 PRO HA 1 70 VAL H . . 4.270 3.618 3.424 4.110 . 0 0 "[ . 1 . 2]" 1 1581 1 68 PRO HA 1 70 VAL MG2 . . 5.500 5.426 5.285 5.506 0.006 8 0 "[ . 1 . 2]" 1 1582 1 68 PRO QB 1 69 GLN H . . 4.050 3.370 2.954 3.485 . 0 0 "[ . 1 . 2]" 1 1583 1 68 PRO HD2 1 69 GLN H . . 3.770 2.711 2.652 2.748 . 0 0 "[ . 1 . 2]" 1 1584 1 68 PRO HD3 1 69 GLN H . . 4.440 3.875 3.839 3.897 . 0 0 "[ . 1 . 2]" 1 1585 1 68 PRO QG 1 69 GLN H . . 3.660 2.619 2.041 2.799 . 0 0 "[ . 1 . 2]" 1 1586 1 68 PRO HG2 1 69 GLN H . . 4.220 2.652 2.052 2.840 . 0 0 "[ . 1 . 2]" 1 1587 1 68 PRO HG3 1 69 GLN H . . 4.220 4.092 3.645 4.232 0.012 12 0 "[ . 1 . 2]" 1 1588 1 69 GLN H 1 69 GLN QB . . 3.090 2.569 2.312 2.718 . 0 0 "[ . 1 . 2]" 1 1589 1 69 GLN H 1 69 GLN HG2 . . 4.150 2.682 1.920 3.324 . 0 0 "[ . 1 . 2]" 1 1590 1 69 GLN H 1 69 GLN HG3 . . 4.150 3.579 1.978 3.961 . 0 0 "[ . 1 . 2]" 1 1591 1 69 GLN H 1 70 VAL H . . 3.060 2.645 2.480 2.765 . 0 0 "[ . 1 . 2]" 1 1592 1 69 GLN H 1 70 VAL HB . . 5.130 4.622 4.407 5.085 . 0 0 "[ . 1 . 2]" 1 1593 1 69 GLN H 1 70 VAL MG2 . . 4.030 3.640 3.300 4.020 . 0 0 "[ . 1 . 2]" 1 1594 1 69 GLN QB 1 70 VAL MG2 . . 4.850 3.920 3.786 4.081 . 0 0 "[ . 1 . 2]" 1 1595 1 69 GLN HB2 1 70 VAL MG2 . . 5.500 4.244 4.001 4.404 . 0 0 "[ . 1 . 2]" 1 1596 1 69 GLN HB3 1 70 VAL MG2 . . 5.500 4.618 4.459 4.830 . 0 0 "[ . 1 . 2]" 1 1597 1 69 GLN QE 1 69 GLN QG . . 3.070 2.150 2.066 2.235 . 0 0 "[ . 1 . 2]" 1 1598 1 69 GLN QE 1 70 VAL MG2 . . 4.670 3.376 1.778 4.406 . 0 0 "[ . 1 . 2]" 1 1599 1 69 GLN QE 1 123 ALA MB . . 4.030 3.161 1.746 4.024 . 0 0 "[ . 1 . 2]" 1 1600 1 69 GLN HE21 1 123 ALA MB . . 4.620 3.392 1.891 4.513 . 0 0 "[ . 1 . 2]" 1 1601 1 69 GLN HE22 1 123 ALA MB . . 4.620 3.975 2.052 4.620 . 0 0 "[ . 1 . 2]" 1 1602 1 69 GLN QG 1 70 VAL H . . 4.490 3.101 2.168 3.675 . 0 0 "[ . 1 . 2]" 1 1603 1 69 GLN QG 1 70 VAL MG2 . . 3.420 2.210 1.952 2.665 . 0 0 "[ . 1 . 2]" 1 1604 1 69 GLN QG 1 123 ALA MB . . 4.030 3.199 2.829 3.659 . 0 0 "[ . 1 . 2]" 1 1605 1 70 VAL H 1 70 VAL HB . . 2.920 2.617 2.466 2.729 . 0 0 "[ . 1 . 2]" 1 1606 1 70 VAL H 1 70 VAL MG1 . . 4.010 3.824 3.763 3.883 . 0 0 "[ . 1 . 2]" 1 1607 1 70 VAL H 1 70 VAL MG2 . . 3.170 2.692 2.116 3.038 . 0 0 "[ . 1 . 2]" 1 1608 1 70 VAL H 1 72 PHE QE . . 4.990 4.450 4.073 4.867 . 0 0 "[ . 1 . 2]" 1 1609 1 70 VAL HA 1 70 VAL MG1 . . 3.270 2.385 2.285 2.471 . 0 0 "[ . 1 . 2]" 1 1610 1 70 VAL HA 1 70 VAL MG2 . . 3.160 2.350 2.208 2.456 . 0 0 "[ . 1 . 2]" 1 1611 1 70 VAL HA 1 71 SER H . . 2.820 2.277 2.147 2.344 . 0 0 "[ . 1 . 2]" 1 1612 1 70 VAL HA 1 71 SER QB . . 4.660 4.223 3.920 4.559 . 0 0 "[ . 1 . 2]" 1 1613 1 70 VAL HB 1 71 SER H . . 4.530 3.858 3.708 4.151 . 0 0 "[ . 1 . 2]" 1 1614 1 70 VAL HB 1 72 PHE H . . 5.500 5.193 4.796 5.445 . 0 0 "[ . 1 . 2]" 1 1615 1 70 VAL HB 1 72 PHE QD . . 4.800 3.737 3.438 3.986 . 0 0 "[ . 1 . 2]" 1 1616 1 70 VAL HB 1 72 PHE QE . . 3.430 2.287 1.995 2.680 . 0 0 "[ . 1 . 2]" 1 1617 1 70 VAL HB 1 72 PHE HZ . . 4.510 3.840 3.466 4.170 . 0 0 "[ . 1 . 2]" 1 1618 1 70 VAL MG1 1 71 SER H . . 3.150 2.057 1.844 2.475 . 0 0 "[ . 1 . 2]" 1 1619 1 70 VAL MG1 1 71 SER HB2 . . 5.500 4.157 3.942 4.650 . 0 0 "[ . 1 . 2]" 1 1620 1 70 VAL MG1 1 71 SER HB3 . . 5.500 4.686 4.074 5.003 . 0 0 "[ . 1 . 2]" 1 1621 1 70 VAL MG1 1 72 PHE H . . 5.080 3.684 3.284 4.010 . 0 0 "[ . 1 . 2]" 1 1622 1 70 VAL MG1 1 72 PHE HA . . 5.130 3.826 3.703 3.946 . 0 0 "[ . 1 . 2]" 1 1623 1 70 VAL MG1 1 72 PHE QD . . 4.270 2.968 2.621 3.229 . 0 0 "[ . 1 . 2]" 1 1624 1 70 VAL MG1 1 72 PHE QE . . 3.770 2.569 2.160 2.867 . 0 0 "[ . 1 . 2]" 1 1625 1 70 VAL MG1 1 72 PHE HZ . . 3.950 2.904 2.559 3.404 . 0 0 "[ . 1 . 2]" 1 1626 1 70 VAL MG1 1 119 VAL MG1 . . 3.510 2.641 2.237 2.857 . 0 0 "[ . 1 . 2]" 1 1627 1 70 VAL MG1 1 123 ALA MB . . 4.240 3.681 3.021 4.219 . 0 0 "[ . 1 . 2]" 1 1628 1 70 VAL MG2 1 71 SER H . . 4.110 3.802 3.626 4.106 . 0 0 "[ . 1 . 2]" 1 1629 1 70 VAL MG2 1 72 PHE QD . . 5.500 4.924 4.758 5.092 . 0 0 "[ . 1 . 2]" 1 1630 1 70 VAL MG2 1 72 PHE QE . . 4.170 3.532 3.297 3.759 . 0 0 "[ . 1 . 2]" 1 1631 1 70 VAL MG2 1 119 VAL MG1 . . 2.940 2.803 2.418 2.944 0.004 1 0 "[ . 1 . 2]" 1 1632 1 70 VAL MG2 1 122 HIS HB2 . . 5.420 5.185 4.470 5.426 0.006 16 0 "[ . 1 . 2]" 1 1633 1 70 VAL MG2 1 123 ALA H . . 4.890 4.260 3.832 4.714 . 0 0 "[ . 1 . 2]" 1 1634 1 70 VAL MG2 1 123 ALA MB . . 2.580 2.107 1.789 2.453 . 0 0 "[ . 1 . 2]" 1 1635 1 71 SER H 1 71 SER QB . . 3.070 2.515 2.250 3.096 0.026 16 0 "[ . 1 . 2]" 1 1636 1 71 SER H 1 72 PHE H . . 4.980 4.180 4.021 4.343 . 0 0 "[ . 1 . 2]" 1 1637 1 71 SER QB 1 72 PHE H . . 3.850 3.595 3.405 3.856 0.006 5 0 "[ . 1 . 2]" 1 1638 1 71 SER QB 1 73 VAL MG1 . . 4.070 3.270 2.964 3.827 . 0 0 "[ . 1 . 2]" 1 1639 1 72 PHE H 1 72 PHE HB2 . . 3.320 2.435 2.373 2.482 . 0 0 "[ . 1 . 2]" 1 1640 1 72 PHE H 1 72 PHE HB3 . . 3.820 3.645 3.615 3.674 . 0 0 "[ . 1 . 2]" 1 1641 1 72 PHE H 1 72 PHE QD . . 3.380 2.421 2.022 2.732 . 0 0 "[ . 1 . 2]" 1 1642 1 72 PHE HA 1 72 PHE QD . . 3.810 3.016 2.877 3.150 . 0 0 "[ . 1 . 2]" 1 1643 1 72 PHE HA 1 72 PHE QE . . 5.130 4.638 4.571 4.707 . 0 0 "[ . 1 . 2]" 1 1644 1 72 PHE HA 1 73 VAL H . . 2.790 2.146 2.138 2.169 . 0 0 "[ . 1 . 2]" 1 1645 1 72 PHE HA 1 73 VAL MG2 . . 4.900 3.632 3.350 3.788 . 0 0 "[ . 1 . 2]" 1 1646 1 72 PHE HB2 1 73 VAL H . . 4.490 4.334 4.165 4.425 . 0 0 "[ . 1 . 2]" 1 1647 1 72 PHE HB3 1 73 VAL H . . 4.130 3.469 3.176 3.659 . 0 0 "[ . 1 . 2]" 1 1648 1 72 PHE QD 1 73 VAL H . . 4.680 4.324 4.124 4.522 . 0 0 "[ . 1 . 2]" 1 1649 1 72 PHE QD 1 119 VAL MG2 . . 4.800 4.347 4.079 4.532 . 0 0 "[ . 1 . 2]" 1 1650 1 72 PHE QE 1 119 VAL MG1 . . 3.640 2.728 2.060 3.039 . 0 0 "[ . 1 . 2]" 1 1651 1 72 PHE QE 1 119 VAL MG2 . . 3.790 2.525 2.125 2.882 . 0 0 "[ . 1 . 2]" 1 1652 1 72 PHE HZ 1 119 VAL MG1 . . 3.310 2.007 1.837 2.317 . 0 0 "[ . 1 . 2]" 1 1653 1 72 PHE HZ 1 119 VAL MG2 . . 4.700 3.343 2.905 3.788 . 0 0 "[ . 1 . 2]" 1 1654 1 73 VAL H 1 73 VAL HB . . 3.960 3.802 3.729 3.868 . 0 0 "[ . 1 . 2]" 1 1655 1 73 VAL H 1 73 VAL MG1 . . 3.990 3.054 2.846 3.261 . 0 0 "[ . 1 . 2]" 1 1656 1 73 VAL H 1 73 VAL MG2 . . 3.250 2.033 1.899 2.337 . 0 0 "[ . 1 . 2]" 1 1657 1 73 VAL HA 1 73 VAL MG1 . . 3.300 2.282 2.088 2.409 . 0 0 "[ . 1 . 2]" 1 1658 1 73 VAL HA 1 74 LYS H . . 2.980 2.154 2.141 2.199 . 0 0 "[ . 1 . 2]" 1 1659 1 73 VAL HA 1 74 LYS QG . . 5.340 3.888 3.641 4.831 . 0 0 "[ . 1 . 2]" 1 1660 1 73 VAL HB 1 74 LYS H . . 3.540 3.251 2.977 3.387 . 0 0 "[ . 1 . 2]" 1 1661 1 73 VAL MG1 1 74 LYS H . . 4.100 3.889 3.669 4.004 . 0 0 "[ . 1 . 2]" 1 1662 1 73 VAL MG2 1 75 LEU H . . 5.500 4.901 4.181 5.379 . 0 0 "[ . 1 . 2]" 1 1663 1 74 LYS H 1 74 LYS QB . . 3.790 2.793 2.681 2.987 . 0 0 "[ . 1 . 2]" 1 1664 1 74 LYS H 1 74 LYS HG2 . . 4.240 2.093 1.899 2.969 . 0 0 "[ . 1 . 2]" 1 1665 1 74 LYS H 1 74 LYS QG . . 3.500 2.069 1.889 2.887 . 0 0 "[ . 1 . 2]" 1 1666 1 74 LYS H 1 74 LYS HG3 . . 4.240 3.324 2.990 3.944 . 0 0 "[ . 1 . 2]" 1 1667 1 74 LYS H 1 75 LEU H . . 4.760 4.441 4.213 4.543 . 0 0 "[ . 1 . 2]" 1 1668 1 74 LYS HA 1 74 LYS QG . . 3.730 3.343 3.333 3.388 . 0 0 "[ . 1 . 2]" 1 1669 1 74 LYS HA 1 75 LEU H . . 2.930 2.170 2.145 2.308 . 0 0 "[ . 1 . 2]" 1 1670 1 74 LYS HA 1 75 LEU QB . . 4.500 4.006 3.920 4.085 . 0 0 "[ . 1 . 2]" 1 1671 1 74 LYS QB 1 74 LYS QD . . 3.450 2.114 2.060 2.155 . 0 0 "[ . 1 . 2]" 1 1672 1 74 LYS QB 1 74 LYS HE2 . . 4.720 3.791 3.301 4.256 . 0 0 "[ . 1 . 2]" 1 1673 1 74 LYS QB 1 74 LYS QE . . 4.090 3.050 2.283 3.636 . 0 0 "[ . 1 . 2]" 1 1674 1 74 LYS QB 1 74 LYS HE3 . . 4.720 3.297 2.318 4.121 . 0 0 "[ . 1 . 2]" 1 1675 1 74 LYS QB 1 75 LEU H . . 3.750 3.124 2.689 3.424 . 0 0 "[ . 1 . 2]" 1 1676 1 74 LYS QG 1 75 LEU H . . 4.920 4.026 3.481 4.332 . 0 0 "[ . 1 . 2]" 1 1677 1 75 LEU H 1 75 LEU QB . . 3.320 2.432 2.299 2.633 . 0 0 "[ . 1 . 2]" 1 1678 1 75 LEU H 1 75 LEU MD1 . . 5.310 4.586 4.478 4.738 . 0 0 "[ . 1 . 2]" 1 1679 1 75 LEU H 1 75 LEU MD2 . . 4.970 3.680 3.510 4.030 . 0 0 "[ . 1 . 2]" 1 1680 1 75 LEU H 1 75 LEU HG . . 4.660 4.594 4.510 4.666 0.006 11 0 "[ . 1 . 2]" 1 1681 1 75 LEU H 1 76 GLU H . . 5.500 4.417 4.239 4.499 . 0 0 "[ . 1 . 2]" 1 1682 1 75 LEU HA 1 75 LEU MD1 . . 4.280 3.646 3.579 3.771 . 0 0 "[ . 1 . 2]" 1 1683 1 75 LEU HA 1 75 LEU MD2 . . 3.920 3.478 3.265 3.596 . 0 0 "[ . 1 . 2]" 1 1684 1 75 LEU HA 1 75 LEU HG . . 3.780 2.676 2.471 2.792 . 0 0 "[ . 1 . 2]" 1 1685 1 75 LEU HA 1 76 GLU H . . 3.030 2.207 2.146 2.285 . 0 0 "[ . 1 . 2]" 1 1686 1 75 LEU QB 1 75 LEU MD1 . . 2.840 2.000 1.931 2.099 . 0 0 "[ . 1 . 2]" 1 1687 1 75 LEU QB 1 75 LEU MD2 . . 2.940 2.089 1.996 2.177 . 0 0 "[ . 1 . 2]" 1 1688 1 75 LEU QB 1 76 GLU H . . 4.220 3.597 3.451 3.748 . 0 0 "[ . 1 . 2]" 1 1689 1 75 LEU QB 1 77 ALA HA . . 5.500 5.252 4.886 5.494 . 0 0 "[ . 1 . 2]" 1 1690 1 75 LEU MD1 1 76 GLU H . . 4.770 4.068 3.753 4.509 . 0 0 "[ . 1 . 2]" 1 1691 1 75 LEU MD1 1 77 ALA HA . . 5.500 4.675 4.579 4.824 . 0 0 "[ . 1 . 2]" 1 1692 1 75 LEU MD1 1 77 ALA MB . . 5.500 5.482 5.431 5.508 0.008 17 0 "[ . 1 . 2]" 1 1693 1 75 LEU MD1 1 80 VAL HB . . 3.810 2.270 1.910 2.878 . 0 0 "[ . 1 . 2]" 1 1694 1 75 LEU MD1 1 80 VAL MG1 . . 3.720 2.459 2.110 2.946 . 0 0 "[ . 1 . 2]" 1 1695 1 75 LEU MD1 1 80 VAL MG2 . . 3.860 2.588 1.975 3.305 . 0 0 "[ . 1 . 2]" 1 1696 1 75 LEU MD1 1 83 VAL H . . 5.020 4.109 3.826 4.364 . 0 0 "[ . 1 . 2]" 1 1697 1 75 LEU MD1 1 83 VAL HB . . 4.000 2.469 2.053 2.841 . 0 0 "[ . 1 . 2]" 1 1698 1 75 LEU MD1 1 83 VAL MG2 . . 3.900 2.646 2.341 2.881 . 0 0 "[ . 1 . 2]" 1 1699 1 75 LEU MD1 1 84 SER H . . 5.160 4.055 3.521 4.531 . 0 0 "[ . 1 . 2]" 1 1700 1 75 LEU MD2 1 76 GLU H . . 4.180 3.016 2.407 3.297 . 0 0 "[ . 1 . 2]" 1 1701 1 75 LEU MD2 1 77 ALA H . . 4.780 3.059 2.798 3.246 . 0 0 "[ . 1 . 2]" 1 1702 1 75 LEU MD2 1 77 ALA HA . . 3.470 2.492 2.357 2.628 . 0 0 "[ . 1 . 2]" 1 1703 1 75 LEU MD2 1 80 VAL H . . 3.980 3.244 2.814 3.869 . 0 0 "[ . 1 . 2]" 1 1704 1 75 LEU MD2 1 80 VAL HB . . 3.170 2.678 2.145 3.141 . 0 0 "[ . 1 . 2]" 1 1705 1 75 LEU MD2 1 80 VAL MG1 . . 4.290 3.653 3.223 4.040 . 0 0 "[ . 1 . 2]" 1 1706 1 75 LEU MD2 1 80 VAL MG2 . . 4.020 3.541 3.173 3.987 . 0 0 "[ . 1 . 2]" 1 1707 1 75 LEU MD2 1 83 VAL HB . . 3.510 3.374 3.138 3.512 0.002 16 0 "[ . 1 . 2]" 1 1708 1 75 LEU MD2 1 84 SER H . . 4.960 3.862 3.322 4.293 . 0 0 "[ . 1 . 2]" 1 1709 1 75 LEU HG 1 76 GLU H . . 4.350 2.441 2.055 2.984 . 0 0 "[ . 1 . 2]" 1 1710 1 75 LEU HG 1 80 VAL H . . 5.500 3.905 3.335 4.555 . 0 0 "[ . 1 . 2]" 1 1711 1 75 LEU HG 1 80 VAL HB . . 4.390 2.744 2.197 3.167 . 0 0 "[ . 1 . 2]" 1 1712 1 75 LEU HG 1 80 VAL MG2 . . 3.660 2.715 2.286 3.190 . 0 0 "[ . 1 . 2]" 1 1713 1 76 GLU H 1 76 GLU HB2 . . 3.530 2.464 2.190 2.710 . 0 0 "[ . 1 . 2]" 1 1714 1 76 GLU H 1 76 GLU HB3 . . 3.570 2.748 2.452 3.469 . 0 0 "[ . 1 . 2]" 1 1715 1 76 GLU H 1 80 VAL MG2 . . 4.740 3.517 3.040 3.905 . 0 0 "[ . 1 . 2]" 1 1716 1 76 GLU HA 1 77 ALA H . . 3.160 2.152 2.139 2.185 . 0 0 "[ . 1 . 2]" 1 1717 1 76 GLU HA 1 77 ALA MB . . 4.420 3.957 3.909 4.003 . 0 0 "[ . 1 . 2]" 1 1718 1 76 GLU HB2 1 79 GLY H . . 4.580 3.917 3.408 4.572 . 0 0 "[ . 1 . 2]" 1 1719 1 76 GLU HB2 1 79 GLY HA3 . . 4.860 3.616 2.523 3.886 . 0 0 "[ . 1 . 2]" 1 1720 1 76 GLU HB2 1 80 VAL MG2 . . 5.470 4.711 3.349 5.125 . 0 0 "[ . 1 . 2]" 1 1721 1 76 GLU HB3 1 77 ALA H . . 5.360 4.197 3.689 4.431 . 0 0 "[ . 1 . 2]" 1 1722 1 76 GLU HB3 1 79 GLY H . . 3.820 2.362 1.890 3.261 . 0 0 "[ . 1 . 2]" 1 1723 1 76 GLU HB3 1 79 GLY HA2 . . 4.610 3.662 3.489 4.043 . 0 0 "[ . 1 . 2]" 1 1724 1 76 GLU HB3 1 79 GLY HA3 . . 3.930 2.105 2.007 2.308 . 0 0 "[ . 1 . 2]" 1 1725 1 76 GLU HB3 1 80 VAL H . . 4.410 3.334 2.837 3.671 . 0 0 "[ . 1 . 2]" 1 1726 1 76 GLU HB3 1 80 VAL MG2 . . 4.410 3.885 3.268 4.188 . 0 0 "[ . 1 . 2]" 1 1727 1 76 GLU QG 1 78 GLU H . . 4.500 2.737 2.044 4.513 0.013 1 0 "[ . 1 . 2]" 1 1728 1 76 GLU QG 1 79 GLY H . . 3.750 2.558 1.920 3.762 0.012 1 0 "[ . 1 . 2]" 1 1729 1 76 GLU QG 1 79 GLY HA3 . . 4.970 3.604 2.540 3.961 . 0 0 "[ . 1 . 2]" 1 1730 1 77 ALA H 1 77 ALA MB . . 3.100 2.132 2.039 2.242 . 0 0 "[ . 1 . 2]" 1 1731 1 77 ALA H 1 78 GLU H . . 3.920 2.916 2.696 3.043 . 0 0 "[ . 1 . 2]" 1 1732 1 77 ALA H 1 92 VAL MG1 . . 4.680 3.863 3.414 4.149 . 0 0 "[ . 1 . 2]" 1 1733 1 77 ALA HA 1 84 SER HG . . 3.530 2.543 2.001 3.012 . 0 0 "[ . 1 . 