NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
416358 | 2dj4 | 10323 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dj4 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 2531 _Distance_constraint_stats_list.Viol_count 1005 _Distance_constraint_stats_list.Viol_total 237.711 _Distance_constraint_stats_list.Viol_max 0.154 _Distance_constraint_stats_list.Viol_rms 0.0030 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0118 _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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 VAL 0.007 0.007 10 0 "[ . 1 . 2]" 1 9 VAL 0.173 0.016 19 0 "[ . 1 . 2]" 1 10 ASP 0.281 0.016 19 0 "[ . 1 . 2]" 1 11 PRO 0.117 0.012 14 0 "[ . 1 . 2]" 1 12 SER 0.000 0.000 17 0 "[ . 1 . 2]" 1 13 LYS 0.836 0.137 20 0 "[ . 1 . 2]" 1 14 VAL 0.212 0.027 20 0 "[ . 1 . 2]" 1 15 LYS 0.018 0.013 20 0 "[ . 1 . 2]" 1 16 ILE 0.054 0.009 11 0 "[ . 1 . 2]" 1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 PRO 0.002 0.002 10 0 "[ . 1 . 2]" 1 20 GLY 0.005 0.003 4 0 "[ . 1 . 2]" 1 21 LEU 0.011 0.005 17 0 "[ . 1 . 2]" 1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 GLY 0.001 0.001 4 0 "[ . 1 . 2]" 1 25 VAL 0.128 0.055 17 0 "[ . 1 . 2]" 1 26 ARG 0.299 0.055 17 0 "[ . 1 . 2]" 1 27 ALA 0.029 0.007 17 0 "[ . 1 . 2]" 1 28 ARG 0.018 0.004 20 0 "[ . 1 . 2]" 1 29 VAL 0.062 0.021 17 0 "[ . 1 . 2]" 1 30 LEU 0.052 0.012 17 0 "[ . 1 . 2]" 1 31 GLN 0.082 0.012 17 0 "[ . 1 . 2]" 1 32 SER 0.010 0.006 18 0 "[ . 1 . 2]" 1 33 PHE 0.022 0.004 17 0 "[ . 1 . 2]" 1 34 THR 0.013 0.005 18 0 "[ . 1 . 2]" 1 35 VAL 0.010 0.003 8 0 "[ . 1 . 2]" 1 36 ASP 0.059 0.005 11 0 "[ . 1 . 2]" 1 37 SER 0.007 0.004 17 0 "[ . 1 . 2]" 1 38 SER 0.003 0.002 10 0 "[ . 1 . 2]" 1 39 LYS 0.133 0.016 20 0 "[ . 1 . 2]" 1 40 ALA 0.059 0.016 20 0 "[ . 1 . 2]" 1 41 GLY 1.146 0.096 11 0 "[ . 1 . 2]" 1 42 LEU 1.644 0.096 11 0 "[ . 1 . 2]" 1 43 ALA 0.359 0.070 13 0 "[ . 1 . 2]" 1 44 PRO 0.207 0.025 11 0 "[ . 1 . 2]" 1 45 LEU 0.114 0.025 11 0 "[ . 1 . 2]" 1 46 GLU 0.060 0.028 20 0 "[ . 1 . 2]" 1 47 VAL 0.146 0.063 16 0 "[ . 1 . 2]" 1 48 ARG 0.614 0.154 16 0 "[ . 1 . 2]" 1 49 VAL 0.097 0.028 16 0 "[ . 1 . 2]" 1 50 LEU 0.089 0.015 16 0 "[ . 1 . 2]" 1 52 PRO 0.157 0.035 8 0 "[ . 1 . 2]" 1 53 ARG 0.692 0.100 4 0 "[ . 1 . 2]" 1 54 GLY 0.089 0.026 19 0 "[ . 1 . 2]" 1 55 LEU 0.057 0.032 8 0 "[ . 1 . 2]" 1 56 VAL 0.016 0.009 8 0 "[ . 1 . 2]" 1 57 GLU 0.027 0.007 16 0 "[ . 1 . 2]" 1 58 PRO 0.024 0.007 11 0 "[ . 1 . 2]" 1 59 VAL 0.076 0.013 16 0 "[ . 1 . 2]" 1 60 ASN 0.322 0.061 18 0 "[ . 1 . 2]" 1 61 VAL 0.151 0.025 11 0 "[ . 1 . 2]" 1 62 VAL 0.086 0.021 10 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 ASN 0.074 0.010 5 0 "[ . 1 . 2]" 1 65 GLY 0.108 0.025 8 0 "[ . 1 . 2]" 1 66 ASP 0.282 0.036 13 0 "[ . 1 . 2]" 1 67 GLY 0.114 0.025 8 0 "[ . 1 . 2]" 1 68 THR 0.417 0.036 13 0 "[ . 1 . 2]" 1 69 HIS 0.481 0.021 8 0 "[ . 1 . 2]" 1 70 THR 0.022 0.006 13 0 "[ . 1 . 2]" 1 71 VAL 0.028 0.013 11 0 "[ . 1 . 2]" 1 72 THR 0.326 0.061 18 0 "[ . 1 . 2]" 1 73 TYR 0.136 0.042 18 0 "[ . 1 . 2]" 1 74 THR 0.065 0.017 6 0 "[ . 1 . 2]" 1 75 PRO 0.069 0.008 5 0 "[ . 1 . 2]" 1 76 SER 0.002 0.002 7 0 "[ . 1 . 2]" 1 77 GLN 0.014 0.009 18 0 "[ . 1 . 2]" 1 78 GLU 0.025 0.004 18 0 "[ . 1 . 2]" 1 79 GLY 0.007 0.004 4 0 "[ . 1 . 2]" 1 80 PRO 0.027 0.013 11 0 "[ . 1 . 2]" 1 81 TYR 0.125 0.013 11 0 "[ . 1 . 2]" 1 82 MET 0.240 0.028 14 0 "[ . 1 . 2]" 1 83 VAL 0.087 0.011 10 0 "[ . 1 . 2]" 1 84 SER 0.053 0.017 11 0 "[ . 1 . 2]" 1 85 VAL 0.031 0.006 10 0 "[ . 1 . 2]" 1 86 LYS 1.331 0.056 14 0 "[ . 1 . 2]" 1 87 TYR 0.979 0.056 14 0 "[ . 1 . 2]" 1 88 ALA 0.131 0.014 10 0 "[ . 1 . 2]" 1 89 ASP 0.217 0.033 11 0 "[ . 1 . 2]" 1 90 GLU 1.532 0.073 20 0 "[ . 1 . 2]" 1 91 GLU 1.861 0.073 20 0 "[ . 1 . 2]" 1 92 ILE 0.694 0.033 1 0 "[ . 1 . 2]" 1 93 PRO 0.592 0.083 20 0 "[ . 1 . 2]" 1 94 ARG 0.231 0.083 20 0 "[ . 1 . 2]" 1 95 SER 0.916 0.029 11 0 "[ . 1 . 2]" 1 96 PRO 0.056 0.007 2 0 "[ . 1 . 2]" 1 97 PHE 0.439 0.054 20 0 "[ . 1 . 2]" 1 98 LYS 0.125 0.034 17 0 "[ . 1 . 2]" 1 99 VAL 0.077 0.034 17 0 "[ . 1 . 2]" 1 100 LYS 0.004 0.003 17 0 "[ . 1 . 2]" 1 101 VAL 0.032 0.007 17 0 "[ . 1 . 2]" 1 102 LEU 0.005 0.002 17 0 "[ . 1 . 2]" 1 103 PRO 0.018 0.008 17 0 "[ . 1 . 2]" 1 104 THR 0.019 0.008 17 0 "[ . 1 . 2]" 1 105 TYR 0.091 0.052 17 0 "[ . 1 . 2]" 1 106 ASP 0.206 0.052 17 0 "[ . 1 . 2]" 1 107 ALA 0.074 0.023 15 0 "[ . 1 . 2]" 1 108 SER 0.000 0.000 . 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 6 SER HA 1 7 GLY QA . . 4.550 3.975 3.894 4.236 . 0 0 "[ . 1 . 2]" 1 2 1 7 GLY H 1 8 VAL H . . 3.690 2.928 2.142 3.613 . 0 0 "[ . 1 . 2]" 1 3 1 7 GLY H 1 8 VAL QG . . 4.110 3.715 3.145 4.103 . 0 0 "[ . 1 . 2]" 1 4 1 7 GLY QA 1 8 VAL H . . 2.820 2.434 2.136 2.701 . 0 0 "[ . 1 . 2]" 1 5 1 8 VAL H 1 8 VAL HB . . 3.770 3.066 2.398 3.763 . 0 0 "[ . 1 . 2]" 1 6 1 8 VAL H 1 8 VAL MG1 . . 3.940 2.307 2.004 3.759 . 0 0 "[ . 1 . 2]" 1 7 1 8 VAL H 1 8 VAL QG . . 2.890 2.107 1.838 2.497 . 0 0 "[ . 1 . 2]" 1 8 1 8 VAL H 1 8 VAL MG2 . . 3.940 3.396 1.926 3.914 . 0 0 "[ . 1 . 2]" 1 9 1 8 VAL H 1 9 VAL H . . 4.800 4.526 4.351 4.647 . 0 0 "[ . 1 . 2]" 1 10 1 8 VAL HA 1 8 VAL MG1 . . 3.220 2.973 2.249 3.205 . 0 0 "[ . 1 . 2]" 1 11 1 8 VAL HA 1 8 VAL MG2 . . 3.220 2.480 2.187 3.203 . 0 0 "[ . 1 . 2]" 1 12 1 8 VAL HA 1 9 VAL H . . 2.470 2.280 2.180 2.419 . 0 0 "[ . 1 . 2]" 1 13 1 8 VAL HA 1 9 VAL HA . . 4.520 4.375 4.355 4.423 . 0 0 "[ . 1 . 2]" 1 14 1 8 VAL HA 1 9 VAL HB . . 4.720 4.556 4.464 4.650 . 0 0 "[ . 1 . 2]" 1 15 1 8 VAL HB 1 9 VAL H . . 4.080 3.683 2.347 4.066 . 0 0 "[ . 1 . 2]" 1 16 1 8 VAL QG 1 9 VAL H . . 4.550 2.237 1.831 3.305 . 0 0 "[ . 1 . 2]" 1 17 1 8 VAL QG 1 10 ASP QB . . 4.020 3.719 3.161 4.027 0.007 10 0 "[ . 1 . 2]" 1 18 1 9 VAL H 1 9 VAL HB . . 2.820 2.476 2.377 2.593 . 0 0 "[ . 1 . 2]" 1 19 1 9 VAL H 1 9 VAL MG1 . . 3.870 3.770 3.719 3.816 . 0 0 "[ . 1 . 2]" 1 20 1 9 VAL H 1 9 VAL MG2 . . 3.020 2.710 2.423 2.894 . 0 0 "[ . 1 . 2]" 1 21 1 9 VAL H 1 10 ASP H . . 4.490 4.464 4.396 4.506 0.016 19 0 "[ . 1 . 2]" 1 22 1 9 VAL HA 1 9 VAL MG1 . . 3.360 2.405 2.369 2.464 . 0 0 "[ . 1 . 2]" 1 23 1 9 VAL HA 1 9 VAL MG2 . . 3.190 2.325 2.191 2.389 . 0 0 "[ . 1 . 2]" 1 24 1 9 VAL HA 1 10 ASP H . . 2.710 2.165 2.144 2.185 . 0 0 "[ . 1 . 2]" 1 25 1 9 VAL HA 1 10 ASP HA . . 5.130 4.406 4.394 4.414 . 0 0 "[ . 1 . 2]" 1 26 1 9 VAL HA 1 41 GLY HA2 . . 4.460 4.407 4.298 4.459 . 0 0 "[ . 1 . 2]" 1 27 1 9 VAL HA 1 41 GLY HA3 . . 3.770 3.012 2.902 3.144 . 0 0 "[ . 1 . 2]" 1 28 1 9 VAL HA 1 42 LEU H . . 4.450 4.298 4.114 4.454 0.004 6 0 "[ . 1 . 2]" 1 29 1 9 VAL HA 1 88 ALA MB . . 5.500 5.316 5.049 5.446 . 0 0 "[ . 1 . 2]" 1 30 1 9 VAL HB 1 10 ASP H . . 4.450 4.191 4.109 4.288 . 0 0 "[ . 1 . 2]" 1 31 1 9 VAL HB 1 11 PRO HD3 . . 4.910 4.087 3.923 4.229 . 0 0 "[ . 1 . 2]" 1 32 1 9 VAL HB 1 41 GLY HA3 . . 5.500 5.498 5.466 5.509 0.009 12 0 "[ . 1 . 2]" 1 33 1 9 VAL HB 1 88 ALA MB . . 4.340 3.846 3.571 4.085 . 0 0 "[ . 1 . 2]" 1 34 1 9 VAL MG1 1 10 ASP H . . 3.380 2.413 2.198 2.635 . 0 0 "[ . 1 . 2]" 1 35 1 9 VAL MG1 1 10 ASP HA . . 4.440 3.479 3.394 3.583 . 0 0 "[ . 1 . 2]" 1 36 1 9 VAL MG1 1 11 PRO HA . . 4.550 3.900 3.758 4.003 . 0 0 "[ . 1 . 2]" 1 37 1 9 VAL MG1 1 11 PRO HD2 . . 4.090 3.706 3.575 3.820 . 0 0 "[ . 1 . 2]" 1 38 1 9 VAL MG1 1 11 PRO HD3 . . 3.530 2.230 2.105 2.356 . 0 0 "[ . 1 . 2]" 1 39 1 9 VAL MG1 1 11 PRO HG2 . . 5.290 4.806 4.689 4.901 . 0 0 "[ . 1 . 2]" 1 40 1 9 VAL MG1 1 11 PRO HG3 . . 4.160 3.882 3.749 3.981 . 0 0 "[ . 1 . 2]" 1 41 1 9 VAL MG1 1 41 GLY HA2 . . 5.320 5.079 4.882 5.252 . 0 0 "[ . 1 . 2]" 1 42 1 9 VAL MG1 1 41 GLY HA3 . . 3.890 3.591 3.410 3.766 . 0 0 "[ . 1 . 2]" 1 43 1 9 VAL MG1 1 42 LEU H . . 4.980 4.211 4.025 4.366 . 0 0 "[ . 1 . 2]" 1 44 1 9 VAL MG1 1 87 TYR QE . . 3.550 2.752 2.517 2.983 . 0 0 "[ . 1 . 2]" 1 45 1 9 VAL MG2 1 10 ASP H . . 4.000 3.880 3.792 3.956 . 0 0 "[ . 1 . 2]" 1 46 1 9 VAL MG2 1 41 GLY H . . 5.500 5.462 5.381 5.505 0.005 17 0 "[ . 1 . 2]" 1 47 1 9 VAL MG2 1 41 GLY HA3 . . 3.430 3.093 2.953 3.289 . 0 0 "[ . 1 . 2]" 1 48 1 9 VAL MG2 1 42 LEU H . . 3.790 2.871 2.684 3.023 . 0 0 "[ . 1 . 2]" 1 49 1 9 VAL MG2 1 43 ALA H . . 3.580 3.185 2.982 3.412 . 0 0 "[ . 1 . 2]" 1 50 1 9 VAL MG2 1 87 TYR QE . . 4.180 4.062 3.908 4.183 0.003 12 0 "[ . 1 . 2]" 1 51 1 9 VAL MG2 1 88 ALA MB . . 3.750 3.328 2.970 3.506 . 0 0 "[ . 1 . 2]" 1 52 1 10 ASP H 1 10 ASP HB2 . . 3.800 2.706 2.519 2.899 . 0 0 "[ . 1 . 2]" 1 53 1 10 ASP H 1 10 ASP HB3 . . 3.800 3.425 2.851 3.805 0.005 18 0 "[ . 1 . 2]" 1 54 1 10 ASP H 1 11 PRO HD2 . . 4.780 4.433 4.395 4.500 . 0 0 "[ . 1 . 2]" 1 55 1 10 ASP H 1 11 PRO HD3 . . 4.090 3.875 3.809 3.994 . 0 0 "[ . 1 . 2]" 1 56 1 10 ASP H 1 13 LYS HB2 . . 4.800 4.800 4.736 4.815 0.015 14 0 "[ . 1 . 2]" 1 57 1 10 ASP H 1 40 ALA HA . . 3.500 3.051 2.912 3.219 . 0 0 "[ . 1 . 2]" 1 58 1 10 ASP H 1 40 ALA MB . . 3.780 3.459 3.177 3.627 . 0 0 "[ . 1 . 2]" 1 59 1 10 ASP H 1 41 GLY H . . 5.060 4.851 4.762 4.924 . 0 0 "[ . 1 . 2]" 1 60 1 10 ASP H 1 87 TYR QE . . 4.610 4.187 3.865 4.436 . 0 0 "[ . 1 . 2]" 1 61 1 10 ASP HA 1 11 PRO HB2 . . 5.470 5.464 5.457 5.469 . 0 0 "[ . 1 . 2]" 1 62 1 10 ASP HA 1 11 PRO HB3 . . 5.030 5.026 5.004 5.040 0.010 1 0 "[ . 1 . 2]" 1 63 1 10 ASP HA 1 11 PRO HD2 . . 3.070 1.918 1.914 1.922 . 0 0 "[ . 1 . 2]" 1 64 1 10 ASP HA 1 11 PRO HD3 . . 3.060 2.556 2.521 2.579 . 0 0 "[ . 1 . 2]" 1 65 1 10 ASP HA 1 11 PRO HG2 . . 4.380 4.116 4.114 4.117 . 0 0 "[ . 1 . 2]" 1 66 1 10 ASP HA 1 11 PRO HG3 . . 4.430 4.412 4.393 4.426 . 0 0 "[ . 1 . 2]" 1 67 1 10 ASP HA 1 12 SER H . . 3.940 3.266 3.251 3.294 . 0 0 "[ . 1 . 2]" 1 68 1 10 ASP QB 1 11 PRO HD2 . . 4.430 3.828 3.632 4.034 . 0 0 "[ . 1 . 2]" 1 69 1 10 ASP QB 1 11 PRO HD3 . . 4.590 4.444 4.393 4.490 . 0 0 "[ . 1 . 2]" 1 70 1 10 ASP QB 1 13 LYS H . . 3.810 3.362 3.051 3.566 . 0 0 "[ . 1 . 2]" 1 71 1 10 ASP QB 1 13 LYS HB2 . . 4.160 3.081 2.873 3.293 . 0 0 "[ . 1 . 2]" 1 72 1 10 ASP QB 1 13 LYS QD . . 3.710 3.356 3.024 3.582 . 0 0 "[ . 1 . 2]" 1 73 1 10 ASP QB 1 13 LYS HG2 . . 3.700 2.147 1.868 2.424 . 0 0 "[ . 1 . 2]" 1 74 1 10 ASP QB 1 13 LYS HG3 . . 3.620 2.071 1.943 2.706 . 0 0 "[ . 1 . 2]" 1 75 1 10 ASP QB 1 14 VAL H . . 5.340 5.032 4.897 5.170 . 0 0 "[ . 1 . 2]" 1 76 1 10 ASP QB 1 40 ALA HA . . 3.770 2.764 2.592 2.911 . 0 0 "[ . 1 . 2]" 1 77 1 10 ASP HB2 1 11 PRO HD2 . . 5.140 4.638 4.458 4.754 . 0 0 "[ . 1 . 2]" 1 78 1 10 ASP HB2 1 11 PRO HD3 . . 5.210 5.086 5.002 5.139 . 0 0 "[ . 1 . 2]" 1 79 1 10 ASP HB2 1 12 SER H . . 4.840 4.345 3.996 4.629 . 0 0 "[ . 1 . 2]" 1 80 1 10 ASP HB2 1 13 LYS HB2 . . 4.930 3.929 3.177 4.838 . 0 0 "[ . 1 . 2]" 1 81 1 10 ASP HB2 1 40 ALA HA . . 4.550 3.351 2.632 4.266 . 0 0 "[ . 1 . 2]" 1 82 1 10 ASP HB3 1 11 PRO HD2 . . 5.140 4.129 3.779 4.596 . 0 0 "[ . 1 . 2]" 1 83 1 10 ASP HB3 1 11 PRO HD3 . . 5.210 4.911 4.776 5.075 . 0 0 "[ . 1 . 2]" 1 84 1 10 ASP HB3 1 12 SER H . . 4.840 3.154 2.815 3.678 . 0 0 "[ . 1 . 2]" 1 85 1 10 ASP HB3 1 13 LYS HB2 . . 4.930 3.443 2.902 4.079 . 0 0 "[ . 1 . 2]" 1 86 1 10 ASP HB3 1 40 ALA HA . . 4.550 3.422 2.677 4.018 . 0 0 "[ . 1 . 2]" 1 87 1 11 PRO HA 1 13 LYS H . . 4.010 3.530 3.457 3.700 . 0 0 "[ . 1 . 2]" 1 88 1 11 PRO HA 1 14 VAL H . . 4.240 3.756 3.684 3.848 . 0 0 "[ . 1 . 2]" 1 89 1 11 PRO HA 1 14 VAL HB . . 4.200 4.091 3.901 4.199 . 0 0 "[ . 1 . 2]" 1 90 1 11 PRO HA 1 14 VAL MG1 . . 3.150 2.380 2.151 2.619 . 0 0 "[ . 1 . 2]" 1 91 1 11 PRO HA 1 14 VAL MG2 . . 5.220 4.876 4.710 5.032 . 0 0 "[ . 1 . 2]" 1 92 1 11 PRO HA 1 40 ALA MB . . 3.630 2.882 2.700 3.054 . 0 0 "[ . 1 . 2]" 1 93 1 11 PRO HA 1 87 TYR HB2 . . 4.230 3.947 3.726 4.175 . 0 0 "[ . 1 . 2]" 1 94 1 11 PRO HA 1 87 TYR HB3 . . 3.860 2.854 2.648 3.046 . 0 0 "[ . 1 . 2]" 1 95 1 11 PRO HA 1 87 TYR QD . . 3.540 2.542 2.289 2.772 . 0 0 "[ . 1 . 2]" 1 96 1 11 PRO HA 1 88 ALA MB . . 4.940 4.841 4.708 4.932 . 0 0 "[ . 1 . 2]" 1 97 1 11 PRO HA 1 92 ILE MG . . 3.870 3.405 3.258 3.501 . 0 0 "[ . 1 . 2]" 1 98 1 11 PRO HB2 1 12 SER H . . 4.140 3.924 3.891 3.980 . 0 0 "[ . 1 . 2]" 1 99 1 11 PRO HB2 1 13 LYS H . . 5.360 5.127 5.053 5.279 . 0 0 "[ . 1 . 2]" 1 100 1 11 PRO HB2 1 14 VAL MG1 . . 4.610 3.725 3.572 3.856 . 0 0 "[ . 1 . 2]" 1 101 1 11 PRO HB2 1 87 TYR H . . 4.910 4.652 4.454 4.891 . 0 0 "[ . 1 . 2]" 1 102 1 11 PRO HB2 1 87 TYR HB2 . . 5.160 4.207 3.965 4.471 . 0 0 "[ . 1 . 2]" 1 103 1 11 PRO HB2 1 87 TYR HB3 . . 4.720 3.053 2.802 3.242 . 0 0 "[ . 1 . 2]" 1 104 1 11 PRO HB2 1 88 ALA MB . . 5.360 5.056 4.933 5.256 . 0 0 "[ . 1 . 2]" 1 105 1 11 PRO HB2 1 92 ILE HA . . 4.520 2.971 2.806 3.074 . 0 0 "[ . 1 . 2]" 1 106 1 11 PRO HB2 1 92 ILE MG . . 3.340 2.999 2.821 3.149 . 0 0 "[ . 1 . 2]" 1 107 1 11 PRO HB2 1 93 PRO HD2 . . 5.220 4.362 4.140 4.576 . 0 0 "[ . 1 . 2]" 1 108 1 11 PRO HB3 1 12 SER H . . 4.540 4.481 4.463 4.513 . 0 0 "[ . 1 . 2]" 1 109 1 11 PRO HB3 1 14 VAL MG1 . . 4.500 3.944 3.790 4.104 . 0 0 "[ . 1 . 2]" 1 110 1 11 PRO HB3 1 87 TYR H . . 4.960 4.302 4.138 4.546 . 0 0 "[ . 1 . 2]" 1 111 1 11 PRO HB3 1 87 TYR QD . . 4.450 2.750 2.572 2.958 . 0 0 "[ . 1 . 2]" 1 112 1 11 PRO HB3 1 88 ALA MB . . 4.280 3.630 3.512 3.808 . 0 0 "[ . 1 . 2]" 1 113 1 11 PRO HB3 1 90 GLU HB2 . . 4.160 2.715 2.441 2.963 . 0 0 "[ . 1 . 2]" 1 114 1 11 PRO HB3 1 90 GLU HB3 . . 4.360 3.803 3.534 4.064 . 0 0 "[ . 1 . 2]" 1 115 1 11 PRO HB3 1 92 ILE HA . . 4.670 4.580 4.382 4.675 0.005 13 0 "[ . 1 . 2]" 1 116 1 11 PRO HB3 1 92 ILE MG . . 3.850 3.701 3.494 3.840 . 0 0 "[ . 1 . 2]" 1 117 1 11 PRO HD2 1 12 SER H . . 3.180 2.975 2.935 3.048 . 0 0 "[ . 1 . 2]" 1 118 1 11 PRO HD2 1 13 LYS HG2 . . 5.500 5.461 5.292 5.512 0.012 14 0 "[ . 1 . 2]" 1 119 1 11 PRO HD2 1 88 ALA MB . . 5.490 5.356 5.160 5.493 0.003 2 0 "[ . 1 . 2]" 1 120 1 11 PRO HD3 1 12 SER H . . 4.260 4.015 3.994 4.054 . 0 0 "[ . 1 . 2]" 1 121 1 11 PRO HD3 1 88 ALA MB . . 4.390 3.910 3.717 4.055 . 0 0 "[ . 1 . 2]" 1 122 1 11 PRO HG2 1 12 SER H . . 4.560 3.270 3.209 3.375 . 0 0 "[ . 1 . 2]" 1 123 1 11 PRO HG2 1 87 TYR QD . . 5.500 5.359 5.152 5.505 0.005 4 0 "[ . 1 . 2]" 1 124 1 11 PRO HG2 1 90 GLU HB3 . . 3.820 3.328 2.987 3.474 . 0 0 "[ . 1 . 2]" 1 125 1 11 PRO HG3 1 12 SER H . . 4.860 4.558 4.512 4.639 . 0 0 "[ . 1 . 2]" 1 126 1 11 PRO HG3 1 87 TYR HB3 . . 5.110 4.390 4.206 4.599 . 0 0 "[ . 1 . 2]" 1 127 1 11 PRO HG3 1 87 TYR QD . . 4.880 4.664 4.513 4.816 . 0 0 "[ . 1 . 2]" 1 128 1 11 PRO HG3 1 88 ALA MB . . 4.160 4.018 3.801 4.163 0.003 14 0 "[ . 1 . 2]" 1 129 1 12 SER H 1 12 SER HB2 . . 3.800 2.993 2.374 3.705 . 0 0 "[ . 1 . 2]" 1 130 1 12 SER H 1 12 SER QB . . 3.220 2.553 2.344 2.846 . 0 0 "[ . 1 . 2]" 1 131 1 12 SER H 1 12 SER HB3 . . 3.800 3.294 2.663 3.701 . 0 0 "[ . 1 . 2]" 1 132 1 12 SER H 1 13 LYS H . . 3.110 2.378 2.214 2.536 . 0 0 "[ . 1 . 2]" 1 133 1 12 SER H 1 13 LYS HA . . 4.880 4.846 4.779 4.880 0.000 17 0 "[ . 1 . 2]" 1 134 1 12 SER H 1 13 LYS HB2 . . 4.620 4.516 4.485 4.562 . 0 0 "[ . 1 . 2]" 1 135 1 12 SER H 1 13 LYS HG2 . . 4.860 3.275 3.194 3.399 . 0 0 "[ . 1 . 2]" 1 136 1 12 SER H 1 13 LYS HG3 . . 5.170 4.626 4.390 5.160 . 0 0 "[ . 1 . 2]" 1 137 1 12 SER H 1 14 VAL H . . 4.420 4.067 3.932 4.203 . 0 0 "[ . 1 . 2]" 1 138 1 12 SER H 1 14 VAL MG1 . . 5.010 4.074 3.921 4.218 . 0 0 "[ . 1 . 2]" 1 139 1 12 SER H 1 40 ALA MB . . 4.980 4.437 4.248 4.575 . 0 0 "[ . 1 . 2]" 1 140 1 12 SER HA 1 14 VAL H . . 4.570 3.753 3.598 3.810 . 0 0 "[ . 1 . 2]" 1 141 1 12 SER HA 1 92 ILE HB . . 4.530 4.194 4.033 4.303 . 0 0 "[ . 1 . 2]" 1 142 1 12 SER HA 1 93 PRO HB3 . . 4.460 4.223 4.145 4.316 . 0 0 "[ . 1 . 2]" 1 143 1 12 SER HA 1 93 PRO HD2 . . 3.520 2.451 2.312 2.566 . 0 0 "[ . 1 . 2]" 1 144 1 12 SER HA 1 93 PRO HD3 . . 3.630 2.347 2.239 2.452 . 0 0 "[ . 1 . 2]" 1 145 1 12 SER HA 1 93 PRO HG2 . . 3.550 3.008 2.826 3.189 . 0 0 "[ . 1 . 2]" 1 146 1 12 SER HA 1 93 PRO HG3 . . 3.590 2.144 2.015 2.316 . 0 0 "[ . 1 . 2]" 1 147 1 12 SER QB 1 93 PRO HB3 . . 4.770 3.924 3.512 4.321 . 0 0 "[ . 1 . 2]" 1 148 1 12 SER QB 1 93 PRO HD3 . . 5.270 3.468 2.955 3.857 . 0 0 "[ . 1 . 2]" 1 149 1 12 SER QB 1 93 PRO HG2 . . 4.130 3.787 3.568 4.071 . 0 0 "[ . 1 . 2]" 1 150 1 12 SER QB 1 93 PRO HG3 . . 3.790 2.334 2.041 2.648 . 0 0 "[ . 1 . 2]" 1 151 1 12 SER HB2 1 13 LYS H . . 4.540 3.971 3.420 4.518 . 0 0 "[ . 1 . 2]" 1 152 1 12 SER HB2 1 93 PRO HG3 . . 4.510 3.257 2.073 4.098 . 0 0 "[ . 1 . 2]" 1 153 1 12 SER HB3 1 13 LYS H . . 4.540 4.356 4.107 4.508 . 0 0 "[ . 1 . 2]" 1 154 1 12 SER HB3 1 93 PRO HG3 . . 4.510 2.709 2.188 3.253 . 0 0 "[ . 1 . 2]" 1 155 1 13 LYS H 1 13 LYS HB2 . . 2.970 2.655 2.566 2.706 . 0 0 "[ . 1 . 2]" 1 156 1 13 LYS H 1 13 LYS HB3 . . 3.820 3.741 3.665 3.791 . 0 0 "[ . 1 . 2]" 1 157 1 13 LYS H 1 13 LYS QE . . 4.370 3.831 3.431 4.391 0.021 20 0 "[ . 1 . 2]" 1 158 1 13 LYS H 1 13 LYS HG2 . . 3.400 2.567 2.364 2.741 . 0 0 "[ . 1 . 2]" 1 159 1 13 LYS H 1 13 LYS HG3 . . 3.880 3.743 3.591 3.903 0.023 20 0 "[ . 1 . 2]" 1 160 1 13 LYS H 1 14 VAL H . . 2.920 2.036 1.893 2.295 . 0 0 "[ . 1 . 2]" 1 161 1 13 LYS H 1 14 VAL HA . . 5.030 4.639 4.519 4.835 . 0 0 "[ . 1 . 2]" 1 162 1 13 LYS H 1 14 VAL HB . . 4.590 4.458 4.332 4.617 0.027 20 0 "[ . 1 . 2]" 1 163 1 13 LYS H 1 14 VAL MG1 . . 3.900 3.055 2.897 3.475 . 0 0 "[ . 1 . 2]" 1 164 1 13 LYS H 1 40 ALA MB . . 3.430 3.227 3.057 3.413 . 0 0 "[ . 1 . 2]" 1 165 1 13 LYS HA 1 13 LYS QD . . 3.370 2.888 2.065 3.358 . 0 0 "[ . 1 . 2]" 1 166 1 13 LYS HA 1 13 LYS QE . . 4.010 2.048 1.971 2.471 . 0 0 "[ . 1 . 2]" 1 167 1 13 LYS HA 1 13 LYS HG2 . . 3.340 2.973 2.850 3.365 0.025 20 0 "[ . 1 . 2]" 1 168 1 13 LYS HA 1 13 LYS HG3 . . 3.850 3.846 3.736 3.874 0.024 16 0 "[ . 1 . 2]" 1 169 1 13 LYS HA 1 14 VAL H . . 3.550 3.332 3.306 3.366 . 0 0 "[ . 1 . 2]" 1 170 1 13 LYS HB2 1 13 LYS QE . . 4.490 3.731 3.245 3.910 . 0 0 "[ . 1 . 2]" 1 171 1 13 LYS HB2 1 13 LYS HG3 . . 2.860 2.312 2.260 2.511 . 0 0 "[ . 1 . 2]" 1 172 1 13 LYS HB2 1 14 VAL H . . 3.830 3.380 3.290 3.444 . 0 0 "[ . 1 . 2]" 1 173 1 13 LYS HB2 1 39 LYS H . . 4.970 4.718 4.303 4.853 . 0 0 "[ . 1 . 2]" 1 174 1 13 LYS HB2 1 39 LYS HA . . 4.950 4.612 4.355 4.719 . 0 0 "[ . 1 . 2]" 1 175 1 13 LYS HB2 1 39 LYS HB3 . . 3.440 3.335 3.170 3.447 0.007 5 0 "[ . 1 . 2]" 1 176 1 13 LYS HB2 1 40 ALA H . . 4.040 3.437 3.198 3.658 . 0 0 "[ . 1 . 2]" 1 177 1 13 LYS HB2 1 40 ALA HA . . 3.320 2.139 2.041 2.249 . 0 0 "[ . 1 . 2]" 1 178 1 13 LYS HB2 1 40 ALA MB . . 3.400 2.939 2.799 3.071 . 0 0 "[ . 1 . 2]" 1 179 1 13 LYS HB2 1 41 GLY H . . 5.150 5.103 4.837 5.155 0.005 18 0 "[ . 1 . 2]" 1 180 1 13 LYS HB3 1 13 LYS QD . . 3.570 2.290 2.066 3.039 . 0 0 "[ . 1 . 2]" 1 181 1 13 LYS HB3 1 13 LYS QE . . 4.020 2.885 1.908 3.276 . 0 0 "[ . 1 . 2]" 1 182 1 13 LYS HB3 1 14 VAL H . . 4.280 4.275 4.222 4.291 0.011 10 0 "[ . 1 . 2]" 1 183 1 13 LYS HB3 1 39 LYS H . . 4.970 4.652 4.076 4.843 . 0 0 "[ . 1 . 2]" 1 184 1 13 LYS HB3 1 39 LYS HA . . 4.970 4.379 4.025 4.603 . 0 0 "[ . 1 . 2]" 1 185 1 13 LYS HB3 1 39 LYS HB2 . . 3.550 2.472 1.996 2.639 . 0 0 "[ . 1 . 2]" 1 186 1 13 LYS HB3 1 40 ALA H . . 4.870 4.275 3.991 4.476 . 0 0 "[ . 1 . 2]" 1 187 1 13 LYS HB3 1 40 ALA HA . . 3.890 3.765 3.678 3.885 . 0 0 "[ . 1 . 2]" 1 188 1 13 LYS HB3 1 40 ALA MB . . 4.360 4.273 4.121 4.366 0.006 13 0 "[ . 1 . 2]" 1 189 1 13 LYS QD 1 39 LYS HB3 . . 4.220 3.381 3.042 4.233 0.013 20 0 "[ . 1 . 2]" 1 190 1 13 LYS QE 1 13 LYS HG2 . . 3.260 2.406 2.076 3.397 0.137 20 0 "[ . 1 . 2]" 1 191 1 13 LYS QE 1 13 LYS HG3 . . 3.500 3.110 2.519 3.449 . 0 0 "[ . 1 . 2]" 1 192 1 13 LYS QE 1 14 VAL H . . 5.500 4.841 4.664 5.237 . 0 0 "[ . 1 . 2]" 1 193 1 13 LYS QE 1 39 LYS HB2 . . 5.300 4.844 3.155 5.308 0.008 4 0 "[ . 1 . 2]" 1 194 1 13 LYS QE 1 39 LYS HB3 . . 5.100 4.383 2.310 5.074 . 0 0 "[ . 1 . 2]" 1 195 1 13 LYS HG2 1 14 VAL H . . 4.670 4.355 4.287 4.443 . 0 0 "[ . 1 . 2]" 1 196 1 13 LYS HG2 1 39 LYS HB2 . . 5.470 5.347 4.881 5.480 0.010 12 0 "[ . 1 . 2]" 1 197 1 13 LYS HG2 1 39 LYS HB3 . . 5.390 4.897 4.330 5.093 . 0 0 "[ . 1 . 2]" 1 198 1 13 LYS HG2 1 40 ALA HA . . 4.580 3.849 3.165 4.088 . 0 0 "[ . 1 . 2]" 1 199 1 13 LYS HG3 1 14 VAL H . . 5.500 5.244 5.123 5.494 . 0 0 "[ . 1 . 2]" 1 200 1 13 LYS HG3 1 39 LYS HB3 . . 4.030 3.760 2.895 4.028 . 0 0 "[ . 1 . 2]" 1 201 1 13 LYS HG3 1 40 ALA HA . . 4.120 3.287 3.095 3.564 . 0 0 "[ . 1 . 2]" 1 202 1 14 VAL H 1 14 VAL HB . . 3.020 2.919 2.789 2.983 . 0 0 "[ . 1 . 2]" 1 203 1 14 VAL H 1 14 VAL MG1 . . 2.960 1.892 1.829 1.981 . 0 0 "[ . 1 . 2]" 1 204 1 14 VAL H 1 14 VAL MG2 . . 3.900 3.738 3.701 3.777 . 0 0 "[ . 1 . 2]" 1 205 1 14 VAL H 1 15 LYS H . . 4.650 4.511 4.465 4.561 . 0 0 "[ . 1 . 2]" 1 206 1 14 VAL H 1 40 ALA HA . . 4.330 4.242 4.072 4.337 0.007 11 0 "[ . 1 . 2]" 1 207 1 14 VAL H 1 40 ALA MB . . 3.790 2.849 2.667 3.035 . 0 0 "[ . 1 . 2]" 1 208 1 14 VAL H 1 92 ILE HB . . 4.970 4.942 4.868 4.977 0.007 14 0 "[ . 1 . 2]" 1 209 1 14 VAL H 1 92 ILE MD . . 5.500 5.374 5.270 5.463 . 0 0 "[ . 1 . 2]" 1 210 1 14 VAL H 1 92 ILE MG . . 4.310 4.019 3.864 4.147 . 0 0 "[ . 1 . 2]" 1 211 1 14 VAL H 1 93 PRO HD2 . . 4.660 4.539 4.489 4.599 . 0 0 "[ . 1 . 2]" 1 212 1 14 VAL H 1 93 PRO HD3 . . 5.500 5.499 5.466 5.509 0.009 15 0 "[ . 1 . 2]" 1 213 1 14 VAL HA 1 14 VAL MG1 . . 3.360 3.184 3.171 3.202 . 0 0 "[ . 1 . 2]" 1 214 1 14 VAL HA 1 14 VAL MG2 . . 3.280 2.432 2.328 2.502 . 0 0 "[ . 1 . 2]" 1 215 1 14 VAL HA 1 15 LYS H . . 2.660 2.157 2.140 2.180 . 0 0 "[ . 1 . 2]" 1 216 1 14 VAL HA 1 15 LYS QB . . 4.500 4.343 4.127 4.442 . 0 0 "[ . 1 . 2]" 1 217 1 14 VAL HA 1 15 LYS QG . . 4.730 3.890 3.564 4.340 . 0 0 "[ . 1 . 2]" 1 218 1 14 VAL HA 1 35 VAL MG1 . . 4.830 4.687 4.506 4.827 . 0 0 "[ . 1 . 2]" 1 219 1 14 VAL HA 1 36 ASP HB3 . . 4.990 4.525 4.204 4.657 . 0 0 "[ . 1 . 2]" 1 220 1 14 VAL HA 1 37 SER HA . . 3.680 2.474 2.289 2.659 . 0 0 "[ . 1 . 2]" 1 221 1 14 VAL HA 1 37 SER HB2 . . 5.110 4.365 4.091 4.653 . 0 0 "[ . 1 . 2]" 1 222 1 14 VAL HA 1 40 ALA H . . 5.270 4.062 3.820 4.309 . 0 0 "[ . 1 . 2]" 1 223 1 14 VAL HA 1 40 ALA MB . . 3.970 3.156 2.907 3.310 . 0 0 "[ . 1 . 2]" 1 224 1 14 VAL HB 1 15 LYS H . . 4.130 4.071 3.983 4.143 0.013 20 0 "[ . 1 . 2]" 1 225 1 14 VAL HB 1 37 SER HA . . 4.760 2.555 2.393 2.677 . 0 0 "[ . 1 . 2]" 1 226 1 14 VAL HB 1 37 SER HB3 . . 4.820 3.252 3.003 3.577 . 0 0 "[ . 1 . 2]" 1 227 1 14 VAL HB 1 40 ALA MB . . 4.330 2.092 1.958 2.233 . 0 0 "[ . 1 . 2]" 1 228 1 14 VAL HB 1 92 ILE MG . . 4.140 4.049 3.932 4.123 . 0 0 "[ . 1 . 2]" 1 229 1 14 VAL MG1 1 15 LYS H . . 4.340 4.117 3.961 4.229 . 0 0 "[ . 1 . 2]" 1 230 1 14 VAL MG1 1 37 SER HA . . 4.250 4.157 4.037 4.253 0.003 13 0 "[ . 1 . 2]" 1 231 1 14 VAL MG1 1 37 SER HB2 . . 4.420 4.151 3.863 4.400 . 0 0 "[ . 1 . 2]" 1 232 1 14 VAL MG1 1 37 SER HB3 . . 4.470 4.277 4.066 4.436 . 0 0 "[ . 1 . 2]" 1 233 1 14 VAL MG1 1 40 ALA H . . 5.380 5.083 4.917 5.295 . 0 0 "[ . 1 . 2]" 1 234 1 14 VAL MG1 1 40 ALA HA . . 5.020 4.472 4.197 4.695 . 0 0 "[ . 1 . 2]" 1 235 1 14 VAL MG1 1 40 ALA MB . . 3.030 2.617 2.316 2.802 . 0 0 "[ . 1 . 2]" 1 236 1 14 VAL MG1 1 87 TYR H . . 5.500 5.255 5.089 5.408 . 0 0 "[ . 1 . 2]" 1 237 1 14 VAL MG1 1 87 TYR HA . . 5.050 4.940 4.797 5.057 0.007 5 0 "[ . 1 . 2]" 1 238 1 14 VAL MG1 1 87 TYR HB2 . . 3.730 2.770 2.595 2.991 . 0 0 "[ . 1 . 2]" 1 239 1 14 VAL MG1 1 87 TYR HB3 . . 3.810 3.256 3.054 3.371 . 0 0 "[ . 1 . 2]" 1 240 1 14 VAL MG1 1 87 TYR QD . . 3.610 3.337 3.233 3.428 . 0 0 "[ . 1 . 2]" 1 241 1 14 VAL MG1 1 87 TYR QE . . 4.740 4.192 4.077 4.286 . 0 0 "[ . 1 . 2]" 1 242 1 14 VAL MG1 1 92 ILE HA . . 3.950 3.844 3.764 3.922 . 0 0 "[ . 1 . 2]" 1 243 1 14 VAL MG1 1 92 ILE HB . . 4.420 2.883 2.733 3.025 . 0 0 "[ . 1 . 2]" 1 244 1 14 VAL MG1 1 92 ILE MG . . 3.330 1.785 1.719 1.851 . 0 0 "[ . 1 . 2]" 1 245 1 14 VAL MG2 1 15 LYS H . . 3.180 2.479 2.185 2.751 . 0 0 "[ . 1 . 2]" 1 246 1 14 VAL MG2 1 15 LYS HA . . 4.240 3.484 3.373 3.614 . 0 0 "[ . 1 . 2]" 1 247 1 14 VAL MG2 1 16 ILE H . . 4.990 4.851 4.759 4.951 . 0 0 "[ . 1 . 2]" 1 248 1 14 VAL MG2 1 16 ILE MG . . 4.740 2.987 2.904 3.147 . 0 0 "[ . 1 . 2]" 1 249 1 14 VAL MG2 1 35 VAL HA . . 4.700 4.212 4.083 4.361 . 0 0 "[ . 1 . 2]" 1 250 1 14 VAL MG2 1 35 VAL MG1 . . 2.820 2.296 2.127 2.376 . 0 0 "[ . 1 . 2]" 1 251 1 14 VAL MG2 1 36 ASP H . . 4.240 3.821 3.669 4.017 . 0 0 "[ . 1 . 2]" 1 252 1 14 VAL MG2 1 37 SER H . . 4.870 3.912 3.768 4.057 . 0 0 "[ . 1 . 2]" 1 253 1 14 VAL MG2 1 37 SER HA . . 3.880 2.616 2.331 2.764 . 0 0 "[ . 1 . 2]" 1 254 1 14 VAL MG2 1 37 SER HB2 . . 4.140 2.978 2.542 3.323 . 0 0 "[ . 1 . 2]" 1 255 1 14 VAL MG2 1 37 SER HB3 . . 4.510 2.213 2.002 2.518 . 0 0 "[ . 1 . 2]" 1 256 1 14 VAL MG2 1 40 ALA MB . . 4.040 3.422 3.231 3.568 . 0 0 "[ . 1 . 2]" 1 257 1 14 VAL MG2 1 87 TYR HB2 . . 4.470 3.940 3.659 4.154 . 0 0 "[ . 1 . 2]" 1 258 1 14 VAL MG2 1 87 TYR HB3 . . 5.220 4.910 4.640 5.065 . 0 0 "[ . 1 . 2]" 1 259 1 14 VAL MG2 1 87 TYR QD . . 5.090 3.483 3.218 3.761 . 0 0 "[ . 1 . 2]" 1 260 1 14 VAL MG2 1 87 TYR QE . . 5.500 3.704 3.461 3.961 . 0 0 "[ . 1 . 2]" 1 261 1 14 VAL MG2 1 92 ILE HB . . 4.620 4.438 4.311 4.586 . 0 0 "[ . 1 . 2]" 1 262 1 14 VAL MG2 1 92 ILE MD . . 3.480 3.249 3.048 3.447 . 0 0 "[ . 1 . 2]" 1 263 1 14 VAL MG2 1 92 ILE MG . . 3.200 2.933 2.782 3.183 . 0 0 "[ . 1 . 2]" 1 264 1 15 LYS H 1 15 LYS HB2 . . 3.920 2.642 2.449 2.757 . 0 0 "[ . 1 . 2]" 1 265 1 15 LYS H 1 15 LYS QB . . 3.200 2.593 2.413 2.698 . 0 0 "[ . 1 . 2]" 1 266 1 15 LYS H 1 15 LYS HB3 . . 3.920 3.767 3.644 3.842 . 0 0 "[ . 1 . 2]" 1 267 1 15 LYS H 1 15 LYS HG2 . . 4.450 4.096 3.597 4.418 . 0 0 "[ . 1 . 2]" 1 268 1 15 LYS H 1 15 LYS QG . . 3.670 3.055 2.765 3.466 . 0 0 "[ . 1 . 2]" 1 269 1 15 LYS H 1 15 LYS HG3 . . 4.450 3.227 2.817 4.389 . 0 0 "[ . 1 . 2]" 1 270 1 15 LYS H 1 16 ILE H . . 4.580 4.455 4.428 4.483 . 0 0 "[ . 1 . 2]" 1 271 1 15 LYS H 1 35 VAL MG1 . . 4.160 4.032 3.870 4.152 . 0 0 "[ . 1 . 2]" 1 272 1 15 LYS H 1 36 ASP H . . 3.800 3.641 3.450 3.794 . 0 0 "[ . 1 . 2]" 1 273 1 15 LYS H 1 36 ASP HB2 . . 4.770 4.694 4.478 4.772 0.002 15 0 "[ . 1 . 2]" 1 274 1 15 LYS H 1 36 ASP HB3 . . 3.730 3.065 2.836 3.152 . 0 0 "[ . 1 . 2]" 1 275 1 15 LYS H 1 37 SER HA . . 4.000 3.712 3.544 3.935 . 0 0 "[ . 1 . 2]" 1 276 1 15 LYS H 1 40 ALA MB . . 5.160 4.966 4.793 5.116 . 0 0 "[ . 1 . 2]" 1 277 1 15 LYS HA 1 15 LYS HG2 . . 3.840 2.709 2.241 3.603 . 0 0 "[ . 1 . 2]" 1 278 1 15 LYS HA 1 15 LYS QG . . 3.360 2.437 2.200 2.541 . 0 0 "[ . 1 . 2]" 1 279 1 15 LYS HA 1 15 LYS HG3 . . 3.840 3.008 2.462 3.644 . 0 0 "[ . 1 . 2]" 1 280 1 15 LYS HA 1 16 ILE H . . 2.700 2.491 2.449 2.545 . 0 0 "[ . 1 . 2]" 1 281 1 15 LYS HA 1 16 ILE HA . . 4.600 4.515 4.496 4.539 . 0 0 "[ . 1 . 2]" 1 282 1 15 LYS HA 1 16 ILE HG12 . . 5.150 3.844 3.738 4.035 . 0 0 "[ . 1 . 2]" 1 283 1 15 LYS HA 1 16 ILE HG13 . . 5.500 5.271 5.142 5.492 . 0 0 "[ . 1 . 2]" 1 284 1 15 LYS HA 1 16 ILE MG . . 4.100 3.235 3.108 3.379 . 0 0 "[ . 1 . 2]" 1 285 1 15 LYS HA 1 92 ILE MD . . 4.580 3.996 3.708 4.258 . 0 0 "[ . 1 . 2]" 1 286 1 15 LYS QB 1 15 LYS QD . . 3.390 2.205 2.046 2.411 . 0 0 "[ . 1 . 2]" 1 287 1 15 LYS QB 1 15 LYS QE . . 3.460 2.533 2.000 3.459 . 0 0 "[ . 1 . 2]" 1 288 1 15 LYS QB 1 16 ILE H . . 3.040 2.230 2.144 2.309 . 0 0 "[ . 1 . 2]" 1 289 1 15 LYS QB 1 36 ASP H . . 4.190 4.043 3.964 4.141 . 0 0 "[ . 1 . 2]" 1 290 1 15 LYS QB 1 36 ASP HB2 . . 4.870 4.430 4.313 4.532 . 0 0 "[ . 1 . 2]" 1 291 1 15 LYS QB 1 36 ASP HB3 . . 3.450 3.110 3.039 3.217 . 0 0 "[ . 1 . 2]" 1 292 1 15 LYS HB2 1 15 LYS QE . . 3.960 2.941 2.025 3.934 . 0 0 "[ . 1 . 2]" 1 293 1 15 LYS HB2 1 16 ILE H . . 3.670 3.475 3.308 3.667 . 0 0 "[ . 1 . 2]" 1 294 1 15 LYS HB3 1 15 LYS QE . . 3.960 3.150 2.099 3.958 . 0 0 "[ . 1 . 2]" 1 295 1 15 LYS HB3 1 16 ILE H . . 3.670 2.257 2.160 2.346 . 0 0 "[ . 1 . 2]" 1 296 1 15 LYS QE 1 16 ILE H . . 5.500 4.918 3.223 5.463 . 0 0 "[ . 1 . 2]" 1 297 1 15 LYS QG 1 16 ILE H . . 3.890 3.809 3.565 3.891 0.001 17 0 "[ . 1 . 2]" 1 298 1 16 ILE H 1 16 ILE HB . . 3.940 3.928 3.897 3.949 0.009 11 0 "[ . 1 . 2]" 1 299 1 16 ILE H 1 16 ILE MD . . 4.340 4.064 3.995 4.114 . 0 0 "[ . 1 . 2]" 1 300 1 16 ILE H 1 16 ILE HG12 . . 3.640 2.478 2.379 2.557 . 0 0 "[ . 1 . 2]" 1 301 1 16 ILE H 1 16 ILE HG13 . . 3.880 3.233 3.078 3.425 . 0 0 "[ . 1 . 2]" 1 302 1 16 ILE H 1 16 ILE MG . . 3.390 2.962 2.822 3.016 . 0 0 "[ . 1 . 2]" 1 303 1 16 ILE H 1 35 VAL HA . . 4.940 4.853 4.759 4.928 . 0 0 "[ . 1 . 2]" 1 304 1 16 ILE H 1 36 ASP H . . 5.210 4.723 4.650 4.775 . 0 0 "[ . 1 . 2]" 1 305 1 16 ILE H 1 36 ASP HB3 . . 5.500 5.463 5.365 5.505 0.005 11 0 "[ . 1 . 2]" 1 306 1 16 ILE H 1 92 ILE MD . . 5.220 4.993 4.732 5.225 0.005 13 0 "[ . 1 . 2]" 1 307 1 16 ILE HA 1 16 ILE MD . . 4.210 4.169 4.154 4.178 . 0 0 "[ . 1 . 2]" 1 308 1 16 ILE HA 1 16 ILE HG13 . . 3.770 3.686 3.643 3.730 . 0 0 "[ . 1 . 2]" 1 309 1 16 ILE HA 1 16 ILE MG . . 3.520 2.417 2.367 2.479 . 0 0 "[ . 1 . 2]" 1 310 1 16 ILE HA 1 17 ALA H . . 2.610 2.182 2.170 2.203 . 0 0 "[ . 1 . 2]" 1 311 1 16 ILE HA 1 17 ALA MB . . 4.370 3.917 3.837 3.945 . 0 0 "[ . 1 . 2]" 1 312 1 16 ILE HA 1 21 LEU MD1 . . 5.030 3.981 3.814 4.158 . 0 0 "[ . 1 . 2]" 1 313 1 16 ILE HA 1 33 PHE QD . . 5.010 4.183 3.941 4.390 . 0 0 "[ . 1 . 2]" 1 314 1 16 ILE HA 1 34 THR H . . 5.050 4.732 4.551 4.907 . 0 0 "[ . 1 . 2]" 1 315 1 16 ILE HA 1 35 VAL HA . . 3.370 2.325 2.167 2.420 . 0 0 "[ . 1 . 2]" 1 316 1 16 ILE HA 1 35 VAL MG1 . . 4.550 3.748 3.511 3.935 . 0 0 "[ . 1 . 2]" 1 317 1 16 ILE HA 1 35 VAL MG2 . . 4.170 3.617 3.436 3.739 . 0 0 "[ . 1 . 2]" 1 318 1 16 ILE HA 1 36 ASP H . . 3.850 2.837 2.710 2.919 . 0 0 "[ . 1 . 2]" 1 319 1 16 ILE HB 1 16 ILE MD . . 3.490 2.352 2.268 2.436 . 0 0 "[ . 1 . 2]" 1 320 1 16 ILE HB 1 17 ALA H . . 3.510 3.063 2.967 3.121 . 0 0 "[ . 1 . 2]" 1 321 1 16 ILE HB 1 21 LEU MD1 . . 3.940 2.283 2.035 2.435 . 0 0 "[ . 1 . 2]" 1 322 1 16 ILE HB 1 33 PHE QD . . 4.250 2.345 2.165 2.495 . 0 0 "[ . 1 . 2]" 1 323 1 16 ILE HB 1 35 VAL MG2 . . 4.310 2.804 2.568 3.084 . 0 0 "[ . 1 . 2]" 1 324 1 16 ILE MD 1 16 ILE MG . . 3.130 2.026 1.905 2.154 . 0 0 "[ . 1 . 2]" 1 325 1 16 ILE MD 1 17 ALA H . . 5.180 4.816 4.629 4.927 . 0 0 "[ . 1 . 2]" 1 326 1 16 ILE MD 1 17 ALA HA . . 5.500 5.016 4.840 5.151 . 0 0 "[ . 1 . 2]" 1 327 1 16 ILE MD 1 21 LEU MD1 . . 3.170 1.905 1.762 2.035 . 0 0 "[ . 1 . 2]" 1 328 1 16 ILE MD 1 21 LEU MD2 . . 3.210 1.973 1.743 2.148 . 0 0 "[ . 1 . 2]" 1 329 1 16 ILE MD 1 33 PHE QD . . 3.480 3.162 2.974 3.367 . 0 0 "[ . 1 . 2]" 1 330 1 16 ILE MD 1 33 PHE QE . . 3.900 2.862 2.644 3.123 . 0 0 "[ . 1 . 2]" 1 331 1 16 ILE MD 1 35 VAL HA . . 5.500 4.788 4.706 4.859 . 0 0 "[ . 1 . 2]" 1 332 1 16 ILE MD 1 85 VAL HB . . 4.230 3.952 3.731 4.171 . 0 0 "[ . 1 . 2]" 1 333 1 16 ILE MD 1 85 VAL MG2 . . 3.050 2.865 2.527 3.052 0.002 17 0 "[ . 1 . 2]" 1 334 1 16 ILE MD 1 92 ILE MD . . 3.420 3.214 3.036 3.359 . 0 0 "[ . 1 . 2]" 1 335 1 16 ILE MD 1 97 PHE QD . . 4.340 2.911 2.779 3.039 . 0 0 "[ . 1 . 2]" 1 336 1 16 ILE MD 1 97 PHE QE . . 3.820 2.457 2.276 2.561 . 0 0 "[ . 1 . 2]" 1 337 1 16 ILE MD 1 97 PHE HZ . . 4.110 2.519 2.418 2.756 . 0 0 "[ . 1 . 2]" 1 338 1 16 ILE HG12 1 17 ALA HA . . 5.320 5.195 4.952 5.315 . 0 0 "[ . 1 . 2]" 1 339 1 16 ILE HG12 1 21 LEU MD1 . . 3.640 3.243 3.143 3.412 . 0 0 "[ . 1 . 2]" 1 340 1 16 ILE HG12 1 33 PHE QD . . 5.360 5.156 5.057 5.282 . 0 0 "[ . 1 . 2]" 1 341 1 16 ILE HG12 1 94 ARG HB2 . . 5.500 4.451 4.283 4.756 . 0 0 "[ . 1 . 2]" 1 342 1 16 ILE HG12 1 97 PHE QD . . 5.000 4.570 4.345 4.807 . 0 0 "[ . 1 . 2]" 1 343 1 16 ILE HG12 1 97 PHE QE . . 5.010 2.964 2.632 3.310 . 0 0 "[ . 1 . 2]" 1 344 1 16 ILE HG12 1 97 PHE HZ . . 5.050 2.742 2.488 3.065 . 0 0 "[ . 1 . 2]" 1 345 1 16 ILE HG13 1 16 ILE MG . . 3.680 3.199 3.189 3.203 . 0 0 "[ . 1 . 2]" 1 346 1 16 ILE HG13 1 17 ALA H . . 4.270 4.069 3.937 4.188 . 0 0 "[ . 1 . 2]" 1 347 1 16 ILE HG13 1 17 ALA HA . . 4.520 3.791 3.637 3.900 . 