2]" 1 1734 1 77 ALA MB 1 78 GLU H . . 3.370 2.503 2.253 2.800 . 0 0 "[ . 1 . 2]" 1 1735 1 77 ALA MB 1 78 GLU HA . . 4.480 3.784 3.676 3.921 . 0 0 "[ . 1 . 2]" 1 1736 1 77 ALA MB 1 78 GLU HB2 . . 4.700 4.260 3.991 4.484 . 0 0 "[ . 1 . 2]" 1 1737 1 77 ALA MB 1 78 GLU HG2 . . 4.810 3.680 2.993 4.721 . 0 0 "[ . 1 . 2]" 1 1738 1 77 ALA MB 1 78 GLU HG3 . . 4.810 4.186 3.326 4.812 0.002 20 0 "[ . 1 . 2]" 1 1739 1 77 ALA MB 1 84 SER HB2 . . 5.060 4.475 4.166 4.943 . 0 0 "[ . 1 . 2]" 1 1740 1 77 ALA MB 1 84 SER HB3 . . 4.550 3.686 3.369 4.305 . 0 0 "[ . 1 . 2]" 1 1741 1 77 ALA MB 1 84 SER HG . . 4.190 3.395 2.514 4.112 . 0 0 "[ . 1 . 2]" 1 1742 1 77 ALA MB 1 89 ILE MG . . 3.620 3.164 2.801 3.620 . 0 0 "[ . 1 . 2]" 1 1743 1 77 ALA MB 1 92 VAL HB . . 5.200 4.769 4.150 5.194 . 0 0 "[ . 1 . 2]" 1 1744 1 77 ALA MB 1 92 VAL MG1 . . 2.970 2.538 2.020 2.807 . 0 0 "[ . 1 . 2]" 1 1745 1 77 ALA MB 1 92 VAL MG2 . . 4.070 3.770 3.249 4.071 0.001 10 0 "[ . 1 . 2]" 1 1746 1 78 GLU H 1 78 GLU HB2 . . 3.230 2.329 2.185 2.510 . 0 0 "[ . 1 . 2]" 1 1747 1 78 GLU H 1 78 GLU HB3 . . 3.820 3.564 3.491 3.611 . 0 0 "[ . 1 . 2]" 1 1748 1 78 GLU H 1 78 GLU HG2 . . 4.190 3.150 2.434 3.956 . 0 0 "[ . 1 . 2]" 1 1749 1 78 GLU H 1 78 GLU QG . . 3.450 2.758 2.403 3.433 . 0 0 "[ . 1 . 2]" 1 1750 1 78 GLU H 1 78 GLU HG3 . . 4.190 3.453 2.563 4.027 . 0 0 "[ . 1 . 2]" 1 1751 1 78 GLU H 1 79 GLY H . . 3.410 2.460 2.225 2.685 . 0 0 "[ . 1 . 2]" 1 1752 1 78 GLU H 1 79 GLY HA3 . . 5.500 4.726 4.509 4.868 . 0 0 "[ . 1 . 2]" 1 1753 1 78 GLU H 1 80 VAL H . . 4.720 4.385 4.062 4.719 . 0 0 "[ . 1 . 2]" 1 1754 1 78 GLU HA 1 78 GLU HG2 . . 3.840 2.771 2.221 3.724 . 0 0 "[ . 1 . 2]" 1 1755 1 78 GLU HA 1 78 GLU QG . . 3.140 2.526 2.179 2.885 . 0 0 "[ . 1 . 2]" 1 1756 1 78 GLU HA 1 78 GLU HG3 . . 3.840 3.344 2.453 3.734 . 0 0 "[ . 1 . 2]" 1 1757 1 78 GLU HA 1 81 PRO HB3 . . 5.050 4.220 4.021 4.766 . 0 0 "[ . 1 . 2]" 1 1758 1 78 GLU HA 1 81 PRO HD3 . . 5.060 4.265 4.032 4.501 . 0 0 "[ . 1 . 2]" 1 1759 1 78 GLU HB2 1 79 GLY H . . 4.500 3.118 2.943 4.004 . 0 0 "[ . 1 . 2]" 1 1760 1 78 GLU HB3 1 79 GLY H . . 4.600 3.848 3.590 4.343 . 0 0 "[ . 1 . 2]" 1 1761 1 78 GLU QG 1 79 GLY H . . 4.970 4.411 4.170 4.639 . 0 0 "[ . 1 . 2]" 1 1762 1 79 GLY H 1 80 VAL H . . 2.980 2.577 1.946 2.779 . 0 0 "[ . 1 . 2]" 1 1763 1 79 GLY H 1 80 VAL MG2 . . 4.660 4.454 4.083 4.643 . 0 0 "[ . 1 . 2]" 1 1764 1 79 GLY HA2 1 80 VAL MG2 . . 4.870 4.182 4.034 4.360 . 0 0 "[ . 1 . 2]" 1 1765 1 79 GLY HA2 1 81 PRO HD3 . . 4.990 3.931 3.765 4.121 . 0 0 "[ . 1 . 2]" 1 1766 1 79 GLY HA3 1 80 VAL H . . 3.490 2.746 2.561 2.908 . 0 0 "[ . 1 . 2]" 1 1767 1 79 GLY HA3 1 80 VAL MG2 . . 4.160 3.276 3.058 3.491 . 0 0 "[ . 1 . 2]" 1 1768 1 80 VAL H 1 80 VAL HB . . 3.420 2.689 2.587 2.848 . 0 0 "[ . 1 . 2]" 1 1769 1 80 VAL H 1 80 VAL MG1 . . 4.270 3.872 3.832 3.937 . 0 0 "[ . 1 . 2]" 1 1770 1 80 VAL H 1 80 VAL MG2 . . 3.310 2.704 2.447 2.876 . 0 0 "[ . 1 . 2]" 1 1771 1 80 VAL H 1 81 PRO HA . . 4.900 4.683 4.507 4.842 . 0 0 "[ . 1 . 2]" 1 1772 1 80 VAL H 1 81 PRO HD2 . . 4.520 4.210 4.070 4.311 . 0 0 "[ . 1 . 2]" 1 1773 1 80 VAL H 1 81 PRO HD3 . . 4.060 3.543 3.331 3.697 . 0 0 "[ . 1 . 2]" 1 1774 1 80 VAL H 1 84 SER HG . . 5.020 4.502 3.937 4.964 . 0 0 "[ . 1 . 2]" 1 1775 1 80 VAL HA 1 80 VAL MG1 . . 3.120 2.311 2.181 2.441 . 0 0 "[ . 1 . 2]" 1 1776 1 80 VAL HA 1 80 VAL MG2 . . 3.380 2.405 2.286 2.519 . 0 0 "[ . 1 . 2]" 1 1777 1 80 VAL HA 1 81 PRO HD2 . . 3.040 1.996 1.967 2.030 . 0 0 "[ . 1 . 2]" 1 1778 1 80 VAL HA 1 81 PRO HD3 . . 3.360 2.779 2.720 2.839 . 0 0 "[ . 1 . 2]" 1 1779 1 80 VAL HA 1 81 PRO QG . . 4.530 3.855 3.832 3.881 . 0 0 "[ . 1 . 2]" 1 1780 1 80 VAL HA 1 82 GLU H . . 4.460 3.303 3.114 3.644 . 0 0 "[ . 1 . 2]" 1 1781 1 80 VAL HA 1 83 VAL H . . 5.160 4.572 4.420 4.719 . 0 0 "[ . 1 . 2]" 1 1782 1 80 VAL HB 1 83 VAL H . . 4.330 4.098 3.756 4.315 . 0 0 "[ . 1 . 2]" 1 1783 1 80 VAL HB 1 83 VAL MG1 . . 5.170 4.898 4.616 5.102 . 0 0 "[ . 1 . 2]" 1 1784 1 80 VAL HB 1 84 SER H . . 4.650 4.454 4.049 4.648 . 0 0 "[ . 1 . 2]" 1 1785 1 80 VAL MG1 1 81 PRO HD2 . . 4.080 3.396 3.256 3.514 . 0 0 "[ . 1 . 2]" 1 1786 1 80 VAL MG1 1 81 PRO HD3 . . 4.860 4.395 4.317 4.450 . 0 0 "[ . 1 . 2]" 1 1787 1 80 VAL MG1 1 82 GLU H . . 3.980 2.671 2.221 3.362 . 0 0 "[ . 1 . 2]" 1 1788 1 80 VAL MG1 1 82 GLU HA . . 5.390 4.483 4.266 4.909 . 0 0 "[ . 1 . 2]" 1 1789 1 80 VAL MG1 1 82 GLU QB . . 3.790 2.514 2.240 3.780 . 0 0 "[ . 1 . 2]" 1 1790 1 80 VAL MG1 1 82 GLU QG . . 3.960 3.770 1.917 3.967 0.007 7 0 "[ . 1 . 2]" 1 1791 1 80 VAL MG1 1 83 VAL H . . 3.150 2.160 1.866 2.371 . 0 0 "[ . 1 . 2]" 1 1792 1 80 VAL MG1 1 83 VAL HB . . 4.200 2.605 2.133 3.132 . 0 0 "[ . 1 . 2]" 1 1793 1 80 VAL MG1 1 84 SER H . . 4.380 3.591 3.115 3.978 . 0 0 "[ . 1 . 2]" 1 1794 1 80 VAL MG2 1 81 PRO HD3 . . 4.970 4.475 4.426 4.509 . 0 0 "[ . 1 . 2]" 1 1795 1 81 PRO HA 1 83 VAL H . . 4.650 4.362 3.920 4.628 . 0 0 "[ . 1 . 2]" 1 1796 1 81 PRO HA 1 84 SER H . . 3.910 3.410 3.169 3.854 . 0 0 "[ . 1 . 2]" 1 1797 1 81 PRO HA 1 84 SER HB2 . . 3.390 2.391 2.148 2.672 . 0 0 "[ . 1 . 2]" 1 1798 1 81 PRO HA 1 84 SER HB3 . . 4.490 3.944 3.753 4.261 . 0 0 "[ . 1 . 2]" 1 1799 1 81 PRO HA 1 84 SER HG . . 4.100 2.972 2.240 3.784 . 0 0 "[ . 1 . 2]" 1 1800 1 81 PRO HA 1 85 GLU H . . 4.240 3.826 3.626 4.067 . 0 0 "[ . 1 . 2]" 1 1801 1 81 PRO HB2 1 82 GLU H . . 4.300 3.543 3.116 3.847 . 0 0 "[ . 1 . 2]" 1 1802 1 81 PRO HB2 1 84 SER HB2 . . 5.430 4.459 4.223 4.952 . 0 0 "[ . 1 . 2]" 1 1803 1 81 PRO HD2 1 82 GLU H . . 3.930 2.719 2.648 2.888 . 0 0 "[ . 1 . 2]" 1 1804 1 81 PRO HD3 1 82 GLU H . . 4.700 3.879 3.838 3.971 . 0 0 "[ . 1 . 2]" 1 1805 1 81 PRO QG 1 82 GLU H . . 3.090 2.632 2.108 3.070 . 0 0 "[ . 1 . 2]" 1 1806 1 81 PRO QG 1 82 GLU HA . . 4.660 4.054 3.942 4.222 . 0 0 "[ . 1 . 2]" 1 1807 1 82 GLU H 1 82 GLU QB . . 3.340 2.262 2.198 2.616 . 0 0 "[ . 1 . 2]" 1 1808 1 82 GLU H 1 82 GLU QG . . 4.080 3.910 1.908 4.061 . 0 0 "[ . 1 . 2]" 1 1809 1 82 GLU H 1 83 VAL H . . 3.320 2.820 2.458 3.044 . 0 0 "[ . 1 . 2]" 1 1810 1 82 GLU H 1 83 VAL MG2 . . 4.930 4.434 4.165 4.678 . 0 0 "[ . 1 . 2]" 1 1811 1 82 GLU H 1 84 SER H . . 5.130 4.239 3.783 4.650 . 0 0 "[ . 1 . 2]" 1 1812 1 82 GLU HA 1 82 GLU QG . . 3.320 2.795 2.295 3.312 . 0 0 "[ . 1 . 2]" 1 1813 1 82 GLU HA 1 83 VAL MG2 . . 5.500 4.868 4.729 4.953 . 0 0 "[ . 1 . 2]" 1 1814 1 82 GLU HA 1 84 SER H . . 5.420 4.904 4.544 5.253 . 0 0 "[ . 1 . 2]" 1 1815 1 82 GLU HA 1 85 GLU H . . 4.320 4.046 3.848 4.215 . 0 0 "[ . 1 . 2]" 1 1816 1 82 GLU QB 1 83 VAL H . . 3.120 2.460 2.263 3.120 . 0 0 "[ . 1 . 2]" 1 1817 1 82 GLU QB 1 83 VAL MG2 . . 4.420 3.019 2.875 3.476 . 0 0 "[ . 1 . 2]" 1 1818 1 82 GLU QG 1 83 VAL H . . 4.190 3.411 2.013 3.917 . 0 0 "[ . 1 . 2]" 1 1819 1 82 GLU QG 1 83 VAL HA . . 4.860 3.626 3.305 3.990 . 0 0 "[ . 1 . 2]" 1 1820 1 82 GLU QG 1 83 VAL MG2 . . 3.810 3.232 2.103 3.791 . 0 0 "[ . 1 . 2]" 1 1821 1 83 VAL H 1 83 VAL HB . . 3.300 2.481 2.438 2.516 . 0 0 "[ . 1 . 2]" 1 1822 1 83 VAL H 1 83 VAL MG1 . . 4.160 3.764 3.754 3.783 . 0 0 "[ . 1 . 2]" 1 1823 1 83 VAL H 1 83 VAL MG2 . . 3.240 2.303 2.121 2.605 . 0 0 "[ . 1 . 2]" 1 1824 1 83 VAL H 1 84 SER H . . 3.040 2.577 2.212 2.783 . 0 0 "[ . 1 . 2]" 1 1825 1 83 VAL H 1 84 SER HB2 . . 5.320 4.789 4.320 5.058 . 0 0 "[ . 1 . 2]" 1 1826 1 83 VAL H 1 85 GLU H . . 4.510 4.051 3.786 4.259 . 0 0 "[ . 1 . 2]" 1 1827 1 83 VAL HA 1 83 VAL MG1 . . 3.180 2.408 2.331 2.478 . 0 0 "[ . 1 . 2]" 1 1828 1 83 VAL HA 1 83 VAL MG2 . . 3.070 2.339 2.243 2.443 . 0 0 "[ . 1 . 2]" 1 1829 1 83 VAL HA 1 86 LYS HB2 . . 3.970 3.462 3.203 3.881 . 0 0 "[ . 1 . 2]" 1 1830 1 83 VAL HA 1 86 LYS QB . . 3.290 2.909 2.538 3.071 . 0 0 "[ . 1 . 2]" 1 1831 1 83 VAL HA 1 86 LYS HB3 . . 3.970 3.155 2.661 3.460 . 0 0 "[ . 1 . 2]" 1 1832 1 83 VAL HA 1 87 TYR QD . . 4.310 3.785 3.193 4.130 . 0 0 "[ . 1 . 2]" 1 1833 1 83 VAL HA 1 87 TYR QE . . 4.470 4.106 3.529 4.469 . 0 0 "[ . 1 . 2]" 1 1834 1 83 VAL HB 1 84 SER H . . 3.240 2.471 2.211 2.877 . 0 0 "[ . 1 . 2]" 1 1835 1 83 VAL MG1 1 84 SER H . . 4.060 3.297 3.055 3.576 . 0 0 "[ . 1 . 2]" 1 1836 1 83 VAL MG1 1 84 SER HA . . 4.240 3.404 3.156 3.551 . 0 0 "[ . 1 . 2]" 1 1837 1 83 VAL MG1 1 85 GLU H . . 5.180 4.733 4.615 4.852 . 0 0 "[ . 1 . 2]" 1 1838 1 83 VAL MG1 1 86 LYS QB . . 4.240 3.323 2.984 3.624 . 0 0 "[ . 1 . 2]" 1 1839 1 83 VAL MG1 1 86 LYS QD . . 5.340 3.767 3.307 5.085 . 0 0 "[ . 1 . 2]" 1 1840 1 83 VAL MG1 1 87 TYR HB2 . . 5.280 3.780 2.913 4.214 . 0 0 "[ . 1 . 2]" 1 1841 1 83 VAL MG1 1 87 TYR QD . . 3.110 2.172 1.971 2.525 . 0 0 "[ . 1 . 2]" 1 1842 1 83 VAL MG1 1 87 TYR QE . . 3.050 2.287 2.078 2.514 . 0 0 "[ . 1 . 2]" 1 1843 1 83 VAL MG1 1 89 ILE HB . . 5.500 5.003 4.802 5.201 . 0 0 "[ . 1 . 2]" 1 1844 1 83 VAL MG2 1 84 SER H . . 4.420 3.806 3.720 3.980 . 0 0 "[ . 1 . 2]" 1 1845 1 83 VAL MG2 1 87 TYR QE . . 4.260 3.945 3.721 4.238 . 0 0 "[ . 1 . 2]" 1 1846 1 84 SER H 1 84 SER HB2 . . 3.740 2.679 2.464 2.868 . 0 0 "[ . 1 . 2]" 1 1847 1 84 SER H 1 84 SER HB3 . . 4.020 3.585 3.544 3.603 . 0 0 "[ . 1 . 2]" 1 1848 1 84 SER H 1 84 SER HG . . 3.820 2.661 1.899 3.435 . 0 0 "[ . 1 . 2]" 1 1849 1 84 SER H 1 85 GLU H . . 3.440 2.835 2.654 3.008 . 0 0 "[ . 1 . 2]" 1 1850 1 84 SER H 1 86 LYS H . . 4.880 4.636 4.445 4.757 . 0 0 "[ . 1 . 2]" 1 1851 1 84 SER HA 1 87 TYR H . . 5.010 3.984 3.685 4.180 . 0 0 "[ . 1 . 2]" 1 1852 1 84 SER HA 1 87 TYR HB2 . . 5.500 3.600 3.051 3.873 . 0 0 "[ . 1 . 2]" 1 1853 1 84 SER HA 1 87 TYR QD . . 5.300 4.046 3.705 4.555 . 0 0 "[ . 1 . 2]" 1 1854 1 84 SER HA 1 89 ILE H . . 4.340 2.878 2.665 3.121 . 0 0 "[ . 1 . 2]" 1 1855 1 84 SER HA 1 89 ILE HB . . 3.720 2.563 2.381 2.758 . 0 0 "[ . 1 . 2]" 1 1856 1 84 SER HA 1 89 ILE HG12 . . 3.890 3.533 3.332 3.761 . 0 0 "[ . 1 . 2]" 1 1857 1 84 SER HA 1 89 ILE HG13 . . 3.940 3.583 3.102 3.849 . 0 0 "[ . 1 . 2]" 1 1858 1 84 SER HB2 1 85 GLU H . . 3.880 2.671 2.547 2.858 . 0 0 "[ . 1 . 2]" 1 1859 1 84 SER HB2 1 85 GLU QB . . 5.340 4.238 3.904 4.566 . 0 0 "[ . 1 . 2]" 1 1860 1 84 SER HB2 1 89 ILE HB . . 4.620 4.500 4.351 4.612 . 0 0 "[ . 1 . 2]" 1 1861 1 84 SER HB3 1 85 GLU H . . 4.250 3.798 3.636 3.999 . 0 0 "[ . 1 . 2]" 1 1862 1 84 SER HB3 1 89 ILE H . . 4.810 3.438 3.290 3.624 . 0 0 "[ . 1 . 2]" 1 1863 1 84 SER HB3 1 89 ILE HB . . 3.360 2.929 2.749 3.070 . 0 0 "[ . 1 . 2]" 1 1864 1 84 SER HB3 1 89 ILE HG12 . . 4.980 4.939 4.861 4.982 0.002 19 0 "[ . 1 . 2]" 1 1865 1 84 SER HB3 1 89 ILE HG13 . . 5.310 5.053 4.707 5.263 . 0 0 "[ . 1 . 2]" 1 1866 1 84 SER HG 1 89 ILE MG . . 5.450 4.831 4.182 5.325 . 0 0 "[ . 1 . 2]" 1 1867 1 85 GLU H 1 85 GLU HB2 . . 3.620 2.427 2.194 3.594 . 0 0 "[ . 1 . 2]" 1 1868 1 85 GLU H 1 85 GLU QB . . 2.930 2.236 2.151 2.430 . 0 0 "[ . 1 . 2]" 1 1869 1 85 GLU H 1 85 GLU HB3 . . 3.620 3.027 2.461 3.567 . 0 0 "[ . 1 . 2]" 1 1870 1 85 GLU H 1 85 GLU QG . . 4.340 3.324 2.229 4.061 . 0 0 "[ . 1 . 2]" 1 1871 1 85 GLU H 1 86 LYS H . . 3.260 2.803 2.653 2.948 . 0 0 "[ . 1 . 2]" 1 1872 1 85 GLU H 1 86 LYS HB2 . . 5.490 5.052 4.844 5.218 . 0 0 "[ . 1 . 2]" 1 1873 1 85 GLU H 1 86 LYS QB . . 4.710 4.427 4.322 4.517 . 0 0 "[ . 1 . 2]" 1 1874 1 85 GLU H 1 86 LYS HB3 . . 5.490 4.906 4.663 5.091 . 0 0 "[ . 1 . 2]" 1 1875 1 85 GLU H 1 87 TYR H . . 5.010 4.489 3.877 4.705 . 0 0 "[ . 1 . 2]" 1 1876 1 85 GLU HA 1 85 GLU HG2 . . 3.960 3.134 2.187 3.778 . 0 0 "[ . 1 . 2]" 1 1877 1 85 GLU HA 1 85 GLU HG3 . . 3.960 3.026 2.340 3.743 . 0 0 "[ . 1 . 2]" 1 1878 1 85 GLU HA 1 87 TYR H . . 4.860 4.765 4.297 4.861 0.001 9 0 "[ . 1 . 2]" 1 1879 1 85 GLU HA 1 88 GLU H . . 3.970 3.262 3.015 3.332 . 0 0 "[ . 1 . 2]" 1 1880 1 85 GLU HB2 1 86 LYS H . . 3.680 3.113 2.309 3.682 0.002 17 0 "[ . 1 . 2]" 1 1881 1 85 GLU HB3 1 86 LYS H . . 3.680 2.693 2.166 3.731 0.051 8 0 "[ . 1 . 2]" 1 1882 1 85 GLU QG 1 86 LYS H . . 4.370 3.690 1.792 4.243 . 0 0 "[ . 1 . 2]" 1 1883 1 85 GLU HG2 1 86 LYS H . . 4.960 4.317 1.916 4.954 . 0 0 "[ . 1 . 2]" 1 1884 1 85 GLU HG3 1 86 LYS H . . 4.960 4.055 2.075 4.775 . 0 0 "[ . 1 . 2]" 1 1885 1 86 LYS H 1 86 LYS HB2 . . 3.060 2.421 2.295 2.645 . 0 0 "[ . 1 . 2]" 1 1886 1 86 LYS H 1 86 LYS HB3 . . 3.060 2.667 2.403 2.845 . 0 0 "[ . 1 . 2]" 1 1887 1 86 LYS H 1 86 LYS QD . . 4.880 4.500 4.352 4.691 . 0 0 "[ . 1 . 2]" 1 1888 1 86 LYS H 1 86 LYS HG2 . . 4.770 4.441 4.318 4.522 . 0 0 "[ . 1 . 2]" 1 1889 1 86 LYS H 1 86 LYS QG . . 4.200 3.948 3.885 3.974 . 0 0 "[ . 1 . 2]" 1 1890 1 86 LYS H 1 86 LYS HG3 . . 4.770 4.429 4.275 4.564 . 0 0 "[ . 1 . 2]" 1 1891 1 86 LYS H 1 88 GLU H . . 4.730 3.744 3.659 3.771 . 0 0 "[ . 1 . 2]" 1 1892 1 86 LYS HA 1 86 LYS QD . . 4.650 3.943 3.266 4.239 . 0 0 "[ . 1 . 2]" 1 1893 1 86 LYS HA 1 86 LYS QE . . 4.880 4.522 4.114 4.860 . 0 0 "[ . 1 . 2]" 1 1894 1 86 LYS HA 1 86 LYS HG2 . . 3.890 2.794 2.331 3.523 . 0 0 "[ . 1 . 2]" 1 1895 1 86 LYS HA 1 86 LYS QG . . 3.100 2.458 2.301 2.547 . 0 0 "[ . 1 . 2]" 1 1896 1 86 LYS HA 1 86 LYS HG3 . . 3.890 2.915 2.550 3.584 . 0 0 "[ . 1 . 2]" 1 1897 1 86 LYS HA 1 88 GLU H . . 4.680 4.118 4.042 4.246 . 0 0 "[ . 1 . 2]" 1 1898 1 86 LYS QB 1 86 LYS QD . . 3.170 2.115 2.015 2.207 . 0 0 "[ . 1 . 2]" 1 1899 1 86 LYS QB 1 86 LYS QE . . 4.520 2.998 2.047 3.758 . 0 0 "[ . 1 . 2]" 1 1900 1 86 LYS QB 1 87 TYR H . . 3.270 2.199 2.069 2.734 . 0 0 "[ . 1 . 2]" 1 1901 1 86 LYS QB 1 87 TYR QD . . 3.740 2.691 2.130 2.897 . 0 0 "[ . 1 . 2]" 1 1902 1 86 LYS QB 1 87 TYR QE . . 4.220 3.464 2.805 3.667 . 0 0 "[ . 1 . 2]" 1 1903 1 86 LYS HB2 1 87 TYR H . . 4.030 3.650 3.500 4.041 0.011 15 0 "[ . 1 . 2]" 1 1904 1 86 LYS HB2 1 87 TYR QD . . 4.560 4.386 3.831 4.561 0.001 4 0 "[ . 1 . 2]" 1 1905 1 86 LYS HB3 1 87 TYR H . . 4.030 2.218 2.084 2.780 . 0 0 "[ . 1 . 2]" 1 1906 1 86 LYS HB3 1 87 TYR QD . . 4.560 2.716 2.141 2.930 . 0 0 "[ . 1 . 2]" 1 1907 1 86 LYS QD 1 87 TYR H . . 5.340 3.616 2.532 5.217 . 0 0 "[ . 1 . 2]" 1 1908 1 86 LYS QD 1 87 TYR QD . . 4.590 3.216 2.705 4.478 . 0 0 "[ . 1 . 2]" 1 1909 1 86 LYS QD 1 87 TYR QE . . 3.660 2.690 2.351 3.681 0.021 15 0 "[ . 1 . 2]" 1 1910 1 86 LYS HD2 1 87 TYR QE . . 4.450 3.131 2.382 4.266 . 0 0 "[ . 1 . 2]" 1 1911 1 86 LYS HD3 1 87 TYR QE . . 4.450 3.440 2.448 4.297 . 0 0 "[ . 1 . 2]" 1 1912 1 86 LYS QE 1 86 LYS HG2 . . 3.420 2.740 2.115 3.417 . 0 0 "[ . 1 . 2]" 1 1913 1 86 LYS QE 1 86 LYS HG3 . . 3.420 2.569 2.086 3.256 . 0 0 "[ . 1 . 2]" 1 1914 1 86 LYS QE 1 87 TYR H . . 5.500 4.897 4.526 5.463 . 0 0 "[ . 1 . 2]" 1 1915 1 86 LYS QE 1 87 TYR QD . . 5.500 4.274 3.148 4.921 . 0 0 "[ . 1 . 2]" 1 1916 1 86 LYS QE 1 87 TYR QE . . 4.170 3.405 1.779 3.975 . 0 0 "[ . 1 . 2]" 1 1917 1 86 LYS QG 1 87 TYR H . . 4.110 3.510 3.204 4.078 . 0 0 "[ . 1 . 2]" 1 1918 1 86 LYS QG 1 87 TYR QD . . 5.260 3.976 2.555 4.528 . 0 0 "[ . 1 . 2]" 1 1919 1 86 LYS QG 1 87 TYR QE . . 5.140 4.134 2.710 4.503 . 0 0 "[ . 1 . 2]" 1 1920 1 86 LYS HG2 1 87 TYR H . . 4.760 3.673 3.283 4.466 . 0 0 "[ . 1 . 2]" 1 1921 1 86 LYS HG3 1 87 TYR H . . 4.760 4.561 4.262 4.712 . 0 0 "[ . 1 . 2]" 1 1922 1 87 TYR H 1 87 TYR HB2 . . 3.170 2.467 2.417 2.550 . 0 0 "[ . 1 . 2]" 1 1923 1 87 TYR H 1 87 TYR HB3 . . 3.760 3.615 3.597 3.673 . 0 0 "[ . 1 . 2]" 1 1924 1 87 TYR H 1 88 GLU H . . 3.190 2.411 2.206 2.480 . 0 0 "[ . 1 . 2]" 1 1925 1 87 TYR H 1 88 GLU HA . . 4.880 4.661 4.445 4.732 . 0 0 "[ . 1 . 2]" 1 1926 1 87 TYR H 1 88 GLU HG3 . . 5.000 4.617 4.146 4.880 . 0 0 "[ . 1 . 2]" 1 1927 1 87 TYR H 1 89 ILE H . . 4.640 4.055 3.751 4.159 . 0 0 "[ . 1 . 2]" 1 1928 1 87 TYR H 1 89 ILE MD . . 5.500 5.394 5.207 5.505 0.005 1 0 "[ . 1 . 2]" 1 1929 1 87 TYR H 1 89 ILE HG12 . . 5.140 4.261 4.116 4.374 . 0 0 "[ . 1 . 2]" 1 1930 1 87 TYR H 1 89 ILE HG13 . . 5.500 5.252 4.912 5.393 . 0 0 "[ . 1 . 2]" 1 1931 1 87 TYR HA 1 87 TYR QD . . 3.370 2.961 2.843 3.211 . 0 0 "[ . 1 . 2]" 1 1932 1 87 TYR HA 1 87 TYR QE . . 4.870 4.674 4.621 4.800 . 0 0 "[ . 1 . 2]" 1 1933 1 87 TYR HA 1 88 GLU HG3 . . 4.990 3.878 3.565 4.289 . 0 0 "[ . 1 . 2]" 1 1934 1 87 TYR HA 1 96 LEU MD1 . . 5.340 4.907 4.490 5.136 . 0 0 "[ . 1 . 2]" 1 1935 1 87 TYR HB2 1 88 GLU H . . 3.980 3.281 3.242 3.340 . 0 0 "[ . 1 . 2]" 1 1936 1 87 TYR HB2 1 88 GLU HA . . 5.040 5.041 5.014 5.061 0.021 15 0 "[ . 1 . 2]" 1 1937 1 87 TYR HB2 1 89 ILE H . . 4.410 3.248 2.945 3.415 . 0 0 "[ . 1 . 2]" 1 1938 1 87 TYR HB2 1 89 ILE MD . . 3.930 3.382 3.172 3.546 . 0 0 "[ . 1 . 2]" 1 1939 1 87 TYR HB2 1 89 ILE HG12 . . 4.210 2.134 1.995 2.302 . 0 0 "[ . 1 . 2]" 1 1940 1 87 TYR HB2 1 89 ILE HG13 . . 4.470 3.053 2.674 3.252 . 0 0 "[ . 1 . 2]" 1 1941 1 87 TYR HB2 1 89 ILE MG . . 5.150 4.801 4.703 4.868 . 0 0 "[ . 1 . 2]" 1 1942 1 87 TYR HB2 1 96 LEU MD1 . . 3.800 3.309 3.019 3.796 . 0 0 "[ . 1 . 2]" 1 1943 1 87 TYR HB3 1 88 GLU H . . 5.090 4.138 4.078 4.231 . 0 0 "[ . 1 . 2]" 1 1944 1 87 TYR HB3 1 89 ILE MD . . 3.950 2.924 2.662 3.106 . 0 0 "[ . 1 . 2]" 1 1945 1 87 TYR HB3 1 89 ILE HG12 . . 4.480 2.677 2.255 2.946 . 0 0 "[ . 1 . 2]" 1 1946 1 87 TYR HB3 1 89 ILE MG . . 5.500 5.221 4.853 5.388 . 0 0 "[ . 1 . 2]" 1 1947 1 87 TYR HB3 1 96 LEU MD1 . . 3.430 2.948 2.539 3.230 . 0 0 "[ . 1 . 2]" 1 1948 1 87 TYR HB3 1 96 LEU MD2 . . 4.120 3.877 3.358 4.121 0.001 14 0 "[ . 1 . 2]" 1 1949 1 87 TYR QD 1 89 ILE H . . 5.300 4.908 4.707 5.042 . 0 0 "[ . 1 . 2]" 1 1950 1 87 TYR QD 1 89 ILE MD . . 4.610 4.172 3.374 4.331 . 0 0 "[ . 1 . 2]" 1 1951 1 87 TYR QD 1 89 ILE HG12 . . 5.500 4.071 3.932 4.163 . 0 0 "[ . 1 . 2]" 1 1952 1 87 TYR QD 1 96 LEU MD1 . . 3.780 3.013 2.067 3.212 . 0 0 "[ . 1 . 2]" 1 1953 1 87 TYR QD 1 96 LEU MD2 . . 4.590 3.666 3.139 4.107 . 0 0 "[ . 1 . 2]" 1 1954 1 87 TYR QD 1 98 PHE HZ . . 4.750 3.611 3.095 3.981 . 0 0 "[ . 1 . 2]" 1 1955 1 87 TYR QD 1 103 LYS HB2 . . 5.450 4.691 4.437 5.158 . 0 0 "[ . 1 . 2]" 1 1956 1 87 TYR QD 1 103 LYS HD2 . . 4.480 4.387 4.030 4.479 . 0 0 "[ . 1 . 2]" 1 1957 1 87 TYR QD 1 103 LYS HD3 . . 4.480 3.216 2.868 3.477 . 0 0 "[ . 1 . 2]" 1 1958 1 87 TYR QD 1 103 LYS QE . . 4.480 4.247 3.778 4.467 . 0 0 "[ . 1 . 2]" 1 1959 1 87 TYR QE 1 98 PHE QE . . 3.470 2.147 1.988 2.420 . 0 0 "[ . 1 . 2]" 1 1960 1 87 TYR QE 1 98 PHE HZ . . 4.100 2.821 2.041 3.201 . 0 0 "[ . 1 . 2]" 1 1961 1 87 TYR QE 1 103 LYS HB2 . . 4.220 3.267 2.927 3.784 . 0 0 "[ . 1 . 2]" 1 1962 1 87 TYR QE 1 103 LYS HB3 . . 5.500 4.478 3.967 5.194 . 0 0 "[ . 1 . 2]" 1 1963 1 87 TYR QE 1 103 LYS HD2 . . 5.070 4.821 4.395 5.069 . 0 0 "[ . 1 . 2]" 1 1964 1 87 TYR QE 1 103 LYS HD3 . . 5.070 3.206 2.823 3.538 . 0 0 "[ . 1 . 2]" 1 1965 1 87 TYR QE 1 103 LYS QE . . 5.180 4.470 3.747 5.052 . 0 0 "[ . 1 . 2]" 1 1966 1 88 GLU H 1 88 GLU HA . . 2.770 2.275 2.274 2.277 . 0 0 "[ . 1 . 2]" 1 1967 1 88 GLU H 1 88 GLU HG2 . . 4.120 3.545 3.114 3.851 . 0 0 "[ . 1 . 2]" 1 1968 1 88 GLU H 1 88 GLU HG3 . . 3.400 2.922 2.639 3.225 . 0 0 "[ . 1 . 2]" 1 1969 1 88 GLU H 1 89 ILE H . . 3.390 2.679 2.617 2.743 . 0 0 "[ . 1 . 2]" 1 1970 1 88 GLU H 1 89 ILE HB . . 4.990 4.929 4.856 4.979 . 0 0 "[ . 1 . 2]" 1 1971 1 88 GLU H 1 89 ILE MD . . 5.500 5.129 4.868 5.386 . 0 0 "[ . 1 . 2]" 1 1972 1 88 GLU H 1 89 ILE HG12 . . 4.760 3.977 3.872 4.057 . 0 0 "[ . 1 . 2]" 1 1973 1 88 GLU H 1 89 ILE HG13 . . 5.500 5.438 5.181 5.510 0.010 16 0 "[ . 1 . 2]" 1 1974 1 88 GLU HA 1 88 GLU HG2 . . 3.340 2.619 2.402 2.886 . 0 0 "[ . 1 . 2]" 1 1975 1 88 GLU HA 1 88 GLU HG3 . . 3.620 3.081 2.810 3.386 . 0 0 "[ . 1 . 2]" 1 1976 1 88 GLU HA 1 89 ILE H . . 3.050 2.765 2.690 2.922 . 0 0 "[ . 1 . 2]" 1 1977 1 88 GLU QB 1 89 ILE H . . 4.440 3.868 3.797 3.893 . 0 0 "[ . 1 . 2]" 1 1978 1 89 ILE H 1 89 ILE HB . . 3.070 2.458 2.426 2.517 . 0 0 "[ . 1 . 2]" 1 1979 1 89 ILE H 1 89 ILE MD . . 4.130 3.644 3.449 3.787 . 0 0 "[ . 1 . 2]" 1 1980 1 89 ILE H 1 89 ILE HG12 . . 3.170 2.368 2.209 2.469 . 0 0 "[ . 1 . 2]" 1 1981 1 89 ILE H 1 89 ILE HG13 . . 4.080 3.619 3.285 3.727 . 0 0 "[ . 1 . 2]" 1 1982 1 89 ILE H 1 89 ILE MG . . 4.100 3.760 3.750 3.776 . 0 0 "[ . 1 . 2]" 1 1983 1 89 ILE H 1 90 SER H . . 5.010 4.093 3.995 4.257 . 0 0 "[ . 1 . 2]" 1 1984 1 89 ILE HA 1 89 ILE MD . . 3.220 2.090 1.971 2.422 . 0 0 "[ . 1 . 2]" 1 1985 1 89 ILE HA 1 89 ILE HG12 . . 4.090 2.848 2.691 3.003 . 0 0 "[ . 1 . 2]" 1 1986 1 89 ILE HA 1 89 ILE MG . . 3.350 2.379 2.306 2.476 . 0 0 "[ . 1 . 2]" 1 1987 1 89 ILE HA 1 90 SER H . . 2.300 2.264 2.196 2.306 0.006 12 0 "[ . 1 . 2]" 1 1988 1 89 ILE HA 1 91 SER H . . 4.000 3.591 3.531 3.705 . 0 0 "[ . 1 . 2]" 1 1989 1 89 ILE HA 1 94 THR MG . . 4.650 4.130 3.746 4.358 . 0 0 "[ . 1 . 2]" 1 1990 1 89 ILE HB 1 89 ILE MD . . 3.740 3.216 3.171 3.230 . 0 0 "[ . 1 . 2]" 1 1991 1 89 ILE MD 1 89 ILE MG . . 3.020 1.910 1.833 1.979 . 0 0 "[ . 1 . 2]" 1 1992 1 89 ILE MD 1 90 SER H . . 4.810 3.984 3.846 4.335 . 0 0 "[ . 1 . 2]" 1 1993 1 89 ILE MD 1 94 THR HB . . 3.450 3.369 3.053 3.462 0.012 19 0 "[ . 1 . 2]" 1 1994 1 89 ILE MD 1 94 THR HG1 . . 4.810 3.897 3.215 4.638 . 0 0 "[ . 1 . 2]" 1 1995 1 89 ILE MD 1 94 THR MG . . 3.020 1.896 1.739 2.154 . 0 0 "[ . 1 . 2]" 1 1996 1 89 ILE MD 1 96 LEU MD1 . . 3.370 1.997 1.806 2.306 . 0 0 "[ . 1 . 2]" 1 1997 1 89 ILE MD 1 96 LEU MD2 . . 3.500 2.664 2.328 2.954 . 0 0 "[ . 1 . 2]" 1 1998 1 89 ILE MD 1 96 LEU HG . . 3.790 2.963 2.762 3.139 . 0 0 "[ . 1 . 2]" 1 1999 1 89 ILE MD 1 106 ARG HG3 . . 5.080 4.139 3.629 4.597 . 0 0 "[ . 1 . 2]" 1 2000 1 89 ILE HG13 1 94 THR MG . . 4.870 3.753 3.357 4.303 . 0 0 "[ . 1 . 2]" 1 2001 1 89 ILE MG 1 90 SER H . . 4.160 3.371 3.091 3.555 . 0 0 "[ . 1 . 2]" 1 2002 1 89 ILE MG 1 90 SER HA . . 4.830 3.836 3.691 3.972 . 0 0 "[ . 1 . 2]" 1 2003 1 89 ILE MG 1 91 SER H . . 3.540 2.331 2.120 2.520 . 0 0 "[ . 1 . 2]" 1 2004 1 89 ILE MG 1 94 THR HA . . 5.500 4.964 4.544 5.171 . 0 0 "[ . 1 . 2]" 1 2005 1 89 ILE MG 1 94 THR HB . . 3.290 2.668 2.460 3.034 . 0 0 "[ . 1 . 2]" 1 2006 1 89 ILE MG 1 94 THR HG1 . . 3.870 2.982 1.910 3.639 . 0 0 "[ . 1 . 2]" 1 2007 1 89 ILE MG 1 94 THR MG . . 3.780 2.470 2.071 2.699 . 0 0 "[ . 1 . 2]" 1 2008 1 90 SER H 1 91 SER H . . 3.000 2.921 2.756 2.997 . 0 0 "[ . 1 . 2]" 1 2009 1 90 SER HA 1 91 SER H . . 2.800 2.798 2.761 2.813 0.013 5 0 "[ . 1 . 2]" 1 2010 1 91 SER H 1 91 SER QB . . 3.610 3.029 2.775 3.341 . 0 0 "[ . 1 . 2]" 1 2011 1 91 SER H 1 92 VAL MG1 . . 4.530 3.458 3.210 3.736 . 0 0 "[ . 1 . 2]" 1 2012 1 91 SER H 1 92 VAL MG2 . . 5.500 4.735 4.245 5.006 . 0 0 "[ . 1 . 2]" 1 2013 1 91 SER H 1 94 THR HG1 . . 4.280 3.783 3.481 4.146 . 0 0 "[ . 1 . 2]" 1 2014 1 91 SER QB 1 92 VAL H . . 3.240 3.035 2.861 3.302 0.062 10 0 "[ . 1 . 2]" 1 2015 1 91 SER QB 1 92 VAL MG2 . . 4.960 4.635 4.498 4.839 . 0 0 "[ . 1 . 2]" 1 2016 1 92 VAL H 1 92 VAL MG1 . . 3.950 3.182 2.938 3.371 . 0 0 "[ . 1 . 2]" 1 2017 1 92 VAL H 1 92 VAL MG2 . . 2.940 2.238 1.917 2.505 . 0 0 "[ . 1 . 2]" 1 2018 1 92 VAL H 1 93 PRO HA . . 4.860 4.780 4.777 4.784 . 0 0 "[ . 1 . 2]" 1 2019 1 92 VAL HA 1 92 VAL MG1 . . 3.300 2.224 2.075 2.410 . 0 0 "[ . 1 . 2]" 1 2020 1 92 VAL HA 1 94 THR H . . 3.960 3.230 3.138 3.293 . 0 0 "[ . 1 . 2]" 1 2021 1 92 VAL HA 1 94 THR HB . . 5.250 3.421 3.134 4.539 . 0 0 "[ . 1 . 2]" 1 2022 1 92 VAL HA 1 94 THR HG1 . . 4.470 2.738 1.997 3.365 . 0 0 "[ . 1 . 2]" 1 2023 1 92 VAL HB 1 93 PRO HA . . 3.140 1.990 1.976 2.003 . 0 0 "[ . 1 . 2]" 1 2024 1 92 VAL HB 1 93 PRO HB3 . . 5.000 3.807 3.747 3.861 . 0 0 "[ . 1 . 2]" 1 2025 1 92 VAL HB 1 94 THR H . . 4.370 3.947 3.787 4.057 . 0 0 "[ . 1 . 2]" 1 2026 1 92 VAL MG1 1 93 PRO HA . . 3.510 3.027 2.698 3.233 . 0 0 "[ . 1 . 2]" 1 2027 1 92 VAL MG1 1 94 THR H . . 4.380 3.554 3.069 3.927 . 0 0 "[ . 1 . 2]" 1 2028 1 92 VAL MG2 1 93 PRO HA . . 3.830 3.591 3.465 3.687 . 0 0 "[ . 1 . 2]" 1 2029 1 92 VAL MG2 1 93 PRO HB3 . . 5.500 4.817 4.600 5.009 . 0 0 "[ . 1 . 2]" 1 2030 1 92 VAL MG2 1 93 PRO QD . . 4.360 3.765 3.567 3.973 . 0 0 "[ . 1 . 2]" 1 2031 1 92 VAL MG2 1 94 THR H . . 5.500 5.242 5.140 5.289 . 0 0 "[ . 1 . 2]" 1 2032 1 93 PRO HA 1 94 THR H . . 3.110 2.353 2.319 2.369 . 0 0 "[ . 1 . 2]" 1 2033 1 93 PRO HB2 1 94 THR H . . 4.310 2.734 2.693 2.827 . 0 0 "[ . 1 . 2]" 1 2034 1 93 PRO HB2 1 95 PHE QE . . 3.930 3.150 2.571 3.404 . 0 0 "[ . 1 . 2]" 1 2035 1 93 PRO HB2 1 95 PHE HZ . . 4.580 3.900 3.732 4.062 . 0 0 "[ . 1 . 2]" 1 2036 1 93 PRO HB2 1 110 ALA HA . . 5.080 3.687 3.361 4.129 . 0 0 "[ . 1 . 2]" 1 2037 1 93 PRO HB3 1 94 THR H . . 4.630 3.516 3.494 3.567 . 0 0 "[ . 1 . 2]" 1 2038 1 93 PRO HB3 1 95 PHE QE . . 4.760 4.546 3.983 4.762 0.002 3 0 "[ . 1 . 2]" 1 2039 1 93 PRO HB3 1 95 PHE HZ . . 4.960 4.759 4.427 4.970 0.010 14 0 "[ . 1 . 2]" 1 2040 1 93 PRO QD 1 110 ALA H . . 4.610 2.913 2.527 3.416 . 0 0 "[ . 1 . 2]" 1 2041 1 93 PRO QD 1 110 ALA HA . . 4.820 3.859 3.526 4.421 . 0 0 "[ . 1 . 2]" 1 2042 1 93 PRO QD 1 110 ALA MB . . 