0 0 "[ . 1 . 2]" 1 348 1 16 ILE HG13 1 21 LEU MD1 . . 3.240 1.891 1.805 2.023 . 0 0 "[ . 1 . 2]" 1 349 1 16 ILE HG13 1 33 PHE QD . . 4.360 4.260 4.105 4.343 . 0 0 "[ . 1 . 2]" 1 350 1 16 ILE HG13 1 97 PHE QD . . 5.210 4.536 4.205 4.876 . 0 0 "[ . 1 . 2]" 1 351 1 16 ILE HG13 1 97 PHE QE . . 5.100 3.542 3.053 4.008 . 0 0 "[ . 1 . 2]" 1 352 1 16 ILE HG13 1 97 PHE HZ . . 5.010 4.186 3.984 4.532 . 0 0 "[ . 1 . 2]" 1 353 1 16 ILE MG 1 17 ALA H . . 4.140 3.963 3.918 4.061 . 0 0 "[ . 1 . 2]" 1 354 1 16 ILE MG 1 21 LEU MD1 . . 3.500 3.418 3.289 3.503 0.003 10 0 "[ . 1 . 2]" 1 355 1 16 ILE MG 1 33 PHE QD . . 3.880 3.359 3.063 3.591 . 0 0 "[ . 1 . 2]" 1 356 1 16 ILE MG 1 33 PHE QE . . 4.330 3.106 2.710 3.416 . 0 0 "[ . 1 . 2]" 1 357 1 16 ILE MG 1 34 THR H . . 5.380 5.266 5.044 5.363 . 0 0 "[ . 1 . 2]" 1 358 1 16 ILE MG 1 35 VAL HA . . 3.690 2.001 1.976 2.158 . 0 0 "[ . 1 . 2]" 1 359 1 16 ILE MG 1 35 VAL HB . . 4.470 3.591 3.444 3.723 . 0 0 "[ . 1 . 2]" 1 360 1 16 ILE MG 1 35 VAL MG2 . . 3.280 1.896 1.803 2.019 . 0 0 "[ . 1 . 2]" 1 361 1 16 ILE MG 1 36 ASP H . . 4.550 3.355 3.279 3.397 . 0 0 "[ . 1 . 2]" 1 362 1 16 ILE MG 1 85 VAL HB . . 5.120 4.434 4.287 4.595 . 0 0 "[ . 1 . 2]" 1 363 1 16 ILE MG 1 97 PHE HZ . . 4.650 3.527 3.405 3.672 . 0 0 "[ . 1 . 2]" 1 364 1 17 ALA H 1 17 ALA MB . . 3.230 2.626 2.565 2.662 . 0 0 "[ . 1 . 2]" 1 365 1 17 ALA H 1 21 LEU MD1 . . 4.220 3.469 3.291 3.685 . 0 0 "[ . 1 . 2]" 1 366 1 17 ALA H 1 33 PHE HB2 . . 4.310 3.765 3.518 3.899 . 0 0 "[ . 1 . 2]" 1 367 1 17 ALA H 1 33 PHE HB3 . . 5.500 5.391 5.144 5.499 . 0 0 "[ . 1 . 2]" 1 368 1 17 ALA H 1 33 PHE QD . . 4.210 3.946 3.612 4.149 . 0 0 "[ . 1 . 2]" 1 369 1 17 ALA H 1 34 THR H . . 3.520 3.153 2.995 3.330 . 0 0 "[ . 1 . 2]" 1 370 1 17 ALA H 1 34 THR HB . . 3.920 3.404 3.164 3.537 . 0 0 "[ . 1 . 2]" 1 371 1 17 ALA H 1 34 THR MG . . 4.610 4.170 3.922 4.416 . 0 0 "[ . 1 . 2]" 1 372 1 17 ALA H 1 35 VAL MG2 . . 4.680 4.381 4.211 4.557 . 0 0 "[ . 1 . 2]" 1 373 1 17 ALA H 1 36 ASP H . . 4.520 4.296 4.067 4.454 . 0 0 "[ . 1 . 2]" 1 374 1 17 ALA HA 1 18 GLY QA . . 5.260 3.941 3.913 4.015 . 0 0 "[ . 1 . 2]" 1 375 1 17 ALA HA 1 21 LEU MD1 . . 4.030 2.814 2.523 3.266 . 0 0 "[ . 1 . 2]" 1 376 1 17 ALA HA 1 34 THR H . . 4.990 4.758 4.564 4.858 . 0 0 "[ . 1 . 2]" 1 377 1 17 ALA MB 1 18 GLY H . . 4.130 2.852 2.506 3.212 . 0 0 "[ . 1 . 2]" 1 378 1 17 ALA MB 1 18 GLY QA . . 4.660 3.626 3.474 3.763 . 0 0 "[ . 1 . 2]" 1 379 1 17 ALA MB 1 34 THR H . . 4.530 4.256 4.135 4.399 . 0 0 "[ . 1 . 2]" 1 380 1 17 ALA MB 1 34 THR HB . . 4.000 3.734 3.394 3.893 . 0 0 "[ . 1 . 2]" 1 381 1 18 GLY H 1 22 GLY H . . 4.940 4.697 4.455 4.876 . 0 0 "[ . 1 . 2]" 1 382 1 18 GLY QA 1 19 PRO QD . . 2.680 2.032 2.025 2.035 . 0 0 "[ . 1 . 2]" 1 383 1 18 GLY QA 1 19 PRO HG3 . . 4.390 4.267 4.248 4.276 . 0 0 "[ . 1 . 2]" 1 384 1 18 GLY QA 1 20 GLY H . . 4.120 3.339 3.167 3.513 . 0 0 "[ . 1 . 2]" 1 385 1 18 GLY QA 1 33 PHE HA . . 3.390 2.319 2.135 2.494 . 0 0 "[ . 1 . 2]" 1 386 1 18 GLY QA 1 33 PHE HB2 . . 4.350 2.674 2.473 2.955 . 0 0 "[ . 1 . 2]" 1 387 1 18 GLY QA 1 33 PHE HB3 . . 4.480 2.588 2.287 2.980 . 0 0 "[ . 1 . 2]" 1 388 1 18 GLY QA 1 34 THR H . . 3.650 2.957 2.730 3.165 . 0 0 "[ . 1 . 2]" 1 389 1 18 GLY HA2 1 19 PRO HD2 . . 3.510 2.673 2.524 2.771 . 0 0 "[ . 1 . 2]" 1 390 1 18 GLY HA2 1 19 PRO HD3 . . 3.510 2.446 2.355 2.514 . 0 0 "[ . 1 . 2]" 1 391 1 18 GLY HA2 1 19 PRO HG2 . . 5.050 4.738 4.614 4.821 . 0 0 "[ . 1 . 2]" 1 392 1 18 GLY HA2 1 19 PRO HG3 . . 5.140 4.659 4.550 4.736 . 0 0 "[ . 1 . 2]" 1 393 1 18 GLY HA2 1 20 GLY H . . 4.770 4.402 4.152 4.592 . 0 0 "[ . 1 . 2]" 1 394 1 18 GLY HA2 1 33 PHE HA . . 4.130 3.725 3.454 3.977 . 0 0 "[ . 1 . 2]" 1 395 1 18 GLY HA2 1 34 THR H . . 4.490 4.153 3.860 4.399 . 0 0 "[ . 1 . 2]" 1 396 1 18 GLY HA3 1 19 PRO HD2 . . 3.510 2.360 2.270 2.500 . 0 0 "[ . 1 . 2]" 1 397 1 18 GLY HA3 1 19 PRO HD3 . . 3.510 3.246 3.152 3.385 . 0 0 "[ . 1 . 2]" 1 398 1 18 GLY HA3 1 19 PRO HG2 . . 5.050 4.410 4.344 4.518 . 0 0 "[ . 1 . 2]" 1 399 1 18 GLY HA3 1 19 PRO HG3 . . 5.140 4.956 4.868 5.092 . 0 0 "[ . 1 . 2]" 1 400 1 18 GLY HA3 1 20 GLY H . . 4.770 3.459 3.276 3.646 . 0 0 "[ . 1 . 2]" 1 401 1 18 GLY HA3 1 33 PHE HA . . 4.130 2.342 2.156 2.520 . 0 0 "[ . 1 . 2]" 1 402 1 18 GLY HA3 1 34 THR H . . 4.490 3.028 2.791 3.250 . 0 0 "[ . 1 . 2]" 1 403 1 19 PRO HA 1 21 LEU H . . 4.730 4.100 3.728 4.474 . 0 0 "[ . 1 . 2]" 1 404 1 19 PRO HA 1 22 GLY H . . 4.870 3.088 2.860 3.313 . 0 0 "[ . 1 . 2]" 1 405 1 19 PRO HA 1 22 GLY QA . . 4.440 3.175 2.968 3.363 . 0 0 "[ . 1 . 2]" 1 406 1 19 PRO QB 1 20 GLY H . . 3.870 3.166 3.010 3.328 . 0 0 "[ . 1 . 2]" 1 407 1 19 PRO QB 1 21 LEU H . . 5.330 4.877 4.605 5.159 . 0 0 "[ . 1 . 2]" 1 408 1 19 PRO QB 1 32 SER H . . 4.660 4.384 4.074 4.635 . 0 0 "[ . 1 . 2]" 1 409 1 19 PRO QD 1 20 GLY H . . 3.590 2.611 2.603 2.631 . 0 0 "[ . 1 . 2]" 1 410 1 19 PRO QD 1 21 LEU H . . 5.240 4.471 4.365 4.644 . 0 0 "[ . 1 . 2]" 1 411 1 19 PRO QD 1 32 SER H . . 5.080 4.261 4.094 4.405 . 0 0 "[ . 1 . 2]" 1 412 1 19 PRO QD 1 33 PHE HA . . 3.800 2.654 2.483 2.801 . 0 0 "[ . 1 . 2]" 1 413 1 19 PRO HD2 1 20 GLY H . . 4.200 2.657 2.647 2.679 . 0 0 "[ . 1 . 2]" 1 414 1 19 PRO HD2 1 33 PHE HA . . 4.360 2.681 2.504 2.835 . 0 0 "[ . 1 . 2]" 1 415 1 19 PRO HD3 1 20 GLY H . . 4.200 3.843 3.838 3.854 . 0 0 "[ . 1 . 2]" 1 416 1 19 PRO HD3 1 33 PHE HA . . 4.360 4.255 4.088 4.362 0.002 10 0 "[ . 1 . 2]" 1 417 1 19 PRO HG2 1 20 GLY H . . 3.700 2.321 2.113 2.561 . 0 0 "[ . 1 . 2]" 1 418 1 19 PRO HG2 1 20 GLY HA2 . . 4.930 4.126 4.063 4.192 . 0 0 "[ . 1 . 2]" 1 419 1 19 PRO HG2 1 32 SER H . . 4.240 2.992 2.761 3.280 . 0 0 "[ . 1 . 2]" 1 420 1 19 PRO HG2 1 33 PHE HA . . 4.700 4.350 4.151 4.559 . 0 0 "[ . 1 . 2]" 1 421 1 19 PRO HG3 1 20 GLY H . . 4.350 3.846 3.691 4.024 . 0 0 "[ . 1 . 2]" 1 422 1 19 PRO HG3 1 32 SER H . . 5.070 4.503 4.196 4.902 . 0 0 "[ . 1 . 2]" 1 423 1 20 GLY H 1 21 LEU H . . 3.540 2.788 2.634 2.907 . 0 0 "[ . 1 . 2]" 1 424 1 20 GLY H 1 21 LEU HG . . 5.150 4.375 4.126 4.612 . 0 0 "[ . 1 . 2]" 1 425 1 20 GLY H 1 22 GLY H . . 4.630 3.948 3.841 4.040 . 0 0 "[ . 1 . 2]" 1 426 1 20 GLY H 1 25 VAL MG2 . . 4.800 4.547 4.279 4.765 . 0 0 "[ . 1 . 2]" 1 427 1 20 GLY H 1 31 GLN HB3 . . 4.500 4.212 4.071 4.372 . 0 0 "[ . 1 . 2]" 1 428 1 20 GLY H 1 32 SER H . . 3.810 3.386 3.253 3.586 . 0 0 "[ . 1 . 2]" 1 429 1 20 GLY H 1 33 PHE HA . . 4.320 3.733 3.462 3.935 . 0 0 "[ . 1 . 2]" 1 430 1 20 GLY H 1 33 PHE HB2 . . 4.630 4.571 4.322 4.633 0.003 4 0 "[ . 1 . 2]" 1 431 1 20 GLY H 1 33 PHE HB3 . . 3.780 2.967 2.776 3.046 . 0 0 "[ . 1 . 2]" 1 432 1 20 GLY H 1 33 PHE QD . . 4.290 3.953 3.766 4.089 . 0 0 "[ . 1 . 2]" 1 433 1 20 GLY HA2 1 25 VAL MG2 . . 4.020 2.642 2.319 2.818 . 0 0 "[ . 1 . 2]" 1 434 1 20 GLY HA2 1 31 GLN HB2 . . 4.540 3.714 3.625 3.801 . 0 0 "[ . 1 . 2]" 1 435 1 20 GLY HA2 1 31 GLN HB3 . . 3.910 2.030 1.998 2.117 . 0 0 "[ . 1 . 2]" 1 436 1 20 GLY HA2 1 32 SER H . . 4.100 3.690 3.442 3.897 . 0 0 "[ . 1 . 2]" 1 437 1 20 GLY HA2 1 33 PHE HB3 . . 5.120 4.770 4.367 4.903 . 0 0 "[ . 1 . 2]" 1 438 1 20 GLY HA2 1 33 PHE QD . . 4.570 4.453 4.097 4.568 . 0 0 "[ . 1 . 2]" 1 439 1 20 GLY HA2 1 73 TYR QD . . 5.470 5.221 4.731 5.446 . 0 0 "[ . 1 . 2]" 1 440 1 20 GLY HA2 1 73 TYR QE . . 4.230 3.307 2.614 3.680 . 0 0 "[ . 1 . 2]" 1 441 1 20 GLY HA2 1 73 TYR HH . . 5.100 3.379 2.380 3.860 . 0 0 "[ . 1 . 2]" 1 442 1 20 GLY HA3 1 22 GLY H . . 4.700 4.530 4.390 4.674 . 0 0 "[ . 1 . 2]" 1 443 1 20 GLY HA3 1 25 VAL MG2 . . 4.120 3.961 3.713 4.071 . 0 0 "[ . 1 . 2]" 1 444 1 20 GLY HA3 1 31 GLN HB2 . . 4.390 4.055 3.873 4.326 . 0 0 "[ . 1 . 2]" 1 445 1 20 GLY HA3 1 31 GLN HB3 . . 3.980 2.757 2.553 3.149 . 0 0 "[ . 1 . 2]" 1 446 1 20 GLY HA3 1 32 SER H . . 3.750 3.428 3.068 3.666 . 0 0 "[ . 1 . 2]" 1 447 1 20 GLY HA3 1 33 PHE HB2 . . 5.120 4.958 4.507 5.114 . 0 0 "[ . 1 . 2]" 1 448 1 20 GLY HA3 1 33 PHE HB3 . . 4.980 3.230 2.773 3.392 . 0 0 "[ . 1 . 2]" 1 449 1 20 GLY HA3 1 33 PHE QD . . 4.040 2.776 2.485 2.908 . 0 0 "[ . 1 . 2]" 1 450 1 20 GLY HA3 1 73 TYR QE . . 4.230 2.663 2.259 2.953 . 0 0 "[ . 1 . 2]" 1 451 1 20 GLY HA3 1 73 TYR HH . . 4.890 3.665 3.151 4.010 . 0 0 "[ . 1 . 2]" 1 452 1 21 LEU H 1 21 LEU HB2 . . 3.150 2.600 2.482 2.687 . 0 0 "[ . 1 . 2]" 1 453 1 21 LEU H 1 21 LEU HB3 . . 3.770 3.652 3.601 3.732 . 0 0 "[ . 1 . 2]" 1 454 1 21 LEU H 1 21 LEU MD1 . . 3.870 3.317 3.135 3.514 . 0 0 "[ . 1 . 2]" 1 455 1 21 LEU H 1 21 LEU MD2 . . 4.040 3.676 3.535 3.810 . 0 0 "[ . 1 . 2]" 1 456 1 21 LEU H 1 21 LEU HG . . 3.320 2.314 2.140 2.541 . 0 0 "[ . 1 . 2]" 1 457 1 21 LEU H 1 22 GLY H . . 2.760 2.259 1.984 2.472 . 0 0 "[ . 1 . 2]" 1 458 1 21 LEU H 1 22 GLY HA2 . . 5.180 4.833 4.607 5.036 . 0 0 "[ . 1 . 2]" 1 459 1 21 LEU H 1 22 GLY QA . . 4.410 4.158 3.927 4.350 . 0 0 "[ . 1 . 2]" 1 460 1 21 LEU H 1 22 GLY HA3 . . 5.180 4.536 4.257 4.758 . 0 0 "[ . 1 . 2]" 1 461 1 21 LEU H 1 25 VAL MG2 . . 4.820 4.248 3.968 4.438 . 0 0 "[ . 1 . 2]" 1 462 1 21 LEU H 1 33 PHE HB2 . . 4.590 4.289 3.986 4.561 . 0 0 "[ . 1 . 2]" 1 463 1 21 LEU H 1 33 PHE HB3 . . 4.260 3.019 2.590 3.291 . 0 0 "[ . 1 . 2]" 1 464 1 21 LEU H 1 33 PHE QD . . 4.650 4.259 3.772 4.609 . 0 0 "[ . 1 . 2]" 1 465 1 21 LEU H 1 99 VAL MG2 . . 5.220 4.636 4.378 4.842 . 0 0 "[ . 1 . 2]" 1 466 1 21 LEU HA 1 21 LEU MD1 . . 4.580 3.970 3.932 3.994 . 0 0 "[ . 1 . 2]" 1 467 1 21 LEU HA 1 21 LEU MD2 . . 3.010 2.464 2.178 2.579 . 0 0 "[ . 1 . 2]" 1 468 1 21 LEU HA 1 21 LEU HG . . 3.980 3.012 2.852 3.113 . 0 0 "[ . 1 . 2]" 1 469 1 21 LEU HA 1 33 PHE HB3 . . 5.500 5.274 4.947 5.496 . 0 0 "[ . 1 . 2]" 1 470 1 21 LEU HA 1 73 TYR HH . . 4.950 3.977 3.602 4.300 . 0 0 "[ . 1 . 2]" 1 471 1 21 LEU HA 1 99 VAL MG2 . . 3.130 2.140 1.972 2.440 . 0 0 "[ . 1 . 2]" 1 472 1 21 LEU HB2 1 21 LEU MD1 . . 3.280 2.189 2.003 2.281 . 0 0 "[ . 1 . 2]" 1 473 1 21 LEU HB2 1 22 GLY H . . 4.030 3.044 2.885 3.326 . 0 0 "[ . 1 . 2]" 1 474 1 21 LEU HB2 1 99 VAL MG2 . . 4.620 4.427 4.259 4.575 . 0 0 "[ . 1 . 2]" 1 475 1 21 LEU HB3 1 21 LEU MD1 . . 3.440 2.558 2.458 2.635 . 0 0 "[ . 1 . 2]" 1 476 1 21 LEU HB3 1 21 LEU MD2 . . 3.380 2.165 2.084 2.297 . 0 0 "[ . 1 . 2]" 1 477 1 21 LEU HB3 1 22 GLY H . . 4.370 4.091 3.980 4.265 . 0 0 "[ . 1 . 2]" 1 478 1 21 LEU HB3 1 97 PHE QD . . 5.500 4.064 3.650 4.500 . 0 0 "[ . 1 . 2]" 1 479 1 21 LEU HB3 1 99 VAL MG2 . . 4.140 3.311 3.126 3.483 . 0 0 "[ . 1 . 2]" 1 480 1 21 LEU MD1 1 22 GLY H . . 4.960 4.500 4.317 4.690 . 0 0 "[ . 1 . 2]" 1 481 1 21 LEU MD1 1 33 PHE HB2 . . 4.460 2.514 2.075 2.932 . 0 0 "[ . 1 . 2]" 1 482 1 21 LEU MD1 1 33 PHE HB3 . . 4.450 3.010 2.572 3.425 . 0 0 "[ . 1 . 2]" 1 483 1 21 LEU MD1 1 33 PHE QD . . 3.980 2.483 2.056 2.871 . 0 0 "[ . 1 . 2]" 1 484 1 21 LEU MD1 1 33 PHE QE . . 4.810 3.548 3.147 3.935 . 0 0 "[ . 1 . 2]" 1 485 1 21 LEU MD1 1 34 THR H . . 4.810 3.899 3.560 4.135 . 0 0 "[ . 1 . 2]" 1 486 1 21 LEU MD1 1 97 PHE QD . . 4.630 4.137 3.702 4.516 . 0 0 "[ . 1 . 2]" 1 487 1 21 LEU MD1 1 97 PHE QE . . 4.970 4.085 3.653 4.495 . 0 0 "[ . 1 . 2]" 1 488 1 21 LEU MD2 1 22 GLY H . . 5.050 4.898 4.785 4.993 . 0 0 "[ . 1 . 2]" 1 489 1 21 LEU MD2 1 33 PHE QD . . 4.160 3.389 3.172 3.596 . 0 0 "[ . 1 . 2]" 1 490 1 21 LEU MD2 1 33 PHE QE . . 4.400 3.244 2.796 3.640 . 0 0 "[ . 1 . 2]" 1 491 1 21 LEU MD2 1 73 TYR QE . . 4.600 4.310 4.085 4.570 . 0 0 "[ . 1 . 2]" 1 492 1 21 LEU MD2 1 73 TYR HH . . 4.590 4.423 4.255 4.577 . 0 0 "[ . 1 . 2]" 1 493 1 21 LEU MD2 1 83 VAL H . . 5.140 5.056 4.888 5.143 0.003 4 0 "[ . 1 . 2]" 1 494 1 21 LEU MD2 1 83 VAL HB . . 3.670 3.258 3.063 3.416 . 0 0 "[ . 1 . 2]" 1 495 1 21 LEU MD2 1 83 VAL MG1 . . 3.160 2.958 2.642 3.127 . 0 0 "[ . 1 . 2]" 1 496 1 21 LEU MD2 1 83 VAL MG2 . . 3.390 3.243 2.987 3.395 0.005 17 0 "[ . 1 . 2]" 1 497 1 21 LEU MD2 1 97 PHE H . . 5.500 5.437 5.275 5.500 . 0 0 "[ . 1 . 2]" 1 498 1 21 LEU MD2 1 97 PHE HB2 . . 3.790 3.356 3.232 3.451 . 0 0 "[ . 1 . 2]" 1 499 1 21 LEU MD2 1 97 PHE HB3 . . 3.930 2.994 2.777 3.177 . 0 0 "[ . 1 . 2]" 1 500 1 21 LEU MD2 1 97 PHE QD . . 4.060 3.276 2.908 3.527 . 0 0 "[ . 1 . 2]" 1 501 1 21 LEU MD2 1 99 VAL MG2 . . 3.170 2.727 2.257 3.142 . 0 0 "[ . 1 . 2]" 1 502 1 21 LEU HG 1 22 GLY H . . 4.520 4.273 4.150 4.448 . 0 0 "[ . 1 . 2]" 1 503 1 21 LEU HG 1 33 PHE HB2 . . 4.420 3.375 3.229 3.515 . 0 0 "[ . 1 . 2]" 1 504 1 21 LEU HG 1 33 PHE HB3 . . 4.280 2.739 2.560 2.841 . 0 0 "[ . 1 . 2]" 1 505 1 21 LEU HG 1 33 PHE QD . . 4.200 3.378 3.093 3.593 . 0 0 "[ . 1 . 2]" 1 506 1 21 LEU HG 1 34 THR H . . 5.500 5.409 5.213 5.499 . 0 0 "[ . 1 . 2]" 1 507 1 22 GLY H 1 23 SER H . . 4.720 4.610 4.534 4.643 . 0 0 "[ . 1 . 2]" 1 508 1 22 GLY H 1 25 VAL MG2 . . 3.820 3.649 3.456 3.767 . 0 0 "[ . 1 . 2]" 1 509 1 22 GLY QA 1 23 SER H . . 3.100 2.271 2.249 2.282 . 0 0 "[ . 1 . 2]" 1 510 1 22 GLY QA 1 25 VAL MG2 . . 3.910 3.712 3.514 3.866 . 0 0 "[ . 1 . 2]" 1 511 1 22 GLY HA2 1 23 SER H . . 3.540 2.480 2.382 2.622 . 0 0 "[ . 1 . 2]" 1 512 1 22 GLY HA3 1 23 SER H . . 3.540 2.651 2.505 2.761 . 0 0 "[ . 1 . 2]" 1 513 1 23 SER H 1 23 SER QB . . 3.700 2.440 2.214 2.716 . 0 0 "[ . 1 . 2]" 1 514 1 23 SER H 1 24 GLY H . . 3.630 2.469 2.193 2.823 . 0 0 "[ . 1 . 2]" 1 515 1 23 SER HA 1 25 VAL H . . 4.210 3.626 3.529 3.772 . 0 0 "[ . 1 . 2]" 1 516 1 23 SER HB2 1 24 GLY H . . 5.440 4.003 3.162 4.524 . 0 0 "[ . 1 . 2]" 1 517 1 23 SER HB3 1 24 GLY H . . 5.440 4.030 3.166 4.496 . 0 0 "[ . 1 . 2]" 1 518 1 24 GLY H 1 25 VAL H . . 3.520 3.142 2.715 3.385 . 0 0 "[ . 1 . 2]" 1 519 1 24 GLY H 1 25 VAL MG2 . . 4.380 3.416 3.090 3.736 . 0 0 "[ . 1 . 2]" 1 520 1 24 GLY HA2 1 102 LEU MD1 . . 3.540 2.802 2.661 2.931 . 0 0 "[ . 1 . 2]" 1 521 1 24 GLY HA3 1 25 VAL HA . . 5.300 4.551 4.538 4.562 . 0 0 "[ . 1 . 2]" 1 522 1 24 GLY HA3 1 102 LEU MD1 . . 4.370 4.288 4.157 4.371 0.001 4 0 "[ . 1 . 2]" 1 523 1 25 VAL H 1 25 VAL HB . . 2.860 2.486 2.428 2.574 . 0 0 "[ . 1 . 2]" 1 524 1 25 VAL H 1 25 VAL MG1 . . 3.970 3.779 3.754 3.811 . 0 0 "[ . 1 . 2]" 1 525 1 25 VAL H 1 25 VAL MG2 . . 2.770 2.593 2.444 2.771 0.001 13 0 "[ . 1 . 2]" 1 526 1 25 VAL H 1 26 ARG H . . 4.570 4.549 4.524 4.575 0.005 9 0 "[ . 1 . 2]" 1 527 1 25 VAL H 1 101 VAL HA . . 4.370 4.124 3.930 4.368 . 0 0 "[ . 1 . 2]" 1 528 1 25 VAL H 1 102 LEU H . . 4.890 4.310 4.121 4.481 . 0 0 "[ . 1 . 2]" 1 529 1 25 VAL HA 1 25 VAL MG1 . . 3.250 2.409 2.320 2.484 . 0 0 "[ . 1 . 2]" 1 530 1 25 VAL HA 1 25 VAL MG2 . . 3.090 2.333 2.219 2.425 . 0 0 "[ . 1 . 2]" 1 531 1 25 VAL HA 1 26 ARG H . . 2.710 2.224 2.194 2.267 . 0 0 "[ . 1 . 2]" 1 532 1 25 VAL HA 1 26 ARG HA . . 4.760 4.403 4.397 4.415 . 0 0 "[ . 1 . 2]" 1 533 1 25 VAL HA 1 26 ARG HG2 . . 5.080 4.871 4.536 5.029 . 0 0 "[ . 1 . 2]" 1 534 1 25 VAL HA 1 31 GLN HE21 . . 3.750 3.567 3.375 3.708 . 0 0 "[ . 1 . 2]" 1 535 1 25 VAL HA 1 31 GLN HE22 . . 3.720 2.641 2.398 2.860 . 0 0 "[ . 1 . 2]" 1 536 1 25 VAL HA 1 31 GLN HG3 . . 4.550 4.511 4.408 4.553 0.003 13 0 "[ . 1 . 2]" 1 537 1 25 VAL HA 1 101 VAL MG1 . . 5.250 4.693 4.556 4.880 . 0 0 "[ . 1 . 2]" 1 538 1 25 VAL HB 1 26 ARG H . . 4.350 3.989 3.914 4.085 . 0 0 "[ . 1 . 2]" 1 539 1 25 VAL HB 1 101 VAL HA . . 3.760 2.541 2.367 2.792 . 0 0 "[ . 1 . 2]" 1 540 1 25 VAL HB 1 101 VAL MG1 . . 3.770 3.502 3.321 3.729 . 0 0 "[ . 1 . 2]" 1 541 1 25 VAL HB 1 101 VAL MG2 . . 3.680 3.396 3.062 3.586 . 0 0 "[ . 1 . 2]" 1 542 1 25 VAL HB 1 102 LEU H . . 4.790 3.657 3.462 3.837 . 0 0 "[ . 1 . 2]" 1 543 1 25 VAL HB 1 102 LEU HB2 . . 5.500 5.050 4.875 5.275 . 0 0 "[ . 1 . 2]" 1 544 1 25 VAL MG1 1 26 ARG H . . 3.180 2.097 1.931 2.327 . 0 0 "[ . 1 . 2]" 1 545 1 25 VAL MG1 1 26 ARG HA . . 4.310 3.533 3.358 3.691 . 0 0 "[ . 1 . 2]" 1 546 1 25 VAL MG1 1 31 GLN HB3 . . 3.970 3.455 3.144 3.637 . 0 0 "[ . 1 . 2]" 1 547 1 25 VAL MG1 1 31 GLN HE21 . . 3.820 2.233 1.962 2.464 . 0 0 "[ . 1 . 2]" 1 548 1 25 VAL MG1 1 31 GLN HE22 . . 3.870 2.699 2.533 2.885 . 0 0 "[ . 1 . 