3.570 2.508 2.199 2.924 . 0 0 "[ . 1 . 2]" 1 2043 1 93 PRO HD2 1 110 ALA HA . . 5.500 4.117 3.738 4.705 . 0 0 "[ . 1 . 2]" 1 2044 1 93 PRO HD2 1 110 ALA MB . . 4.300 2.706 2.372 3.214 . 0 0 "[ . 1 . 2]" 1 2045 1 93 PRO HD3 1 110 ALA HA . . 5.500 4.673 4.138 5.371 . 0 0 "[ . 1 . 2]" 1 2046 1 93 PRO HD3 1 110 ALA MB . . 4.300 2.991 2.548 3.424 . 0 0 "[ . 1 . 2]" 1 2047 1 93 PRO HG2 1 95 PHE QE . . 4.650 3.746 3.312 4.048 . 0 0 "[ . 1 . 2]" 1 2048 1 93 PRO HG2 1 95 PHE HZ . . 5.380 5.159 4.598 5.388 0.008 16 0 "[ . 1 . 2]" 1 2049 1 93 PRO HG2 1 109 GLY H . . 4.380 3.899 3.025 4.360 . 0 0 "[ . 1 . 2]" 1 2050 1 93 PRO HG2 1 109 GLY QA . . 4.090 3.431 2.970 3.841 . 0 0 "[ . 1 . 2]" 1 2051 1 93 PRO HG2 1 110 ALA HA . . 3.810 2.343 2.003 2.788 . 0 0 "[ . 1 . 2]" 1 2052 1 93 PRO HG2 1 110 ALA MB . . 3.320 2.531 2.118 3.083 . 0 0 "[ . 1 . 2]" 1 2053 1 93 PRO HG3 1 94 THR H . . 5.500 5.175 5.146 5.240 . 0 0 "[ . 1 . 2]" 1 2054 1 93 PRO HG3 1 95 PHE QE . . 5.060 4.385 4.042 4.746 . 0 0 "[ . 1 . 2]" 1 2055 1 93 PRO HG3 1 95 PHE HZ . . 5.500 4.997 4.636 5.323 . 0 0 "[ . 1 . 2]" 1 2056 1 93 PRO HG3 1 110 ALA HA . . 4.290 2.701 2.025 3.381 . 0 0 "[ . 1 . 2]" 1 2057 1 93 PRO HG3 1 110 ALA MB . . 3.910 1.976 1.847 2.358 . 0 0 "[ . 1 . 2]" 1 2058 1 94 THR H 1 94 THR HB . . 3.780 2.961 2.869 3.042 . 0 0 "[ . 1 . 2]" 1 2059 1 94 THR H 1 94 THR HG1 . . 4.380 4.049 3.515 4.431 0.051 14 0 "[ . 1 . 2]" 1 2060 1 94 THR H 1 94 THR MG . . 4.480 3.913 3.836 3.966 . 0 0 "[ . 1 . 2]" 1 2061 1 94 THR H 1 95 PHE H . . 4.830 4.056 3.882 4.449 . 0 0 "[ . 1 . 2]" 1 2062 1 94 THR H 1 95 PHE QD . . 5.500 4.544 4.158 4.882 . 0 0 "[ . 1 . 2]" 1 2063 1 94 THR HA 1 94 THR MG . . 3.350 2.407 2.042 2.538 . 0 0 "[ . 1 . 2]" 1 2064 1 94 THR HA 1 95 PHE H . . 3.060 2.164 2.141 2.327 . 0 0 "[ . 1 . 2]" 1 2065 1 94 THR HA 1 95 PHE HB2 . . 5.500 4.652 4.355 4.743 . 0 0 "[ . 1 . 2]" 1 2066 1 94 THR HA 1 95 PHE QD . . 4.840 3.407 3.200 3.794 . 0 0 "[ . 1 . 2]" 1 2067 1 94 THR HA 1 108 ASP HA . . 3.600 2.948 2.455 3.468 . 0 0 "[ . 1 . 2]" 1 2068 1 94 THR HA 1 109 GLY H . . 3.660 3.279 2.880 3.610 . 0 0 "[ . 1 . 2]" 1 2069 1 94 THR HB 1 95 PHE H . . 4.960 4.240 3.385 4.429 . 0 0 "[ . 1 . 2]" 1 2070 1 94 THR HB 1 96 LEU MD1 . . 5.130 5.025 4.316 5.154 0.024 14 0 "[ . 1 . 2]" 1 2071 1 94 THR MG 1 95 PHE H . . 3.340 2.632 2.142 2.893 . 0 0 "[ . 1 . 2]" 1 2072 1 94 THR MG 1 95 PHE HA . . 4.750 3.767 3.538 4.066 . 0 0 "[ . 1 . 2]" 1 2073 1 94 THR MG 1 95 PHE HB2 . . 5.500 4.581 4.405 4.725 . 0 0 "[ . 1 . 2]" 1 2074 1 94 THR MG 1 95 PHE HB3 . . 5.500 5.241 5.054 5.380 . 0 0 "[ . 1 . 2]" 1 2075 1 94 THR MG 1 96 LEU H . . 4.780 4.456 4.177 4.695 . 0 0 "[ . 1 . 2]" 1 2076 1 94 THR MG 1 96 LEU HB2 . . 4.690 4.502 4.256 4.664 . 0 0 "[ . 1 . 2]" 1 2077 1 94 THR MG 1 96 LEU MD1 . . 4.400 3.287 3.075 3.473 . 0 0 "[ . 1 . 2]" 1 2078 1 94 THR MG 1 96 LEU MD2 . . 3.570 3.279 2.966 3.566 . 0 0 "[ . 1 . 2]" 1 2079 1 94 THR MG 1 96 LEU HG . . 3.920 2.659 2.507 2.854 . 0 0 "[ . 1 . 2]" 1 2080 1 94 THR MG 1 106 ARG HA . . 5.500 5.110 4.624 5.444 . 0 0 "[ . 1 . 2]" 1 2081 1 94 THR MG 1 106 ARG QB . . 4.950 4.755 4.416 4.953 0.003 4 0 "[ . 1 . 2]" 1 2082 1 94 THR MG 1 106 ARG HD2 . . 4.990 4.689 4.209 4.973 . 0 0 "[ . 1 . 2]" 1 2083 1 94 THR MG 1 106 ARG QD . . 4.340 4.085 2.842 4.351 0.011 14 0 "[ . 1 . 2]" 1 2084 1 94 THR MG 1 106 ARG HD3 . . 4.990 4.549 2.890 4.929 . 0 0 "[ . 1 . 2]" 1 2085 1 94 THR MG 1 106 ARG HE . . 4.550 2.776 2.192 4.556 0.006 19 0 "[ . 1 . 2]" 1 2086 1 94 THR MG 1 106 ARG HG3 . . 3.580 3.301 3.079 3.584 0.004 11 0 "[ . 1 . 2]" 1 2087 1 94 THR MG 1 106 ARG QH1 . . 5.500 4.617 3.113 5.263 . 0 0 "[ . 1 . 2]" 1 2088 1 94 THR MG 1 106 ARG QH2 . . 5.500 2.767 1.999 5.498 . 0 0 "[ . 1 . 2]" 1 2089 1 94 THR MG 1 107 LEU H . . 4.890 4.121 3.724 4.718 . 0 0 "[ . 1 . 2]" 1 2090 1 94 THR MG 1 108 ASP HA . . 3.730 3.299 2.815 3.618 . 0 0 "[ . 1 . 2]" 1 2091 1 94 THR MG 1 109 GLY H . . 4.920 4.469 4.135 4.807 . 0 0 "[ . 1 . 2]" 1 2092 1 95 PHE H 1 95 PHE HB2 . . 3.660 2.611 2.520 2.763 . 0 0 "[ . 1 . 2]" 1 2093 1 95 PHE H 1 95 PHE HB3 . . 4.180 3.714 3.668 3.848 . 0 0 "[ . 1 . 2]" 1 2094 1 95 PHE H 1 95 PHE QD . . 3.470 2.346 2.039 3.470 0.000 3 0 "[ . 1 . 2]" 1 2095 1 95 PHE H 1 96 LEU H . . 5.070 4.475 3.992 4.570 . 0 0 "[ . 1 . 2]" 1 2096 1 95 PHE H 1 106 ARG HG3 . . 5.290 4.686 3.558 5.316 0.026 19 0 "[ . 1 . 2]" 1 2097 1 95 PHE H 1 107 LEU H . . 3.720 3.431 3.111 3.689 . 0 0 "[ . 1 . 2]" 1 2098 1 95 PHE H 1 107 LEU HB3 . . 4.390 3.314 2.795 4.352 . 0 0 "[ . 1 . 2]" 1 2099 1 95 PHE H 1 108 ASP HA . . 4.430 3.718 3.382 4.197 . 0 0 "[ . 1 . 2]" 1 2100 1 95 PHE H 1 109 GLY H . . 4.970 4.726 4.475 4.912 . 0 0 "[ . 1 . 2]" 1 2101 1 95 PHE HA 1 95 PHE QD . . 3.690 3.037 2.610 3.144 . 0 0 "[ . 1 . 2]" 1 2102 1 95 PHE HA 1 96 LEU H . . 2.970 2.233 2.149 2.323 . 0 0 "[ . 1 . 2]" 1 2103 1 95 PHE HB2 1 96 LEU H . . 4.660 3.926 3.683 4.438 . 0 0 "[ . 1 . 2]" 1 2104 1 95 PHE HB2 1 97 PHE HZ . . 4.910 4.242 3.969 4.766 . 0 0 "[ . 1 . 2]" 1 2105 1 95 PHE HB2 1 107 LEU H . . 3.880 2.861 2.200 3.210 . 0 0 "[ . 1 . 2]" 1 2106 1 95 PHE HB2 1 107 LEU HA . . 5.500 4.671 4.008 4.897 . 0 0 "[ . 1 . 2]" 1 2107 1 95 PHE HB2 1 107 LEU HB2 . . 4.000 3.014 2.776 3.277 . 0 0 "[ . 1 . 2]" 1 2108 1 95 PHE HB2 1 107 LEU HB3 . . 3.600 2.278 1.998 2.459 . 0 0 "[ . 1 . 2]" 1 2109 1 95 PHE HB2 1 107 LEU MD1 . . 4.200 3.656 3.252 3.837 . 0 0 "[ . 1 . 2]" 1 2110 1 95 PHE HB2 1 107 LEU MD2 . . 4.880 4.137 3.745 4.342 . 0 0 "[ . 1 . 2]" 1 2111 1 95 PHE HB2 1 107 LEU HG . . 5.390 5.099 4.859 5.327 . 0 0 "[ . 1 . 2]" 1 2112 1 95 PHE HB2 1 115 LEU MD1 . . 4.370 3.234 2.955 3.787 . 0 0 "[ . 1 . 2]" 1 2113 1 95 PHE HB3 1 96 LEU H . . 4.080 2.975 2.650 3.674 . 0 0 "[ . 1 . 2]" 1 2114 1 95 PHE HB3 1 97 PHE QE . . 5.170 3.913 2.904 4.277 . 0 0 "[ . 1 . 2]" 1 2115 1 95 PHE HB3 1 97 PHE HZ . . 5.080 4.272 3.447 4.517 . 0 0 "[ . 1 . 2]" 1 2116 1 95 PHE HB3 1 107 LEU H . . 4.480 4.155 3.003 4.484 0.004 5 0 "[ . 1 . 2]" 1 2117 1 95 PHE HB3 1 107 LEU HB2 . . 4.730 4.355 3.454 4.732 0.002 7 0 "[ . 1 . 2]" 1 2118 1 95 PHE HB3 1 107 LEU HB3 . . 4.120 3.909 3.134 4.124 0.004 6 0 "[ . 1 . 2]" 1 2119 1 95 PHE HB3 1 115 LEU MD1 . . 4.180 3.132 2.981 3.356 . 0 0 "[ . 1 . 2]" 1 2120 1 95 PHE QD 1 96 LEU H . . 5.500 4.186 4.049 4.384 . 0 0 "[ . 1 . 2]" 1 2121 1 95 PHE QD 1 107 LEU HB3 . . 3.770 2.332 1.999 2.553 . 0 0 "[ . 1 . 2]" 1 2122 1 95 PHE QD 1 107 LEU MD1 . . 4.090 3.392 3.013 3.692 . 0 0 "[ . 1 . 2]" 1 2123 1 95 PHE QD 1 115 LEU MD1 . . 3.280 2.566 2.441 2.762 . 0 0 "[ . 1 . 2]" 1 2124 1 95 PHE QD 1 115 LEU MD2 . . 5.500 3.511 3.315 3.843 . 0 0 "[ . 1 . 2]" 1 2125 1 95 PHE QE 1 109 GLY H . . 5.500 5.131 4.522 5.491 . 0 0 "[ . 1 . 2]" 1 2126 1 95 PHE QE 1 110 ALA HA . . 4.380 3.133 2.560 3.661 . 0 0 "[ . 1 . 2]" 1 2127 1 95 PHE QE 1 115 LEU MD1 . . 3.730 2.752 2.426 3.043 . 0 0 "[ . 1 . 2]" 1 2128 1 95 PHE QE 1 115 LEU MD2 . . 4.020 2.364 2.063 2.687 . 0 0 "[ . 1 . 2]" 1 2129 1 95 PHE HZ 1 111 HIS H . . 5.500 4.505 4.054 4.973 . 0 0 "[ . 1 . 2]" 1 2130 1 95 PHE HZ 1 115 LEU MD2 . . 4.370 2.670 2.258 3.016 . 0 0 "[ . 1 . 2]" 1 2131 1 96 LEU H 1 96 LEU HB2 . . 3.730 2.572 2.446 2.730 . 0 0 "[ . 1 . 2]" 1 2132 1 96 LEU H 1 96 LEU MD1 . . 4.910 4.243 3.942 4.442 . 0 0 "[ . 1 . 2]" 1 2133 1 96 LEU H 1 96 LEU MD2 . . 4.920 4.132 3.886 4.284 . 0 0 "[ . 1 . 2]" 1 2134 1 96 LEU H 1 96 LEU HG . . 4.560 3.497 3.105 3.753 . 0 0 "[ . 1 . 2]" 1 2135 1 96 LEU H 1 97 PHE H . . 4.480 4.036 3.904 4.163 . 0 0 "[ . 1 . 2]" 1 2136 1 96 LEU H 1 107 LEU H . . 5.310 4.898 4.723 5.083 . 0 0 "[ . 1 . 2]" 1 2137 1 96 LEU HA 1 96 LEU MD1 . . 4.540 3.833 3.801 3.874 . 0 0 "[ . 1 . 2]" 1 2138 1 96 LEU HA 1 96 LEU MD2 . . 3.090 2.056 1.950 2.223 . 0 0 "[ . 1 . 2]" 1 2139 1 96 LEU HA 1 97 PHE H . . 2.920 2.157 2.142 2.166 . 0 0 "[ . 1 . 2]" 1 2140 1 96 LEU HA 1 97 PHE HB2 . . 5.200 4.641 4.574 4.699 . 0 0 "[ . 1 . 2]" 1 2141 1 96 LEU HA 1 97 PHE QD . . 3.900 3.595 3.332 3.854 . 0 0 "[ . 1 . 2]" 1 2142 1 96 LEU HA 1 106 ARG HA . . 3.510 2.735 2.508 2.947 . 0 0 "[ . 1 . 2]" 1 2143 1 96 LEU HA 1 106 ARG QB . . 4.510 3.267 2.885 3.673 . 0 0 "[ . 1 . 2]" 1 2144 1 96 LEU HA 1 107 LEU H . . 4.330 3.706 3.449 3.976 . 0 0 "[ . 1 . 2]" 1 2145 1 96 LEU HB2 1 96 LEU MD1 . . 3.480 2.245 2.129 2.439 . 0 0 "[ . 1 . 2]" 1 2146 1 96 LEU HB2 1 97 PHE H . . 4.650 4.489 4.436 4.533 . 0 0 "[ . 1 . 2]" 1 2147 1 96 LEU HB2 1 98 PHE QD . . 5.120 4.133 3.698 4.613 . 0 0 "[ . 1 . 2]" 1 2148 1 96 LEU HB2 1 98 PHE QE . . 3.670 2.621 2.188 3.220 . 0 0 "[ . 1 . 2]" 1 2149 1 96 LEU HB2 1 98 PHE HZ . . 5.020 3.791 3.356 4.226 . 0 0 "[ . 1 . 2]" 1 2150 1 96 LEU HB3 1 96 LEU MD1 . . 3.390 2.410 2.230 2.531 . 0 0 "[ . 1 . 2]" 1 2151 1 96 LEU HB3 1 97 PHE H . . 3.770 3.720 3.608 3.766 . 0 0 "[ . 1 . 2]" 1 2152 1 96 LEU HB3 1 97 PHE HA . . 5.100 4.831 4.759 4.898 . 0 0 "[ . 1 . 2]" 1 2153 1 96 LEU HB3 1 98 PHE QD . . 5.080 3.752 3.526 4.102 . 0 0 "[ . 1 . 2]" 1 2154 1 96 LEU HB3 1 98 PHE QE . . 3.850 2.570 2.189 3.110 . 0 0 "[ . 1 . 2]" 1 2155 1 96 LEU HB3 1 98 PHE HZ . . 4.430 2.895 2.445 3.343 . 0 0 "[ . 1 . 2]" 1 2156 1 96 LEU HB3 1 106 ARG HA . . 5.500 5.143 4.787 5.396 . 0 0 "[ . 1 . 2]" 1 2157 1 96 LEU HB3 1 106 ARG QB . . 5.300 4.738 4.178 5.011 . 0 0 "[ . 1 . 2]" 1 2158 1 96 LEU MD1 1 97 PHE H . . 5.500 5.295 5.181 5.403 . 0 0 "[ . 1 . 2]" 1 2159 1 96 LEU MD1 1 98 PHE QE . . 4.400 2.783 2.380 3.086 . 0 0 "[ . 1 . 2]" 1 2160 1 96 LEU MD1 1 98 PHE HZ . . 3.580 2.285 1.956 2.645 . 0 0 "[ . 1 . 2]" 1 2161 1 96 LEU MD1 1 103 LYS HB2 . . 5.160 5.013 4.741 5.178 0.018 17 0 "[ . 1 . 2]" 1 2162 1 96 LEU MD1 1 103 LYS HD2 . . 4.270 3.898 3.610 4.182 . 0 0 "[ . 1 . 2]" 1 2163 1 96 LEU MD1 1 103 LYS HD3 . . 4.270 3.726 3.182 4.163 . 0 0 "[ . 1 . 2]" 1 2164 1 96 LEU MD1 1 103 LYS QE . . 5.500 5.031 4.564 5.311 . 0 0 "[ . 1 . 2]" 1 2165 1 96 LEU MD1 1 106 ARG QD . . 5.340 4.949 4.558 5.416 0.076 14 0 "[ . 1 . 2]" 1 2166 1 96 LEU MD2 1 97 PHE H . . 4.000 3.486 3.222 3.773 . 0 0 "[ . 1 . 2]" 1 2167 1 96 LEU MD2 1 98 PHE QE . . 4.220 3.808 3.442 4.230 0.010 14 0 "[ . 1 . 2]" 1 2168 1 96 LEU MD2 1 98 PHE HZ . . 4.660 3.550 3.054 4.173 . 0 0 "[ . 1 . 2]" 1 2169 1 96 LEU MD2 1 103 LYS HD2 . . 3.920 2.000 1.895 2.169 . 0 0 "[ . 1 . 2]" 1 2170 1 96 LEU MD2 1 103 LYS QD . . 3.140 1.936 1.821 2.066 . 0 0 "[ . 1 . 2]" 1 2171 1 96 LEU MD2 1 103 LYS HD3 . . 3.920 2.682 2.046 3.028 . 0 0 "[ . 1 . 2]" 1 2172 1 96 LEU MD2 1 103 LYS QE . . 3.890 3.680 3.347 3.871 . 0 0 "[ . 1 . 2]" 1 2173 1 96 LEU MD2 1 106 ARG HA . . 3.610 3.152 2.776 3.578 . 0 0 "[ . 1 . 2]" 1 2174 1 96 LEU MD2 1 106 ARG QB . . 3.810 2.255 1.846 2.483 . 0 0 "[ . 1 . 2]" 1 2175 1 96 LEU MD2 1 106 ARG HD2 . . 4.210 3.094 2.556 4.095 . 0 0 "[ . 1 . 2]" 1 2176 1 96 LEU MD2 1 106 ARG QD . . 3.600 2.966 2.517 3.607 0.007 18 0 "[ . 1 . 2]" 1 2177 1 96 LEU MD2 1 106 ARG HD3 . . 4.210 4.012 3.753 4.201 . 0 0 "[ . 1 . 2]" 1 2178 1 96 LEU MD2 1 106 ARG HE . . 5.100 3.003 2.482 4.550 . 0 0 "[ . 1 . 2]" 1 2179 1 96 LEU MD2 1 106 ARG QH1 . . 5.180 4.363 2.873 5.184 0.004 19 0 "[ . 1 . 2]" 1 2180 1 96 LEU MD2 1 106 ARG QH2 . . 5.500 4.126 3.247 5.018 . 0 0 "[ . 1 . 2]" 1 2181 1 96 LEU MD2 1 107 LEU H . . 4.240 3.957 3.427 4.245 0.005 3 0 "[ . 1 . 2]" 1 2182 1 97 PHE H 1 97 PHE HB2 . . 3.400 2.506 2.436 2.568 . 0 0 "[ . 1 . 2]" 1 2183 1 97 PHE H 1 97 PHE HB3 . . 3.840 3.619 3.605 3.638 . 0 0 "[ . 1 . 2]" 1 2184 1 97 PHE H 1 97 PHE QD . . 3.280 2.119 1.903 2.343 . 0 0 "[ . 1 . 2]" 1 2185 1 97 PHE H 1 103 LYS HG2 . . 4.900 4.780 4.635 4.902 0.002 11 0 "[ . 1 . 2]" 1 2186 1 97 PHE H 1 103 LYS QG . . 4.300 3.705 3.591 3.908 . 0 0 "[ . 1 . 2]" 1 2187 1 97 PHE H 1 103 LYS HG3 . . 4.900 3.860 3.718 4.106 . 0 0 "[ . 1 . 2]" 1 2188 1 97 PHE H 1 104 ILE HG13 . . 5.500 5.276 5.023 5.486 . 0 0 "[ . 1 . 2]" 1 2189 1 97 PHE H 1 105 ASP H . . 4.040 3.882 3.691 4.041 0.001 17 0 "[ . 1 . 2]" 1 2190 1 97 PHE H 1 105 ASP HB3 . . 5.270 4.002 3.656 4.302 . 0 0 "[ . 1 . 2]" 1 2191 1 97 PHE H 1 106 ARG HA . . 4.510 2.760 2.551 3.029 . 0 0 "[ . 1 . 2]" 1 2192 1 97 PHE HA 1 97 PHE QD . . 4.270 3.012 2.871 3.144 . 0 0 "[ . 1 . 2]" 1 2193 1 97 PHE HA 1 98 PHE H . . 2.940 2.145 2.139 2.173 . 0 0 "[ . 1 . 2]" 1 2194 1 97 PHE HA 1 98 PHE QD . . 4.630 4.238 3.913 4.604 . 0 0 "[ . 1 . 2]" 1 2195 1 97 PHE HA 1 105 ASP HB3 . . 5.500 5.128 4.796 5.506 0.006 19 0 "[ . 1 . 2]" 1 2196 1 97 PHE HB2 1 98 PHE H . . 5.150 4.262 4.170 4.443 . 0 0 "[ . 1 . 2]" 1 2197 1 97 PHE HB2 1 104 ILE H . . 4.610 3.605 3.292 3.944 . 0 0 "[ . 1 . 2]" 1 2198 1 97 PHE HB2 1 104 ILE MD . . 4.180 3.930 3.557 4.161 . 0 0 "[ . 1 . 2]" 1 2199 1 97 PHE HB2 1 104 ILE HG12 . . 4.310 3.695 3.274 4.071 . 0 0 "[ . 1 . 2]" 1 2200 1 97 PHE HB2 1 104 ILE HG13 . . 4.070 2.994 2.638 3.200 . 0 0 "[ . 1 . 2]" 1 2201 1 97 PHE HB2 1 105 ASP H . . 3.430 2.470 2.230 2.792 . 0 0 "[ . 1 . 2]" 1 2202 1 97 PHE HB2 1 105 ASP HB3 . . 3.900 2.326 2.003 2.867 . 0 0 "[ . 1 . 2]" 1 2203 1 97 PHE HB3 1 98 PHE H . . 4.220 3.460 3.307 3.799 . 0 0 "[ . 1 . 2]" 1 2204 1 97 PHE HB3 1 104 ILE H . . 5.010 4.406 4.276 4.714 . 0 0 "[ . 1 . 2]" 1 2205 1 97 PHE HB3 1 104 ILE MD . . 4.000 3.477 2.981 3.757 . 0 0 "[ . 1 . 2]" 1 2206 1 97 PHE HB3 1 104 ILE HG12 . . 4.090 3.632 3.261 3.889 . 0 0 "[ . 1 . 2]" 1 2207 1 97 PHE HB3 1 104 ILE HG13 . . 4.130 3.437 3.156 3.930 . 0 0 "[ . 1 . 2]" 1 2208 1 97 PHE HB3 1 104 ILE MG . . 5.500 5.303 4.980 5.499 . 0 0 "[ . 1 . 2]" 1 2209 1 97 PHE HB3 1 105 ASP H . . 4.180 3.819 3.542 4.185 0.005 14 0 "[ . 1 . 2]" 1 2210 1 97 PHE HB3 1 105 ASP HB3 . . 4.340 3.444 3.027 3.944 . 0 0 "[ . 1 . 2]" 1 2211 1 97 PHE HB3 1 122 HIS HD2 . . 4.980 3.980 3.501 4.526 . 0 0 "[ . 1 . 2]" 1 2212 1 97 PHE QD 1 98 PHE H . . 5.050 4.429 4.143 4.684 . 0 0 "[ . 1 . 2]" 1 2213 1 97 PHE QD 1 104 ILE MD . . 4.760 4.559 4.155 4.764 0.004 12 0 "[ . 1 . 2]" 1 2214 1 97 PHE QD 1 104 ILE HG13 . . 5.200 4.669 4.397 4.833 . 0 0 "[ . 1 . 2]" 1 2215 1 97 PHE QD 1 105 ASP H . . 4.410 3.966 3.599 4.339 . 0 0 "[ . 1 . 2]" 1 2216 1 97 PHE QD 1 105 ASP HB2 . . 4.630 4.112 3.175 4.608 . 0 0 "[ . 1 . 2]" 1 2217 1 97 PHE QD 1 105 ASP HB3 . . 3.840 2.565 2.168 3.140 . 0 0 "[ . 1 . 2]" 1 2218 1 97 PHE QD 1 106 ARG H . . 4.460 3.347 2.991 4.038 . 0 0 "[ . 1 . 2]" 1 2219 1 97 PHE QD 1 106 ARG HA . . 3.700 2.319 2.022 2.642 . 0 0 "[ . 1 . 2]" 1 2220 1 97 PHE QD 1 107 LEU H . . 4.970 3.661 3.445 3.894 . 0 0 "[ . 1 . 2]" 1 2221 1 97 PHE QD 1 119 VAL HA . . 5.100 3.800 3.416 4.263 . 0 0 "[ . 1 . 2]" 1 2222 1 97 PHE QD 1 119 VAL MG2 . . 4.470 4.237 4.062 4.445 . 0 0 "[ . 1 . 2]" 1 2223 1 97 PHE QD 1 122 HIS HB2 . . 4.860 3.626 3.256 3.930 . 0 0 "[ . 1 . 2]" 1 2224 1 97 PHE QD 1 122 HIS HB3 . . 4.850 4.218 3.778 4.852 0.002 8 0 "[ . 1 . 2]" 1 2225 1 97 PHE QD 1 122 HIS HD2 . . 4.280 2.986 2.515 3.356 . 0 0 "[ . 1 . 2]" 1 2226 1 97 PHE QE 1 106 ARG HA . . 4.790 3.352 3.027 3.924 . 0 0 "[ . 1 . 2]" 1 2227 1 97 PHE QE 1 107 LEU H . . 3.800 3.093 2.705 3.524 . 0 0 "[ . 1 . 2]" 1 2228 1 97 PHE QE 1 107 LEU HB2 . . 3.540 2.092 1.998 2.279 . 0 0 "[ . 1 . 2]" 1 2229 1 97 PHE QE 1 107 LEU HB3 . . 4.680 3.485 2.975 3.792 . 0 0 "[ . 1 . 2]" 1 2230 1 97 PHE QE 1 107 LEU MD1 . . 3.870 3.332 2.870 3.763 . 0 0 "[ . 1 . 2]" 1 2231 1 97 PHE QE 1 107 LEU HG . . 4.400 4.225 4.000 4.403 0.003 14 0 "[ . 1 . 2]" 1 2232 1 97 PHE QE 1 118 LYS HA . . 5.500 4.964 4.788 5.186 . 0 0 "[ . 1 . 2]" 1 2233 1 97 PHE QE 1 118 LYS HB3 . . 4.490 3.055 2.833 3.279 . 0 0 "[ . 1 . 2]" 1 2234 1 97 PHE QE 1 118 LYS HD2 . . 4.570 3.431 2.695 4.021 . 0 0 "[ . 1 . 2]" 1 2235 1 97 PHE QE 1 118 LYS HD3 . . 3.960 2.332 1.999 2.882 . 0 0 "[ . 1 . 2]" 1 2236 1 97 PHE QE 1 118 LYS HG2 . . 5.370 4.290 3.965 4.903 . 0 0 "[ . 1 . 2]" 1 2237 1 97 PHE QE 1 118 LYS HG3 . . 5.500 4.867 4.489 5.260 . 0 0 "[ . 1 . 2]" 1 2238 1 97 PHE QE 1 119 VAL H . . 4.430 3.501 3.215 3.783 . 0 0 "[ . 1 . 2]" 1 2239 1 97 PHE QE 1 119 VAL HA . . 3.400 2.298 1.994 2.742 . 0 0 "[ . 1 . 2]" 1 2240 1 97 PHE QE 1 119 VAL HB . . 4.980 4.546 4.204 4.945 . 0 0 "[ . 1 . 2]" 1 2241 1 97 PHE QE 1 119 VAL MG2 . . 3.130 2.242 1.983 2.505 . 0 0 "[ . 1 . 2]" 1 2242 1 97 PHE QE 1 122 HIS HD2 . . 4.640 2.975 2.599 3.434 . 0 0 "[ . 1 . 2]" 1 2243 1 97 PHE HZ 1 107 LEU HB3 . . 4.790 4.461 4.177 4.790 . 14 0 "[ . 1 . 2]" 1 2244 1 97 PHE HZ 1 107 LEU MD1 . . 3.760 3.036 2.769 3.234 . 0 0 "[ . 1 . 2]" 1 2245 1 97 PHE HZ 1 115 LEU HA . . 4.060 3.589 3.315 3.870 . 0 0 "[ . 1 . 2]" 1 2246 1 97 PHE HZ 1 115 LEU MD1 . . 3.530 2.734 2.284 3.158 . 0 0 "[ . 1 . 2]" 1 2247 1 97 PHE HZ 1 118 LYS H . . 4.810 4.657 4.324 4.818 0.008 16 0 "[ . 1 . 2]" 1 2248 1 97 PHE HZ 1 118 LYS HA . . 5.500 4.967 4.779 5.303 . 0 0 "[ . 1 . 2]" 1 2249 1 97 PHE HZ 1 118 LYS HB2 . . 3.940 2.479 2.054 2.747 . 0 0 "[ . 1 . 2]" 1 2250 1 97 PHE HZ 1 118 LYS HB3 . . 4.170 2.641 2.387 3.057 . 0 0 "[ . 1 . 2]" 1 2251 1 97 PHE HZ 1 118 LYS HD2 . . 5.030 3.564 3.182 4.121 . 0 0 "[ . 1 . 2]" 1 2252 1 97 PHE HZ 1 118 LYS HD3 . . 4.690 3.231 2.787 3.828 . 0 0 "[ . 1 . 2]" 1 2253 1 97 PHE HZ 1 118 LYS HG2 . . 5.500 4.572 4.231 5.071 . 0 0 "[ . 1 . 2]" 1 2254 1 97 PHE HZ 1 118 LYS HG3 . . 5.500 4.739 4.489 5.075 . 0 0 "[ . 1 . 2]" 1 2255 1 97 PHE HZ 1 119 VAL H . . 4.740 3.567 3.119 3.926 . 0 0 "[ . 1 . 2]" 1 2256 1 97 PHE HZ 1 119 VAL HA . . 4.820 4.150 3.765 4.521 . 0 0 "[ . 1 . 2]" 1 2257 1 97 PHE HZ 1 119 VAL MG2 . . 3.990 2.828 2.420 3.235 . 0 0 "[ . 1 . 2]" 1 2258 1 98 PHE H 1 98 PHE HB2 . . 3.570 2.542 2.364 2.653 . 0 0 "[ . 1 . 2]" 1 2259 1 98 PHE H 1 98 PHE HB3 . . 3.970 3.719 3.611 3.787 . 0 0 "[ . 1 . 2]" 1 2260 1 98 PHE H 1 98 PHE QD . . 3.690 3.222 2.853 3.581 . 0 0 "[ . 1 . 2]" 1 2261 1 98 PHE H 1 99 LYS H . . 4.730 4.271 4.146 4.446 . 0 0 "[ . 1 . 2]" 1 2262 1 98 PHE H 1 104 ILE HG12 . . 5.500 4.940 4.526 5.237 . 0 0 "[ . 1 . 2]" 1 2263 1 98 PHE HA 1 98 PHE QD . . 3.880 2.565 2.228 2.805 . 0 0 "[ . 1 . 2]" 1 2264 1 98 PHE HA 1 99 LYS H . . 2.770 2.145 2.138 2.189 . 0 0 "[ . 1 . 2]" 1 2265 1 98 PHE HA 1 99 LYS QB . . 5.340 4.105 3.945 4.234 . 0 0 "[ . 1 . 2]" 1 2266 1 98 PHE HA 1 102 GLN H . . 4.610 3.737 3.507 3.911 . 0 0 "[ . 1 . 2]" 1 2267 1 98 PHE HA 1 103 LYS HA . . 3.500 2.341 2.152 2.514 . 0 0 "[ . 1 . 2]" 1 2268 1 98 PHE HA 1 103 LYS HB3 . . 5.500 5.279 5.068 5.477 . 0 0 "[ . 1 . 2]" 1 2269 1 98 PHE HA 1 104 ILE H . . 3.660 3.305 2.846 3.559 . 0 0 "[ . 1 . 2]" 1 2270 1 98 PHE HA 1 104 ILE MD . . 5.420 5.001 4.671 5.417 . 0 0 "[ . 1 . 2]" 1 2271 1 98 PHE HA 1 104 ILE HG12 . . 4.170 3.814 3.370 4.160 . 0 0 "[ . 1 . 2]" 1 2272 1 98 PHE HA 1 104 ILE HG13 . . 5.450 5.068 4.458 5.452 0.002 11 0 "[ . 1 . 2]" 1 2273 1 98 PHE HA 1 104 ILE MG . . 4.440 4.224 3.859 4.446 0.006 12 0 "[ . 1 . 2]" 1 2274 1 98 PHE HB2 1 99 LYS H . . 4.520 4.348 4.120 4.451 . 0 0 "[ . 1 . 2]" 1 2275 1 98 PHE HB3 1 99 LYS H . . 3.650 3.490 3.073 3.652 0.002 16 0 "[ . 1 . 2]" 1 2276 1 98 PHE HB3 1 101 SER H . . 4.810 3.580 3.120 3.883 . 0 0 "[ . 1 . 2]" 1 2277 1 98 PHE HB3 1 102 GLN H . . 4.230 3.291 2.962 3.679 . 0 0 "[ . 1 . 2]" 1 2278 1 98 PHE QD 1 99 LYS H . . 4.330 3.966 3.744 4.230 . 0 0 "[ . 1 . 2]" 1 2279 1 98 PHE QD 1 101 SER HA . . 4.990 4.321 3.721 4.806 . 0 0 "[ . 1 . 2]" 1 2280 1 98 PHE QD 1 102 GLN H . . 4.270 3.683 3.230 4.031 . 0 0 "[ . 1 . 2]" 1 2281 1 98 PHE QD 1 103 LYS H . . 4.350 2.877 2.591 3.439 . 0 0 "[ . 1 . 2]" 1 2282 1 98 PHE QD 1 103 LYS HA . . 4.040 2.696 2.239 3.312 . 0 0 "[ . 1 . 2]" 1 2283 1 98 PHE QD 1 103 LYS HB2 . . 5.140 2.941 2.503 3.566 . 0 0 "[ . 1 . 2]" 1 2284 1 98 PHE QD 1 103 LYS QG . . 5.040 3.780 3.236 4.414 . 0 0 "[ . 1 . 2]" 1 2285 1 98 PHE QE 1 103 LYS H . . 4.440 3.559 3.273 3.804 . 0 0 "[ . 1 . 2]" 1 2286 1 98 PHE QE 1 103 LYS HA . . 4.790 3.832 3.477 4.248 . 0 0 "[ . 1 . 2]" 1 2287 1 98 PHE QE 1 103 LYS HB2 . . 4.170 2.244 2.004 2.922 . 0 0 "[ . 1 . 2]" 1 2288 1 98 PHE HZ 1 103 LYS HB2 . . 5.170 4.211 3.840 4.449 . 0 0 "[ . 1 . 2]" 1 2289 1 99 LYS H 1 99 LYS HB2 . . 3.910 2.656 2.364 3.036 . 0 0 "[ . 1 . 2]" 1 2290 1 99 LYS H 1 99 LYS QB . . 3.410 2.436 2.332 2.550 . 0 0 "[ . 1 . 2]" 1 2291 1 99 LYS H 1 99 LYS HB3 . . 3.910 3.067 2.570 3.617 . 0 0 "[ . 1 . 2]" 1 2292 1 99 LYS H 1 99 LYS QG . . 4.810 3.876 3.201 4.238 . 0 0 "[ . 1 . 2]" 1 2293 1 99 LYS H 1 100 ASN H . . 4.870 4.179 3.863 4.386 . 0 0 "[ . 1 . 2]" 1 2294 1 99 LYS H 1 101 SER H . . 5.140 4.289 3.987 4.473 . 0 0 "[ . 1 . 2]" 1 2295 1 99 LYS H 1 102 GLN H . . 3.450 2.879 2.657 3.120 . 0 0 "[ . 1 . 2]" 1 2296 1 99 LYS H 1 102 GLN HB2 . . 4.550 4.052 3.701 4.390 . 0 0 "[ . 1 . 2]" 1 2297 1 99 LYS H 1 102 GLN HB3 . . 5.460 4.923 4.515 5.242 . 0 0 "[ . 1 . 2]" 1 2298 1 99 LYS H 1 103 LYS HA . . 4.350 3.416 3.192 3.734 . 0 0 "[ . 1 . 2]" 1 2299 1 99 LYS H 1 104 ILE MD . . 4.590 4.101 3.711 4.608 0.018 17 0 "[ . 1 . 2]" 1 2300 1 99 LYS H 1 104 ILE HG12 . . 4.190 3.165 2.853 3.467 . 0 0 "[ . 1 . 2]" 1 2301 1 99 LYS H 1 104 ILE HG13 . . 5.050 4.845 4.585 5.035 . 0 0 "[ . 1 . 2]" 1 2302 1 99 LYS H 1 104 ILE MG . . 3.510 3.012 2.564 3.262 . 0 0 "[ . 1 . 2]" 1 2303 1 99 LYS QB 1 100 ASN H . . 4.150 3.736 3.253 3.966 . 0 0 "[ . 1 . 2]" 1 2304 1 99 LYS QB 1 100 ASN HB2 . . 4.410 3.818 3.285 4.304 . 0 0 "[ . 1 . 2]" 1 2305 1 99 LYS QB 1 104 ILE MD . . 3.130 2.267 1.894 3.203 0.073 17 0 "[ . 1 . 2]" 1 2306 1 99 LYS QB 1 104 ILE HG12 . . 4.450 2.561 2.128 2.905 . 0 0 "[ . 1 . 2]" 1 2307 1 99 LYS QB 1 104 ILE MG . . 3.280 1.982 1.767 2.350 . 0 0 "[ . 1 . 2]" 1 2308 1 99 LYS HB2 1 104 ILE HG12 . . 5.190 2.643 2.147 3.237 . 0 0 "[ . 1 . 2]" 1 2309 1 99 LYS HB2 1 104 ILE MG . . 3.920 2.384 1.951 3.201 . 0 0 "[ . 1 . 2]" 1 2310 1 99 LYS HB3 1 104 ILE HG12 . . 5.190 3.740 3.060 4.559 . 0 0 "[ . 1 . 2]" 1 2311 1 99 LYS HB3 1 104 ILE MG . . 3.920 2.480 1.917 3.595 . 0 0 "[ . 1 . 2]" 1 2312 1 99 LYS QD 1 99 LYS QG . . 2.330 2.057 2.021 2.088 . 0 0 "[ . 1 . 2]" 1 2313 1 99 LYS QD 1 104 ILE MD . . 4.080 3.101 1.845 3.912 . 0 0 "[ . 1 . 2]" 1 2314 1 99 LYS QE 1 99 LYS QG . . 3.210 2.271 2.018 2.553 . 0 0 "[ . 1 . 2]" 1 2315 1 99 LYS QE 1 104 ILE MD . . 3.630 2.797 1.856 3.626 . 0 0 "[ . 1 . 2]" 1 2316 1 99 LYS QE 1 104 ILE MG . . 5.340 4.500 3.868 5.289 . 0 0 "[ . 1 . 2]" 1 2317 1 99 LYS HE2 1 104 ILE MD . . 4.310 3.722 2.429 4.378 0.068 17 0 "[ . 1 . 2]" 1 2318 1 99 LYS HE3 1 104 ILE MD . . 4.310 3.040 1.868 4.310 . 0 0 "[ . 1 . 2]" 1 2319 1 99 LYS QG 1 100 ASN H . . 4.220 3.603 2.759 4.266 0.046 17 0 "[ . 1 . 2]" 1 2320 1 99 LYS QG 1 104 ILE MD . . 3.410 2.624 1.779 3.301 . 0 0 "[ . 1 . 2]" 1 2321 1 99 LYS QG 1 104 ILE HG12 . . 5.320 3.922 2.566 4.675 . 0 0 "[ . 1 . 2]" 1 2322 1 100 ASN H 1 100 ASN HA . . 2.890 2.279 2.274 2.285 . 0 0 "[ . 1 . 2]" 1 2323 1 100 ASN H 1 100 ASN HB2 . . 3.960 3.169 2.954 3.330 . 0 0 "[ . 1 . 2]" 1 2324 1 100 ASN H 1 101 SER H . . 3.720 2.628 2.491 2.800 . 0 0 "[ . 1 . 2]" 1 2325 1 100 ASN H 1 102 GLN H . . 4.890 4.060 3.816 4.369 . 0 0 "[ . 1 . 2]" 1 2326 1 100 ASN HA 1 102 GLN H . . 4.920 4.611 4.427 4.920 . 0 0 "[ . 1 . 2]" 1 2327 1 100 ASN HB2 1 101 SER H . . 5.270 4.484 4.225 4.610 . 0 0 "[ . 1 . 2]" 1 2328 1 100 ASN HB2 1 102 GLN H . . 5.370 4.934 4.283 5.361 . 0 0 "[ . 1 . 2]" 1 2329 1 100 ASN HB3 1 100 ASN QD . . 3.360 2.736 2.098 3.349 . 0 0 "[ . 1 . 2]" 1 2330 1 100 ASN HB3 1 101 SER H . . 5.200 4.234 4.111 4.348 . 0 0 "[ . 1 . 2]" 1 2331 1 100 ASN HB3 1 102 GLN H . . 4.800 4.343 3.861 4.810 0.010 17 0 "[ . 1 . 2]" 1 2332 1 100 ASN HB3 1 102 GLN QG . . 4.520 3.757 3.256 4.418 . 0 0 "[ . 1 . 2]" 1 2333 1 101 SER H 1 102 GLN H . . 3.390 2.600 2.457 2.704 . 0 0 "[ . 1 . 2]" 1 2334 1 101 SER QB 1 102 GLN QG . . 4.780 3.352 3.022 4.094 . 0 0 "[ . 1 . 2]" 1 2335 1 101 SER HB2 1 102 GLN H . . 4.800 4.419 4.111 4.626 . 0 0 "[ . 1 . 2]" 1 2336 1 101 SER HB3 1 102 GLN H . . 4.800 4.339 4.067 4.537 . 0 0 "[ . 1 . 2]" 1 2337 1 102 GLN H 1 102 GLN HB2 . . 3.200 2.846 2.705 2.948 . 0 0 "[ . 1 . 2]" 1 2338 1 102 GLN H 1 102 GLN HB3 . . 3.970 3.881 3.777 3.944 . 0 0 "[ . 1 . 2]" 1 2339 1 102 GLN H 1 102 GLN QG . . 3.500 3.312 3.101 3.501 0.001 11 0 "[ . 1 . 2]" 1 2340 1 102 GLN H 1 103 LYS H . . 4.590 4.012 3.855 4.172 . 0 0 "[ . 1 . 2]" 1 2341 1 102 GLN H 1 104 ILE MG . . 4.680 4.546 4.390 4.682 0.002 16 0 "[ . 1 . 2]" 1 2342 1 102 GLN HB2 1 103 LYS H . . 4.500 4.365 4.263 4.479 . 0 0 "[ . 1 . 2]" 1 2343 1 102 GLN HB3 1 103 LYS H . . 3.760 3.531 3.283 3.712 . 0 0 "[ . 1 . 2]" 1 2344 1 102 GLN HB3 1 104 ILE MG . . 3.910 3.677 3.419 3.913 0.003 18 0 "[ . 1 . 2]" 1 2345 1 102 GLN QG 1 103 LYS H . . 4.750 4.288 3.955 4.690 . 0 0 "[ . 1 . 2]" 1 2346 1 102 GLN QG 1 104 ILE MG . . 