2]" 1 549 1 25 VAL MG1 1 31 GLN HG2 . . 3.650 3.207 3.116 3.319 . 0 0 "[ . 1 . 2]" 1 550 1 25 VAL MG1 1 31 GLN HG3 . . 3.080 2.018 1.946 2.108 . 0 0 "[ . 1 . 2]" 1 551 1 25 VAL MG1 1 73 TYR QE . . 3.860 3.533 3.343 3.733 . 0 0 "[ . 1 . 2]" 1 552 1 25 VAL MG1 1 73 TYR HH . . 3.900 3.273 2.980 3.602 . 0 0 "[ . 1 . 2]" 1 553 1 25 VAL MG1 1 75 PRO HD2 . . 4.280 3.924 3.794 4.073 . 0 0 "[ . 1 . 2]" 1 554 1 25 VAL MG1 1 75 PRO HD3 . . 4.140 3.501 3.342 3.680 . 0 0 "[ . 1 . 2]" 1 555 1 25 VAL MG1 1 75 PRO HG2 . . 3.830 3.376 3.254 3.546 . 0 0 "[ . 1 . 2]" 1 556 1 25 VAL MG1 1 75 PRO HG3 . . 3.360 2.295 2.153 2.463 . 0 0 "[ . 1 . 2]" 1 557 1 25 VAL MG1 1 101 VAL HA . . 3.810 2.850 2.602 3.150 . 0 0 "[ . 1 . 2]" 1 558 1 25 VAL MG1 1 101 VAL MG2 . . 3.090 2.376 2.232 2.776 . 0 0 "[ . 1 . 2]" 1 559 1 25 VAL MG2 1 26 ARG H . . 3.930 3.847 3.727 3.985 0.055 17 0 "[ . 1 . 2]" 1 560 1 25 VAL MG2 1 73 TYR QE . . 4.630 4.174 3.987 4.435 . 0 0 "[ . 1 . 2]" 1 561 1 25 VAL MG2 1 73 TYR HH . . 3.810 3.057 2.674 3.560 . 0 0 "[ . 1 . 2]" 1 562 1 26 ARG H 1 26 ARG HB2 . . 3.130 2.619 2.550 2.696 . 0 0 "[ . 1 . 2]" 1 563 1 26 ARG H 1 26 ARG HB3 . . 4.140 3.759 3.724 3.794 . 0 0 "[ . 1 . 2]" 1 564 1 26 ARG H 1 26 ARG QD . . 4.990 4.410 4.215 4.535 . 0 0 "[ . 1 . 2]" 1 565 1 26 ARG H 1 26 ARG HG2 . . 4.390 3.889 3.625 4.023 . 0 0 "[ . 1 . 2]" 1 566 1 26 ARG H 1 26 ARG HG3 . . 3.520 2.943 2.742 3.110 . 0 0 "[ . 1 . 2]" 1 567 1 26 ARG H 1 27 ALA H . . 4.700 4.479 4.457 4.499 . 0 0 "[ . 1 . 2]" 1 568 1 26 ARG H 1 29 VAL HB . . 3.410 3.199 3.069 3.381 . 0 0 "[ . 1 . 2]" 1 569 1 26 ARG H 1 29 VAL MG1 . . 3.650 3.569 3.374 3.651 0.001 13 0 "[ . 1 . 2]" 1 570 1 26 ARG H 1 31 GLN HE22 . . 3.170 2.087 1.900 2.289 . 0 0 "[ . 1 . 2]" 1 571 1 26 ARG H 1 31 GLN HG2 . . 4.840 4.558 4.292 4.668 . 0 0 "[ . 1 . 2]" 1 572 1 26 ARG H 1 75 PRO HG2 . . 5.200 4.786 4.642 5.007 . 0 0 "[ . 1 . 2]" 1 573 1 26 ARG H 1 75 PRO HG3 . . 4.830 4.437 4.265 4.696 . 0 0 "[ . 1 . 2]" 1 574 1 26 ARG H 1 101 VAL MG1 . . 4.130 3.778 3.654 3.959 . 0 0 "[ . 1 . 2]" 1 575 1 26 ARG H 1 102 LEU H . . 4.950 4.324 4.153 4.424 . 0 0 "[ . 1 . 2]" 1 576 1 26 ARG HA 1 26 ARG HD2 . . 4.890 4.613 4.419 4.821 . 0 0 "[ . 1 . 2]" 1 577 1 26 ARG HA 1 26 ARG QD . . 4.070 3.942 3.747 4.097 0.027 17 0 "[ . 1 . 2]" 1 578 1 26 ARG HA 1 26 ARG HD3 . . 4.890 4.320 3.940 4.816 . 0 0 "[ . 1 . 2]" 1 579 1 26 ARG HA 1 26 ARG HG2 . . 3.940 2.521 2.392 2.690 . 0 0 "[ . 1 . 2]" 1 580 1 26 ARG HA 1 26 ARG HG3 . . 3.980 3.177 3.029 3.393 . 0 0 "[ . 1 . 2]" 1 581 1 26 ARG HA 1 27 ALA H . . 2.750 2.286 2.237 2.367 . 0 0 "[ . 1 . 2]" 1 582 1 26 ARG HA 1 27 ALA HA . . 5.100 4.318 4.316 4.321 . 0 0 "[ . 1 . 2]" 1 583 1 26 ARG HA 1 29 VAL MG2 . . 5.310 4.128 3.689 4.447 . 0 0 "[ . 1 . 2]" 1 584 1 26 ARG HA 1 31 GLN HE21 . . 5.350 4.727 4.495 4.872 . 0 0 "[ . 1 . 2]" 1 585 1 26 ARG HA 1 101 VAL MG1 . . 3.670 2.910 2.723 3.134 . 0 0 "[ . 1 . 2]" 1 586 1 26 ARG HA 1 102 LEU H . . 3.440 2.514 2.150 2.715 . 0 0 "[ . 1 . 2]" 1 587 1 26 ARG HA 1 102 LEU HB2 . . 4.100 2.853 2.740 2.969 . 0 0 "[ . 1 . 2]" 1 588 1 26 ARG HA 1 102 LEU HB3 . . 4.050 4.012 3.988 4.049 . 0 0 "[ . 1 . 2]" 1 589 1 26 ARG HB2 1 27 ALA H . . 4.800 3.837 3.624 3.980 . 0 0 "[ . 1 . 2]" 1 590 1 26 ARG HB2 1 29 VAL H . . 5.500 4.987 4.574 5.190 . 0 0 "[ . 1 . 2]" 1 591 1 26 ARG HB2 1 29 VAL HA . . 5.470 5.158 4.868 5.374 . 0 0 "[ . 1 . 2]" 1 592 1 26 ARG HB2 1 29 VAL HB . . 3.670 2.862 2.501 3.075 . 0 0 "[ . 1 . 2]" 1 593 1 26 ARG HB2 1 29 VAL MG2 . . 3.430 1.970 1.813 2.138 . 0 0 "[ . 1 . 2]" 1 594 1 26 ARG HB2 1 31 GLN HE21 . . 4.610 3.645 3.422 3.858 . 0 0 "[ . 1 . 2]" 1 595 1 26 ARG HB2 1 31 GLN HE22 . . 4.690 3.589 3.322 3.786 . 0 0 "[ . 1 . 2]" 1 596 1 26 ARG HB2 1 104 THR H . . 5.460 5.375 5.110 5.463 0.003 11 0 "[ . 1 . 2]" 1 597 1 26 ARG HB2 1 104 THR HA . . 4.230 3.778 3.712 3.865 . 0 0 "[ . 1 . 2]" 1 598 1 26 ARG HB3 1 26 ARG HD2 . . 3.640 2.836 2.422 3.333 . 0 0 "[ . 1 . 2]" 1 599 1 26 ARG HB3 1 26 ARG QD . . 3.160 2.316 2.146 2.417 . 0 0 "[ . 1 . 2]" 1 600 1 26 ARG HB3 1 26 ARG HD3 . . 3.640 2.655 2.204 3.561 . 0 0 "[ . 1 . 2]" 1 601 1 26 ARG HB3 1 27 ALA H . . 3.350 2.737 2.528 2.883 . 0 0 "[ . 1 . 2]" 1 602 1 26 ARG HB3 1 29 VAL HB . . 4.310 4.115 3.873 4.304 . 0 0 "[ . 1 . 2]" 1 603 1 26 ARG HB3 1 29 VAL MG2 . . 3.430 2.593 2.337 2.933 . 0 0 "[ . 1 . 2]" 1 604 1 26 ARG HB3 1 31 GLN HE21 . . 5.150 5.026 4.865 5.150 . 0 0 "[ . 1 . 2]" 1 605 1 26 ARG HB3 1 31 GLN HE22 . . 5.500 5.200 4.941 5.391 . 0 0 "[ . 1 . 2]" 1 606 1 26 ARG HB3 1 104 THR H . . 4.380 3.717 3.494 3.800 . 0 0 "[ . 1 . 2]" 1 607 1 26 ARG HB3 1 104 THR HA . . 3.270 2.226 2.111 2.351 . 0 0 "[ . 1 . 2]" 1 608 1 26 ARG HB3 1 104 THR HB . . 4.920 4.852 4.713 4.919 . 0 0 "[ . 1 . 2]" 1 609 1 26 ARG HB3 1 105 TYR H . . 5.500 5.494 5.459 5.513 0.013 17 0 "[ . 1 . 2]" 1 610 1 26 ARG QD 1 27 ALA H . . 5.270 4.661 4.434 4.908 . 0 0 "[ . 1 . 2]" 1 611 1 26 ARG QD 1 29 VAL MG1 . . 4.230 3.962 3.644 4.224 . 0 0 "[ . 1 . 2]" 1 612 1 26 ARG QD 1 104 THR HA . . 3.830 2.435 2.080 2.963 . 0 0 "[ . 1 . 2]" 1 613 1 26 ARG HD2 1 29 VAL MG2 . . 4.160 3.120 2.776 3.470 . 0 0 "[ . 1 . 2]" 1 614 1 26 ARG HD2 1 104 THR HA . . 4.430 3.511 2.763 4.297 . 0 0 "[ . 1 . 2]" 1 615 1 26 ARG HD3 1 29 VAL MG2 . . 4.160 3.861 3.351 4.181 0.021 17 0 "[ . 1 . 2]" 1 616 1 26 ARG HD3 1 104 THR HA . . 4.430 2.696 2.095 4.118 . 0 0 "[ . 1 . 2]" 1 617 1 26 ARG HG2 1 27 ALA H . . 4.640 4.182 4.036 4.293 . 0 0 "[ . 1 . 2]" 1 618 1 26 ARG HG2 1 102 LEU H . . 4.670 4.361 4.178 4.574 . 0 0 "[ . 1 . 2]" 1 619 1 26 ARG HG2 1 104 THR HA . . 4.560 3.642 3.496 3.895 . 0 0 "[ . 1 . 2]" 1 620 1 26 ARG HG3 1 27 ALA H . . 5.220 5.013 4.868 5.155 . 0 0 "[ . 1 . 2]" 1 621 1 26 ARG HG3 1 29 VAL MG2 . . 4.050 3.929 3.749 4.059 0.009 15 0 "[ . 1 . 2]" 1 622 1 26 ARG HG3 1 104 THR HA . . 4.900 4.665 4.428 4.856 . 0 0 "[ . 1 . 2]" 1 623 1 27 ALA H 1 27 ALA MB . . 2.870 2.236 2.186 2.265 . 0 0 "[ . 1 . 2]" 1 624 1 27 ALA H 1 28 ARG H . . 4.910 4.627 4.613 4.637 . 0 0 "[ . 1 . 2]" 1 625 1 27 ALA H 1 29 VAL MG2 . . 4.270 3.862 3.380 4.242 . 0 0 "[ . 1 . 2]" 1 626 1 27 ALA H 1 75 PRO HG2 . . 4.630 4.429 4.370 4.495 . 0 0 "[ . 1 . 2]" 1 627 1 27 ALA H 1 78 GLU HA . . 4.610 4.498 4.240 4.601 . 0 0 "[ . 1 . 2]" 1 628 1 27 ALA H 1 78 GLU HB2 . . 4.910 4.666 4.381 4.898 . 0 0 "[ . 1 . 2]" 1 629 1 27 ALA H 1 78 GLU HB3 . . 4.530 3.618 3.350 3.864 . 0 0 "[ . 1 . 2]" 1 630 1 27 ALA H 1 101 VAL HA . . 5.460 5.405 5.275 5.464 0.004 15 0 "[ . 1 . 2]" 1 631 1 27 ALA H 1 101 VAL HB . . 5.410 5.394 5.331 5.417 0.007 17 0 "[ . 1 . 2]" 1 632 1 27 ALA H 1 101 VAL MG1 . . 3.050 2.777 2.744 2.824 . 0 0 "[ . 1 . 2]" 1 633 1 27 ALA H 1 101 VAL MG2 . . 5.470 5.266 5.172 5.370 . 0 0 "[ . 1 . 2]" 1 634 1 27 ALA H 1 102 LEU H . . 3.850 3.755 3.629 3.847 . 0 0 "[ . 1 . 2]" 1 635 1 27 ALA H 1 102 LEU HB2 . . 4.830 4.576 4.520 4.619 . 0 0 "[ . 1 . 2]" 1 636 1 27 ALA H 1 103 PRO HA . . 3.680 3.383 3.321 3.460 . 0 0 "[ . 1 . 2]" 1 637 1 27 ALA H 1 104 THR HA . . 4.130 3.694 3.584 3.856 . 0 0 "[ . 1 . 2]" 1 638 1 27 ALA HA 1 28 ARG H . . 2.910 2.281 2.240 2.317 . 0 0 "[ . 1 . 2]" 1 639 1 27 ALA HA 1 28 ARG HA . . 4.480 4.435 4.419 4.448 . 0 0 "[ . 1 . 2]" 1 640 1 27 ALA HA 1 28 ARG HG2 . . 5.250 5.074 4.871 5.231 . 0 0 "[ . 1 . 2]" 1 641 1 27 ALA HA 1 28 ARG HG3 . . 4.700 4.550 4.333 4.694 . 0 0 "[ . 1 . 2]" 1 642 1 27 ALA HA 1 29 VAL H . . 3.860 3.531 3.382 3.662 . 0 0 "[ . 1 . 2]" 1 643 1 27 ALA HA 1 29 VAL HB . . 5.360 4.540 4.420 4.684 . 0 0 "[ . 1 . 2]" 1 644 1 27 ALA HA 1 75 PRO HB2 . . 4.060 2.884 2.717 3.062 . 0 0 "[ . 1 . 2]" 1 645 1 27 ALA HA 1 75 PRO HB3 . . 4.470 4.318 4.174 4.434 . 0 0 "[ . 1 . 2]" 1 646 1 27 ALA HA 1 75 PRO HD2 . . 4.690 4.119 4.059 4.198 . 0 0 "[ . 1 . 2]" 1 647 1 27 ALA HA 1 75 PRO HD3 . . 5.040 4.995 4.969 5.041 0.001 4 0 "[ . 1 . 2]" 1 648 1 27 ALA HA 1 75 PRO HG2 . . 3.410 2.016 1.998 2.059 . 0 0 "[ . 1 . 2]" 1 649 1 27 ALA HA 1 75 PRO HG3 . . 3.910 3.427 3.342 3.520 . 0 0 "[ . 1 . 2]" 1 650 1 27 ALA HA 1 78 GLU HA . . 5.020 4.031 3.924 4.129 . 0 0 "[ . 1 . 2]" 1 651 1 27 ALA HA 1 101 VAL HB . . 5.280 4.887 4.671 5.127 . 0 0 "[ . 1 . 2]" 1 652 1 27 ALA HA 1 101 VAL MG1 . . 3.390 2.358 2.220 2.564 . 0 0 "[ . 1 . 2]" 1 653 1 27 ALA MB 1 28 ARG H . . 3.430 2.659 2.609 2.762 . 0 0 "[ . 1 . 2]" 1 654 1 27 ALA MB 1 28 ARG HA . . 4.680 4.319 4.266 4.372 . 0 0 "[ . 1 . 2]" 1 655 1 27 ALA MB 1 28 ARG HG2 . . 3.920 3.816 3.649 3.923 0.003 8 0 "[ . 1 . 2]" 1 656 1 27 ALA MB 1 28 ARG HG3 . . 3.360 2.834 2.601 2.963 . 0 0 "[ . 1 . 2]" 1 657 1 27 ALA MB 1 29 VAL H . . 4.750 4.515 4.373 4.653 . 0 0 "[ . 1 . 2]" 1 658 1 27 ALA MB 1 75 PRO HG2 . . 4.560 3.700 3.629 3.758 . 0 0 "[ . 1 . 2]" 1 659 1 27 ALA MB 1 77 GLN H . . 4.360 4.065 3.810 4.203 . 0 0 "[ . 1 . 2]" 1 660 1 27 ALA MB 1 77 GLN HA . . 3.710 2.394 2.078 2.597 . 0 0 "[ . 1 . 2]" 1 661 1 27 ALA MB 1 78 GLU H . . 3.250 2.729 2.433 2.953 . 0 0 "[ . 1 . 2]" 1 662 1 27 ALA MB 1 78 GLU HA . . 3.650 2.640 2.501 3.005 . 0 0 "[ . 1 . 2]" 1 663 1 27 ALA MB 1 78 GLU HB2 . . 3.870 3.456 3.304 3.624 . 0 0 "[ . 1 . 2]" 1 664 1 27 ALA MB 1 78 GLU HB3 . . 3.730 2.129 1.967 2.298 . 0 0 "[ . 1 . 2]" 1 665 1 27 ALA MB 1 79 GLY H . . 4.940 4.657 4.528 4.904 . 0 0 "[ . 1 . 2]" 1 666 1 27 ALA MB 1 101 VAL MG1 . . 3.020 2.386 2.233 2.564 . 0 0 "[ . 1 . 2]" 1 667 1 27 ALA MB 1 103 PRO HA . . 3.680 2.853 2.748 2.930 . 0 0 "[ . 1 . 2]" 1 668 1 27 ALA MB 1 104 THR H . . 3.450 2.558 2.413 2.747 . 0 0 "[ . 1 . 2]" 1 669 1 27 ALA MB 1 104 THR HA . . 4.620 4.397 4.241 4.596 . 0 0 "[ . 1 . 2]" 1 670 1 27 ALA MB 1 104 THR HB . . 4.280 4.224 4.068 4.284 0.004 15 0 "[ . 1 . 2]" 1 671 1 28 ARG H 1 28 ARG HB2 . . 4.070 3.532 3.490 3.595 . 0 0 "[ . 1 . 2]" 1 672 1 28 ARG H 1 28 ARG HB3 . . 4.070 4.030 4.011 4.052 . 0 0 "[ . 1 . 2]" 1 673 1 28 ARG H 1 28 ARG HG2 . . 3.690 3.058 2.919 3.217 . 0 0 "[ . 1 . 2]" 1 674 1 28 ARG H 1 28 ARG HG3 . . 3.730 3.175 2.983 3.285 . 0 0 "[ . 1 . 2]" 1 675 1 28 ARG H 1 29 VAL H . . 3.280 2.758 2.719 2.834 . 0 0 "[ . 1 . 2]" 1 676 1 28 ARG H 1 74 THR MG . . 3.420 3.119 2.970 3.230 . 0 0 "[ . 1 . 2]" 1 677 1 28 ARG H 1 75 PRO HB2 . . 4.490 3.780 3.648 3.908 . 0 0 "[ . 1 . 2]" 1 678 1 28 ARG H 1 75 PRO HD2 . . 3.910 3.868 3.745 3.914 0.004 20 0 "[ . 1 . 2]" 1 679 1 28 ARG H 1 75 PRO HD3 . . 5.380 5.180 5.066 5.261 . 0 0 "[ . 1 . 2]" 1 680 1 28 ARG H 1 75 PRO HG2 . . 3.710 2.820 2.682 2.884 . 0 0 "[ . 1 . 2]" 1 681 1 28 ARG H 1 75 PRO HG3 . . 4.690 4.583 4.448 4.648 . 0 0 "[ . 1 . 2]" 1 682 1 28 ARG H 1 76 SER HA . . 4.360 3.651 3.457 3.803 . 0 0 "[ . 1 . 2]" 1 683 1 28 ARG HA 1 28 ARG QD . . 4.580 3.850 3.650 4.165 . 0 0 "[ . 1 . 2]" 1 684 1 28 ARG HA 1 28 ARG HG2 . . 3.840 2.426 2.358 2.513 . 0 0 "[ . 1 . 2]" 1 685 1 28 ARG HA 1 28 ARG HG3 . . 3.500 3.382 3.268 3.474 . 0 0 "[ . 1 . 2]" 1 686 1 28 ARG HA 1 29 VAL H . . 3.440 2.825 2.764 2.922 . 0 0 "[ . 1 . 2]" 1 687 1 28 ARG HA 1 29 VAL HA . . 5.220 4.421 4.398 4.469 . 0 0 "[ . 1 . 2]" 1 688 1 28 ARG HA 1 74 THR MG . . 2.950 2.292 2.147 2.425 . 0 0 "[ . 1 . 2]" 1 689 1 28 ARG HA 1 76 SER HA . . 4.480 3.603 3.336 3.783 . 0 0 "[ . 1 . 2]" 1 690 1 28 ARG QB 1 28 ARG QD . . 2.940 2.166 2.011 2.379 . 0 0 "[ . 1 . 2]" 1 691 1 28 ARG QB 1 29 VAL HA . . 4.970 4.311 4.274 4.330 . 0 0 "[ . 1 . 2]" 1 692 1 28 ARG QB 1 29 VAL MG2 . . 4.170 3.476 3.335 3.718 . 0 0 "[ . 1 . 2]" 1 693 1 28 ARG QB 1 74 THR MG . . 4.600 3.757 3.601 3.895 . 0 0 "[ . 1 . 2]" 1 694 1 28 ARG HB2 1 28 ARG HD2 . . 3.980 3.203 2.602 3.870 . 0 0 "[ . 1 . 2]" 1 695 1 28 ARG HB2 1 28 ARG HD3 . . 3.980 3.282 2.488 3.941 . 0 0 "[ . 1 . 2]" 1 696 1 28 ARG HB2 1 29 VAL H . . 4.610 4.197 4.090 4.248 . 0 0 "[ . 1 . 2]" 1 697 1 28 ARG HB2 1 29 VAL MG2 . . 4.800 3.649 3.490 3.905 . 0 0 "[ . 1 . 2]" 1 698 1 28 ARG HB2 1 74 THR MG . . 5.280 4.611 4.454 4.760 . 0 0 "[ . 1 . 2]" 1 699 1 28 ARG HB3 1 28 ARG HD2 . . 3.980 2.867 2.102 3.672 . 0 0 "[ . 1 . 2]" 1 700 1 28 ARG HB3 1 28 ARG HD3 . . 3.980 2.769 2.110 3.635 . 0 0 "[ . 1 . 2]" 1 701 1 28 ARG HB3 1 29 VAL H . . 4.610 4.454 4.438 4.472 . 0 0 "[ . 1 . 2]" 1 702 1 28 ARG HB3 1 29 VAL MG2 . . 4.800 4.377 4.192 4.669 . 0 0 "[ . 1 . 2]" 1 703 1 28 ARG HB3 1 74 THR MG . . 5.280 3.980 3.803 4.134 . 0 0 "[ . 1 . 2]" 1 704 1 28 ARG QD 1 76 SER HA . . 4.950 4.695 4.232 4.952 0.002 7 0 "[ . 1 . 2]" 1 705 1 28 ARG HG2 1 29 VAL H . . 5.500 4.951 4.887 5.055 . 0 0 "[ . 1 . 2]" 1 706 1 28 ARG HG2 1 74 THR MG . . 4.280 4.007 3.850 4.105 . 0 0 "[ . 1 . 2]" 1 707 1 28 ARG HG2 1 76 SER HA . . 4.200 3.055 2.820 3.250 . 0 0 "[ . 1 . 2]" 1 708 1 28 ARG HG2 1 77 GLN H . . 5.500 5.385 5.206 5.502 0.002 8 0 "[ . 1 . 2]" 1 709 1 28 ARG HG3 1 76 SER HA . . 4.510 4.390 4.037 4.509 . 0 0 "[ . 1 . 2]" 1 710 1 29 VAL H 1 29 VAL HB . . 2.970 2.667 2.521 2.764 . 0 0 "[ . 1 . 2]" 1 711 1 29 VAL H 1 29 VAL MG1 . . 3.950 3.819 3.726 3.897 . 0 0 "[ . 1 . 2]" 1 712 1 29 VAL H 1 29 VAL MG2 . . 3.350 3.069 2.834 3.234 . 0 0 "[ . 1 . 2]" 1 713 1 29 VAL H 1 30 LEU H . . 4.660 4.426 4.386 4.479 . 0 0 "[ . 1 . 2]" 1 714 1 29 VAL H 1 31 GLN H . . 5.500 5.477 5.425 5.506 0.006 17 0 "[ . 1 . 2]" 1 715 1 29 VAL H 1 31 GLN HE21 . . 4.130 3.887 3.642 4.021 . 0 0 "[ . 1 . 2]" 1 716 1 29 VAL H 1 31 GLN HG2 . . 4.680 4.105 4.020 4.178 . 0 0 "[ . 1 . 2]" 1 717 1 29 VAL H 1 74 THR HA . . 4.660 3.863 3.746 3.976 . 0 0 "[ . 1 . 2]" 1 718 1 29 VAL H 1 74 THR MG . . 2.870 2.343 2.015 2.509 . 0 0 "[ . 1 . 2]" 1 719 1 29 VAL H 1 75 PRO HD2 . . 3.610 2.585 2.466 2.682 . 0 0 "[ . 1 . 2]" 1 720 1 29 VAL H 1 75 PRO HD3 . . 4.420 4.323 4.184 4.424 0.004 13 0 "[ . 1 . 2]" 1 721 1 29 VAL H 1 75 PRO HG2 . . 4.110 2.959 2.793 3.120 . 0 0 "[ . 1 . 2]" 1 722 1 29 VAL H 1 75 PRO HG3 . . 4.430 4.275 4.080 4.401 . 0 0 "[ . 1 . 2]" 1 723 1 29 VAL HA 1 29 VAL MG1 . . 2.980 2.438 2.309 2.537 . 0 0 "[ . 1 . 2]" 1 724 1 29 VAL HA 1 29 VAL MG2 . . 3.050 2.250 2.122 2.348 . 0 0 "[ . 1 . 2]" 1 725 1 29 VAL HA 1 30 LEU H . . 2.620 2.253 2.204 2.311 . 0 0 "[ . 1 . 2]" 1 726 1 29 VAL HA 1 30 LEU HB2 . . 4.970 4.453 4.400 4.539 . 0 0 "[ . 1 . 2]" 1 727 1 29 VAL HA 1 30 LEU QB . . 4.180 4.092 4.085 4.101 . 0 0 "[ . 1 . 2]" 1 728 1 29 VAL HA 1 30 LEU HB3 . . 4.970 4.775 4.658 4.843 . 0 0 "[ . 1 . 2]" 1 729 1 29 VAL HA 1 74 THR MG . . 4.090 3.360 3.204 3.471 . 0 0 "[ . 1 . 2]" 1 730 1 29 VAL HB 1 30 LEU H . . 4.350 3.965 3.807 4.079 . 0 0 "[ . 1 . 2]" 1 731 1 29 VAL HB 1 30 LEU HA . . 5.500 5.285 5.114 5.402 . 0 0 "[ . 1 . 2]" 1 732 1 29 VAL HB 1 31 GLN HE21 . . 3.310 2.073 1.902 2.350 . 0 0 "[ . 1 . 2]" 1 733 1 29 VAL HB 1 31 GLN HE22 . . 3.700 3.064 2.753 3.284 . 0 0 "[ . 1 . 2]" 1 734 1 29 VAL HB 1 75 PRO HG2 . . 5.500 4.077 3.887 4.328 . 0 0 "[ . 1 . 2]" 1 735 1 29 VAL MG1 1 30 LEU H . . 3.210 2.047 1.934 2.250 . 0 0 "[ . 1 . 2]" 1 736 1 29 VAL MG1 1 30 LEU HA . . 4.410 3.849 3.716 3.980 . 0 0 "[ . 1 . 2]" 1 737 1 29 VAL MG1 1 31 GLN HA . . 4.360 4.002 3.785 4.240 . 0 0 "[ . 1 . 2]" 1 738 1 29 VAL MG1 1 31 GLN HE21 . . 3.560 2.556 2.207 3.134 . 0 0 "[ . 1 . 2]" 1 739 1 29 VAL MG1 1 31 GLN HE22 . . 3.400 2.483 2.215 2.838 . 0 0 "[ . 1 . 2]" 1 740 1 29 VAL MG1 1 31 GLN HG2 . . 4.460 3.250 2.913 3.660 . 0 0 "[ . 1 . 2]" 1 741 1 29 VAL MG2 1 30 LEU H . . 4.340 3.740 3.569 3.930 . 0 0 "[ . 1 . 2]" 1 742 1 29 VAL MG2 1 31 GLN HE21 . . 4.050 3.633 3.484 3.872 . 0 0 "[ . 1 . 2]" 1 743 1 29 VAL MG2 1 104 THR HA . . 4.260 3.664 3.474 3.871 . 0 0 "[ . 1 . 2]" 1 744 1 30 LEU H 1 30 LEU HB2 . . 2.950 2.505 2.433 2.587 . 0 0 "[ . 1 . 2]" 1 745 1 30 LEU H 1 30 LEU HB3 . . 2.950 2.527 2.437 2.587 . 0 0 "[ . 1 . 2]" 1 746 1 30 LEU H 1 30 LEU MD1 . . 4.980 4.072 3.970 4.201 . 0 0 "[ . 1 . 2]" 1 747 1 30 LEU H 1 30 LEU MD2 . . 4.220 4.179 4.115 4.217 . 0 0 "[ . 1 . 2]" 1 748 1 30 LEU H 1 30 LEU HG . . 4.530 4.475 4.433 4.502 . 0 0 "[ . 1 . 2]" 1 749 1 30 LEU H 1 31 GLN H . . 