4.980 4.969 4.898 4.997 0.017 8 0 "[ . 1 . 2]" 1 2347 1 103 LYS H 1 103 LYS HB2 . . 3.320 2.388 2.305 2.508 . 0 0 "[ . 1 . 2]" 1 2348 1 103 LYS H 1 103 LYS HB3 . . 3.120 2.668 2.557 2.763 . 0 0 "[ . 1 . 2]" 1 2349 1 103 LYS H 1 103 LYS QE . . 5.050 4.576 4.017 5.046 . 0 0 "[ . 1 . 2]" 1 2350 1 103 LYS H 1 103 LYS HG2 . . 4.790 4.519 4.465 4.551 . 0 0 "[ . 1 . 2]" 1 2351 1 103 LYS H 1 103 LYS HG3 . . 4.790 4.358 4.275 4.457 . 0 0 "[ . 1 . 2]" 1 2352 1 103 LYS HA 1 103 LYS QE . . 4.840 4.498 4.256 4.687 . 0 0 "[ . 1 . 2]" 1 2353 1 103 LYS HA 1 103 LYS HG2 . . 3.940 3.011 2.955 3.087 . 0 0 "[ . 1 . 2]" 1 2354 1 103 LYS HA 1 103 LYS QG . . 3.440 2.383 2.328 2.474 . 0 0 "[ . 1 . 2]" 1 2355 1 103 LYS HA 1 103 LYS HG3 . . 3.940 2.500 2.414 2.653 . 0 0 "[ . 1 . 2]" 1 2356 1 103 LYS HA 1 104 ILE H . . 2.940 2.152 2.140 2.180 . 0 0 "[ . 1 . 2]" 1 2357 1 103 LYS HA 1 104 ILE HG12 . . 4.600 3.974 3.839 4.141 . 0 0 "[ . 1 . 2]" 1 2358 1 103 LYS HA 1 104 ILE HG13 . . 5.120 4.765 4.587 5.041 . 0 0 "[ . 1 . 2]" 1 2359 1 103 LYS HA 1 104 ILE MG . . 4.410 3.781 3.566 3.961 . 0 0 "[ . 1 . 2]" 1 2360 1 103 LYS HA 1 105 ASP H . . 4.040 3.693 3.558 3.852 . 0 0 "[ . 1 . 2]" 1 2361 1 103 LYS HB2 1 103 LYS QE . . 3.760 3.162 2.445 3.691 . 0 0 "[ . 1 . 2]" 1 2362 1 103 LYS HB2 1 104 ILE H . . 4.610 4.324 4.239 4.421 . 0 0 "[ . 1 . 2]" 1 2363 1 103 LYS HB3 1 103 LYS QE . . 3.250 2.219 1.968 2.667 . 0 0 "[ . 1 . 2]" 1 2364 1 103 LYS HB3 1 104 ILE H . . 4.720 4.125 3.974 4.262 . 0 0 "[ . 1 . 2]" 1 2365 1 103 LYS QE 1 103 LYS HG2 . . 3.760 2.309 2.151 2.519 . 0 0 "[ . 1 . 2]" 1 2366 1 103 LYS QE 1 103 LYS QG . . 3.240 2.267 2.123 2.442 . 0 0 "[ . 1 . 2]" 1 2367 1 103 LYS QE 1 103 LYS HG3 . . 3.760 3.325 3.275 3.416 . 0 0 "[ . 1 . 2]" 1 2368 1 103 LYS QE 1 104 ILE H . . 5.500 4.943 4.686 5.263 . 0 0 "[ . 1 . 2]" 1 2369 1 103 LYS QE 1 104 ILE HA . . 5.420 5.080 4.687 5.423 0.003 19 0 "[ . 1 . 2]" 1 2370 1 103 LYS QE 1 105 ASP H . . 5.340 5.018 4.696 5.330 . 0 0 "[ . 1 . 2]" 1 2371 1 103 LYS QG 1 104 ILE H . . 3.830 2.843 2.633 3.083 . 0 0 "[ . 1 . 2]" 1 2372 1 103 LYS QG 1 105 ASP H . . 3.400 2.989 2.777 3.198 . 0 0 "[ . 1 . 2]" 1 2373 1 103 LYS HG2 1 104 ILE H . . 4.420 3.087 2.823 3.415 . 0 0 "[ . 1 . 2]" 1 2374 1 103 LYS HG2 1 105 ASP H . . 4.100 3.181 2.932 3.425 . 0 0 "[ . 1 . 2]" 1 2375 1 103 LYS HG3 1 104 ILE H . . 4.420 3.333 3.027 3.536 . 0 0 "[ . 1 . 2]" 1 2376 1 103 LYS HG3 1 105 ASP H . . 4.100 3.639 3.365 3.884 . 0 0 "[ . 1 . 2]" 1 2377 1 104 ILE H 1 104 ILE MD . . 4.310 3.876 3.759 3.999 . 0 0 "[ . 1 . 2]" 1 2378 1 104 ILE H 1 104 ILE HG12 . . 3.290 2.336 2.156 2.593 . 0 0 "[ . 1 . 2]" 1 2379 1 104 ILE H 1 104 ILE HG13 . . 3.730 2.698 2.529 2.953 . 0 0 "[ . 1 . 2]" 1 2380 1 104 ILE H 1 104 ILE MG . . 3.600 2.863 2.697 3.021 . 0 0 "[ . 1 . 2]" 1 2381 1 104 ILE H 1 105 ASP H . . 2.980 1.917 1.800 2.075 . 0 0 "[ . 1 . 2]" 1 2382 1 104 ILE H 1 105 ASP HB2 . . 5.500 4.719 4.303 4.973 . 0 0 "[ . 1 . 2]" 1 2383 1 104 ILE HA 1 104 ILE MD . . 4.500 4.146 4.094 4.177 . 0 0 "[ . 1 . 2]" 1 2384 1 104 ILE HA 1 104 ILE MG . . 3.090 2.326 2.194 2.416 . 0 0 "[ . 1 . 2]" 1 2385 1 104 ILE HB 1 104 ILE MD . . 3.100 2.277 2.134 2.427 . 0 0 "[ . 1 . 2]" 1 2386 1 104 ILE HB 1 105 ASP H . . 4.470 3.884 3.728 4.033 . 0 0 "[ . 1 . 2]" 1 2387 1 104 ILE HB 1 105 ASP HB2 . . 5.060 4.057 3.846 4.604 . 0 0 "[ . 1 . 2]" 1 2388 1 104 ILE HB 1 122 HIS HE1 . . 5.380 4.973 4.392 5.376 . 0 0 "[ . 1 . 2]" 1 2389 1 104 ILE MD 1 104 ILE MG . . 2.980 2.225 2.034 2.426 . 0 0 "[ . 1 . 2]" 1 2390 1 104 ILE MD 1 105 ASP H . . 4.630 3.856 3.675 4.116 . 0 0 "[ . 1 . 2]" 1 2391 1 104 ILE MD 1 105 ASP HB2 . . 4.280 3.346 2.967 3.670 . 0 0 "[ . 1 . 2]" 1 2392 1 104 ILE MD 1 105 ASP HB3 . . 5.260 3.992 3.621 4.794 . 0 0 "[ . 1 . 2]" 1 2393 1 104 ILE MD 1 122 HIS HB2 . . 4.640 4.160 3.612 4.637 . 0 0 "[ . 1 . 2]" 1 2394 1 104 ILE MD 1 122 HIS HB3 . . 3.690 2.867 2.473 3.378 . 0 0 "[ . 1 . 2]" 1 2395 1 104 ILE MD 1 122 HIS HD2 . . 4.810 4.530 3.944 4.811 0.001 9 0 "[ . 1 . 2]" 1 2396 1 104 ILE MD 1 122 HIS HE1 . . 4.130 3.502 2.811 4.127 . 0 0 "[ . 1 . 2]" 1 2397 1 104 ILE HG12 1 104 ILE MG . . 3.310 2.226 2.118 2.344 . 0 0 "[ . 1 . 2]" 1 2398 1 104 ILE HG12 1 105 ASP H . . 4.400 3.037 2.675 3.384 . 0 0 "[ . 1 . 2]" 1 2399 1 104 ILE HG13 1 104 ILE MG . . 3.720 3.171 3.141 3.190 . 0 0 "[ . 1 . 2]" 1 2400 1 104 ILE HG13 1 105 ASP H . . 3.730 2.171 1.952 2.496 . 0 0 "[ . 1 . 2]" 1 2401 1 104 ILE HG13 1 105 ASP HB2 . . 3.980 2.707 2.430 3.024 . 0 0 "[ . 1 . 2]" 1 2402 1 104 ILE HG13 1 105 ASP HB3 . . 4.690 3.222 2.957 4.101 . 0 0 "[ . 1 . 2]" 1 2403 1 104 ILE MG 1 105 ASP H . . 4.540 3.992 3.935 4.061 . 0 0 "[ . 1 . 2]" 1 2404 1 104 ILE MG 1 105 ASP HB2 . . 5.500 5.114 5.000 5.230 . 0 0 "[ . 1 . 2]" 1 2405 1 105 ASP H 1 105 ASP HB3 . . 4.000 3.028 2.813 3.698 . 0 0 "[ . 1 . 2]" 1 2406 1 105 ASP H 1 106 ARG H . . 4.820 4.405 4.325 4.435 . 0 0 "[ . 1 . 2]" 1 2407 1 105 ASP HA 1 106 ARG H . . 3.000 2.438 2.259 2.512 . 0 0 "[ . 1 . 2]" 1 2408 1 105 ASP HB2 1 106 ARG H . . 4.130 3.878 3.736 4.166 0.036 18 0 "[ . 1 . 2]" 1 2409 1 105 ASP HB2 1 122 HIS HD2 . . 5.190 4.513 3.865 4.986 . 0 0 "[ . 1 . 2]" 1 2410 1 105 ASP HB2 1 122 HIS HE1 . . 4.520 2.550 2.039 3.599 . 0 0 "[ . 1 . 2]" 1 2411 1 105 ASP HB3 1 106 ARG H . . 3.630 3.276 2.582 3.616 . 0 0 "[ . 1 . 2]" 1 2412 1 105 ASP HB3 1 118 LYS HB3 . . 5.100 4.416 4.037 4.763 . 0 0 "[ . 1 . 2]" 1 2413 1 105 ASP HB3 1 118 LYS HD3 . . 5.440 4.451 3.597 4.986 . 0 0 "[ . 1 . 2]" 1 2414 1 105 ASP HB3 1 122 HIS HD2 . . 5.100 3.791 3.452 4.163 . 0 0 "[ . 1 . 2]" 1 2415 1 106 ARG H 1 106 ARG QB . . 3.770 2.778 2.513 2.820 . 0 0 "[ . 1 . 2]" 1 2416 1 106 ARG H 1 106 ARG HD2 . . 5.500 5.243 3.957 5.501 0.001 6 0 "[ . 1 . 2]" 1 2417 1 106 ARG H 1 106 ARG HD3 . . 5.500 5.231 4.037 5.625 0.125 18 0 "[ . 1 . 2]" 1 2418 1 106 ARG H 1 106 ARG HG2 . . 4.470 4.358 4.206 4.562 0.092 11 0 "[ . 1 . 2]" 1 2419 1 106 ARG H 1 118 LYS HD3 . . 4.560 4.264 3.545 4.561 0.001 18 0 "[ . 1 . 2]" 1 2420 1 106 ARG H 1 118 LYS HE2 . . 5.500 5.071 4.362 5.503 0.003 16 0 "[ . 1 . 2]" 1 2421 1 106 ARG H 1 118 LYS HE3 . . 5.500 4.623 3.896 5.202 . 0 0 "[ . 1 . 2]" 1 2422 1 106 ARG H 1 118 LYS HG2 . . 5.500 5.325 4.878 5.509 0.009 17 0 "[ . 1 . 2]" 1 2423 1 106 ARG HA 1 106 ARG QD . . 4.930 4.085 3.674 4.237 . 0 0 "[ . 1 . 2]" 1 2424 1 106 ARG HA 1 106 ARG HG2 . . 4.000 3.010 2.594 3.298 . 0 0 "[ . 1 . 2]" 1 2425 1 106 ARG HA 1 106 ARG HG3 . . 4.230 3.000 2.814 3.649 . 0 0 "[ . 1 . 2]" 1 2426 1 106 ARG HA 1 107 LEU H . . 2.930 2.209 2.142 2.267 . 0 0 "[ . 1 . 2]" 1 2427 1 106 ARG QB 1 106 ARG HD2 . . 3.580 2.272 2.021 2.452 . 0 0 "[ . 1 . 2]" 1 2428 1 106 ARG QB 1 106 ARG QD . . 3.110 2.135 2.000 2.398 . 0 0 "[ . 1 . 2]" 1 2429 1 106 ARG QB 1 106 ARG HD3 . . 3.580 2.639 2.438 3.386 . 0 0 "[ . 1 . 2]" 1 2430 1 106 ARG QB 1 106 ARG HE . . 4.890 3.748 2.454 4.264 . 0 0 "[ . 1 . 2]" 1 2431 1 106 ARG QB 1 107 LEU H . . 3.950 3.599 3.488 3.788 . 0 0 "[ . 1 . 2]" 1 2432 1 106 ARG HE 1 107 LEU H . . 5.500 4.813 3.926 5.500 0.000 12 0 "[ . 1 . 2]" 1 2433 1 106 ARG HG2 1 107 LEU H . . 3.660 2.575 2.010 3.264 . 0 0 "[ . 1 . 2]" 1 2434 1 106 ARG HG2 1 107 LEU HA . . 5.070 3.604 3.347 4.141 . 0 0 "[ . 1 . 2]" 1 2435 1 106 ARG HG2 1 108 ASP H . . 4.950 3.958 3.566 4.897 . 0 0 "[ . 1 . 2]" 1 2436 1 106 ARG HG3 1 107 LEU H . . 3.980 3.155 2.695 3.991 0.011 14 0 "[ . 1 . 2]" 1 2437 1 107 LEU H 1 107 LEU HB2 . . 3.890 2.734 2.566 2.905 . 0 0 "[ . 1 . 2]" 1 2438 1 107 LEU H 1 107 LEU HB3 . . 3.660 2.905 2.802 2.977 . 0 0 "[ . 1 . 2]" 1 2439 1 107 LEU H 1 107 LEU HG . . 4.940 4.596 4.493 4.697 . 0 0 "[ . 1 . 2]" 1 2440 1 107 LEU H 1 108 ASP H . . 4.780 4.239 4.120 4.478 . 0 0 "[ . 1 . 2]" 1 2441 1 107 LEU HA 1 107 LEU MD1 . . 4.720 3.781 3.707 3.824 . 0 0 "[ . 1 . 2]" 1 2442 1 107 LEU HA 1 107 LEU MD2 . . 3.190 2.563 2.367 2.817 . 0 0 "[ . 1 . 2]" 1 2443 1 107 LEU HA 1 108 ASP H . . 2.870 2.145 2.138 2.186 . 0 0 "[ . 1 . 2]" 1 2444 1 107 LEU HA 1 118 LYS QE . . 4.280 2.803 2.369 3.346 . 0 0 "[ . 1 . 2]" 1 2445 1 107 LEU HB2 1 108 ASP H . . 4.710 4.473 4.298 4.546 . 0 0 "[ . 1 . 2]" 1 2446 1 107 LEU HB2 1 115 LEU HA . . 4.980 4.285 4.166 4.378 . 0 0 "[ . 1 . 2]" 1 2447 1 107 LEU HB2 1 115 LEU MD1 . . 5.040 3.677 3.473 3.886 . 0 0 "[ . 1 . 2]" 1 2448 1 107 LEU HB2 1 118 LYS HD2 . . 4.010 2.801 2.001 3.434 . 0 0 "[ . 1 . 2]" 1 2449 1 107 LEU HB2 1 118 LYS HD3 . . 4.370 2.570 2.332 2.992 . 0 0 "[ . 1 . 2]" 1 2450 1 107 LEU HB2 1 118 LYS QE . . 3.720 3.159 2.771 3.595 . 0 0 "[ . 1 . 2]" 1 2451 1 107 LEU HB3 1 107 LEU MD1 . . 3.420 2.405 2.258 2.534 . 0 0 "[ . 1 . 2]" 1 2452 1 107 LEU HB3 1 107 LEU MD2 . . 3.610 2.331 2.181 2.438 . 0 0 "[ . 1 . 2]" 1 2453 1 107 LEU HB3 1 108 ASP H . . 5.030 4.056 3.793 4.193 . 0 0 "[ . 1 . 2]" 1 2454 1 107 LEU HB3 1 115 LEU MD1 . . 4.230 3.364 3.106 3.663 . 0 0 "[ . 1 . 2]" 1 2455 1 107 LEU MD1 1 108 ASP H . . 4.950 4.790 4.442 4.953 0.003 15 0 "[ . 1 . 2]" 1 2456 1 107 LEU MD1 1 111 HIS H . . 4.220 4.050 3.623 4.221 0.001 20 0 "[ . 1 . 2]" 1 2457 1 107 LEU MD1 1 111 HIS HB2 . . 4.360 2.737 2.476 2.993 . 0 0 "[ . 1 . 2]" 1 2458 1 107 LEU MD1 1 111 HIS QB . . 3.520 2.671 2.439 2.902 . 0 0 "[ . 1 . 2]" 1 2459 1 107 LEU MD1 1 111 HIS HB3 . . 4.360 3.743 3.472 3.905 . 0 0 "[ . 1 . 2]" 1 2460 1 107 LEU MD1 1 114 GLU H . . 4.600 4.562 4.469 4.604 0.004 7 0 "[ . 1 . 2]" 1 2461 1 107 LEU MD1 1 114 GLU HA . . 4.690 3.917 3.810 4.066 . 0 0 "[ . 1 . 2]" 1 2462 1 107 LEU MD1 1 114 GLU HB2 . . 4.230 3.854 3.609 3.956 . 0 0 "[ . 1 . 2]" 1 2463 1 107 LEU MD1 1 114 GLU HB3 . . 3.890 2.351 2.024 2.509 . 0 0 "[ . 1 . 2]" 1 2464 1 107 LEU MD1 1 114 GLU QG . . 3.670 2.518 2.205 2.771 . 0 0 "[ . 1 . 2]" 1 2465 1 107 LEU MD1 1 115 LEU H . . 3.390 2.903 2.787 3.021 . 0 0 "[ . 1 . 2]" 1 2466 1 107 LEU MD1 1 115 LEU HA . . 3.060 1.861 1.838 1.899 . 0 0 "[ . 1 . 2]" 1 2467 1 107 LEU MD1 1 115 LEU MD1 . . 3.310 2.163 1.928 2.392 . 0 0 "[ . 1 . 2]" 1 2468 1 107 LEU MD1 1 117 LYS H . . 5.500 5.062 4.779 5.329 . 0 0 "[ . 1 . 2]" 1 2469 1 107 LEU MD1 1 118 LYS HB2 . . 4.810 2.940 2.577 3.227 . 0 0 "[ . 1 . 2]" 1 2470 1 107 LEU MD1 1 118 LYS HD2 . . 3.900 1.961 1.867 2.124 . 0 0 "[ . 1 . 2]" 1 2471 1 107 LEU MD1 1 118 LYS HE2 . . 4.690 3.607 2.884 4.279 . 0 0 "[ . 1 . 2]" 1 2472 1 107 LEU MD1 1 118 LYS HE3 . . 4.690 3.750 3.131 4.472 . 0 0 "[ . 1 . 2]" 1 2473 1 107 LEU MD1 1 119 VAL H . . 4.740 4.587 4.379 4.740 0.000 19 0 "[ . 1 . 2]" 1 2474 1 107 LEU MD2 1 108 ASP H . . 3.500 2.352 2.003 2.760 . 0 0 "[ . 1 . 2]" 1 2475 1 107 LEU MD2 1 108 ASP QB . . 4.960 4.063 3.784 4.337 . 0 0 "[ . 1 . 2]" 1 2476 1 107 LEU MD2 1 111 HIS H . . 4.750 3.512 3.110 3.850 . 0 0 "[ . 1 . 2]" 1 2477 1 107 LEU MD2 1 111 HIS HB2 . . 4.130 2.340 2.193 2.529 . 0 0 "[ . 1 . 2]" 1 2478 1 107 LEU MD2 1 111 HIS QB . . 3.270 2.311 2.173 2.490 . 0 0 "[ . 1 . 2]" 1 2479 1 107 LEU MD2 1 111 HIS HB3 . . 4.130 3.617 3.500 3.722 . 0 0 "[ . 1 . 2]" 1 2480 1 107 LEU MD2 1 111 HIS HD2 . . 3.860 1.944 1.836 2.151 . 0 0 "[ . 1 . 2]" 1 2481 1 107 LEU MD2 1 114 GLU H . . 5.500 5.333 5.197 5.440 . 0 0 "[ . 1 . 2]" 1 2482 1 107 LEU MD2 1 114 GLU HB2 . . 4.170 4.040 3.878 4.182 0.012 17 0 "[ . 1 . 2]" 1 2483 1 107 LEU MD2 1 114 GLU HB3 . . 3.720 2.837 2.694 2.963 . 0 0 "[ . 1 . 2]" 1 2484 1 107 LEU MD2 1 114 GLU HG2 . . 4.220 2.989 2.745 3.193 . 0 0 "[ . 1 . 2]" 1 2485 1 107 LEU MD2 1 114 GLU HG3 . . 4.220 3.793 3.269 4.231 0.011 19 0 "[ . 1 . 2]" 1 2486 1 107 LEU MD2 1 115 LEU H . . 4.460 4.339 4.053 4.462 0.002 2 0 "[ . 1 . 2]" 1 2487 1 107 LEU MD2 1 115 LEU HA . . 4.210 4.134 3.800 4.214 0.004 16 0 "[ . 1 . 2]" 1 2488 1 107 LEU MD2 1 118 LYS HD2 . . 4.000 3.892 3.671 4.002 0.002 19 0 "[ . 1 . 2]" 1 2489 1 107 LEU MD2 1 118 LYS QE . . 3.640 3.519 3.339 3.638 . 0 0 "[ . 1 . 2]" 1 2490 1 107 LEU HG 1 108 ASP H . . 4.290 3.809 3.211 4.122 . 0 0 "[ . 1 . 2]" 1 2491 1 107 LEU HG 1 111 HIS HD2 . . 4.680 4.348 4.091 4.555 . 0 0 "[ . 1 . 2]" 1 2492 1 107 LEU HG 1 114 GLU QG . . 4.280 3.001 2.620 3.229 . 0 0 "[ . 1 . 2]" 1 2493 1 107 LEU HG 1 115 LEU HA . . 4.640 4.357 4.232 4.517 . 0 0 "[ . 1 . 2]" 1 2494 1 107 LEU HG 1 115 LEU MD1 . . 5.150 4.623 4.384 4.858 . 0 0 "[ . 1 . 2]" 1 2495 1 107 LEU HG 1 118 LYS HD2 . . 4.180 2.423 2.014 2.722 . 0 0 "[ . 1 . 2]" 1 2496 1 107 LEU HG 1 118 LYS HE2 . . 5.070 2.787 2.001 3.731 . 0 0 "[ . 1 . 2]" 1 2497 1 107 LEU HG 1 118 LYS QE . . 4.270 2.071 1.993 2.259 . 0 0 "[ . 1 . 2]" 1 2498 1 107 LEU HG 1 118 LYS HE3 . . 5.070 2.815 2.010 3.811 . 0 0 "[ . 1 . 2]" 1 2499 1 108 ASP H 1 108 ASP QB . . 3.210 2.623 2.300 3.061 . 0 0 "[ . 1 . 2]" 1 2500 1 108 ASP H 1 109 GLY H . . 4.990 4.453 4.257 4.535 . 0 0 "[ . 1 . 2]" 1 2501 1 108 ASP HA 1 109 GLY H . . 2.920 2.172 2.143 2.211 . 0 0 "[ . 1 . 2]" 1 2502 1 108 ASP HA 1 109 GLY QA . . 4.720 3.940 3.908 3.968 . 0 0 "[ . 1 . 2]" 1 2503 1 108 ASP QB 1 109 GLY H . . 3.910 3.376 2.917 3.788 . 0 0 "[ . 1 . 2]" 1 2504 1 109 GLY QA 1 110 ALA H . . 2.820 2.178 2.111 2.263 . 0 0 "[ . 1 . 2]" 1 2505 1 109 GLY QA 1 110 ALA HA . . 5.340 4.004 3.956 4.076 . 0 0 "[ . 1 . 2]" 1 2506 1 109 GLY QA 1 110 ALA MB . . 4.500 3.756 3.711 3.800 . 0 0 "[ . 1 . 2]" 1 2507 1 109 GLY QA 1 111 HIS H . . 5.340 4.653 4.219 5.231 . 0 0 "[ . 1 . 2]" 1 2508 1 109 GLY QA 1 111 HIS HD2 . . 3.860 3.212 2.887 3.551 . 0 0 "[ . 1 . 2]" 1 2509 1 109 GLY HA2 1 110 ALA H . . 3.250 2.250 2.140 2.424 . 0 0 "[ . 1 . 2]" 1 2510 1 109 GLY HA2 1 110 ALA MB . . 5.140 3.978 3.932 4.019 . 0 0 "[ . 1 . 2]" 1 2511 1 109 GLY HA3 1 110 ALA H . . 3.250 2.967 2.710 3.227 . 0 0 "[ . 1 . 2]" 1 2512 1 109 GLY HA3 1 110 ALA MB . . 5.140 4.615 4.489 4.736 . 0 0 "[ . 1 . 2]" 1 2513 1 110 ALA H 1 110 ALA MB . . 2.970 2.171 2.041 2.309 . 0 0 "[ . 1 . 2]" 1 2514 1 110 ALA HA 1 111 HIS H . . 2.910 2.206 2.151 2.320 . 0 0 "[ . 1 . 2]" 1 2515 1 110 ALA MB 1 111 HIS H . . 4.000 3.484 3.107 3.638 . 0 0 "[ . 1 . 2]" 1 2516 1 110 ALA MB 1 111 HIS HA . . 5.030 4.112 3.992 4.221 . 0 0 "[ . 1 . 2]" 1 2517 1 111 HIS H 1 111 HIS QB . . 3.170 2.574 2.417 2.836 . 0 0 "[ . 1 . 2]" 1 2518 1 111 HIS H 1 112 ALA H . . 4.440 4.176 3.997 4.325 . 0 0 "[ . 1 . 2]" 1 2519 1 111 HIS H 1 113 PRO HD2 . . 5.500 5.500 5.406 5.532 0.032 3 0 "[ . 1 . 2]" 1 2520 1 111 HIS H 1 114 GLU HB3 . . 5.050 4.664 4.389 4.855 . 0 0 "[ . 1 . 2]" 1 2521 1 111 HIS H 1 115 LEU HB2 . . 4.860 4.056 3.856 4.342 . 0 0 "[ . 1 . 2]" 1 2522 1 111 HIS HA 1 112 ALA H . . 3.320 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1 2523 1 111 HIS HA 1 112 ALA MB . . 4.580 3.932 3.916 3.963 . 0 0 "[ . 1 . 2]" 1 2524 1 111 HIS HA 1 113 PRO HD2 . . 4.280 3.153 3.097 3.234 . 0 0 "[ . 1 . 2]" 1 2525 1 111 HIS HA 1 113 PRO HD3 . . 4.950 4.755 4.701 4.824 . 0 0 "[ . 1 . 2]" 1 2526 1 111 HIS HA 1 114 GLU H . . 5.070 4.331 4.215 4.438 . 0 0 "[ . 1 . 2]" 1 2527 1 111 HIS QB 1 113 PRO QG . . 4.770 3.528 3.403 3.655 . 0 0 "[ . 1 . 2]" 1 2528 1 111 HIS QB 1 114 GLU H . . 3.880 2.541 2.451 2.676 . 0 0 "[ . 1 . 2]" 1 2529 1 111 HIS QB 1 114 GLU QG . . 3.970 3.198 3.060 3.413 . 0 0 "[ . 1 . 2]" 1 2530 1 111 HIS QB 1 115 LEU H . . 4.530 2.858 2.683 3.054 . 0 0 "[ . 1 . 2]" 1 2531 1 111 HIS HB2 1 114 GLU H . . 4.590 3.999 3.826 4.172 . 0 0 "[ . 1 . 2]" 1 2532 1 111 HIS HB2 1 114 GLU HB2 . . 4.220 3.193 3.070 3.325 . 0 0 "[ . 1 . 2]" 1 2533 1 111 HIS HB2 1 114 GLU HB3 . . 3.950 2.105 1.995 2.307 . 0 0 "[ . 1 . 2]" 1 2534 1 111 HIS HB2 1 114 GLU HG2 . . 5.170 3.817 3.606 4.047 . 0 0 "[ . 1 . 2]" 1 2535 1 111 HIS HB2 1 114 GLU HG3 . . 5.170 4.540 4.144 4.879 . 0 0 "[ . 1 . 2]" 1 2536 1 111 HIS HB3 1 114 GLU H . . 4.590 2.570 2.478 2.711 . 0 0 "[ . 1 . 2]" 1 2537 1 111 HIS HB3 1 114 GLU HB2 . . 4.220 2.004 1.990 2.076 . 0 0 "[ . 1 . 2]" 1 2538 1 111 HIS HB3 1 114 GLU HB3 . . 3.950 2.003 1.989 2.072 . 0 0 "[ . 1 . 2]" 1 2539 1 111 HIS HB3 1 114 GLU HG2 . . 5.170 3.791 3.602 4.239 . 0 0 "[ . 1 . 2]" 1 2540 1 111 HIS HB3 1 114 GLU HG3 . . 5.170 4.361 4.247 4.489 . 0 0 "[ . 1 . 2]" 1 2541 1 111 HIS HE1 1 114 GLU HB2 . . 5.410 5.254 5.027 5.415 0.005 17 0 "[ . 1 . 2]" 1 2542 1 112 ALA H 1 112 ALA MB . . 3.380 2.055 2.033 2.096 . 0 0 "[ . 1 . 2]" 1 2543 1 112 ALA H 1 113 PRO HD2 . . 4.130 1.936 1.885 1.990 . 0 0 "[ . 1 . 2]" 1 2544 1 112 ALA H 1 113 PRO HD3 . . 3.960 3.017 2.974 3.061 . 0 0 "[ . 1 . 2]" 1 2545 1 112 ALA HA 1 114 GLU H . . 5.170 5.012 4.804 5.075 . 0 0 "[ . 1 . 2]" 1 2546 1 112 ALA HA 1 115 LEU H . . 4.220 4.180 4.038 4.237 0.017 19 0 "[ . 1 . 2]" 1 2547 1 112 ALA HA 1 115 LEU HB2 . . 4.280 4.115 3.928 4.254 . 0 0 "[ . 1 . 2]" 1 2548 1 112 ALA HA 1 115 LEU HB3 . . 3.960 3.608 3.464 3.807 . 0 0 "[ . 1 . 2]" 1 2549 1 112 ALA HA 1 115 LEU MD2 . . 4.160 3.714 3.518 3.867 . 0 0 "[ . 1 . 2]" 1 2550 1 112 ALA HA 1 116 THR H . . 4.770 4.734 4.529 4.781 0.011 17 0 "[ . 1 . 2]" 1 2551 1 112 ALA MB 1 113 PRO HA . . 4.650 3.730 3.711 3.779 . 0 0 "[ . 1 . 2]" 1 2552 1 112 ALA MB 1 113 PRO QB . . 5.020 3.844 3.810 3.915 . 0 0 "[ . 1 . 2]" 1 2553 1 112 ALA MB 1 113 PRO HD2 . . 3.570 2.537 2.425 2.610 . 0 0 "[ . 1 . 2]" 1 2554 1 112 ALA MB 1 113 PRO HD3 . . 3.040 1.924 1.910 2.002 . 0 0 "[ . 1 . 2]" 1 2555 1 112 ALA MB 1 113 PRO HG2 . . 4.870 4.238 4.212 4.269 . 0 0 "[ . 1 . 2]" 1 2556 1 112 ALA MB 1 113 PRO QG . . 4.020 3.597 3.580 3.630 . 0 0 "[ . 1 . 2]" 1 2557 1 112 ALA MB 1 113 PRO HG3 . . 4.870 3.889 3.873 3.929 . 0 0 "[ . 1 . 2]" 1 2558 1 112 ALA MB 1 114 GLU H . . 5.120 4.478 4.386 4.517 . 0 0 "[ . 1 . 2]" 1 2559 1 112 ALA MB 1 115 LEU H . . 5.010 4.882 4.799 4.957 . 0 0 "[ . 1 . 2]" 1 2560 1 112 ALA MB 1 115 LEU HB2 . . 5.500 5.394 5.265 5.507 0.007 19 0 "[ . 1 . 2]" 1 2561 1 112 ALA MB 1 115 LEU MD2 . . 4.990 4.798 4.668 4.905 . 0 0 "[ . 1 . 2]" 1 2562 1 112 ALA MB 1 116 THR H . . 5.500 5.197 5.083 5.254 . 0 0 "[ . 1 . 2]" 1 2563 1 113 PRO HA 1 116 THR H . . 4.460 3.680 3.515 3.781 . 0 0 "[ . 1 . 2]" 1 2564 1 113 PRO HA 1 116 THR MG . . 4.790 4.478 4.333 4.608 . 0 0 "[ . 1 . 2]" 1 2565 1 113 PRO HA 1 117 LYS H . . 4.960 4.177 3.933 4.462 . 0 0 "[ . 1 . 2]" 1 2566 1 113 PRO HA 1 117 LYS QG . . 5.220 4.154 3.907 4.575 . 0 0 "[ . 1 . 2]" 1 2567 1 113 PRO QB 1 114 GLU H . . 3.580 2.837 2.795 2.985 . 0 0 "[ . 1 . 2]" 1 2568 1 113 PRO QB 1 115 LEU H . . 5.340 4.837 4.694 5.000 . 0 0 "[ . 1 . 2]" 1 2569 1 113 PRO HB2 1 114 GLU H . . 4.110 2.914 2.867 3.082 . 0 0 "[ . 1 . 2]" 1 2570 1 113 PRO HB3 1 114 GLU H . . 4.110 3.899 3.872 3.995 . 0 0 "[ . 1 . 2]" 1 2571 1 113 PRO HD2 1 114 GLU H . . 3.710 2.750 2.684 2.772 . 0 0 "[ . 1 . 2]" 1 2572 1 113 PRO HD3 1 114 GLU H . . 4.360 3.873 3.846 3.882 . 0 0 "[ . 1 . 2]" 1 2573 1 113 PRO QG 1 114 GLU H . . 3.470 1.925 1.886 2.074 . 0 0 "[ . 1 . 2]" 1 2574 1 114 GLU H 1 114 GLU HB2 . . 3.260 2.190 2.159 2.238 . 0 0 "[ . 1 . 2]" 1 2575 1 114 GLU H 1 114 GLU HB3 . . 3.260 2.939 2.875 2.993 . 0 0 "[ . 1 . 2]" 1 2576 1 114 GLU H 1 114 GLU HG2 . . 4.840 4.572 4.483 4.631 . 0 0 "[ . 1 . 2]" 1 2577 1 114 GLU H 1 114 GLU QG . . 4.210 3.989 3.846 4.047 . 0 0 "[ . 1 . 2]" 1 2578 1 114 GLU H 1 114 GLU HG3 . . 4.840 4.406 4.134 4.566 . 0 0 "[ . 1 . 2]" 1 2579 1 114 GLU H 1 115 LEU H . . 3.220 2.846 2.721 2.920 . 0 0 "[ . 1 . 2]" 1 2580 1 114 GLU H 1 117 LYS QE . . 5.500 4.641 3.664 5.481 . 0 0 "[ . 1 . 2]" 1 2581 1 114 GLU H 1 117 LYS QG . . 5.340 4.672 4.098 5.254 . 0 0 "[ . 1 . 2]" 1 2582 1 114 GLU HA 1 114 GLU HG2 . . 4.130 3.500 2.948 3.653 . 0 0 "[ . 1 . 2]" 1 2583 1 114 GLU HA 1 114 GLU QG . . 3.450 2.500 2.177 2.793 . 0 0 "[ . 1 . 2]" 1 2584 1 114 GLU HA 1 114 GLU HG3 . . 4.130 2.564 2.219 2.903 . 0 0 "[ . 1 . 2]" 1 2585 1 114 GLU HA 1 117 LYS QD . . 4.370 3.206 1.980 4.378 0.008 6 0 "[ . 1 . 2]" 1 2586 1 114 GLU HA 1 117 LYS QE . . 4.470 3.233 1.985 4.416 . 0 0 "[ . 1 . 2]" 1 2587 1 114 GLU HB2 1 115 LEU H . . 3.710 3.598 3.495 3.710 . 0 0 "[ . 1 . 2]" 1 2588 1 114 GLU HB3 1 115 LEU H . . 3.780 2.622 2.470 2.789 . 0 0 "[ . 1 . 2]" 1 2589 1 114 GLU QG 1 115 LEU HA . . 4.970 4.357 4.133 4.451 . 0 0 "[ . 1 . 2]" 1 2590 1 114 GLU QG 1 118 LYS HD2 . . 4.480 3.308 2.609 4.022 . 0 0 "[ . 1 . 2]" 1 2591 1 114 GLU QG 1 118 LYS QE . . 3.720 3.256 2.504 3.708 . 0 0 "[ . 1 . 2]" 1 2592 1 114 GLU QG 1 118 LYS HG3 . . 4.890 3.810 3.250 4.164 . 0 0 "[ . 1 . 2]" 1 2593 1 115 LEU H 1 115 LEU HB2 . . 3.520 2.474 2.375 2.571 . 0 0 "[ . 1 . 2]" 1 2594 1 115 LEU H 1 115 LEU HB3 . . 3.070 2.538 2.454 2.639 . 0 0 "[ . 1 . 2]" 1 2595 1 115 LEU H 1 115 LEU MD1 . . 4.390 4.005 3.946 4.079 . 0 0 "[ . 1 . 2]" 1 2596 1 115 LEU H 1 115 LEU MD2 . . 4.380 4.195 4.176 4.235 . 0 0 "[ . 1 . 2]" 1 2597 1 115 LEU H 1 116 THR H . . 3.230 2.897 2.778 3.011 . 0 0 "[ . 1 . 2]" 1 2598 1 115 LEU H 1 116 THR HB . . 5.500 4.996 4.844 5.102 . 0 0 "[ . 1 . 2]" 1 2599 1 115 LEU HA 1 115 LEU MD1 . . 3.090 2.109 1.967 2.416 . 0 0 "[ . 1 . 2]" 1 2600 1 115 LEU HA 1 115 LEU MD2 . . 4.570 3.898 3.866 3.934 . 0 0 "[ . 1 . 2]" 1 2601 1 115 LEU HA 1 115 LEU HG . . 3.810 3.083 2.973 3.245 . 0 0 "[ . 1 . 2]" 1 2602 1 115 LEU HA 1 117 LYS H . . 5.160 4.637 4.325 5.007 . 0 0 "[ . 1 . 2]" 1 2603 1 115 LEU HA 1 118 LYS HB2 . . 4.120 3.222 3.021 3.491 . 0 0 "[ . 1 . 2]" 1 2604 1 115 LEU HA 1 118 LYS HG3 . . 4.930 4.815 4.476 4.935 0.005 19 0 "[ . 1 . 2]" 1 2605 1 115 LEU HA 1 119 VAL H . . 4.850 4.089 3.980 4.246 . 0 0 "[ . 1 . 2]" 1 2606 1 115 LEU HA 1 119 VAL MG2 . . 4.570 3.563 3.395 3.671 . 0 0 "[ . 1 . 2]" 1 2607 1 115 LEU HB2 1 115 LEU MD1 . . 3.540 2.303 2.129 2.381 . 0 0 "[ . 1 . 2]" 1 2608 1 115 LEU HB2 1 115 LEU MD2 . . 3.400 2.390 2.266 2.485 . 0 0 "[ . 1 . 2]" 1 2609 1 115 LEU HB2 1 116 THR H . . 3.750 3.643 3.499 3.741 . 0 0 "[ . 1 . 2]" 1 2610 1 115 LEU HB3 1 115 LEU MD2 . . 3.200 2.266 2.151 2.395 . 0 0 "[ . 1 . 2]" 1 2611 1 115 LEU HB3 1 116 THR H . . 3.250 2.184 2.003 2.285 . 0 0 "[ . 1 . 2]" 1 2612 1 115 LEU HB3 1 116 THR HA . . 4.550 4.153 4.035 4.290 . 0 0 "[ . 1 . 2]" 1 2613 1 115 LEU HB3 1 116 THR HB . . 5.300 4.764 4.588 4.911 . 0 0 "[ . 1 . 2]" 1 2614 1 115 LEU HB3 1 116 THR MG . . 5.500 5.329 5.253 5.426 . 0 0 "[ . 1 . 2]" 1 2615 1 115 LEU HB3 1 119 VAL MG2 . . 4.020 3.967 3.861 4.027 0.007 4 0 "[ . 1 . 2]" 1 2616 1 115 LEU MD1 1 116 THR H . . 5.120 4.357 4.224 4.472 . 0 0 "[ . 1 . 2]" 1 2617 1 115 LEU MD1 1 116 THR HA . . 5.380 4.810 4.452 5.015 . 0 0 "[ . 1 . 2]" 1 2618 1 115 LEU MD1 1 118 LYS HB2 . . 5.090 3.849 3.593 4.016 . 0 0 "[ . 1 . 2]" 1 2619 1 115 LEU MD1 1 119 VAL H . . 4.740 4.193 3.769 4.495 . 0 0 "[ . 1 . 2]" 1 2620 1 115 LEU MD1 1 119 VAL HA . . 5.500 4.991 4.469 5.353 . 0 0 "[ . 1 . 2]" 1 2621 1 115 LEU MD1 1 119 VAL MG1 . . 5.020 4.627 4.079 4.865 . 0 0 "[ . 1 . 2]" 1 2622 1 115 LEU MD1 1 119 VAL MG2 . . 3.220 2.591 1.996 2.888 . 0 0 "[ . 1 . 2]" 1 2623 1 115 LEU MD2 1 116 THR H . . 4.630 3.841 3.606 4.006 . 0 0 "[ . 1 . 2]" 1 2624 1 115 LEU MD2 1 116 THR HA . . 4.810 4.463 4.112 4.630 . 0 0 "[ . 1 . 2]" 1 2625 1 115 LEU MD2 1 119 VAL MG2 . . 4.390 3.313 2.963 3.505 . 0 0 "[ . 1 . 2]" 1 2626 1 115 LEU HG 1 116 THR H . . 3.630 3.430 3.238 3.617 . 0 0 "[ . 1 . 2]" 1 2627 1 115 LEU HG 1 116 THR HA . . 4.750 3.595 3.368 3.732 . 0 0 "[ . 1 . 2]" 1 2628 1 116 THR H 1 116 THR HB . . 3.120 2.640 2.557 2.775 . 0 0 "[ . 1 . 2]" 1 2629 1 116 THR H 1 116 THR MG . . 3.950 3.767 3.760 3.776 . 0 0 "[ . 1 . 2]" 1 2630 1 116 THR H 1 117 LYS H . . 3.400 2.944 2.768 3.122 . 0 0 "[ . 1 . 2]" 1 2631 1 116 THR H 1 117 LYS QG . . 5.340 4.635 4.181 5.068 . 0 0 "[ . 1 . 2]" 1 2632 1 116 THR HA 1 116 THR MG . . 3.110 2.381 2.301 2.478 . 0 0 "[ . 1 . 2]" 1 2633 1 116 THR HA 1 118 LYS H . . 5.200 4.843 4.623 5.008 . 0 0 "[ . 1 . 2]" 1 2634 1 116 THR HA 1 119 VAL HB . . 3.260 2.436 2.229 2.570 . 0 0 "[ . 1 . 2]" 1 2635 1 116 THR HA 1 119 VAL MG2 . . 3.450 2.538 2.360 2.856 . 0 0 "[ . 1 . 2]" 1 2636 1 116 THR HA 1 120 GLN H . . 4.100 3.721 3.533 3.943 . 0 0 "[ . 1 . 2]" 1 2637 1 116 THR HA 1 120 GLN HG3 . . 4.860 3.845 3.483 4.617 . 0 0 "[ . 1 . 2]" 1 2638 1 116 THR HB 1 117 LYS H . . 3.190 2.398 2.087 2.630 . 0 0 "[ . 1 . 2]" 1 2639 1 116 THR HB 1 117 LYS HB2 . . 5.500 4.844 4.584 5.140 . 0 0 "[ . 1 . 2]" 1 2640 1 116 THR HB 1 117 LYS QG . . 4.830 3.515 3.148 3.904 . 0 0 "[ . 1 . 2]" 1 2641 1 116 THR HB 1 118 LYS H . . 5.500 5.296 5.103 5.505 0.005 15 0 "[ . 1 . 2]" 1 2642 1 116 THR HB 1 120 GLN H . . 5.500 5.443 5.280 5.503 0.003 11 0 "[ . 1 . 2]" 1 2643 1 116 THR MG 1 117 LYS H . . 3.910 3.302 3.067 3.453 . 0 0 "[ . 1 . 2]" 1 2644 1 116 THR MG 1 117 LYS HA . . 4.110 3.421 3.308 3.511 . 0 0 "[ . 1 . 2]" 1 2645 1 116 THR MG 1 117 LYS HB2 . . 5.500 5.182 4.999 5.361 . 