4.660 4.411 4.368 4.443 . 0 0 "[ . 1 . 2]" 1 750 1 30 LEU H 1 74 THR MG . . 4.390 3.942 3.699 4.150 . 0 0 "[ . 1 . 2]" 1 751 1 30 LEU HA 1 30 LEU MD1 . . 2.920 2.331 2.134 2.607 . 0 0 "[ . 1 . 2]" 1 752 1 30 LEU HA 1 30 LEU MD2 . . 4.000 3.918 3.900 3.945 . 0 0 "[ . 1 . 2]" 1 753 1 30 LEU HA 1 30 LEU HG . . 3.600 2.882 2.825 3.002 . 0 0 "[ . 1 . 2]" 1 754 1 30 LEU HA 1 31 GLN H . . 2.740 2.146 2.141 2.152 . 0 0 "[ . 1 . 2]" 1 755 1 30 LEU HA 1 31 GLN HG2 . . 4.700 3.804 3.761 3.857 . 0 0 "[ . 1 . 2]" 1 756 1 30 LEU HA 1 31 GLN HG3 . . 5.500 5.492 5.459 5.512 0.012 17 0 "[ . 1 . 2]" 1 757 1 30 LEU HA 1 73 TYR H . . 4.740 4.489 4.409 4.576 . 0 0 "[ . 1 . 2]" 1 758 1 30 LEU HA 1 74 THR HA . . 3.800 3.645 3.536 3.748 . 0 0 "[ . 1 . 2]" 1 759 1 30 LEU HA 1 74 THR HG1 . . 4.990 2.220 1.999 3.322 . 0 0 "[ . 1 . 2]" 1 760 1 30 LEU HA 1 75 PRO HD3 . . 5.500 5.394 5.253 5.493 . 0 0 "[ . 1 . 2]" 1 761 1 30 LEU QB 1 30 LEU MD1 . . 3.140 2.153 2.003 2.247 . 0 0 "[ . 1 . 2]" 1 762 1 30 LEU HB2 1 30 LEU MD2 . . 3.110 2.569 2.459 2.687 . 0 0 "[ . 1 . 2]" 1 763 1 30 LEU HB2 1 31 GLN H . . 4.580 4.402 4.366 4.445 . 0 0 "[ . 1 . 2]" 1 764 1 30 LEU HB3 1 30 LEU MD2 . . 3.110 2.073 1.967 2.203 . 0 0 "[ . 1 . 2]" 1 765 1 30 LEU HB3 1 31 GLN H . . 4.580 4.316 4.263 4.380 . 0 0 "[ . 1 . 2]" 1 766 1 30 LEU MD1 1 31 GLN H . . 3.530 3.386 3.088 3.535 0.005 10 0 "[ . 1 . 2]" 1 767 1 30 LEU MD1 1 32 SER QB . . 4.790 4.082 3.792 4.225 . 0 0 "[ . 1 . 2]" 1 768 1 30 LEU MD1 1 72 THR HA . . 4.700 4.365 3.910 4.589 . 0 0 "[ . 1 . 2]" 1 769 1 30 LEU MD1 1 72 THR HB . . 3.240 2.810 2.349 3.054 . 0 0 "[ . 1 . 2]" 1 770 1 30 LEU MD1 1 72 THR MG . . 3.390 3.271 3.030 3.380 . 0 0 "[ . 1 . 2]" 1 771 1 30 LEU MD1 1 73 TYR H . . 4.010 3.725 3.403 3.957 . 0 0 "[ . 1 . 2]" 1 772 1 30 LEU MD1 1 74 THR HG1 . . 3.760 2.999 2.744 3.356 . 0 0 "[ . 1 . 2]" 1 773 1 30 LEU MD2 1 31 GLN H . . 4.840 4.735 4.691 4.805 . 0 0 "[ . 1 . 2]" 1 774 1 30 LEU MD2 1 32 SER HB2 . . 5.180 4.083 3.833 4.339 . 0 0 "[ . 1 . 2]" 1 775 1 30 LEU MD2 1 32 SER QB . . 4.320 3.777 3.609 3.932 . 0 0 "[ . 1 . 2]" 1 776 1 30 LEU MD2 1 32 SER HB3 . . 5.180 4.473 4.140 4.824 . 0 0 "[ . 1 . 2]" 1 777 1 30 LEU MD2 1 72 THR HA . . 5.500 5.483 5.408 5.503 0.003 2 0 "[ . 1 . 2]" 1 778 1 30 LEU MD2 1 74 THR HG1 . . 5.500 5.348 5.188 5.499 . 0 0 "[ . 1 . 2]" 1 779 1 30 LEU HG 1 31 GLN H . . 3.460 3.285 3.220 3.383 . 0 0 "[ . 1 . 2]" 1 780 1 30 LEU HG 1 72 THR HB . . 4.440 4.118 3.809 4.287 . 0 0 "[ . 1 . 2]" 1 781 1 30 LEU HG 1 72 THR MG . . 4.150 3.937 3.771 4.037 . 0 0 "[ . 1 . 2]" 1 782 1 30 LEU HG 1 73 TYR H . . 4.640 4.335 4.196 4.498 . 0 0 "[ . 1 . 2]" 1 783 1 31 GLN H 1 31 GLN HB2 . . 3.420 2.675 2.627 2.719 . 0 0 "[ . 1 . 2]" 1 784 1 31 GLN H 1 31 GLN HB3 . . 3.910 3.766 3.742 3.790 . 0 0 "[ . 1 . 2]" 1 785 1 31 GLN H 1 31 GLN HE21 . . 5.110 4.905 4.690 5.097 . 0 0 "[ . 1 . 2]" 1 786 1 31 GLN H 1 31 GLN HG2 . . 3.650 2.648 2.512 2.733 . 0 0 "[ . 1 . 2]" 1 787 1 31 GLN H 1 31 GLN HG3 . . 4.290 3.992 3.920 4.074 . 0 0 "[ . 1 . 2]" 1 788 1 31 GLN H 1 32 SER H . . 5.160 4.381 4.343 4.432 . 0 0 "[ . 1 . 2]" 1 789 1 31 GLN H 1 72 THR MG . . 5.390 5.344 5.254 5.393 0.003 17 0 "[ . 1 . 2]" 1 790 1 31 GLN H 1 73 TYR H . . 3.340 3.096 2.997 3.164 . 0 0 "[ . 1 . 2]" 1 791 1 31 GLN H 1 73 TYR QD . . 5.080 4.455 4.352 4.629 . 0 0 "[ . 1 . 2]" 1 792 1 31 GLN H 1 73 TYR QE . . 5.160 4.873 4.749 5.165 0.005 2 0 "[ . 1 . 2]" 1 793 1 31 GLN H 1 74 THR HA . . 3.850 3.160 3.031 3.277 . 0 0 "[ . 1 . 2]" 1 794 1 31 GLN H 1 74 THR HG1 . . 4.380 3.084 2.692 4.385 0.005 18 0 "[ . 1 . 2]" 1 795 1 31 GLN H 1 74 THR MG . . 4.700 4.249 4.011 4.398 . 0 0 "[ . 1 . 2]" 1 796 1 31 GLN H 1 75 PRO HD2 . . 5.060 4.122 4.021 4.227 . 0 0 "[ . 1 . 2]" 1 797 1 31 GLN H 1 75 PRO HD3 . . 4.530 4.216 4.106 4.320 . 0 0 "[ . 1 . 2]" 1 798 1 31 GLN HA 1 31 GLN HE21 . . 5.500 4.499 4.326 4.684 . 0 0 "[ . 1 . 2]" 1 799 1 31 GLN HA 1 31 GLN HE22 . . 4.840 4.405 4.306 4.508 . 0 0 "[ . 1 . 2]" 1 800 1 31 GLN HA 1 32 SER H . . 2.710 2.155 2.147 2.177 . 0 0 "[ . 1 . 2]" 1 801 1 31 GLN HA 1 32 SER HA . . 4.870 4.410 4.405 4.427 . 0 0 "[ . 1 . 2]" 1 802 1 31 GLN HA 1 32 SER HB2 . . 4.900 4.486 4.332 4.725 . 0 0 "[ . 1 . 2]" 1 803 1 31 GLN HA 1 32 SER QB . . 4.300 4.044 4.013 4.061 . 0 0 "[ . 1 . 2]" 1 804 1 31 GLN HA 1 32 SER HB3 . . 4.900 4.613 4.407 4.814 . 0 0 "[ . 1 . 2]" 1 805 1 31 GLN HA 1 73 TYR H . . 4.980 4.793 4.680 4.869 . 0 0 "[ . 1 . 2]" 1 806 1 31 GLN HB2 1 32 SER H . . 4.370 4.109 4.030 4.148 . 0 0 "[ . 1 . 2]" 1 807 1 31 GLN HB2 1 72 THR HA . . 5.500 5.232 4.995 5.366 . 0 0 "[ . 1 . 2]" 1 808 1 31 GLN HB2 1 73 TYR H . . 3.880 3.739 3.481 3.885 0.005 15 0 "[ . 1 . 2]" 1 809 1 31 GLN HB2 1 73 TYR QD . . 3.790 3.236 3.075 3.418 . 0 0 "[ . 1 . 2]" 1 810 1 31 GLN HB2 1 73 TYR QE . . 4.050 2.808 2.670 3.128 . 0 0 "[ . 1 . 2]" 1 811 1 31 GLN HB2 1 74 THR H . . 5.090 5.076 5.029 5.094 0.004 2 0 "[ . 1 . 2]" 1 812 1 31 GLN HB2 1 75 PRO HD3 . . 4.890 3.178 2.989 3.371 . 0 0 "[ . 1 . 2]" 1 813 1 31 GLN HB3 1 32 SER H . . 3.530 3.269 3.132 3.321 . 0 0 "[ . 1 . 2]" 1 814 1 31 GLN HB3 1 32 SER HA . . 5.280 4.542 4.481 4.600 . 0 0 "[ . 1 . 2]" 1 815 1 31 GLN HB3 1 73 TYR H . . 5.140 4.969 4.740 5.132 . 0 0 "[ . 1 . 2]" 1 816 1 31 GLN HB3 1 73 TYR QD . . 4.370 4.115 3.913 4.288 . 0 0 "[ . 1 . 2]" 1 817 1 31 GLN HB3 1 73 TYR QE . . 3.830 2.808 2.552 3.222 . 0 0 "[ . 1 . 2]" 1 818 1 31 GLN HB3 1 73 TYR HH . . 4.540 3.371 2.819 3.860 . 0 0 "[ . 1 . 2]" 1 819 1 31 GLN HB3 1 75 PRO HD2 . . 5.460 5.261 5.121 5.366 . 0 0 "[ . 1 . 2]" 1 820 1 31 GLN HB3 1 75 PRO HD3 . . 4.610 4.398 4.231 4.522 . 0 0 "[ . 1 . 2]" 1 821 1 31 GLN HE21 1 75 PRO HD2 . . 4.660 3.705 3.404 3.845 . 0 0 "[ . 1 . 2]" 1 822 1 31 GLN HE21 1 75 PRO HD3 . . 4.870 4.271 3.932 4.421 . 0 0 "[ . 1 . 2]" 1 823 1 31 GLN HE21 1 75 PRO HG2 . . 5.460 3.972 3.708 4.167 . 0 0 "[ . 1 . 2]" 1 824 1 31 GLN HE21 1 75 PRO HG3 . . 5.090 3.677 3.304 3.937 . 0 0 "[ . 1 . 2]" 1 825 1 31 GLN HE22 1 31 GLN HG2 . . 3.850 3.559 3.514 3.625 . 0 0 "[ . 1 . 2]" 1 826 1 31 GLN HE22 1 75 PRO HD2 . . 5.500 5.384 5.103 5.501 0.001 15 0 "[ . 1 . 2]" 1 827 1 31 GLN HE22 1 75 PRO HG3 . . 5.450 5.140 4.870 5.278 . 0 0 "[ . 1 . 2]" 1 828 1 31 GLN HG2 1 32 SER H . . 5.330 5.125 5.065 5.186 . 0 0 "[ . 1 . 2]" 1 829 1 31 GLN HG2 1 73 TYR H . . 5.500 5.302 5.116 5.445 . 0 0 "[ . 1 . 2]" 1 830 1 31 GLN HG2 1 73 TYR QD . . 5.320 4.855 4.673 5.042 . 0 0 "[ . 1 . 2]" 1 831 1 31 GLN HG2 1 73 TYR QE . . 4.650 4.237 4.071 4.499 . 0 0 "[ . 1 . 2]" 1 832 1 31 GLN HG2 1 74 THR HA . . 5.020 3.240 3.030 3.346 . 0 0 "[ . 1 . 2]" 1 833 1 31 GLN HG2 1 75 PRO HD2 . . 4.130 2.734 2.614 2.849 . 0 0 "[ . 1 . 2]" 1 834 1 31 GLN HG2 1 75 PRO HD3 . . 4.080 2.900 2.746 3.042 . 0 0 "[ . 1 . 2]" 1 835 1 31 GLN HG2 1 75 PRO HG2 . . 5.120 4.269 4.163 4.391 . 0 0 "[ . 1 . 2]" 1 836 1 31 GLN HG2 1 75 PRO HG3 . . 4.730 3.758 3.605 3.885 . 0 0 "[ . 1 . 2]" 1 837 1 31 GLN HG3 1 73 TYR QE . . 4.250 3.341 3.153 3.644 . 0 0 "[ . 1 . 2]" 1 838 1 31 GLN HG3 1 73 TYR HH . . 5.210 3.695 3.345 4.196 . 0 0 "[ . 1 . 2]" 1 839 1 31 GLN HG3 1 74 THR HA . . 4.290 4.098 3.944 4.262 . 0 0 "[ . 1 . 2]" 1 840 1 31 GLN HG3 1 75 PRO HD2 . . 4.300 3.260 3.125 3.346 . 0 0 "[ . 1 . 2]" 1 841 1 31 GLN HG3 1 75 PRO HD3 . . 4.050 2.601 2.470 2.769 . 0 0 "[ . 1 . 2]" 1 842 1 31 GLN HG3 1 75 PRO HG2 . . 5.500 4.073 3.945 4.233 . 0 0 "[ . 1 . 2]" 1 843 1 31 GLN HG3 1 75 PRO HG3 . . 3.640 2.877 2.730 3.014 . 0 0 "[ . 1 . 2]" 1 844 1 32 SER H 1 32 SER HB2 . . 3.470 3.260 3.109 3.453 . 0 0 "[ . 1 . 2]" 1 845 1 32 SER H 1 32 SER HB3 . . 3.470 2.879 2.760 3.012 . 0 0 "[ . 1 . 2]" 1 846 1 32 SER H 1 33 PHE H . . 4.460 4.389 4.357 4.426 . 0 0 "[ . 1 . 2]" 1 847 1 32 SER H 1 33 PHE HA . . 4.980 4.836 4.797 4.899 . 0 0 "[ . 1 . 2]" 1 848 1 32 SER H 1 33 PHE QD . . 4.960 4.189 3.997 4.365 . 0 0 "[ . 1 . 2]" 1 849 1 32 SER H 1 72 THR HA . . 5.030 4.736 4.635 4.808 . 0 0 "[ . 1 . 2]" 1 850 1 32 SER H 1 72 THR MG . . 5.040 4.925 4.767 5.042 0.002 12 0 "[ . 1 . 2]" 1 851 1 32 SER HA 1 33 PHE H . . 2.680 2.313 2.261 2.416 . 0 0 "[ . 1 . 2]" 1 852 1 32 SER HA 1 33 PHE HA . . 5.060 4.475 4.446 4.535 . 0 0 "[ . 1 . 2]" 1 853 1 32 SER HA 1 33 PHE QD . . 4.610 2.651 2.484 2.816 . 0 0 "[ . 1 . 2]" 1 854 1 32 SER HA 1 71 VAL H . . 4.510 4.247 4.136 4.412 . 0 0 "[ . 1 . 2]" 1 855 1 32 SER HA 1 71 VAL HB . . 4.930 4.420 4.292 4.542 . 0 0 "[ . 1 . 2]" 1 856 1 32 SER HA 1 72 THR HA . . 3.320 2.544 2.415 2.615 . 0 0 "[ . 1 . 2]" 1 857 1 32 SER HA 1 72 THR HB . . 4.930 4.835 4.608 4.933 0.003 2 0 "[ . 1 . 2]" 1 858 1 32 SER HA 1 72 THR MG . . 3.870 3.549 3.297 3.762 . 0 0 "[ . 1 . 2]" 1 859 1 32 SER HA 1 73 TYR H . . 3.810 3.645 3.503 3.773 . 0 0 "[ . 1 . 2]" 1 860 1 32 SER QB 1 33 PHE H . . 3.500 3.397 3.192 3.498 . 0 0 "[ . 1 . 2]" 1 861 1 32 SER QB 1 71 VAL H . . 5.340 4.710 4.582 4.847 . 0 0 "[ . 1 . 2]" 1 862 1 32 SER QB 1 72 THR HB . . 4.660 3.601 3.397 3.710 . 0 0 "[ . 1 . 2]" 1 863 1 32 SER QB 1 72 THR MG . . 2.950 1.997 1.943 2.102 . 0 0 "[ . 1 . 2]" 1 864 1 32 SER HB2 1 33 PHE H . . 4.090 3.939 3.823 4.060 . 0 0 "[ . 1 . 2]" 1 865 1 32 SER HB2 1 70 THR MG . . 4.120 3.906 3.629 4.126 0.006 18 0 "[ . 1 . 2]" 1 866 1 32 SER HB2 1 72 THR HA . . 4.560 2.593 2.178 2.861 . 0 0 "[ . 1 . 2]" 1 867 1 32 SER HB2 1 72 THR HB . . 5.460 3.659 3.450 3.775 . 0 0 "[ . 1 . 2]" 1 868 1 32 SER HB2 1 72 THR MG . . 3.400 2.016 1.962 2.128 . 0 0 "[ . 1 . 2]" 1 869 1 32 SER HB3 1 33 PHE H . . 4.090 3.722 3.396 4.009 . 0 0 "[ . 1 . 2]" 1 870 1 32 SER HB3 1 70 THR MG . . 4.120 3.961 3.761 4.090 . 0 0 "[ . 1 . 2]" 1 871 1 32 SER HB3 1 72 THR HA . . 4.560 4.162 3.874 4.324 . 0 0 "[ . 1 . 2]" 1 872 1 32 SER HB3 1 72 THR HB . . 5.460 5.374 5.084 5.458 . 0 0 "[ . 1 . 2]" 1 873 1 32 SER HB3 1 72 THR MG . . 3.400 3.267 3.129 3.392 . 0 0 "[ . 1 . 2]" 1 874 1 33 PHE H 1 33 PHE QD . . 3.820 2.467 2.283 2.671 . 0 0 "[ . 1 . 2]" 1 875 1 33 PHE H 1 34 THR H . . 4.510 4.385 4.362 4.412 . 0 0 "[ . 1 . 2]" 1 876 1 33 PHE H 1 34 THR HA . . 4.820 4.711 4.653 4.754 . 0 0 "[ . 1 . 2]" 1 877 1 33 PHE H 1 70 THR HA . . 4.580 4.293 4.212 4.390 . 0 0 "[ . 1 . 2]" 1 878 1 33 PHE H 1 70 THR MG . . 3.610 3.518 3.375 3.595 . 0 0 "[ . 1 . 2]" 1 879 1 33 PHE H 1 71 VAL H . . 3.390 2.733 2.648 2.811 . 0 0 "[ . 1 . 2]" 1 880 1 33 PHE H 1 71 VAL HB . . 3.720 3.473 3.325 3.609 . 0 0 "[ . 1 . 2]" 1 881 1 33 PHE H 1 71 VAL MG2 . . 4.660 4.508 4.406 4.626 . 0 0 "[ . 1 . 2]" 1 882 1 33 PHE H 1 72 THR HA . . 4.350 4.169 4.057 4.249 . 0 0 "[ . 1 . 2]" 1 883 1 33 PHE HA 1 33 PHE QD . . 4.050 3.630 3.586 3.671 . 0 0 "[ . 1 . 2]" 1 884 1 33 PHE HA 1 34 THR H . . 2.960 2.575 2.450 2.638 . 0 0 "[ . 1 . 2]" 1 885 1 33 PHE HA 1 34 THR HA . . 4.800 4.427 4.384 4.451 . 0 0 "[ . 1 . 2]" 1 886 1 33 PHE HA 1 34 THR HB . . 4.810 4.757 4.711 4.802 . 0 0 "[ . 1 . 2]" 1 887 1 33 PHE HB2 1 34 THR H . . 3.140 2.071 1.946 2.321 . 0 0 "[ . 1 . 2]" 1 888 1 33 PHE HB3 1 34 THR H . . 3.640 3.488 3.389 3.642 0.002 11 0 "[ . 1 . 2]" 1 889 1 33 PHE QD 1 34 THR H . . 3.630 3.334 3.121 3.632 0.002 18 0 "[ . 1 . 2]" 1 890 1 33 PHE QD 1 34 THR HA . . 5.480 4.368 4.135 4.493 . 0 0 "[ . 1 . 2]" 1 891 1 33 PHE QD 1 35 VAL H . . 4.980 4.641 4.337 4.860 . 0 0 "[ . 1 . 2]" 1 892 1 33 PHE QD 1 35 VAL MG2 . . 3.150 2.500 2.266 2.734 . 0 0 "[ . 1 . 2]" 1 893 1 33 PHE QD 1 71 VAL H . . 4.830 4.321 4.201 4.408 . 0 0 "[ . 1 . 2]" 1 894 1 33 PHE QD 1 71 VAL HB . . 4.170 3.492 3.407 3.582 . 0 0 "[ . 1 . 2]" 1 895 1 33 PHE QD 1 71 VAL MG1 . . 4.240 4.041 3.856 4.207 . 0 0 "[ . 1 . 2]" 1 896 1 33 PHE QD 1 71 VAL MG2 . . 4.100 4.033 3.944 4.098 . 0 0 "[ . 1 . 2]" 1 897 1 33 PHE QD 1 73 TYR QE . . 3.490 3.246 2.915 3.458 . 0 0 "[ . 1 . 2]" 1 898 1 33 PHE QD 1 73 TYR HH . . 5.410 5.191 4.796 5.411 0.001 12 0 "[ . 1 . 2]" 1 899 1 33 PHE QE 1 35 VAL MG2 . . 3.080 2.314 2.081 2.581 . 0 0 "[ . 1 . 2]" 1 900 1 33 PHE QE 1 47 VAL MG2 . . 3.940 3.649 3.453 3.941 0.001 20 0 "[ . 1 . 2]" 1 901 1 33 PHE QE 1 49 VAL MG2 . . 5.420 4.909 4.669 5.382 . 0 0 "[ . 1 . 2]" 1 902 1 33 PHE QE 1 71 VAL HB . . 4.520 2.712 2.625 2.823 . 0 0 "[ . 1 . 2]" 1 903 1 33 PHE QE 1 71 VAL MG1 . . 3.320 2.374 2.159 2.709 . 0 0 "[ . 1 . 2]" 1 904 1 33 PHE QE 1 71 VAL MG2 . . 3.600 3.027 2.839 3.216 . 0 0 "[ . 1 . 2]" 1 905 1 33 PHE QE 1 73 TYR QD . . 3.500 2.501 2.231 2.687 . 0 0 "[ . 1 . 2]" 1 906 1 33 PHE QE 1 73 TYR QE . . 3.640 3.225 2.998 3.535 . 0 0 "[ . 1 . 2]" 1 907 1 33 PHE QE 1 83 VAL MG1 . . 3.610 3.570 3.525 3.612 0.002 14 0 "[ . 1 . 2]" 1 908 1 33 PHE QE 1 83 VAL MG2 . . 4.540 4.356 4.273 4.486 . 0 0 "[ . 1 . 2]" 1 909 1 33 PHE QE 1 85 VAL MG2 . . 3.580 3.480 3.354 3.580 0.000 4 0 "[ . 1 . 2]" 1 910 1 33 PHE HZ 1 47 VAL MG1 . . 3.380 2.690 2.380 2.975 . 0 0 "[ . 1 . 2]" 1 911 1 33 PHE HZ 1 47 VAL MG2 . . 3.940 3.195 2.921 3.440 . 0 0 "[ . 1 . 2]" 1 912 1 33 PHE HZ 1 71 VAL HB . . 5.130 2.722 2.645 2.881 . 0 0 "[ . 1 . 2]" 1 913 1 33 PHE HZ 1 71 VAL MG1 . . 3.570 2.189 1.990 2.775 . 0 0 "[ . 1 . 2]" 1 914 1 33 PHE HZ 1 71 VAL MG2 . . 3.920 2.965 2.793 3.099 . 0 0 "[ . 1 . 2]" 1 915 1 33 PHE HZ 1 83 VAL MG1 . . 3.400 3.074 2.995 3.246 . 0 0 "[ . 1 . 2]" 1 916 1 33 PHE HZ 1 85 VAL MG2 . . 4.000 3.919 3.733 4.004 0.004 17 0 "[ . 1 . 2]" 1 917 1 34 THR H 1 34 THR HB . . 3.120 2.641 2.576 2.700 . 0 0 "[ . 1 . 2]" 1 918 1 34 THR H 1 34 THR MG . . 4.000 3.857 3.831 3.881 . 0 0 "[ . 1 . 2]" 1 919 1 34 THR HA 1 34 THR MG . . 3.250 2.351 2.269 2.442 . 0 0 "[ . 1 . 2]" 1 920 1 34 THR HA 1 35 VAL H . . 2.740 2.173 2.155 2.213 . 0 0 "[ . 1 . 2]" 1 921 1 34 THR HA 1 35 VAL HA . . 4.830 4.393 4.389 4.401 . 0 0 "[ . 1 . 2]" 1 922 1 34 THR HA 1 35 VAL HB . . 4.670 4.641 4.589 4.673 0.003 10 0 "[ . 1 . 2]" 1 923 1 34 THR HA 1 35 VAL MG2 . . 4.090 3.572 3.339 3.741 . 0 0 "[ . 1 . 2]" 1 924 1 34 THR HA 1 69 HIS H . . 4.170 4.054 3.922 4.138 . 0 0 "[ . 1 . 2]" 1 925 1 34 THR HA 1 70 THR HA . . 3.480 2.890 2.547 3.115 . 0 0 "[ . 1 . 2]" 1 926 1 34 THR HA 1 71 VAL H . . 4.200 4.062 3.840 4.192 . 0 0 "[ . 1 . 2]" 1 927 1 34 THR HA 1 71 VAL MG2 . . 4.780 4.616 4.388 4.766 . 0 0 "[ . 1 . 2]" 1 928 1 34 THR HB 1 35 VAL H . . 4.260 4.102 3.976 4.186 . 0 0 "[ . 1 . 2]" 1 929 1 34 THR MG 1 35 VAL H . . 3.380 2.371 2.068 2.595 . 0 0 "[ . 1 . 2]" 1 930 1 34 THR MG 1 35 VAL HA . . 4.640 3.746 3.620 3.883 . 0 0 "[ . 1 . 2]" 1 931 1 34 THR MG 1 35 VAL HB . . 4.740 4.448 4.286 4.562 . 0 0 "[ . 1 . 2]" 1 932 1 34 THR MG 1 36 ASP H . . 4.930 3.683 3.558 3.854 . 0 0 "[ . 1 . 2]" 1 933 1 34 THR MG 1 36 ASP HA . . 4.350 3.875 3.791 3.956 . 0 0 "[ . 1 . 2]" 1 934 1 34 THR MG 1 36 ASP HB2 . . 4.120 3.490 3.364 3.671 . 0 0 "[ . 1 . 2]" 1 935 1 34 THR MG 1 36 ASP HB3 . . 4.920 4.812 4.711 4.917 . 0 0 "[ . 1 . 2]" 1 936 1 34 THR MG 1 64 ASN QD . . 4.460 3.404 3.074 3.623 . 0 0 "[ . 1 . 2]" 1 937 1 34 THR MG 1 68 THR HA . . 4.090 3.954 3.805 4.095 0.005 18 0 "[ . 1 . 2]" 1 938 1 34 THR MG 1 68 THR HB . . 3.180 2.029 1.922 2.182 . 0 0 "[ . 1 . 2]" 1 939 1 34 THR MG 1 69 HIS H . . 3.670 3.003 2.640 3.239 . 0 0 "[ . 1 . 2]" 1 940 1 35 VAL H 1 35 VAL HB . . 3.330 2.626 2.563 2.692 . 0 0 "[ . 1 . 2]" 1 941 1 35 VAL H 1 35 VAL MG1 . . 4.130 3.847 3.819 3.876 . 0 0 "[ . 1 . 2]" 1 942 1 35 VAL H 1 35 VAL MG2 . . 3.480 2.663 2.507 2.785 . 0 0 "[ . 1 . 2]" 1 943 1 35 VAL H 1 36 ASP H . . 4.840 4.163 4.126 4.208 . 0 0 "[ . 1 . 2]" 1 944 1 35 VAL H 1 45 LEU MD2 . . 4.840 4.738 4.513 4.840 . 0 0 "[ . 1 . 2]" 1 945 1 35 VAL H 1 68 THR HA . . 4.570 4.468 4.334 4.546 . 0 0 "[ . 1 . 2]" 1 946 1 35 VAL H 1 68 THR HB . . 4.010 3.147 2.938 3.289 . 0 0 "[ . 1 . 2]" 1 947 1 35 VAL H 1 69 HIS H . . 3.490 2.370 2.206 2.446 . 0 0 "[ . 1 . 2]" 1 948 1 35 VAL H 1 69 HIS HB2 . . 4.070 3.779 3.589 3.866 . 0 0 "[ . 1 . 2]" 1 949 1 35 VAL H 1 69 HIS HB3 . . 5.090 5.019 4.842 5.093 0.003 17 0 "[ . 1 . 2]" 1 950 1 35 VAL H 1 69 HIS HD2 . . 5.200 4.819 4.553 5.028 . 0 0 "[ . 1 . 2]" 1 951 1 35 VAL H 1 70 THR HA . . 3.970 3.721 3.599 3.824 . 0 0 "[ . 1 . 2]" 1 952 1 35 VAL H 1 71 VAL MG2 . . 4.550 4.247 4.056 4.379 . 0 0 "[ . 1 . 2]" 1 953 1 35 VAL HA 1 35 VAL MG1 . . 3.270 2.320 2.239 2.449 . 0 0 "[ . 1 . 2]" 1 954 1 35 VAL HA 1 35 VAL MG2 . . 3.370 2.383 2.285 2.478 . 0 0 "[ . 1 . 2]" 1 955 1 35 VAL HA 1 36 ASP H . . 2.880 2.161 2.152 2.168 . 0 0 "[ . 1 . 2]" 1 956 1 35 VAL HA 1 36 ASP HA . . 5.130 4.420 4.411 4.426 . 0 0 "[ . 1 . 2]" 1 957 1 35 VAL HA 1 36 ASP HB2 . . 5.120 4.592 4.558 4.670 . 0 0 "[ . 1 . 2]" 1 958 1 35 VAL HA 1 36 ASP HB3 . . 4.810 4.723 4.628 4.770 . 0 0 "[ . 1 . 2]" 1 959 1 35 VAL HA 1 69 HIS H . . 4.640 4.395 4.258 4.472 . 0 0 "[ . 1 . 2]" 1 960 1 35 VAL HA 1 69 HIS HB2 . . 5.500 5.190 5.031 5.290 . 0 0 "[ . 1 . 2]" 1 961 1 35 VAL HB 1 36 ASP H . . 5.200 4.367 4.322 4.404 . 0 0 "[ . 1 . 2]" 1 962 1 35 VAL HB 1 37 SER H . . 5.440 5.066 4.750 5.315 . 0 0 "[ . 1 . 2]" 1 963 1 35 VAL HB 1 45 LEU MD2 . . 3.730 2.639 2.476 2.782 . 0 0 "[ . 1 . 2]" 1 964 1 35 VAL HB 1 68 THR HA . . 5.420 4.512 4.430 4.584 . 0 0 "[ . 1 . 2]" 1 965 1 35 VAL HB 1 69 HIS H . . 3.870 2.916 2.698 3.070 . 0 0 "[ . 1 . 2]" 1 966 1 35 VAL HB 1 69 HIS HB2 . . 3.450 2.233 2.064 2.376 . 0 0 "[ . 1 . 2]" 1 967 1 35 VAL HB 1 69 HIS HB3 . . 4.130 3.949 3.771 4.124 . 0 0 "[ . 1 . 2]" 1 968 1 35 VAL HB 1 69 HIS HD2 . . 4.220 3.579 3.393 3.783 . 0 0 "[ . 1 . 2]" 1 969 1 35 VAL HB 1 71 VAL MG2 . . 4.010 3.795 3.520 3.998 . 0 0 "[ . 1 . 2]" 1 970 1 35 VAL MG1 1 36 ASP H . . 3.530 2.949 2.845 3.040 . 0 0 "[ . 1 . 2]" 1 971 1 35 VAL MG1 1 37 SER H . . 4.350 3.869 3.639 4.113 . 0 0 "[ . 1 . 2]" 1 972 1 35 VAL MG1 1 37 SER HB2 . . 4.390 4.271 4.026 4.389 . 0 0 "[ . 1 . 2]" 1 973 1 35 VAL MG1 1 45 LEU MD2 . . 3.390 2.008 1.785 2.246 . 0 0 "[ . 1 . 2]" 1 974 1 35 VAL MG1 1 69 HIS H . . 4.690 4.080 3.806 4.247 . 0 0 "[ . 1 . 2]" 1 975 1 35 VAL MG1 1 69 HIS HB2 . . 4.110 3.385 3.135 3.632 . 0 0 "[ . 1 . 2]" 1 976 1 35 VAL MG1 1 69 HIS HB3 . . 5.080 4.827 4.569 5.079 . 0 0 "[ . 1 . 2]" 1 977 1 35 VAL MG1 1 69 HIS HD2 . . 4.000 3.612 3.337 3.977 . 0 0 "[ . 1 . 2]" 1 978 1 35 VAL MG2 1 36 ASP H . . 4.380 4.200 4.149 4.235 . 0 0 "[ . 1 . 2]" 1 979 1 35 VAL MG2 1 45 LEU MD2 . . 3.280 2.270 1.975 2.628 . 0 0 "[ . 1 . 2]" 1 980 1 35 VAL MG2 1 69 HIS HB2 . . 4.020 3.260 3.046 3.417 . 0 0 "[ . 1 . 2]" 1 981 1 35 VAL MG2 1 69 HIS HB3 . . 4.600 4.389 4.122 4.603 0.003 8 0 "[ . 1 . 2]" 1 982 1 35 VAL MG2 1 71 VAL H . . 4.660 4.180 3.992 4.417 . 0 0 "[ . 1 . 2]" 1 983 1 35 VAL MG2 1 71 VAL MG2 . . 3.020 2.206 1.918 2.482 . 0 0 "[ . 1 . 2]" 1 984 1 36 ASP H 1 36 ASP HB2 . . 3.590 2.651 2.583 2.761 . 0 0 "[ . 1 . 2]" 1 985 1 36 ASP H 1 36 ASP HB3 . . 3.380 2.573 2.484 2.617 . 0 0 "[ . 1 . 2]" 1 986 1 36 ASP H 1 37 SER H . . 4.400 4.257 4.141 4.353 . 0 0 "[ . 1 . 2]" 1 987 1 36 ASP HA 1 37 SER H . . 2.750 2.172 2.145 2.218 . 0 0 "[ . 1 . 2]" 1 988 1 36 ASP HA 1 37 SER HA . . 5.220 4.397 4.387 4.424 . 0 0 "[ . 1 . 2]" 1 989 1 36 ASP HA 1 38 SER H . . 3.600 3.452 3.285 3.535 . 0 0 "[ . 1 . 2]" 1 990 1 36 ASP HA 1 68 THR H . . 5.320 5.001 4.957 5.022 . 0 0 "[ . 1 . 2]" 1 991 1 36 ASP HA 1 68 THR HA . . 3.480 2.467 2.437 2.488 . 0 0 "[ . 1 . 2]" 1 992 1 36 ASP HA 1 68 THR HB . . 4.090 3.375 3.298 3.458 . 0 0 "[ . 1 . 2]" 1 993 1 36 ASP HA 1 68 THR MG . . 3.390 1.987 1.974 2.049 . 0 0 "[ . 1 . 2]" 1 994 1 36 ASP HA 1 69 HIS H . . 4.050 4.037 3.972 4.055 0.005 10 0 "[ . 1 . 2]" 1 995 1 36 ASP HA 1 69 HIS HD2 . . 5.290 4.107 4.012 4.298 . 0 0 "[ . 1 . 2]" 1 996 1 36 ASP HB2 1 37 SER H . . 4.550 4.498 4.432 4.554 0.004 17 0 "[ . 1 . 2]" 1 997 1 36 ASP HB2 1 38 SER H . . 5.070 4.928 4.786 4.979 . 0 0 "[ . 1 . 2]" 1 998 1 36 ASP HB2 1 68 THR HA . . 5.140 4.666 4.577 4.766 . 0 0 "[ . 1 . 2]" 1 999 1 36 ASP HB2 1 68 THR MG . . 3.800 2.768 2.639 2.919 . 0 0 "[ . 1 . 2]" 1 1000 1 36 ASP HB3 1 38 SER H . . 5.030 4.467 4.345 4.661 . 0 0 "[ . 1 . 2]" 1 1001 1 36 ASP HB3 1 68 THR HA . . 5.500 5.480 5.446 5.502 0.002 6 0 "[ . 1 . 2]" 1 1002 1 36 ASP HB3 1 68 THR MG . . 4.290 3.976 3.860 4.059 . 0 0 "[ . 1 . 2]" 1 1003 1 37 SER H 1 37 SER HB2 . . 3.980 3.780 3.714 3.848 . 0 0 "[ . 1 . 2]" 1 1004 1 37 SER H 1 37 SER HB3 . . 3.900 2.966 2.770 3.095 . 0 0 "[ . 1 . 2]" 1 1005 1 37 SER H 1 38 SER H . . 3.000 2.478 2.312 2.665 . 0 0 "[ . 1 . 2]" 1 1006 1 37 SER H 1 39 LYS H . . 5.050 4.805 4.655 5.027 . 0 0 "[ . 1 . 2]" 1 1007 1 37 SER H 1 67 GLY QA . . 4.980 4.483 4.353 4.678 . 0 0 "[ . 1 . 2]" 1 1008 1 37 SER H 1 68 THR HA . . 3.530 2.730 2.572 2.863 . 0 0 "[ . 1 . 2]" 1 1009 1 37 SER H 1 68 THR HB . . 5.010 4.750 4.601 4.900 . 0 0 "[ . 1 . 2]" 1 1010 1 37 SER H 1 68 THR MG . . 3.900 3.504 3.443 3.627 . 0 0 "[ . 1 . 2]" 1 1011 1 37 SER H 1 69 HIS H . . 4.820 4.623 4.446 4.807 . 0 0 "[ . 1 . 2]" 1 1012 1 37 SER H 1 69 HIS HD2 . . 4.250 3.180 2.941 3.372 . 0 0 "[ . 1 . 2]" 1 1013 1 37 SER HA 1 38 SER HA . . 4.950 4.718 4.677 4.775 . 0 0 "[ . 1 . 2]" 1 1014 1 37 SER HA 1 39 LYS H . . 3.970 3.645 3.492 3.762 . 0 0 "[ . 1 . 2]" 1 1015 1 37 SER HA 1 40 ALA H . . 3.420 3.150 3.047 3.219 . 0 0 "[ . 1 . 2]" 1 1016 1 37 SER HA 1 40 ALA MB . . 3.600 2.682 2.426 2.875 . 0 0 "[ . 1 . 2]" 1 1017 1 37 SER HB2 1 38 SER H . . 5.300 4.502 4.453 4.576 . 0 0 "[ . 1 . 2]" 1 1018 1 37 SER HB2 1 39 LYS H . . 5.500 5.389 5.215 5.498 . 0 0 "[ . 1 . 2]" 1 1019 1 37 SER HB2 1 40 ALA H . . 4.450 4.060 3.947 4.211 . 0 0 "[ . 1 . 2]" 1 1020 1 37 SER HB2 1 40 ALA MB . . 3.810 2.420 2.210 2.608 . 0 0 "[ . 1 . 2]" 1 1021 1 37 SER HB2 1 41 GLY H . . 5.500 4.409 4.256 4.564 . 0 0 "[ . 1 . 2]" 1 1022 1 37 SER HB2 1 87 TYR QE . . 4.350 2.680 2.370 3.030 . 0 0 "[ . 1 . 2]" 1 1023 1 37 SER HB3 1 40 ALA MB . . 3.810 3.707 3.531 3.802 . 0 0 "[ . 1 . 2]" 1 1024 1 37 SER HB3 1 69 HIS HD2 . . 5.270 3.842 3.478 4.367 . 0 0 "[ . 1 . 2]" 1 1025 1 37 SER HB3 1 87 TYR QE . . 4.280 3.045 2.825 3.497 . 0 0 "[ . 1 . 2]" 1 1026 1 38 SER H 1 38 SER QB . . 3.360 2.349 2.161 2.580 . 0 0 "[ . 1 . 2]" 1 1027 1 38 SER H 1 39 LYS H . . 3.550 2.535 2.449 2.679 . 0 0 "[ . 1 . 2]" 1 1028 1 38 SER H 1 39 LYS QG . . 5.030 4.307 4.028 4.455 . 0 0 "[ . 1 . 2]" 1 1029 1 38 SER H 1 40 ALA H . . 4.500 3.782 3.727 3.837 . 0 0 "[ . 1 . 2]" 1 1030 1 38 SER H 1 67 GLY QA . . 4.620 4.170 3.974 4.427 . 0 0 "[ . 1 . 2]" 1 1031 1 38 SER H 1 68 THR HA . . 4.680 4.572 4.429 4.682 0.002 10 0 "[ . 1 . 2]" 1 1032 1 38 SER H 1 68 THR MG . . 4.350 4.196 4.092 4.280 . 0 0 "[ . 1 . 2]" 1 1033 1 38 SER HA 1 38 SER QB . . 2.640 2.311 2.183 2.493 . 0 0 "[ . 1 . 2]" 1 1034 1 38 SER HA 1 40 ALA H . . 4.160 3.942 3.817 4.117 . 0 0 "[ . 1 . 2]" 1 1035 1 38 SER HA 1 41 GLY H . . 5.430 3.695 3.580 3.818 . 0 0 "[ . 1 . 2]" 1 1036 1 38 SER HA 1 67 GLY QA . . 4.080 3.673 3.479 4.013 . 0 0 "[ . 1 . 2]" 1 1037 1 38 SER QB 1 39 LYS H . . 3.840 2.988 2.565 3.537 . 0 0 "[ . 1 . 2]" 1 1038 1 38 SER QB 1 39 LYS QG . . 4.760 3.498 2.901 4.177 . 0 0 "[ . 1 . 2]" 1 1039 1 38 SER QB 1 67 GLY QA . . 4.270 2.368 2.110 3.474 . 0 0 "[ . 1 . 2]" 1 1040 1 38 SER HB2 1 39 LYS H . . 4.560 3.819 2.927 4.045 . 0 0 "[ . 1 . 2]" 1 1041 1 38 SER HB3 1 39 LYS H . . 4.560 3.237 2.605 3.983 . 0 0 "[ . 1 . 2]" 1 1042 1 39 LYS H 1 39 LYS HB2 . . 3.240 2.414 2.335 2.556 . 0 0 "[ . 1 . 2]" 1 1043 1 39 LYS H 1 39 LYS HB3 . . 3.740 3.600 3.579 3.632 . 0 0 "[ . 1 . 2]" 1 1044 1 39 LYS H 1 39 LYS QD . . 4.520 4.194 3.882 4.506 . 0 0 "[ . 1 . 2]" 1 1045 1 39 LYS H 1 39 LYS QE . . 5.340 4.686 3.529 5.212 . 0 0 "[ . 1 . 2]" 1 1046 1 39 LYS H 1 39 LYS HG2 . . 3.640 2.827 2.170 3.430 . 0 0 "[ . 1 . 2]" 1 1047 1 39 LYS H 1 39 LYS QG . . 3.190 2.492 2.140 2.662 . 0 0 "[ . 1 . 2]" 1 1048 1 39 LYS H 1 39 LYS HG3 . . 3.640 3.178 2.513 3.614 . 0 0 "[ . 1 . 2]" 1 1049 1 39 LYS H 1 40 ALA H . . 2.920 2.419 2.340 2.486 . 0 0 "[ . 1 . 2]" 1 1050 1 39 LYS H 1 40 ALA HA . . 5.200 4.994 4.878 5.084 . 0 0 "[ . 1 . 2]" 1 1051 1 39 LYS H 1 40 ALA MB . . 4.380 4.039 3.809 4.154 . 0 0 "[ . 1 . 2]" 1 1052 1 39 LYS H 1 41 GLY H . . 4.320 4.268 4.177 4.325 0.005 18 0 "[ . 1 . 2]" 1 1053 1 39 LYS HA 1 39 LYS QD . . 3.720 2.992 2.165 3.726 0.006 20 0 "[ . 1 . 2]" 1 1054 1 39 LYS HA 1 39 LYS HG2 . . 3.920 2.591 2.304 2.866 . 0 0 "[ . 1 . 2]" 1 1055 1 39 LYS HA 1 39 LYS HG3 . . 3.920 3.600 3.307 3.836 . 0 0 "[ . 1 . 2]" 1 1056 1 39 LYS HA 1 41 GLY H . . 4.440 4.261 4.080 4.403 . 0 0 "[ . 1 . 2]" 1 1057 1 39 LYS HB2 1 40 ALA H . . 4.240 3.215 2.990 3.439 . 0 0 "[ . 1 . 2]" 1 1058 1 39 LYS HB2 1 40 ALA HA . . 4.530 4.471 4.255 4.546 0.016 20 0 "[ . 1 . 2]" 1 1059 1 39 LYS HB3 1 39 LYS QD . . 3.640 2.189 2.058 2.510 . 0 0 "[ . 1 . 2]" 1 1060 1 39 LYS HB3 1 40 ALA H . . 4.250 4.047 3.885 4.210 . 0 0 "[ . 1 . 2]" 1 1061 1 39 LYS HB3 1 40 ALA HA . . 5.120 4.557 4.441 4.661 . 0 0 "[ . 1 . 2]" 1 1062 1 39 LYS QD 1 39 LYS HG2 . . 2.790 2.310 2.154 2.482 . 0 0 "[ . 1 . 2]" 1 1063 1 39 LYS QD 1 39 LYS HG3 . . 2.790 2.359 2.153 2.477 . 0 0 "[ . 1 . 2]" 1 1064 1 39 LYS QE 1 39 LYS QG . . 3.150 2.201 2.080 2.297 . 0 0 "[ . 1 . 2]" 1 1065 1 40 ALA H 1 40 ALA MB . . 2.840 2.176 2.079 2.267 . 0 0 "[ . 1 . 2]" 1 1066 1 40 ALA H 1 41 GLY HA2 . . 5.110 4.799 4.648 4.908 . 0 0 "[ . 1 . 2]" 1 1067 1 40 ALA H 1 87 TYR QE . . 4.890 4.848 4.686 4.894 0.004 20 0 "[ . 1 . 2]" 1 1068 1 40 ALA HA 1 41 GLY HA2 . . 5.200 4.968 4.951 4.999 . 0 0 "[ . 1 . 2]" 1 1069 1 40 ALA HA 1 87 TYR QE . . 4.580 4.292 3.881 4.523 . 0 0 "[ . 1 . 2]" 1 1070 1 40 ALA MB 1 41 GLY H . . 3.590 2.687 2.591 2.799 . 0 0 "[ . 1 . 2]" 1 1071 1 40 ALA MB 1 87 TYR QD . . 4.510 2.894 2.699 3.079 . 0 0 "[ . 1 . 2]" 1 1072 1 40 ALA MB 1 87 TYR QE . . 3.350 2.011 1.955 2.090 . 0 0 "[ . 1 . 2]" 1 1073 1 41 GLY H 1 41 GLY HA2 . . 2.830 2.562 2.516 2.588 . 0 0 "[ . 1 . 2]" 1 1074 1 41 GLY H 1 42 LEU H . . 4.520 4.383 4.333 4.461 . 0 0 "[ . 1 . 2]" 1 1075 1 41 GLY H 1 42 LEU MD1 . . 5.500 4.851 4.179 5.144 . 0 0 "[ . 1 . 2]" 1 1076 1 41 GLY H 1 87 TYR QE . . 4.800 3.970 3.854 4.118 . 0 0 "[ . 1 . 2]" 1 1077 1 41 GLY HA2 1 42 LEU H . . 3.010 3.049 2.963 3.106 0.096 11 0 "[ . 1 . 2]" 1 1078 1 41 GLY HA2 1 42 LEU QB . . 4.980 4.611 4.443 5.017 0.037 15 0 "[ . 1 . 2]" 1 1079 1 41 GLY HA2 1 42 LEU MD1 . . 4.300 3.048 2.702 3.287 . 0 0 "[ . 1 . 2]" 1 1080 1 41 GLY HA2 1 43 ALA H . . 5.210 4.515 4.399 4.606 . 0 0 "[ . 1 . 2]" 1 1081 1 41 GLY HA3 1 42 LEU H . . 2.900 2.192 2.167 2.237 . 0 0 "[ . 1 . 2]" 1 1082 1 41 GLY HA3 1 42 LEU QB . . 4.920 4.682 4.591 4.824 . 0 0 "[ . 1 . 2]" 1 1083 1 41 GLY HA3 1 42 LEU MD1 . . 3.940 3.082 2.766 3.548 . 0 0 "[ . 1 . 2]" 1 1084 1 41 GLY HA3 1 42 LEU MD2 . . 3.830 3.502 3.004 3.696 . 0 0 "[ . 1 . 2]" 1 1085 1 41 GLY HA3 1 87 TYR QE . . 4.790 3.889 3.782 4.035 . 0 0 "[ . 1 . 2]" 1 1086 1 42 LEU H 1 42 LEU QB . . 3.030 2.987 2.826 3.100 0.070 7 0 "[ . 1 . 2]" 1 1087 1 42 LEU H 1 42 LEU MD1 . . 3.480 1.968 1.839 2.628 . 0 0 "[ . 1 . 2]" 1 1088 1 42 LEU H 1 42 LEU MD2 . . 4.640 1.841 1.782 1.884 . 0 0 "[ . 1 . 2]" 1 1089 1 42 LEU H 1 42 LEU HG . . 4.050 3.778 3.578 3.851 . 0 0 "[ . 1 . 2]" 1 1090 1 42 LEU H 1 43 ALA H . . 4.190 2.368 2.299 2.484 . 0 0 "[ . 1 . 2]" 1 1091 1 42 LEU H 1 43 ALA MB . . 5.210 3.755 3.604 3.915 . 0 0 "[ . 1 . 2]" 1 1092 1 42 LEU H 1 87 TYR QE . . 5.000 4.494 4.379 4.722 . 0 0 "[ . 1 . 2]" 1 1093 1 42 LEU HA 1 42 LEU MD1 . . 3.750 3.243 2.158 3.574 . 0 0 "[ . 1 . 2]" 1 1094 1 42 LEU HA 1 42 LEU MD2 . . 3.680 3.365 3.295 3.547 . 0 0 "[ . 1 . 2]" 1 1095 1 42 LEU HA 1 43 ALA H . . 3.090 3.057 3.014 3.103 0.013 8 0 "[ . 1 . 2]" 1 1096 1 42 LEU HA 1 87 TYR QE . . 5.490 5.095 4.971 5.245 . 0 0 "[ . 1 . 2]" 1 1097 1 42 LEU QB 1 42 LEU MD1 . . 3.190 2.207 2.059 2.442 . 0 0 "[ . 1 . 2]" 1 1098 1 42 LEU QB 1 42 LEU MD2 . . 3.040 2.384 2.098 2.481 . 0 0 "[ . 1 . 2]" 1 1099 1 42 LEU QB 1 43 ALA H . . 4.010 3.918 3.675 3.987 . 0 0 "[ . 1 . 2]" 1 1100 1 42 LEU MD1 1 43 ALA H . . 4.020 3.948 3.881 4.090 0.070 13 0 "[ . 1 . 2]" 1 1101 1 42 LEU MD2 1 43 ALA H . . 3.700 2.795 2.484 3.694 . 0 0 "[ . 1 . 2]" 1 1102 1 42 LEU MD2 1 43 ALA HA . . 4.710 3.154 2.710 4.779 0.069 13 0 "[ . 1 . 2]" 1 1103 1 43 ALA H 1 43 ALA HA . . 2.910 2.870 2.864 2.879 . 0 0 "[ . 1 . 2]" 1 1104 1 43 ALA H 1 43 ALA MB . . 3.270 2.095 2.065 2.171 . 0 0 "[ . 1 . 2]" 1 1105 1 43 ALA H 1 44 PRO HD2 . . 4.910 4.792 4.788 4.802 . 0 0 "[ . 1 . 2]" 1 1106 1 43 ALA H 1 44 PRO HD3 . . 5.130 5.038 5.016 5.043 . 0 0 "[ . 1 . 2]" 1 1107 1 43 ALA H 1 87 TYR QE . . 3.520 2.872 2.708 3.082 . 0 0 "[ . 1 . 2]" 1 1108 1 43 ALA HA 1 44 PRO HD2 . . 3.260 2.362 2.319 2.370 . 0 0 "[ . 1 . 2]" 1 1109 1 43 ALA HA 1 44 PRO HD3 . . 2.880 2.286 2.273 2.288 . 0 0 "[ . 1 . 2]" 1 1110 1 43 ALA HA 1 44 PRO HG2 . . 4.690 4.481 4.447 4.489 . 0 0 "[ . 1 . 2]" 1 1111 1 43 ALA HA 1 44 PRO QG . . 4.070 3.978 3.952 3.984 . 0 0 "[ . 1 . 2]" 1 1112 1 43 ALA HA 1 44 PRO HG3 . . 4.690 4.449 4.425 4.456 . 0 0 "[ . 1 . 2]" 1 1113 1 43 ALA HA 1 88 ALA H . . 5.440 5.236 5.030 5.373 . 0 0 "[ . 1 . 2]" 1 1114 1 43 ALA HA 1 88 ALA HA . . 4.920 4.784 4.584 4.920 0.000 11 0 "[ . 1 . 2]" 1 1115 1 43 ALA HA 1 88 ALA MB . . 4.450 3.778 3.634 3.849 . 0 0 "[ . 1 . 2]" 1 1116 1 43 ALA MB 1 44 PRO HD2 . . 3.030 2.264 2.087 2.337 . 0 0 "[ . 1 . 2]" 1 1117 1 43 ALA MB 1 44 PRO HD3 . . 3.460 3.348 3.268 3.408 . 0 0 "[ . 1 . 2]" 1 1118 1 43 ALA MB 1 44 PRO QG . . 5.350 3.611 3.564 3.658 . 0 0 "[ . 1 . 2]" 1 1119 1 43 ALA MB 1 87 TYR QD . . 4.540 2.820 2.710 2.980 . 0 0 "[ . 1 . 2]" 1 1120 1 43 ALA MB 1 87 TYR QE . . 3.450 2.140 1.976 2.544 . 0 0 "[ . 1 . 2]" 1 1121 1 43 ALA MB 1 88 ALA H . . 3.230 3.093 2.844 3.229 . 0 0 "[ . 1 . 2]" 1 1122 1 43 ALA MB 1 88 ALA HA . . 3.290 3.140 2.834 3.284 . 0 0 "[ . 1 . 2]" 1 1123 1 43 ALA MB 1 88 ALA MB . . 2.680 1.799 1.728 1.839 . 0 0 "[ . 1 . 2]" 1 1124 1 43 ALA MB 1 89 ASP H . . 5.500 5.055 4.876 5.171 . 0 0 "[ . 1 . 2]" 1 1125 1 44 PRO HA 1 45 LEU H . . 2.560 2.391 2.377 2.411 . 0 0 "[ . 1 . 2]" 1 1126 1 44 PRO HA 1 45 LEU HA . . 4.620 4.444 4.432 4.463 . 0 0 "[ . 1 . 2]" 1 1127 1 44 PRO HA 1 45 LEU HB2 . . 4.700 4.462 4.390 4.551 . 0 0 "[ . 1 . 2]" 1 1128 1 44 PRO HA 1 45 LEU QB . . 4.070 3.952 3.936 3.963 . 0 0 "[ . 1 . 2]" 1 1129 1 44 PRO HA 1 45 LEU HB3 . . 4.700 4.413 4.332 4.488 . 0 0 "[ . 1 . 2]" 1 1130 1 44 PRO HA 1 87 TYR QE . . 5.230 4.299 4.038 4.529 . 0 0 "[ . 1 . 2]" 1 1131 1 44 PRO HB2 1 45 LEU H . . 3.070 2.639 2.588 2.675 . 0 0 "[ . 1 . 2]" 1 1132 1 44 PRO HB2 1 88 ALA H . . 4.520 4.456 4.420 4.521 0.001 4 0 "[ . 1 . 2]" 1 1133 1 44 PRO HB3 1 45 LEU H . . 3.570 3.467 3.441 3.487 . 0 0 "[ . 1 . 2]" 1 1134 1 44 PRO HB3 1 88 ALA H . . 5.500 5.502 5.474 5.514 0.014 10 0 "[ . 1 . 2]" 1 1135 1 44 PRO HD2 1 88 ALA H . . 3.930 3.354 3.235 3.439 . 0 0 "[ . 1 . 2]" 1 1136 1 44 PRO HD2 1 88 ALA HA . . 3.500 2.779 2.637 2.859 . 0 0 "[ . 1 . 2]" 1 1137 1 44 PRO HD2 1 88 ALA MB . . 4.090 3.035 2.923 3.122 . 0 0 "[ . 1 . 2]" 1 1138 1 44 PRO HD3 1 88 ALA H . . 5.000 4.932 4.838 5.001 0.001 13 0 "[ . 1 . 2]" 1 1139 1 44 PRO HD3 1 88 ALA MB . . 4.730 4.427 4.308 4.517 . 0 0 "[ . 1 . 2]" 1 1140 1 44 PRO QG 1 45 LEU H . . 4.310 4.183 4.149 4.208 . 0 0 "[ . 1 . 2]" 1 1141 1 44 PRO QG 1 88 ALA H . . 4.270 2.832 2.770 2.903 . 0 0 "[ . 1 . 2]" 1 1142 1 44 PRO QG 1 88 ALA HA . . 4.040 2.978 2.835 3.066 . 0 0 "[ . 1 . 2]" 1 1143 1 44 PRO HG2 1 45 LEU H . . 5.110 4.442 4.403 4.468 . 0 0 "[ . 1 . 2]" 1 1144 1 44 PRO HG2 1 88 ALA H . . 4.910 2.860 2.796 2.934 . 0 0 "[ . 1 . 2]" 1 1145 1 44 PRO HG2 1 88 ALA HA . . 4.890 3.052 2.897 3.144 . 0 0 "[ . 1 . 2]" 1 1146 1 44 PRO HG3 1 45 LEU H . . 5.110 5.107 5.071 5.135 0.025 11 0 "[ . 1 . 2]" 1 1147 1 44 PRO HG3 1 88 ALA H . . 4.910 4.562 4.504 4.622 . 0 0 "[ . 1 . 2]" 1 1148 1 44 PRO HG3 1 88 ALA HA . . 4.890 4.150 4.024 4.247 . 0 0 "[ . 1 . 2]" 1 1149 1 45 LEU H 1 45 LEU HB2 . . 3.370 3.218 3.140 3.283 . 0 0 "[ . 