0 0 "[ . 1 . 2]" 1 2646 1 116 THR MG 1 117 LYS HB3 . . 5.500 5.468 5.347 5.504 0.004 14 0 "[ . 1 . 2]" 1 2647 1 116 THR MG 1 117 LYS QG . . 4.460 3.942 3.764 4.183 . 0 0 "[ . 1 . 2]" 1 2648 1 116 THR MG 1 120 GLN H . . 4.480 3.558 3.338 3.768 . 0 0 "[ . 1 . 2]" 1 2649 1 116 THR MG 1 120 GLN HB2 . . 4.550 3.778 3.550 4.136 . 0 0 "[ . 1 . 2]" 1 2650 1 116 THR MG 1 120 GLN HB3 . . 5.100 4.518 4.304 4.847 . 0 0 "[ . 1 . 2]" 1 2651 1 116 THR MG 1 120 GLN HE21 . . 4.110 2.978 1.985 3.985 . 0 0 "[ . 1 . 2]" 1 2652 1 116 THR MG 1 120 GLN HE22 . . 4.110 3.367 2.426 4.060 . 0 0 "[ . 1 . 2]" 1 2653 1 116 THR MG 1 120 GLN HG2 . . 4.100 3.154 2.517 3.607 . 0 0 "[ . 1 . 2]" 1 2654 1 116 THR MG 1 120 GLN HG3 . . 3.800 2.252 1.976 2.734 . 0 0 "[ . 1 . 2]" 1 2655 1 117 LYS H 1 117 LYS HB2 . . 2.930 2.503 2.288 2.671 . 0 0 "[ . 1 . 2]" 1 2656 1 117 LYS H 1 117 LYS QE . . 5.500 4.246 3.577 4.884 . 0 0 "[ . 1 . 2]" 1 2657 1 117 LYS H 1 117 LYS HG2 . . 4.370 3.162 1.954 3.893 . 0 0 "[ . 1 . 2]" 1 2658 1 117 LYS H 1 117 LYS QG . . 3.500 2.249 1.943 2.651 . 0 0 "[ . 1 . 2]" 1 2659 1 117 LYS H 1 117 LYS HG3 . . 4.370 2.498 1.954 3.416 . 0 0 "[ . 1 . 2]" 1 2660 1 117 LYS H 1 118 LYS H . . 3.330 3.076 2.957 3.300 . 0 0 "[ . 1 . 2]" 1 2661 1 117 LYS H 1 119 VAL H . . 4.820 4.278 4.050 4.530 . 0 0 "[ . 1 . 2]" 1 2662 1 117 LYS H 1 119 VAL HB . . 5.240 5.011 4.848 5.159 . 0 0 "[ . 1 . 2]" 1 2663 1 117 LYS HA 1 117 LYS HG2 . . 3.780 2.565 2.209 2.980 . 0 0 "[ . 1 . 2]" 1 2664 1 117 LYS HA 1 117 LYS HG3 . . 3.780 3.137 2.585 3.809 0.029 15 0 "[ . 1 . 2]" 1 2665 1 117 LYS HA 1 119 VAL H . . 4.930 4.678 4.380 4.927 . 0 0 "[ . 1 . 2]" 1 2666 1 117 LYS HA 1 119 VAL HB . . 5.500 5.333 5.144 5.477 . 0 0 "[ . 1 . 2]" 1 2667 1 117 LYS HA 1 120 GLN HB2 . . 3.490 3.328 3.093 3.493 0.003 15 0 "[ . 1 . 2]" 1 2668 1 117 LYS HA 1 120 GLN HG2 . . 5.500 5.281 4.586 5.501 0.001 16 0 "[ . 1 . 2]" 1 2669 1 117 LYS HA 1 120 GLN HG3 . . 4.760 3.987 3.623 4.566 . 0 0 "[ . 1 . 2]" 1 2670 1 117 LYS HB2 1 118 LYS H . . 3.110 2.244 2.066 2.461 . 0 0 "[ . 1 . 2]" 1 2671 1 117 LYS HB3 1 117 LYS QE . . 5.020 3.490 2.360 4.320 . 0 0 "[ . 1 . 2]" 1 2672 1 117 LYS QG 1 118 LYS H . . 4.990 3.993 3.773 4.173 . 0 0 "[ . 1 . 2]" 1 2673 1 118 LYS H 1 118 LYS HB2 . . 3.350 2.319 2.209 2.457 . 0 0 "[ . 1 . 2]" 1 2674 1 118 LYS H 1 118 LYS HB3 . . 3.770 3.554 3.509 3.584 . 0 0 "[ . 1 . 2]" 1 2675 1 118 LYS H 1 118 LYS HD2 . . 4.660 3.714 3.347 4.164 . 0 0 "[ . 1 . 2]" 1 2676 1 118 LYS H 1 118 LYS QE . . 4.950 4.783 4.484 4.952 0.002 19 0 "[ . 1 . 2]" 1 2677 1 118 LYS H 1 118 LYS HG2 . . 4.300 3.854 3.659 4.032 . 0 0 "[ . 1 . 2]" 1 2678 1 118 LYS H 1 118 LYS HG3 . . 3.310 2.561 2.251 2.830 . 0 0 "[ . 1 . 2]" 1 2679 1 118 LYS H 1 119 VAL H . . 3.130 2.796 2.676 2.900 . 0 0 "[ . 1 . 2]" 1 2680 1 118 LYS H 1 119 VAL HB . . 5.020 4.968 4.854 5.021 0.001 18 0 "[ . 1 . 2]" 1 2681 1 118 LYS HA 1 118 LYS HD2 . . 4.910 4.545 4.416 4.630 . 0 0 "[ . 1 . 2]" 1 2682 1 118 LYS HA 1 118 LYS HD3 . . 5.030 4.486 4.352 4.582 . 0 0 "[ . 1 . 2]" 1 2683 1 118 LYS HA 1 118 LYS HG2 . . 3.320 2.620 2.412 2.789 . 0 0 "[ . 1 . 2]" 1 2684 1 118 LYS HA 1 118 LYS HG3 . . 3.930 2.693 2.510 2.803 . 0 0 "[ . 1 . 2]" 1 2685 1 118 LYS HA 1 121 ARG H . . 3.920 3.713 3.408 3.923 0.003 18 0 "[ . 1 . 2]" 1 2686 1 118 LYS HA 1 121 ARG HB2 . . 3.880 3.519 3.016 3.854 . 0 0 "[ . 1 . 2]" 1 2687 1 118 LYS HA 1 121 ARG HB3 . . 3.440 2.582 2.327 2.777 . 0 0 "[ . 1 . 2]" 1 2688 1 118 LYS HA 1 121 ARG HD2 . . 4.970 3.701 2.833 4.618 . 0 0 "[ . 1 . 2]" 1 2689 1 118 LYS HA 1 121 ARG QD . . 4.320 3.227 2.759 3.926 . 0 0 "[ . 1 . 2]" 1 2690 1 118 LYS HA 1 121 ARG HD3 . . 4.970 3.747 3.042 4.778 . 0 0 "[ . 1 . 2]" 1 2691 1 118 LYS HA 1 121 ARG QG . . 4.730 4.443 4.054 4.668 . 0 0 "[ . 1 . 2]" 1 2692 1 118 LYS HA 1 122 HIS H . . 4.550 3.750 3.421 4.049 . 0 0 "[ . 1 . 2]" 1 2693 1 118 LYS HA 1 122 HIS HD2 . . 4.520 3.759 3.322 4.212 . 0 0 "[ . 1 . 2]" 1 2694 1 118 LYS HB2 1 118 LYS HD2 . . 4.230 2.447 2.251 2.644 . 0 0 "[ . 1 . 2]" 1 2695 1 118 LYS HB2 1 119 VAL H . . 3.520 2.605 2.452 2.851 . 0 0 "[ . 1 . 2]" 1 2696 1 118 LYS HB2 1 122 HIS HD2 . . 4.470 4.075 3.502 4.467 . 0 0 "[ . 1 . 2]" 1 2697 1 118 LYS HB3 1 119 VAL H . . 3.570 3.315 3.054 3.548 . 0 0 "[ . 1 . 2]" 1 2698 1 118 LYS HB3 1 122 HIS HD2 . . 3.540 2.531 2.029 2.901 . 0 0 "[ . 1 . 2]" 1 2699 1 118 LYS HB3 1 122 HIS HE1 . . 5.500 5.077 4.508 5.480 . 0 0 "[ . 1 . 2]" 1 2700 1 118 LYS QE 1 118 LYS HG2 . . 3.390 2.553 2.333 3.001 . 0 0 "[ . 1 . 2]" 1 2701 1 118 LYS QE 1 118 LYS HG3 . . 3.690 2.616 2.306 3.039 . 0 0 "[ . 1 . 2]" 1 2702 1 118 LYS HG2 1 122 HIS HD2 . . 4.560 4.206 3.793 4.506 . 0 0 "[ . 1 . 2]" 1 2703 1 118 LYS HG3 1 119 VAL H . . 4.940 4.576 4.362 4.742 . 0 0 "[ . 1 . 2]" 1 2704 1 119 VAL H 1 119 VAL HB . . 2.990 2.585 2.515 2.654 . 0 0 "[ . 1 . 2]" 1 2705 1 119 VAL H 1 119 VAL MG1 . . 4.080 3.765 3.761 3.769 . 0 0 "[ . 1 . 2]" 1 2706 1 119 VAL H 1 119 VAL MG2 . . 3.100 2.152 1.907 2.314 . 0 0 "[ . 1 . 2]" 1 2707 1 119 VAL H 1 120 GLN H . . 3.220 2.964 2.756 3.094 . 0 0 "[ . 1 . 2]" 1 2708 1 119 VAL H 1 121 ARG H . . 4.740 4.368 4.094 4.554 . 0 0 "[ . 1 . 2]" 1 2709 1 119 VAL HA 1 119 VAL MG1 . . 3.200 2.393 2.306 2.461 . 0 0 "[ . 1 . 2]" 1 2710 1 119 VAL HA 1 119 VAL MG2 . . 3.570 2.341 2.226 2.445 . 0 0 "[ . 1 . 2]" 1 2711 1 119 VAL HA 1 121 ARG H . . 4.920 4.833 4.571 4.921 0.001 16 0 "[ . 1 . 2]" 1 2712 1 119 VAL HA 1 122 HIS H . . 4.220 4.074 3.898 4.219 . 0 0 "[ . 1 . 2]" 1 2713 1 119 VAL HA 1 122 HIS HB2 . . 4.160 3.463 3.184 3.998 . 0 0 "[ . 1 . 2]" 1 2714 1 119 VAL HA 1 122 HIS HD2 . . 4.590 3.385 3.090 3.768 . 0 0 "[ . 1 . 2]" 1 2715 1 119 VAL HA 1 123 ALA H . . 4.610 3.958 3.514 4.506 . 0 0 "[ . 1 . 2]" 1 2716 1 119 VAL HA 1 123 ALA MB . . 4.920 4.092 3.711 4.450 . 0 0 "[ . 1 . 2]" 1 2717 1 119 VAL HB 1 120 GLN H . . 3.190 2.262 2.099 2.558 . 0 0 "[ . 1 . 2]" 1 2718 1 119 VAL HB 1 121 ARG H . . 5.500 4.934 4.708 5.110 . 0 0 "[ . 1 . 2]" 1 2719 1 119 VAL MG1 1 120 GLN H . . 3.780 3.137 2.951 3.432 . 0 0 "[ . 1 . 2]" 1 2720 1 119 VAL MG1 1 120 GLN HA . . 3.970 3.350 3.224 3.568 . 0 0 "[ . 1 . 2]" 1 2721 1 119 VAL MG1 1 120 GLN HG3 . . 4.740 4.007 3.539 4.747 0.007 17 0 "[ . 1 . 2]" 1 2722 1 119 VAL MG1 1 123 ALA H . . 4.970 4.034 3.812 4.390 . 0 0 "[ . 1 . 2]" 1 2723 1 119 VAL MG1 1 123 ALA HA . . 5.250 4.732 4.125 5.126 . 0 0 "[ . 1 . 2]" 1 2724 1 119 VAL MG2 1 120 GLN H . . 4.060 3.722 3.642 3.839 . 0 0 "[ . 1 . 2]" 1 2725 1 119 VAL MG2 1 122 HIS HD2 . . 5.020 4.398 4.125 4.784 . 0 0 "[ . 1 . 2]" 1 2726 1 120 GLN H 1 120 GLN HB2 . . 3.100 2.541 2.386 2.650 . 0 0 "[ . 1 . 2]" 1 2727 1 120 GLN H 1 120 GLN HB3 . . 3.750 3.588 3.577 3.594 . 0 0 "[ . 1 . 2]" 1 2728 1 120 GLN H 1 120 GLN HG2 . . 3.880 3.005 1.937 3.732 . 0 0 "[ . 1 . 2]" 1 2729 1 120 GLN H 1 120 GLN HG3 . . 3.300 2.405 1.945 3.274 . 0 0 "[ . 1 . 2]" 1 2730 1 120 GLN H 1 121 ARG H . . 3.260 2.822 2.609 3.002 . 0 0 "[ . 1 . 2]" 1 2731 1 120 GLN HA 1 120 GLN HG2 . . 3.360 2.588 2.351 2.833 . 0 0 "[ . 1 . 2]" 1 2732 1 120 GLN HA 1 120 GLN HG3 . . 3.830 3.282 2.734 3.837 0.007 12 0 "[ . 1 . 2]" 1 2733 1 120 GLN HA 1 123 ALA H . . 4.230 3.566 3.229 3.755 . 0 0 "[ . 1 . 2]" 1 2734 1 120 GLN HA 1 123 ALA MB . . 3.430 2.164 2.029 2.304 . 0 0 "[ . 1 . 2]" 1 2735 1 120 GLN HB2 1 121 ARG H . . 3.450 2.372 2.218 2.637 . 0 0 "[ . 1 . 2]" 1 2736 1 120 GLN HB3 1 121 ARG H . . 3.780 3.457 3.199 3.777 . 0 0 "[ . 1 . 2]" 1 2737 1 120 GLN HB3 1 123 ALA MB . . 4.190 4.086 3.905 4.200 0.010 8 0 "[ . 1 . 2]" 1 2738 1 120 GLN QE 1 120 GLN HG2 . . 3.400 2.255 2.098 3.018 . 0 0 "[ . 1 . 2]" 1 2739 1 120 GLN HG2 1 121 ARG H . . 5.500 4.709 4.149 4.986 . 0 0 "[ . 1 . 2]" 1 2740 1 120 GLN HG2 1 123 ALA MB . . 4.920 4.226 4.072 4.528 . 0 0 "[ . 1 . 2]" 1 2741 1 120 GLN HG3 1 121 ARG H . . 4.930 4.252 4.049 4.607 . 0 0 "[ . 1 . 2]" 1 2742 1 121 ARG H 1 121 ARG HB2 . . 3.060 2.506 2.349 2.597 . 0 0 "[ . 1 . 2]" 1 2743 1 121 ARG H 1 121 ARG HB3 . . 3.070 2.563 2.470 2.756 . 0 0 "[ . 1 . 2]" 1 2744 1 121 ARG H 1 121 ARG HD2 . . 5.380 4.846 4.664 5.271 . 0 0 "[ . 1 . 2]" 1 2745 1 121 ARG H 1 121 ARG QD . . 4.560 4.360 4.188 4.403 . 0 0 "[ . 1 . 2]" 1 2746 1 121 ARG H 1 121 ARG HD3 . . 5.380 5.000 4.556 5.269 . 0 0 "[ . 1 . 2]" 1 2747 1 121 ARG H 1 121 ARG HG2 . . 4.810 4.445 4.376 4.523 . 0 0 "[ . 1 . 2]" 1 2748 1 121 ARG H 1 121 ARG QG . . 4.230 3.973 3.931 4.036 . 0 0 "[ . 1 . 2]" 1 2749 1 121 ARG H 1 121 ARG HG3 . . 4.810 4.477 4.319 4.628 . 0 0 "[ . 1 . 2]" 1 2750 1 121 ARG H 1 122 HIS HB2 . . 5.500 5.262 5.079 5.482 . 0 0 "[ . 1 . 2]" 1 2751 1 121 ARG H 1 123 ALA H . . 4.600 4.138 3.728 4.489 . 0 0 "[ . 1 . 2]" 1 2752 1 121 ARG HA 1 121 ARG HD2 . . 4.880 4.509 4.286 4.610 . 0 0 "[ . 1 . 2]" 1 2753 1 121 ARG HA 1 121 ARG QD . . 4.240 4.034 3.480 4.137 . 0 0 "[ . 1 . 2]" 1 2754 1 121 ARG HA 1 121 ARG HD3 . . 4.880 4.598 3.600 4.826 . 0 0 "[ . 1 . 2]" 1 2755 1 121 ARG HA 1 121 ARG HG2 . . 3.890 2.928 2.400 3.305 . 0 0 "[ . 1 . 2]" 1 2756 1 121 ARG HA 1 121 ARG QG . . 3.310 2.524 2.364 2.594 . 0 0 "[ . 1 . 2]" 1 2757 1 121 ARG HA 1 121 ARG HG3 . . 3.890 2.847 2.599 3.620 . 0 0 "[ . 1 . 2]" 1 2758 1 121 ARG HA 1 123 ALA H . . 5.160 4.569 3.764 5.094 . 0 0 "[ . 1 . 2]" 1 2759 1 121 ARG HB2 1 121 ARG QD . . 3.590 2.587 2.277 3.227 . 0 0 "[ . 1 . 2]" 1 2760 1 121 ARG HB2 1 122 HIS H . . 3.920 3.690 3.562 3.857 . 0 0 "[ . 1 . 2]" 1 2761 1 121 ARG HB3 1 121 ARG HD2 . . 3.860 2.695 2.288 3.217 . 0 0 "[ . 1 . 2]" 1 2762 1 121 ARG HB3 1 121 ARG HD3 . . 3.860 2.532 2.243 2.764 . 0 0 "[ . 1 . 2]" 1 2763 1 121 ARG HB3 1 121 ARG QG . . 2.580 2.420 2.321 2.472 . 0 0 "[ . 1 . 2]" 1 2764 1 121 ARG HB3 1 122 HIS H . . 3.300 2.229 2.105 2.463 . 0 0 "[ . 1 . 2]" 1 2765 1 121 ARG HB3 1 122 HIS HD2 . . 4.900 4.383 3.669 4.736 . 0 0 "[ . 1 . 2]" 1 2766 1 121 ARG QD 1 122 HIS HE1 . . 4.740 3.096 2.497 3.525 . 0 0 "[ . 1 . 2]" 1 2767 1 121 ARG HD2 1 122 HIS HE1 . . 5.390 4.522 3.062 5.334 . 0 0 "[ . 1 . 2]" 1 2768 1 121 ARG HD3 1 122 HIS HE1 . . 5.390 3.227 2.538 3.838 . 0 0 "[ . 1 . 2]" 1 2769 1 121 ARG QG 1 122 HIS H . . 3.970 3.283 2.965 3.851 . 0 0 "[ . 1 . 2]" 1 2770 1 121 ARG HG2 1 122 HIS H . . 4.580 3.387 3.030 4.188 . 0 0 "[ . 1 . 2]" 1 2771 1 121 ARG HG3 1 122 HIS H . . 4.580 4.478 4.211 4.579 . 0 0 "[ . 1 . 2]" 1 2772 1 122 HIS H 1 122 HIS HB2 . . 3.140 2.578 2.483 2.651 . 0 0 "[ . 1 . 2]" 1 2773 1 122 HIS H 1 122 HIS HB3 . . 3.660 3.595 3.587 3.610 . 0 0 "[ . 1 . 2]" 1 2774 1 122 HIS H 1 122 HIS HD2 . . 4.030 3.388 2.860 3.649 . 0 0 "[ . 1 . 2]" 1 2775 1 122 HIS H 1 123 ALA H . . 3.090 2.669 2.501 2.866 . 0 0 "[ . 1 . 2]" 1 2776 1 122 HIS H 1 123 ALA MB . . 4.570 4.231 4.048 4.339 . 0 0 "[ . 1 . 2]" 1 2777 1 122 HIS H 1 124 SER H . . 4.700 4.295 3.891 4.491 . 0 0 "[ . 1 . 2]" 1 2778 1 122 HIS HB2 1 122 HIS HD2 . . 3.610 2.700 2.690 2.717 . 0 0 "[ . 1 . 2]" 1 2779 1 122 HIS HB2 1 123 ALA H . . 3.810 2.660 2.293 3.384 . 0 0 "[ . 1 . 2]" 1 2780 1 122 HIS HB2 1 123 ALA HA . . 4.840 4.183 3.978 4.521 . 0 0 "[ . 1 . 2]" 1 2781 1 122 HIS HB2 1 123 ALA MB . . 4.770 4.094 3.961 4.336 . 0 0 "[ . 1 . 2]" 1 2782 1 122 HIS HB3 1 123 ALA H . . 4.240 3.765 3.457 4.243 0.003 18 0 "[ . 1 . 2]" 1 2783 1 122 HIS HB3 1 123 ALA MB . . 5.500 5.018 4.814 5.209 . 0 0 "[ . 1 . 2]" 1 2784 1 123 ALA H 1 123 ALA MB . . 2.800 2.201 2.076 2.324 . 0 0 "[ . 1 . 2]" 1 2785 1 123 ALA H 1 124 SER H . . 3.290 2.903 2.472 3.030 . 0 0 "[ . 1 . 2]" 1 2786 1 123 ALA MB 1 124 SER H . . 3.560 2.964 2.571 3.576 0.016 16 0 "[ . 1 . 2]" 1 2787 1 123 ALA MB 1 124 SER HA . . 4.990 4.091 3.693 4.911 . 0 0 "[ . 1 . 2]" 1 2788 1 123 ALA MB 1 124 SER QB . . 4.880 4.093 3.096 4.507 . 0 0 "[ . 1 . 2]" 1 2789 1 124 SER H 1 124 SER QB . . 3.230 2.530 2.229 3.155 . 0 0 "[ . 1 . 2]" 1 2790 1 124 SER H 1 125 SER H . . 4.720 3.745 2.548 4.585 . 0 0 "[ . 1 . 2]" 1 2791 1 124 SER QB 1 125 SER H . . 5.150 3.597 2.244 4.058 . 0 0 "[ . 1 . 2]" 1 2792 1 126 GLY QA 1 127 PRO QG . . 4.570 3.685 3.647 3.790 . 0 0 "[ . 1 . 2]" 1 2793 1 126 GLY HA2 1 127 PRO QD . . 3.310 2.409 1.855 3.345 0.035 14 0 "[ . 1 . 2]" 1 2794 1 126 GLY HA3 1 127 PRO QD . . 3.310 2.419 1.910 3.323 0.013 4 0 "[ . 1 . 2]" 1 stop_ save_
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