1 . 2]" 1 1150 1 45 LEU H 1 45 LEU HB3 . . 3.370 2.570 2.523 2.646 . 0 0 "[ . 1 . 2]" 1 1151 1 45 LEU H 1 45 LEU MD1 . . 4.600 4.531 4.463 4.579 . 0 0 "[ . 1 . 2]" 1 1152 1 45 LEU H 1 45 LEU MD2 . . 4.440 4.278 4.158 4.409 . 0 0 "[ . 1 . 2]" 1 1153 1 45 LEU H 1 45 LEU HG . . 4.420 4.359 4.282 4.416 . 0 0 "[ . 1 . 2]" 1 1154 1 45 LEU H 1 46 GLU H . . 4.580 4.376 4.310 4.448 . 0 0 "[ . 1 . 2]" 1 1155 1 45 LEU H 1 87 TYR QD . . 4.830 4.594 4.378 4.755 . 0 0 "[ . 1 . 2]" 1 1156 1 45 LEU H 1 87 TYR QE . . 5.120 4.361 4.147 4.596 . 0 0 "[ . 1 . 2]" 1 1157 1 45 LEU HA 1 45 LEU MD1 . . 3.100 2.546 2.291 2.733 . 0 0 "[ . 1 . 2]" 1 1158 1 45 LEU HA 1 45 LEU MD2 . . 4.270 3.977 3.956 3.999 . 0 0 "[ . 1 . 2]" 1 1159 1 45 LEU HA 1 45 LEU HG . . 3.920 2.983 2.906 3.076 . 0 0 "[ . 1 . 2]" 1 1160 1 45 LEU HA 1 46 GLU H . . 2.690 2.183 2.151 2.234 . 0 0 "[ . 1 . 2]" 1 1161 1 45 LEU HA 1 46 GLU HA . . 4.840 4.395 4.386 4.420 . 0 0 "[ . 1 . 2]" 1 1162 1 45 LEU HA 1 87 TYR QD . . 3.870 2.355 2.172 2.488 . 0 0 "[ . 1 . 2]" 1 1163 1 45 LEU HA 1 87 TYR QE . . 3.840 3.704 3.474 3.843 0.003 3 0 "[ . 1 . 2]" 1 1164 1 45 LEU HA 1 88 ALA H . . 4.710 4.106 4.016 4.214 . 0 0 "[ . 1 . 2]" 1 1165 1 45 LEU QB 1 46 GLU H . . 4.250 3.657 3.550 3.740 . 0 0 "[ . 1 . 2]" 1 1166 1 45 LEU QB 1 87 TYR QD . . 3.800 2.485 2.201 2.783 . 0 0 "[ . 1 . 2]" 1 1167 1 45 LEU HB2 1 45 LEU MD1 . . 3.330 2.124 1.991 2.255 . 0 0 "[ . 1 . 2]" 1 1168 1 45 LEU HB2 1 45 LEU MD2 . . 3.310 2.629 2.521 2.711 . 0 0 "[ . 1 . 2]" 1 1169 1 45 LEU HB2 1 87 TYR QD . . 4.620 2.506 2.214 2.814 . 0 0 "[ . 1 . 2]" 1 1170 1 45 LEU HB2 1 87 TYR QE . . 4.270 2.342 2.134 2.687 . 0 0 "[ . 1 . 2]" 1 1171 1 45 LEU HB3 1 45 LEU MD1 . . 3.330 3.127 3.102 3.168 . 0 0 "[ . 1 . 2]" 1 1172 1 45 LEU HB3 1 45 LEU MD2 . . 3.310 2.098 1.965 2.244 . 0 0 "[ . 1 . 2]" 1 1173 1 45 LEU HB3 1 87 TYR QD . . 4.620 4.105 3.862 4.393 . 0 0 "[ . 1 . 2]" 1 1174 1 45 LEU HB3 1 87 TYR QE . . 4.270 3.841 3.598 4.242 . 0 0 "[ . 1 . 2]" 1 1175 1 45 LEU MD1 1 46 GLU H . . 3.290 2.829 2.617 3.019 . 0 0 "[ . 1 . 2]" 1 1176 1 45 LEU MD1 1 86 LYS H . . 4.180 3.563 3.202 3.835 . 0 0 "[ . 1 . 2]" 1 1177 1 45 LEU MD1 1 87 TYR HA . . 4.050 3.772 3.448 4.010 . 0 0 "[ . 1 . 2]" 1 1178 1 45 LEU MD1 1 87 TYR QD . . 3.190 2.067 1.898 2.289 . 0 0 "[ . 1 . 2]" 1 1179 1 45 LEU MD2 1 46 GLU H . . 4.480 4.255 4.016 4.475 . 0 0 "[ . 1 . 2]" 1 1180 1 45 LEU MD2 1 69 HIS H . . 4.940 4.682 4.544 4.903 . 0 0 "[ . 1 . 2]" 1 1181 1 45 LEU MD2 1 69 HIS HB2 . . 3.690 2.556 2.235 2.851 . 0 0 "[ . 1 . 2]" 1 1182 1 45 LEU MD2 1 69 HIS HB3 . . 3.800 3.284 2.858 3.739 . 0 0 "[ . 1 . 2]" 1 1183 1 45 LEU MD2 1 69 HIS HD2 . . 4.250 4.022 3.670 4.193 . 0 0 "[ . 1 . 2]" 1 1184 1 45 LEU MD2 1 69 HIS HE1 . . 5.480 5.168 4.810 5.424 . 0 0 "[ . 1 . 2]" 1 1185 1 45 LEU MD2 1 87 TYR QE . . 5.110 4.220 3.871 4.606 . 0 0 "[ . 1 . 2]" 1 1186 1 45 LEU HG 1 46 GLU H . . 3.560 2.651 2.346 2.938 . 0 0 "[ . 1 . 2]" 1 1187 1 45 LEU HG 1 87 TYR HA . . 5.500 5.379 5.193 5.495 . 0 0 "[ . 1 . 2]" 1 1188 1 45 LEU HG 1 87 TYR QD . . 4.470 4.164 3.909 4.373 . 0 0 "[ . 1 . 2]" 1 1189 1 45 LEU HG 1 87 TYR QE . . 5.500 5.184 5.002 5.435 . 0 0 "[ . 1 . 2]" 1 1190 1 46 GLU H 1 46 GLU HB2 . . 3.630 2.682 2.332 2.907 . 0 0 "[ . 1 . 2]" 1 1191 1 46 GLU H 1 46 GLU HB3 . . 3.630 3.037 2.708 3.634 0.004 2 0 "[ . 1 . 2]" 1 1192 1 46 GLU H 1 46 GLU QG . . 4.710 3.961 3.257 4.255 . 0 0 "[ . 1 . 2]" 1 1193 1 46 GLU H 1 47 VAL H . . 4.580 4.478 4.412 4.530 . 0 0 "[ . 1 . 2]" 1 1194 1 46 GLU H 1 85 VAL MG1 . . 3.670 3.192 2.973 3.429 . 0 0 "[ . 1 . 2]" 1 1195 1 46 GLU H 1 86 LYS H . . 3.630 2.761 2.649 2.897 . 0 0 "[ . 1 . 2]" 1 1196 1 46 GLU H 1 86 LYS HB3 . . 4.120 3.527 3.331 3.706 . 0 0 "[ . 1 . 2]" 1 1197 1 46 GLU H 1 87 TYR HA . . 4.120 3.641 3.487 3.787 . 0 0 "[ . 1 . 2]" 1 1198 1 46 GLU H 1 87 TYR QD . . 4.070 3.923 3.702 4.070 0.000 6 0 "[ . 1 . 2]" 1 1199 1 46 GLU H 1 88 ALA H . . 5.130 5.023 4.830 5.134 0.004 18 0 "[ . 1 . 2]" 1 1200 1 46 GLU HA 1 46 GLU QG . . 3.770 2.338 2.146 2.713 . 0 0 "[ . 1 . 2]" 1 1201 1 46 GLU HA 1 47 VAL H . . 2.690 2.252 2.201 2.319 . 0 0 "[ . 1 . 2]" 1 1202 1 46 GLU HA 1 47 VAL HB . . 5.010 4.561 4.472 4.649 . 0 0 "[ . 1 . 2]" 1 1203 1 46 GLU HA 1 47 VAL MG2 . . 4.050 3.469 3.280 3.720 . 0 0 "[ . 1 . 2]" 1 1204 1 46 GLU HA 1 86 LYS HB3 . . 5.500 5.076 4.708 5.237 . 0 0 "[ . 1 . 2]" 1 1205 1 46 GLU QB 1 47 VAL H . . 3.560 3.286 2.694 3.532 . 0 0 "[ . 1 . 2]" 1 1206 1 46 GLU QB 1 86 LYS H . . 3.870 2.643 2.212 2.930 . 0 0 "[ . 1 . 2]" 1 1207 1 46 GLU QB 1 86 LYS HB2 . . 3.640 2.834 2.445 3.020 . 0 0 "[ . 1 . 2]" 1 1208 1 46 GLU QB 1 86 LYS HB3 . . 3.350 2.284 2.023 2.520 . 0 0 "[ . 1 . 2]" 1 1209 1 46 GLU QB 1 86 LYS HD2 . . 4.730 4.249 4.031 4.401 . 0 0 "[ . 1 . 2]" 1 1210 1 46 GLU QB 1 86 LYS HD3 . . 4.530 4.088 3.853 4.298 . 0 0 "[ . 1 . 2]" 1 1211 1 46 GLU HB2 1 47 VAL H . . 4.260 4.157 4.039 4.268 0.008 4 0 "[ . 1 . 2]" 1 1212 1 46 GLU HB2 1 86 LYS H . . 4.690 3.681 2.609 4.163 . 0 0 "[ . 1 . 2]" 1 1213 1 46 GLU HB2 1 86 LYS HB2 . . 4.270 3.848 2.915 4.282 0.012 16 0 "[ . 1 . 2]" 1 1214 1 46 GLU HB2 1 86 LYS HB3 . . 4.080 2.767 2.037 3.164 . 0 0 "[ . 1 . 2]" 1 1215 1 46 GLU HB2 1 86 LYS HD2 . . 5.500 5.120 4.483 5.483 . 0 0 "[ . 1 . 2]" 1 1216 1 46 GLU HB2 1 86 LYS HD3 . . 5.220 4.611 4.200 4.885 . 0 0 "[ . 1 . 2]" 1 1217 1 46 GLU HB3 1 47 VAL H . . 4.260 3.466 2.736 3.768 . 0 0 "[ . 1 . 2]" 1 1218 1 46 GLU HB3 1 86 LYS H . . 4.690 2.879 2.236 3.693 . 0 0 "[ . 1 . 2]" 1 1219 1 46 GLU HB3 1 86 LYS HB2 . . 4.270 3.075 2.492 3.805 . 0 0 "[ . 1 . 2]" 1 1220 1 46 GLU HB3 1 86 LYS HB3 . . 4.080 2.718 2.235 3.583 . 0 0 "[ . 1 . 2]" 1 1221 1 46 GLU HB3 1 86 LYS HD2 . . 5.500 4.623 4.288 5.181 . 0 0 "[ . 1 . 2]" 1 1222 1 46 GLU HB3 1 86 LYS HD3 . . 5.220 4.655 4.303 5.175 . 0 0 "[ . 1 . 2]" 1 1223 1 46 GLU QG 1 47 VAL H . . 3.880 2.690 2.084 3.908 0.028 20 0 "[ . 1 . 2]" 1 1224 1 47 VAL H 1 47 VAL HB . . 3.080 2.812 2.733 2.878 . 0 0 "[ . 1 . 2]" 1 1225 1 47 VAL H 1 47 VAL MG1 . . 4.130 3.914 3.868 3.948 . 0 0 "[ . 1 . 2]" 1 1226 1 47 VAL H 1 47 VAL MG2 . . 3.190 2.925 2.731 3.103 . 0 0 "[ . 1 . 2]" 1 1227 1 47 VAL HA 1 47 VAL MG1 . . 3.160 2.365 2.236 2.477 . 0 0 "[ . 1 . 2]" 1 1228 1 47 VAL HA 1 47 VAL MG2 . . 3.210 2.379 2.262 2.508 . 0 0 "[ . 1 . 2]" 1 1229 1 47 VAL HA 1 48 ARG H . . 2.680 2.231 2.144 2.308 . 0 0 "[ . 1 . 2]" 1 1230 1 47 VAL HA 1 48 ARG QB . . 4.550 4.037 3.921 4.172 . 0 0 "[ . 1 . 2]" 1 1231 1 47 VAL HA 1 85 VAL H . . 5.390 4.892 4.667 5.116 . 0 0 "[ . 1 . 2]" 1 1232 1 47 VAL HA 1 85 VAL HA . . 3.610 2.475 2.238 2.667 . 0 0 "[ . 1 . 2]" 1 1233 1 47 VAL HA 1 85 VAL MG1 . . 4.390 3.626 3.416 3.766 . 0 0 "[ . 1 . 2]" 1 1234 1 47 VAL HA 1 85 VAL MG2 . . 3.960 2.671 2.363 3.041 . 0 0 "[ . 1 . 2]" 1 1235 1 47 VAL HB 1 48 ARG H . . 4.190 3.921 3.689 4.253 0.063 16 0 "[ . 1 . 2]" 1 1236 1 47 VAL HB 1 48 ARG HA . . 5.430 4.583 4.434 4.873 . 0 0 "[ . 1 . 2]" 1 1237 1 47 VAL HB 1 71 VAL MG1 . . 4.210 3.339 3.033 3.635 . 0 0 "[ . 1 . 2]" 1 1238 1 47 VAL MG1 1 48 ARG H . . 3.090 2.170 1.901 2.705 . 0 0 "[ . 1 . 2]" 1 1239 1 47 VAL MG1 1 48 ARG QG . . 5.070 4.622 4.315 5.103 0.033 16 0 "[ . 1 . 2]" 1 1240 1 47 VAL MG1 1 49 VAL H . . 4.590 4.312 4.115 4.488 . 0 0 "[ . 1 . 2]" 1 1241 1 47 VAL MG1 1 59 VAL HB . . 3.480 2.987 2.409 3.493 0.013 16 0 "[ . 1 . 2]" 1 1242 1 47 VAL MG1 1 71 VAL HB . . 4.740 4.316 4.133 4.560 . 0 0 "[ . 1 . 2]" 1 1243 1 47 VAL MG1 1 71 VAL MG1 . . 2.980 2.372 2.144 2.674 . 0 0 "[ . 1 . 2]" 1 1244 1 47 VAL MG2 1 48 ARG H . . 4.110 3.937 3.859 4.097 . 0 0 "[ . 1 . 2]" 1 1245 1 47 VAL MG2 1 71 VAL HB . . 5.020 4.152 3.867 4.353 . 0 0 "[ . 1 . 2]" 1 1246 1 47 VAL MG2 1 71 VAL MG1 . . 3.360 2.638 2.289 2.874 . 0 0 "[ . 1 . 2]" 1 1247 1 47 VAL MG2 1 85 VAL HA . . 4.290 3.437 2.835 3.847 . 0 0 "[ . 1 . 2]" 1 1248 1 48 ARG H 1 48 ARG HB2 . . 4.010 2.968 2.627 3.563 . 0 0 "[ . 1 . 2]" 1 1249 1 48 ARG H 1 48 ARG QB . . 3.230 2.675 2.457 2.782 . 0 0 "[ . 1 . 2]" 1 1250 1 48 ARG H 1 48 ARG HB3 . . 4.010 3.402 2.727 3.856 . 0 0 "[ . 1 . 2]" 1 1251 1 48 ARG H 1 48 ARG HG2 . . 4.590 4.270 3.586 4.622 0.032 19 0 "[ . 1 . 2]" 1 1252 1 48 ARG H 1 48 ARG HG3 . . 4.590 4.264 3.576 4.744 0.154 16 0 "[ . 1 . 2]" 1 1253 1 48 ARG H 1 49 VAL H . . 4.470 4.294 4.196 4.498 0.028 16 0 "[ . 1 . 2]" 1 1254 1 48 ARG H 1 49 VAL HA . . 5.000 4.701 4.605 4.983 . 0 0 "[ . 1 . 2]" 1 1255 1 48 ARG H 1 49 VAL MG2 . . 4.600 3.940 3.738 4.383 . 0 0 "[ . 1 . 2]" 1 1256 1 48 ARG H 1 83 VAL MG1 . . 4.210 3.084 2.931 3.678 . 0 0 "[ . 1 . 2]" 1 1257 1 48 ARG H 1 84 SER H . . 3.440 3.314 3.170 3.423 . 0 0 "[ . 1 . 2]" 1 1258 1 48 ARG H 1 84 SER HA . . 4.970 4.718 4.469 4.847 . 0 0 "[ . 1 . 2]" 1 1259 1 48 ARG H 1 84 SER QB . . 3.710 3.489 2.853 3.635 . 0 0 "[ . 1 . 2]" 1 1260 1 48 ARG H 1 85 VAL HA . . 3.990 3.763 3.519 3.907 . 0 0 "[ . 1 . 2]" 1 1261 1 48 ARG H 1 85 VAL MG2 . . 3.800 3.392 3.213 3.795 . 0 0 "[ . 1 . 2]" 1 1262 1 48 ARG HA 1 48 ARG HG2 . . 3.860 2.731 2.147 3.614 . 0 0 "[ . 1 . 2]" 1 1263 1 48 ARG HA 1 48 ARG QG . . 3.380 2.366 2.127 2.600 . 0 0 "[ . 1 . 2]" 1 1264 1 48 ARG HA 1 48 ARG HG3 . . 3.860 3.023 2.466 3.677 . 0 0 "[ . 1 . 2]" 1 1265 1 48 ARG HA 1 49 VAL H . . 2.840 2.204 2.163 2.268 . 0 0 "[ . 1 . 2]" 1 1266 1 48 ARG HA 1 49 VAL HB . . 4.620 4.570 4.499 4.627 0.007 14 0 "[ . 1 . 2]" 1 1267 1 48 ARG HA 1 59 VAL QG . . 3.360 2.754 2.297 2.987 . 0 0 "[ . 1 . 2]" 1 1268 1 48 ARG QB 1 48 ARG QD . . 3.030 2.195 2.049 2.536 . 0 0 "[ . 1 . 2]" 1 1269 1 48 ARG QB 1 49 VAL H . . 3.570 3.247 2.848 3.582 0.012 4 0 "[ . 1 . 2]" 1 1270 1 48 ARG QB 1 84 SER H . . 3.910 3.271 3.096 3.365 . 0 0 "[ . 1 . 2]" 1 1271 1 48 ARG QB 1 84 SER QB . . 3.160 2.127 1.972 2.327 . 0 0 "[ . 1 . 2]" 1 1272 1 48 ARG QB 1 85 VAL H . . 5.340 5.248 5.084 5.336 . 0 0 "[ . 1 . 2]" 1 1273 1 48 ARG HB2 1 48 ARG HD2 . . 4.100 3.048 2.406 3.743 . 0 0 "[ . 1 . 2]" 1 1274 1 48 ARG HB2 1 48 ARG HD3 . . 4.100 3.516 2.116 4.198 0.098 16 0 "[ . 1 . 2]" 1 1275 1 48 ARG HB2 1 49 VAL H . . 4.290 4.153 3.860 4.298 0.008 6 0 "[ . 1 . 2]" 1 1276 1 48 ARG HB3 1 48 ARG HD2 . . 4.100 2.681 2.127 3.911 . 0 0 "[ . 1 . 2]" 1 1277 1 48 ARG HB3 1 48 ARG HD3 . . 4.100 3.225 2.181 3.870 . 0 0 "[ . 1 . 2]" 1 1278 1 48 ARG HB3 1 49 VAL H . . 4.290 3.470 2.906 4.136 . 0 0 "[ . 1 . 2]" 1 1279 1 48 ARG QD 1 49 VAL H . . 5.120 4.114 2.255 5.092 . 0 0 "[ . 1 . 2]" 1 1280 1 48 ARG QD 1 50 LEU QD . . 3.730 2.870 1.779 3.731 0.001 6 0 "[ . 1 . 2]" 1 1281 1 48 ARG QG 1 49 VAL H . . 4.260 3.239 2.106 4.260 0.000 9 0 "[ . 1 . 2]" 1 1282 1 48 ARG QG 1 50 LEU QD . . 4.780 3.307 1.808 4.780 0.000 3 0 "[ . 1 . 2]" 1 1283 1 48 ARG QG 1 84 SER H . . 5.340 4.693 3.488 5.302 . 0 0 "[ . 1 . 2]" 1 1284 1 49 VAL H 1 49 VAL HB . . 3.260 2.638 2.575 2.706 . 0 0 "[ . 1 . 2]" 1 1285 1 49 VAL H 1 49 VAL MG1 . . 3.960 3.847 3.809 3.883 . 0 0 "[ . 1 . 2]" 1 1286 1 49 VAL H 1 49 VAL MG2 . . 3.600 2.824 2.684 2.946 . 0 0 "[ . 1 . 2]" 1 1287 1 49 VAL H 1 50 LEU H . . 4.440 4.333 4.246 4.400 . 0 0 "[ . 1 . 2]" 1 1288 1 49 VAL H 1 57 GLU H . . 4.910 4.135 3.873 4.452 . 0 0 "[ . 1 . 2]" 1 1289 1 49 VAL H 1 57 GLU HB2 . . 5.500 4.778 4.471 5.187 . 0 0 "[ . 1 . 2]" 1 1290 1 49 VAL H 1 59 VAL QG . . 3.760 3.051 2.711 3.348 . 0 0 "[ . 1 . 2]" 1 1291 1 49 VAL HA 1 49 VAL MG1 . . 3.300 2.374 2.268 2.468 . 0 0 "[ . 1 . 2]" 1 1292 1 49 VAL HA 1 49 VAL MG2 . . 3.340 2.331 2.246 2.431 . 0 0 "[ . 1 . 2]" 1 1293 1 49 VAL HA 1 50 LEU H . . 2.780 2.150 2.141 2.172 . 0 0 "[ . 1 . 2]" 1 1294 1 49 VAL HA 1 50 LEU HA . . 5.140 4.395 4.381 4.403 . 0 0 "[ . 1 . 2]" 1 1295 1 49 VAL HA 1 50 LEU QB . . 4.290 4.189 4.104 4.275 . 0 0 "[ . 1 . 2]" 1 1296 1 49 VAL HA 1 50 LEU QD . . 4.580 3.326 3.002 4.450 . 0 0 "[ . 1 . 2]" 1 1297 1 49 VAL HA 1 83 VAL HA . . 3.600 2.450 2.349 2.597 . 0 0 "[ . 1 . 2]" 1 1298 1 49 VAL HA 1 83 VAL MG1 . . 4.270 3.892 3.765 4.053 . 0 0 "[ . 1 . 2]" 1 1299 1 49 VAL HA 1 83 VAL MG2 . . 3.930 3.216 2.922 3.453 . 0 0 "[ . 1 . 2]" 1 1300 1 49 VAL HA 1 84 SER H . . 3.680 3.468 3.292 3.609 . 0 0 "[ . 1 . 2]" 1 1301 1 49 VAL HB 1 50 LEU H . . 4.910 4.208 4.070 4.351 . 0 0 "[ . 1 . 2]" 1 1302 1 49 VAL HB 1 57 GLU H . . 4.610 3.205 2.741 3.475 . 0 0 "[ . 1 . 2]" 1 1303 1 49 VAL HB 1 57 GLU HB2 . . 3.810 2.470 2.096 2.743 . 0 0 "[ . 1 . 2]" 1 1304 1 49 VAL HB 1 57 GLU HB3 . . 4.080 3.854 3.255 4.067 . 0 0 "[ . 1 . 2]" 1 1305 1 49 VAL HB 1 57 GLU QG . . 4.400 4.225 3.912 4.402 0.002 17 0 "[ . 1 . 2]" 1 1306 1 49 VAL HB 1 59 VAL QG . . 3.480 3.185 2.921 3.428 . 0 0 "[ . 1 . 2]" 1 1307 1 49 VAL MG1 1 50 LEU H . . 3.400 2.572 2.333 2.886 . 0 0 "[ . 1 . 2]" 1 1308 1 49 VAL MG1 1 57 GLU H . . 4.630 3.533 3.150 3.805 . 0 0 "[ . 1 . 2]" 1 1309 1 49 VAL MG1 1 57 GLU HB2 . . 3.640 2.418 1.993 2.669 . 0 0 "[ . 1 . 2]" 1 1310 1 49 VAL MG1 1 57 GLU HB3 . . 3.900 3.697 3.109 3.894 . 0 0 "[ . 1 . 2]" 1 1311 1 49 VAL MG1 1 57 GLU QG . . 3.820 3.185 2.791 3.499 . 0 0 "[ . 1 . 2]" 1 1312 1 49 VAL MG1 1 73 TYR HB2 . . 4.980 4.587 4.419 4.696 . 0 0 "[ . 1 . 2]" 1 1313 1 49 VAL MG1 1 73 TYR HB3 . . 5.500 5.473 5.381 5.501 0.001 4 0 "[ . 1 . 2]" 1 1314 1 49 VAL MG1 1 73 TYR QD . . 4.010 3.829 3.567 3.994 . 0 0 "[ . 1 . 2]" 1 1315 1 49 VAL MG1 1 73 TYR QE . . 4.540 4.031 3.785 4.327 . 0 0 "[ . 1 . 2]" 1 1316 1 49 VAL MG1 1 75 PRO HA . . 4.400 4.228 3.999 4.402 0.002 8 0 "[ . 1 . 2]" 1 1317 1 49 VAL MG1 1 81 TYR HB2 . . 4.940 4.545 4.299 4.807 . 0 0 "[ . 1 . 2]" 1 1318 1 49 VAL MG1 1 81 TYR HB3 . . 4.370 3.226 3.024 3.449 . 0 0 "[ . 1 . 2]" 1 1319 1 49 VAL MG1 1 81 TYR QD . . 3.180 2.143 1.985 2.426 . 0 0 "[ . 1 . 2]" 1 1320 1 49 VAL MG1 1 81 TYR QE . . 3.490 2.820 2.657 3.053 . 0 0 "[ . 1 . 2]" 1 1321 1 49 VAL MG1 1 82 MET H . . 5.050 3.333 3.086 3.654 . 0 0 "[ . 1 . 2]" 1 1322 1 49 VAL MG2 1 50 LEU H . . 4.100 4.032 3.984 4.115 0.015 16 0 "[ . 1 . 2]" 1 1323 1 49 VAL MG2 1 57 GLU HB2 . . 4.210 3.633 3.209 3.897 . 0 0 "[ . 1 . 2]" 1 1324 1 49 VAL MG2 1 57 GLU HB3 . . 4.920 4.383 3.793 4.658 . 0 0 "[ . 1 . 2]" 1 1325 1 49 VAL MG2 1 59 VAL QG . . 3.000 1.858 1.664 2.005 . 0 0 "[ . 1 . 2]" 1 1326 1 49 VAL MG2 1 73 TYR HB2 . . 4.190 3.538 3.302 3.700 . 0 0 "[ . 1 . 2]" 1 1327 1 49 VAL MG2 1 73 TYR HB3 . . 4.030 3.919 3.775 4.033 0.003 16 0 "[ . 1 . 2]" 1 1328 1 49 VAL MG2 1 73 TYR QD . . 3.930 3.691 3.455 3.860 . 0 0 "[ . 1 . 2]" 1 1329 1 49 VAL MG2 1 81 TYR QE . . 5.500 5.002 4.775 5.193 . 0 0 "[ . 1 . 2]" 1 1330 1 49 VAL MG2 1 83 VAL HA . . 3.870 2.971 2.744 3.320 . 0 0 "[ . 1 . 2]" 1 1331 1 49 VAL MG2 1 83 VAL MG2 . . 3.050 2.267 1.867 2.648 . 0 0 "[ . 1 . 2]" 1 1332 1 49 VAL MG2 1 84 SER H . . 4.500 4.273 4.106 4.421 . 0 0 "[ . 1 . 2]" 1 1333 1 50 LEU H 1 50 LEU QB . . 3.080 2.402 2.281 2.500 . 0 0 "[ . 1 . 2]" 1 1334 1 50 LEU H 1 50 LEU QD . . 3.920 2.699 2.328 3.569 . 0 0 "[ . 1 . 2]" 1 1335 1 50 LEU H 1 50 LEU HG . . 4.590 4.239 3.268 4.574 . 0 0 "[ . 1 . 2]" 1 1336 1 50 LEU H 1 81 TYR HB3 . . 5.150 4.546 4.293 4.718 . 0 0 "[ . 1 . 2]" 1 1337 1 50 LEU H 1 81 TYR QD . . 4.650 4.440 4.100 4.655 0.005 6 0 "[ . 1 . 2]" 1 1338 1 50 LEU H 1 82 MET H . . 3.910 2.896 2.779 3.021 . 0 0 "[ . 1 . 2]" 1 1339 1 50 LEU H 1 82 MET HB2 . . 4.960 4.721 4.535 4.916 . 0 0 "[ . 1 . 2]" 1 1340 1 50 LEU H 1 82 MET HB3 . . 4.140 3.211 3.078 3.393 . 0 0 "[ . 1 . 2]" 1 1341 1 50 LEU H 1 82 MET HG2 . . 5.500 4.531 4.125 5.263 . 0 0 "[ . 1 . 2]" 1 1342 1 50 LEU H 1 82 MET HG3 . . 5.500 5.476 5.388 5.509 0.009 16 0 "[ . 1 . 2]" 1 1343 1 50 LEU H 1 83 VAL HA . . 4.040 3.682 3.535 3.867 . 0 0 "[ . 1 . 2]" 1 1344 1 50 LEU H 1 83 VAL MG2 . . 4.680 4.120 3.907 4.403 . 0 0 "[ . 1 . 2]" 1 1345 1 50 LEU HA 1 50 LEU QD . . 3.320 2.233 1.891 2.908 . 0 0 "[ . 1 . 2]" 1 1346 1 50 LEU HA 1 50 LEU HG . . 4.040 3.254 2.265 3.742 . 0 0 "[ . 1 . 2]" 1 1347 1 50 LEU HA 1 56 VAL HA . . 4.180 3.260 2.865 4.181 0.001 7 0 "[ . 1 . 2]" 1 1348 1 50 LEU HA 1 57 GLU H . . 5.040 3.953 3.523 4.741 . 0 0 "[ . 1 . 2]" 1 1349 1 50 LEU HA 1 82 MET HB3 . . 5.370 4.972 4.828 5.150 . 0 0 "[ . 1 . 2]" 1 1350 1 50 LEU QB 1 82 MET H . . 4.340 3.646 3.143 4.027 . 0 0 "[ . 1 . 2]" 1 1351 1 50 LEU QB 1 82 MET HB2 . . 3.940 3.774 3.347 3.949 0.009 11 0 "[ . 1 . 2]" 1 1352 1 50 LEU QB 1 82 MET HB3 . . 3.450 2.288 1.984 2.487 . 0 0 "[ . 1 . 2]" 1 1353 1 50 LEU QB 1 82 MET QG . . 3.950 3.635 3.362 3.791 . 0 0 "[ . 1 . 2]" 1 1354 1 50 LEU QD 1 56 VAL HA . . 4.610 3.414 2.231 4.619 0.009 8 0 "[ . 1 . 2]" 1 1355 1 50 LEU QD 1 82 MET ME . . 3.700 2.838 1.795 3.597 . 0 0 "[ . 1 . 2]" 1 1356 1 50 LEU QD 1 82 MET QG . . 4.340 3.741 2.678 4.342 0.002 1 0 "[ . 1 . 2]" 1 1357 1 50 LEU QD 1 84 SER QB . . 4.000 3.406 2.883 3.935 . 0 0 "[ . 1 . 2]" 1 1358 1 52 PRO HA 1 54 GLY H . . 4.640 4.483 4.139 4.648 0.008 17 0 "[ . 1 . 2]" 1 1359 1 52 PRO HA 1 80 PRO QB . . 5.340 4.267 3.759 4.660 . 0 0 "[ . 1 . 2]" 1 1360 1 52 PRO HA 1 80 PRO QD . . 4.730 4.188 3.958 4.620 . 0 0 "[ . 1 . 2]" 1 1361 1 52 PRO HA 1 80 PRO QG . . 4.400 3.014 2.722 3.457 . 0 0 "[ . 1 . 2]" 1 1362 1 52 PRO QB 1 53 ARG H . . 3.930 3.035 2.837 3.305 . 0 0 "[ . 1 . 2]" 1 1363 1 52 PRO QB 1 79 GLY QA . . 5.000 3.167 2.885 3.481 . 0 0 "[ . 1 . 2]" 1 1364 1 52 PRO QB 1 80 PRO QD . . 3.600 2.087 1.926 2.387 . 0 0 "[ . 1 . 2]" 1 1365 1 52 PRO QB 1 80 PRO QG . . 3.260 2.057 1.955 2.276 . 0 0 "[ . 1 . 2]" 1 1366 1 52 PRO HD2 1 53 ARG QD . . 3.640 2.773 2.423 3.002 . 0 0 "[ . 1 . 2]" 1 1367 1 52 PRO HD2 1 55 LEU HB2 . . 5.290 4.704 3.620 5.265 . 0 0 "[ . 1 . 2]" 1 1368 1 52 PRO HD2 1 55 LEU HB3 . . 5.300 3.645 2.846 3.951 . 0 0 "[ . 1 . 2]" 1 1369 1 52 PRO HD2 1 55 LEU MD2 . . 4.680 3.989 3.473 4.228 . 0 0 "[ . 1 . 2]" 1 1370 1 52 PRO HD2 1 77 GLN HE21 . . 5.270 2.872 1.908 3.595 . 0 0 "[ . 1 . 2]" 1 1371 1 52 PRO HD2 1 77 GLN HE22 . . 5.270 4.138 3.317 4.736 . 0 0 "[ . 1 . 2]" 1 1372 1 52 PRO HD2 1 77 GLN HG2 . . 5.060 4.373 3.646 4.815 . 0 0 "[ . 1 . 2]" 1 1373 1 52 PRO HD2 1 77 GLN HG3 . . 4.850 3.997 3.546 4.651 . 0 0 "[ . 1 . 2]" 1 1374 1 52 PRO HD2 1 81 TYR HA . . 4.950 4.866 4.563 4.956 0.006 4 0 "[ . 1 . 2]" 1 1375 1 52 PRO HD2 1 81 TYR QD . . 5.130 4.243 3.995 4.457 . 0 0 "[ . 1 . 2]" 1 1376 1 52 PRO HD2 1 81 TYR QE . . 3.980 3.218 2.997 3.476 . 0 0 "[ . 1 . 2]" 1 1377 1 52 PRO HD3 1 53 ARG QD . . 4.470 4.164 3.925 4.504 0.034 7 0 "[ . 1 . 2]" 1 1378 1 52 PRO HD3 1 55 LEU HB3 . . 5.470 5.032 4.395 5.393 . 0 0 "[ . 1 . 2]" 1 1379 1 52 PRO HD3 1 55 LEU MD2 . . 5.370 5.007 4.316 5.304 . 0 0 "[ . 1 . 2]" 1 1380 1 52 PRO HD3 1 77 GLN HG2 . . 5.500 4.966 4.328 5.376 . 0 0 "[ . 1 . 2]" 1 1381 1 52 PRO HD3 1 77 GLN HG3 . . 5.080 4.417 4.053 4.905 . 0 0 "[ . 1 . 2]" 1 1382 1 52 PRO HD3 1 81 TYR HA . . 4.900 3.379 2.979 3.573 . 0 0 "[ . 1 . 2]" 1 1383 1 52 PRO HD3 1 81 TYR QD . . 4.880 2.685 2.407 2.900 . 0 0 "[ . 1 . 2]" 1 1384 1 52 PRO HD3 1 81 TYR QE . . 3.960 2.506 2.217 2.934 . 0 0 "[ . 1 . 2]" 1 1385 1 52 PRO HG2 1 53 ARG QD . . 3.320 2.153 1.820 3.091 . 0 0 "[ . 1 . 2]" 1 1386 1 52 PRO HG2 1 53 ARG HG3 . . 3.420 2.646 1.983 3.123 . 0 0 "[ . 1 . 2]" 1 1387 1 52 PRO HG2 1 54 GLY H . . 4.960 4.397 4.279 4.648 . 0 0 "[ . 1 . 2]" 1 1388 1 52 PRO HG2 1 77 GLN QE . . 4.190 3.107 2.108 3.559 . 0 0 "[ . 1 . 2]" 1 1389 1 52 PRO HG2 1 81 TYR QE . . 4.440 4.285 3.811 4.444 0.004 9 0 "[ . 1 . 2]" 1 1390 1 52 PRO HG3 1 53 ARG QD . . 4.380 3.541 3.100 4.415 0.035 8 0 "[ . 1 . 2]" 1 1391 1 52 PRO HG3 1 77 GLN HE21 . . 5.500 3.732 2.859 4.318 . 0 0 "[ . 1 . 2]" 1 1392 1 52 PRO HG3 1 77 GLN HE22 . . 5.500 5.086 3.587 5.431 . 0 0 "[ . 1 . 2]" 1 1393 1 52 PRO HG3 1 77 GLN HG2 . . 5.500 5.132 4.331 5.481 . 0 0 "[ . 1 . 2]" 1 1394 1 52 PRO HG3 1 77 GLN HG3 . . 5.050 3.879 3.368 4.366 . 0 0 "[ . 1 . 2]" 1 1395 1 52 PRO HG3 1 79 GLY QA . . 4.630 2.502 2.204 2.644 . 0 0 "[ . 1 . 2]" 1 1396 1 52 PRO HG3 1 81 TYR QD . . 5.500 3.804 3.405 4.061 . 0 0 "[ . 1 . 2]" 1 1397 1 52 PRO HG3 1 81 TYR QE . . 4.150 3.170 2.497 3.464 . 0 0 "[ . 1 . 2]" 1 1398 1 53 ARG H 1 53 ARG QD . . 4.830 1.865 1.841 1.959 . 0 0 "[ . 1 . 2]" 1 1399 1 53 ARG H 1 54 GLY H . . 3.720 2.335 1.994 2.545 . 0 0 "[ . 1 . 2]" 1 1400 1 53 ARG HA 1 53 ARG HD2 . . 5.420 4.478 3.903 5.141 . 0 0 "[ . 1 . 2]" 1 1401 1 53 ARG HA 1 53 ARG QD . . 4.560 3.757 3.669 3.839 . 0 0 "[ . 1 . 2]" 1 1402 1 53 ARG HA 1 53 ARG HD3 . . 5.420 4.195 3.830 4.734 . 0 0 "[ . 1 . 2]" 1 1403 1 53 ARG HB2 1 53 ARG HD2 . . 3.570 3.195 2.320 3.670 0.100 4 0 "[ . 1 . 2]" 1 1404 1 53 ARG HB2 1 53 ARG QD . . 2.850 2.342 2.106 2.910 0.060 20 0 "[ . 1 . 2]" 1 1405 1 53 ARG HB2 1 53 ARG HD3 . . 3.570 2.464 2.180 3.064 . 0 0 "[ . 1 . 2]" 1 1406 1 53 ARG HB2 1 54 GLY H . . 4.140 3.080 2.647 4.158 0.018 20 0 "[ . 1 . 2]" 1 1407 1 53 ARG HB2 1 54 GLY QA . . 4.480 4.134 3.985 4.391 . 0 0 "[ . 1 . 2]" 1 1408 1 53 ARG HB2 1 77 GLN QE . . 5.340 4.153 2.849 5.317 . 0 0 "[ . 1 . 2]" 1 1409 1 53 ARG HB3 1 53 ARG QD . . 3.690 3.318 3.136 3.533 . 0 0 "[ . 1 . 2]" 1 1410 1 53 ARG HB3 1 54 GLY H . . 5.260 4.108 3.780 4.621 . 0 0 "[ . 1 . 2]" 1 1411 1 53 ARG HG3 1 54 GLY H . . 4.590 4.381 3.940 4.616 0.026 19 0 "[ . 1 . 2]" 1 1412 1 53 ARG HG3 1 77 GLN HE21 . . 5.500 4.670 2.627 5.449 . 0 0 "[ . 1 . 2]" 1 1413 1 53 ARG HG3 1 77 GLN HE22 . . 5.500 4.676 2.636 5.419 . 0 0 "[ . 1 . 2]" 1 1414 1 54 GLY H 1 54 GLY QA . . 2.580 2.397 2.284 2.437 . 0 0 "[ . 1 . 2]" 1 1415 1 54 GLY H 1 55 LEU H . . 3.300 1.950 1.794 2.561 . 0 0 "[ . 1 . 2]" 1 1416 1 54 GLY H 1 55 LEU HB3 . . 4.530 3.893 3.650 4.478 . 0 0 "[ . 1 . 2]" 1 1417 1 55 LEU H 1 55 LEU HB2 . . 3.740 2.925 2.795 3.024 . 0 0 "[ . 1 . 2]" 1 1418 1 55 LEU H 1 55 LEU HB3 . . 3.500 2.352 2.243 2.640 . 0 0 "[ . 1 . 2]" 1 1419 1 55 LEU H 1 55 LEU MD1 . . 4.670 4.346 4.288 4.406 . 0 0 "[ . 1 . 2]" 1 1420 1 55 LEU H 1 55 LEU MD2 . . 5.210 4.152 4.044 4.487 . 0 0 "[ . 1 . 2]" 1 1421 1 55 LEU H 1 55 LEU HG . . 4.480 4.313 4.176 4.512 0.032 8 0 "[ . 1 . 2]" 1 1422 1 55 LEU H 1 56 VAL H . . 4.660 4.564 4.406 4.618 . 0 0 "[ . 1 . 2]" 1 1423 1 55 LEU HA 1 55 LEU MD1 . . 3.470 2.405 2.245 2.570 . 0 0 "[ . 1 . 2]" 1 1424 1 55 LEU HA 1 55 LEU MD2 . . 4.060 3.978 3.883 4.020 . 0 0 "[ . 1 . 2]" 1 1425 1 55 LEU HA 1 55 LEU HG . . 4.210 3.112 2.844 3.218 . 0 0 "[ . 1 . 2]" 1 1426 1 55 LEU HA 1 56 VAL H . . 2.890 2.266 2.178 2.333 . 0 0 "[ . 1 . 2]" 1 1427 1 55 LEU HA 1 56 VAL HB . . 4.840 4.596 4.377 4.682 . 0 0 "[ . 1 . 2]" 1 1428 1 55 LEU HA 1 56 VAL QG . . 3.990 3.453 3.255 3.676 . 0 0 "[ . 1 . 2]" 1 1429 1 55 LEU HB2 1 55 LEU MD1 . . 3.550 2.206 2.078 2.306 . 0 0 "[ . 1 . 2]" 1 1430 1 55 LEU HB2 1 55 LEU MD2 . . 3.370 2.540 2.354 2.666 . 0 0 "[ . 1 . 2]" 1 1431 1 55 LEU HB2 1 56 VAL H . . 4.190 3.855 3.653 4.171 . 0 0 "[ . 1 . 2]" 1 1432 1 55 LEU HB3 1 55 LEU MD2 . . 3.470 2.131 2.009 2.352 . 0 0 "[ . 1 . 2]" 1 1433 1 55 LEU HB3 1 55 LEU HG . . 2.720 2.582 2.473 2.632 . 0 0 "[ . 1 . 2]" 1 1434 1 55 LEU HB3 1 56 VAL H . . 4.060 3.993 3.868 4.063 0.003 4 0 "[ . 1 . 2]" 1 1435 1 55 LEU HB3 1 77 GLN QE . . 5.340 3.912 2.744 5.211 . 0 0 "[ . 1 . 2]" 1 1436 1 55 LEU MD1 1 56 VAL H . . 3.550 2.243 1.866 3.116 . 0 0 "[ . 1 . 2]" 1 1437 1 55 LEU MD2 1 56 VAL H . . 4.360 4.014 3.845 4.223 . 0 0 "[ . 1 . 2]" 1 1438 1 55 LEU MD2 1 57 GLU QG . . 4.200 2.202 2.001 2.651 . 0 0 "[ . 1 . 2]" 1 1439 1 55 LEU MD2 1 76 SER QB . . 3.990 2.799 2.168 3.607 . 0 0 "[ . 1 . 2]" 1 1440 1 55 LEU MD2 1 77 GLN HE21 . . 4.470 3.511 2.660 4.464 . 0 0 "[ . 1 . 2]" 1 1441 1 55 LEU MD2 1 77 GLN QE . . 3.890 3.180 2.522 3.880 . 0 0 "[ . 1 . 2]" 1 1442 1 55 LEU MD2 1 77 GLN HE22 . . 4.470 3.683 3.050 4.464 . 0 0 "[ . 1 . 2]" 1 1443 1 55 LEU MD2 1 77 GLN HG2 . . 3.890 3.261 2.662 3.645 . 0 0 "[ . 1 . 2]" 1 1444 1 55 LEU MD2 1 77 GLN HG3 . . 4.530 4.355 3.926 4.526 . 0 0 "[ . 1 . 2]" 1 1445 1 55 LEU MD2 1 81 TYR QE . . 4.890 3.535 2.877 3.945 . 0 0 "[ . 1 . 2]" 1 1446 1 55 LEU HG 1 56 VAL H . . 4.250 2.424 2.275 2.624 . 0 0 "[ . 1 . 2]" 1 1447 1 55 LEU HG 1 56 VAL HB . . 5.010 4.614 4.460 4.911 . 0 0 "[ . 1 . 2]" 1 1448 1 55 LEU HG 1 57 GLU QG . . 4.670 2.567 2.225 3.152 . 0 0 "[ . 1 . 2]" 1 1449 1 56 VAL H 1 56 VAL HB . . 3.110 2.623 2.555 3.052 . 0 0 "[ . 1 . 2]" 1 1450 1 56 VAL H 1 56 VAL QG . . 3.070 2.612 1.967 2.748 . 0 0 "[ . 1 . 2]" 1 1451 1 56 VAL HA 1 56 VAL MG1 . . 3.480 2.433 2.302 3.201 . 0 0 "[ . 1 . 2]" 1 1452 1 56 VAL HA 1 56 VAL QG . . 2.960 2.129 2.061 2.261 . 0 0 "[ . 1 . 2]" 1 1453 1 56 VAL HA 1 56 VAL MG2 . . 3.480 2.375 2.274 2.497 . 0 0 "[ . 1 . 2]" 1 1454 1 56 VAL HA 1 57 GLU H . . 3.390 2.152 2.141 2.208 . 0 0 "[ . 1 . 2]" 1 1455 1 56 VAL HA 1 57 GLU HA . . 5.500 4.399 4.391 4.418 . 0 0 "[ . 1 . 2]" 1 1456 1 56 VAL QG 1 57 GLU H . . 4.120 2.675 2.308 3.047 . 0 0 "[ . 1 . 2]" 1 1457 1 57 GLU H 1 57 GLU HB2 . . 4.130 2.592 2.317 2.715 . 0 0 "[ . 1 . 2]" 1 1458 1 57 GLU H 1 57 GLU QG . . 4.080 3.013 2.591 3.531 . 0 0 "[ . 1 . 2]" 1 1459 1 57 GLU HA 1 58 PRO HD2 . . 3.340 2.232 2.191 2.278 . 0 0 "[ . 1 . 2]" 1 1460 1 57 GLU HA 1 58 PRO QD . . 2.920 1.998 1.977 2.022 . 0 0 "[ . 1 . 2]" 1 1461 1 57 GLU HA 1 58 PRO HD3 . . 3.340 2.254 2.251 2.261 . 0 0 "[ . 1 . 2]" 1 1462 1 57 GLU HA 1 58 PRO HG2 . . 4.640 4.377 4.344 4.413 . 0 0 "[ . 1 . 2]" 1 1463 1 57 GLU HA 1 58 PRO HG3 . . 4.640 4.381 4.363 4.402 . 0 0 "[ . 1 . 2]" 1 1464 1 57 GLU HB2 1 58 PRO HD2 . . 4.960 3.871 3.779 3.960 . 0 0 "[ . 1 . 2]" 1 1465 1 57 GLU HB2 1 58 PRO QD . . 4.150 3.724 3.645 3.801 . 0 0 "[ . 1 . 2]" 1 1466 1 57 GLU HB2 1 58 PRO HD3 . . 4.960 4.843 4.783 4.901 . 0 0 "[ . 1 . 2]" 1 1467 1 57 GLU HB2 1 75 PRO HA . . 5.320 5.168 4.803 5.324 0.004 10 0 "[ . 1 . 2]" 1 1468 1 57 GLU HB2 1 81 TYR QE . . 4.460 3.899 3.479 4.252 . 0 0 "[ . 1 . 2]" 1 1469 1 57 GLU HB3 1 58 PRO HD2 . . 3.880 2.394 2.309 2.479 . 0 0 "[ . 1 . 2]" 1 1470 1 57 GLU HB3 1 58 PRO QD . . 3.390 2.370 2.288 2.451 . 0 0 "[ . 1 . 2]" 1 1471 1 57 GLU HB3 1 58 PRO HD3 . . 3.880 3.784 3.712 3.855 . 0 0 "[ . 1 . 2]" 1 1472 1 57 GLU HB3 1 75 PRO HA . . 5.330 5.058 4.510 5.333 0.003 5 0 "[ . 1 . 2]" 1 1473 1 57 GLU HB3 1 81 TYR QE . . 4.830 4.681 4.202 4.837 0.007 16 0 "[ . 1 . 2]" 1 1474 1 57 GLU QG 1 58 PRO HD2 . . 4.880 3.794 2.921 4.078 . 0 0 "[ . 1 . 2]" 1 1475 1 57 GLU QG 1 58 PRO QD . . 4.200 3.617 2.824 3.874 . 0 0 "[ . 1 . 2]" 1 1476 1 57 GLU QG 1 58 PRO HD3 . . 4.880 4.564 3.745 4.852 . 0 0 "[ . 1 . 2]" 1 1477 1 57 GLU QG 1 73 TYR QD . . 5.480 5.192 4.623 5.469 . 0 0 "[ . 1 . 2]" 1 1478 1 57 GLU QG 1 75 PRO HA . . 4.100 3.779 3.112 4.100 . 0 0 "[ . 1 . 2]" 1 1479 1 57 GLU QG 1 76 SER H . . 4.320 3.387 2.918 3.983 . 0 0 "[ . 1 . 2]" 1 1480 1 57 GLU QG 1 76 SER QB . . 5.340 3.553 3.141 4.366 . 0 0 "[ . 1 . 2]" 1 1481 1 57 GLU QG 1 81 TYR QE . . 3.180 2.725 2.145 3.180 0.000 13 0 "[ . 1 . 2]" 1 1482 1 58 PRO HA 1 59 VAL H . . 2.640 2.425 2.396 2.495 . 0 0 "[ . 1 . 2]" 1 1483 1 58 PRO QB 1 59 VAL H . . 3.160 2.488 2.338 2.549 . 0 0 "[ . 1 . 2]" 1 1484 1 58 PRO HB2 1 59 VAL H . . 3.670 2.555 2.387 2.624 . 0 0 "[ . 1 . 2]" 1 1485 1 58 PRO HB3 1 59 VAL H . . 3.670 3.425 3.344 3.459 . 0 0 "[ . 1 . 2]" 1 1486 1 58 PRO QD 1 59 VAL H . . 4.960 4.938 4.897 4.953 . 0 0 "[ . 1 . 2]" 1 1487 1 58 PRO QG 1 59 VAL H . . 4.370 4.126 4.006 4.174 . 0 0 "[ . 1 . 2]" 1 1488 1 58 PRO HG2 1 59 VAL H . . 5.090 4.378 4.243 4.431 . 0 0 "[ . 1 . 2]" 1 1489 1 58 PRO HG3 1 59 VAL H . . 5.090 5.046 4.919 5.097 0.007 11 0 "[ . 1 . 2]" 1 1490 1 59 VAL H 1 59 VAL HB . . 3.870 3.515 2.832 3.881 0.011 11 0 "[ . 1 . 2]" 1 1491 1 59 VAL H 1 59 VAL QG . . 3.240 2.397 1.980 2.961 . 0 0 "[ . 1 . 2]" 1 1492 1 59 VAL H 1 60 ASN H . . 4.660 4.411 4.365 4.432 . 0 0 "[ . 1 . 2]" 1 1493 1 59 VAL HA 1 60 ASN HB2 . . 4.770 4.418 4.261 4.631 . 0 0 "[ . 1 . 2]" 1 1494 1 59 VAL HA 1 60 ASN HB3 . . 4.730 4.594 4.306 4.732 0.002 1 0 "[ . 1 . 2]" 1 1495 1 59 VAL HA 1 71 VAL MG1 . . 4.080 3.882 3.576 4.054 . 0 0 "[ . 1 . 2]" 1 1496 1 59 VAL HB 1 60 ASN H . . 3.790 2.861 2.279 3.796 0.006 10 0 "[ . 1 . 2]" 1 1497 1 59 VAL HB 1 60 ASN HA . . 5.210 4.561 4.330 4.881 . 0 0 "[ . 1 . 2]" 1 1498 1 59 VAL HB 1 71 VAL MG1 . . 3.870 3.099 2.519 3.875 0.005 4 0 "[ . 1 . 2]" 1 1499 1 59 VAL QG 1 60 ASN H . . 3.650 2.736 1.860 3.239 . 0 0 "[ . 1 . 2]" 1 1500 1 59 VAL QG 1 71 VAL MG1 . . 3.380 2.587 1.708 3.189 . 0 0 "[ . 1 . 2]" 1 1501 1 59 VAL QG 1 73 TYR HB2 . . 3.630 3.395 3.250 3.632 0.002 18 0 "[ . 1 . 2]" 1 1502 1 59 VAL QG 1 73 TYR HB3 . . 3.330 3.130 2.726 3.330 0.000 9 0 "[ . 1 . 2]" 1 1503 1 59 VAL QG 1 73 TYR QD . . 4.500 4.127 3.736 4.418 . 0 0 "[ . 1 . 2]" 1 1504 1 60 ASN H 1 60 ASN HB2 . . 3.360 3.017 2.867 3.364 0.004 14 0 "[ . 1 . 2]" 1 1505 1 60 ASN H 1 60 ASN HB3 . . 3.410 2.567 2.390 2.718 . 0 0 "[ . 1 . 2]" 1 1506 1 60 ASN H 1 71 VAL MG1 . . 3.560 2.560 2.131 2.971 . 0 0 "[ . 1 . 2]" 1 1507 1 60 ASN H 1 72 THR H . . 3.570 3.541 3.438 3.631 0.061 18 0 "[ . 1 . 2]" 1 1508 1 60 ASN H 1 72 THR HA . . 5.460 5.260 5.110 5.423 . 0 0 "[ . 1 . 2]" 1 1509 1 60 ASN H 1 73 TYR HB3 . . 4.520 3.814 3.482 4.137 . 0 0 "[ . 1 . 2]" 1 1510 1 60 ASN HA 1 61 VAL H . . 2.500 2.210 2.192 2.239 . 0 0 "[ . 1 . 2]" 1 1511 1 60 ASN HA 1 61 VAL HB . . 4.770 4.542 4.404 4.711 . 0 0 "[ . 1 . 2]" 1 1512 1 60 ASN HA 1 61 VAL QG . . 3.990 3.476 3.260 3.687 . 0 0 "[ . 1 . 2]" 1 1513 1 60 ASN HB2 1 61 VAL H . . 4.090 4.054 3.849 4.115 0.025 11 0 "[ . 1 . 2]" 1 1514 1 60 ASN HB2 1 71 VAL HA . . 5.500 4.954 4.567 5.101 . 0 0 "[ . 1 . 2]" 1 1515 1 60 ASN HB2 1 72 THR H . . 4.370 3.581 3.390 3.635 . 0 0 "[ . 1 . 2]" 1 1516 1 60 ASN HB2 1 72 THR HA . . 5.500 5.503 5.461 5.561 0.061 18 0 "[ . 1 . 2]" 1 1517 1 60 ASN HB2 1 72 THR HB . . 5.070 4.709 4.586 5.085 0.015 18 0 "[ . 1 . 2]" 1 1518 1 60 ASN HB2 1 72 THR MG . . 4.860 4.648 4.466 4.816 . 0 0 "[ . 1 . 2]" 1 1519 1 60 ASN HB2 1 73 TYR HA . . 5.500 5.006 4.816 5.262 . 0 0 "[ . 1 . 2]" 1 1520 1 60 ASN HB3 1 61 VAL H . . 4.230 4.031 3.858 4.174 . 0 0 "[ . 1 . 2]" 1 1521 1 60 ASN HB3 1 71 VAL HA . . 4.110 3.286 2.853 3.504 . 0 0 "[ . 1 . 2]" 1 1522 1 60 ASN HB3 1 72 THR H . . 4.200 1.896 1.849 1.916 . 0 0 "[ . 1 . 2]" 1 1523 1 60 ASN HB3 1 72 THR HA . . 5.080 4.238 4.041 4.561 . 0 0 "[ . 1 . 2]" 1 1524 1 60 ASN HB3 1 72 THR HB . . 4.740 4.118 3.885 4.691 . 0 0 "[ . 1 . 2]" 1 1525 1 60 ASN HB3 1 72 THR MG . . 4.700 3.712 3.496 3.890 . 0 0 "[ . 1 . 2]" 1 1526 1 60 ASN HD21 1 62 VAL QG . . 4.940 2.959 2.319 3.408 . 0 0 "[ . 1 . 2]" 1 1527 1 60 ASN HD21 1 71 VAL HA . . 3.660 2.917 1.922 3.626 . 0 0 "[ . 1 . 2]" 1 1528 1 60 ASN HD22 1 62 VAL MG1 . . 4.650 4.050 1.943 4.340 . 0 0 "[ . 1 . 2]" 1 1529 1 60 ASN HD22 1 62 VAL QG . . 4.000 1.826 1.734 1.946 . 0 0 "[ . 1 . 2]" 1 1530 1 60 ASN HD22 1 62 VAL MG2 . . 4.650 1.853 1.736 2.353 . 0 0 "[ . 1 . 2]" 1 1531 1 60 ASN HD22 1 70 THR MG . . 5.500 4.048 3.329 4.837 . 0 0 "[ . 1 . 2]" 1 1532 1 60 ASN HD22 1 71 VAL HA . . 4.900 4.403 3.401 4.913 0.013 11 0 "[ . 1 . 2]" 1 1533 1 60 ASN HD22 1 72 THR MG . . 5.460 3.799 3.431 4.181 . 0 0 "[ . 1 . 2]" 1 1534 1 61 VAL H 1 61 VAL HB . . 3.380 3.035 2.723 3.391 0.011 15 0 "[ . 1 . 2]" 1 1535 1 61 VAL H 1 61 VAL MG1 . . 4.210 2.879 1.926 3.886 . 0 0 "[ . 1 . 2]" 1 1536 1 61 VAL H 1 61 VAL QG . . 2.990 2.397 1.921 2.847 . 0 0 "[ . 1 . 2]" 1 1537 1 61 VAL H 1 61 VAL MG2 . . 4.210 3.431 2.871 3.940 . 0 0 "[ . 1 . 2]" 1 1538 1 61 VAL H 1 62 VAL H . . 4.260 4.124 3.948 4.238 . 0 0 "[ . 1 . 2]" 1 1539 1 61 VAL H 1 62 VAL QG . . 3.950 3.298 3.151 3.640 . 0 0 "[ . 1 . 2]" 1 1540 1 61 VAL H 1 71 VAL MG2 . . 5.230 5.032 4.847 5.224 . 0 0 "[ . 1 . 2]" 1 1541 1 61 VAL HA 1 69 HIS HB2 . . 5.500 5.483 5.293 5.506 0.006 17 0 "[ . 1 . 2]" 1 1542 1 61 VAL HA 1 69 HIS HB3 . . 5.500 4.364 4.079 4.532 . 0 0 "[ . 1 . 2]" 1 1543 1 61 VAL HA 1 71 VAL MG2 . . 3.780 2.786 2.579 2.946 . 0 0 "[ . 1 . 2]" 1 1544 1 61 VAL HB 1 62 VAL H . . 4.620 4.311 4.116 4.425 . 0 0 "[ . 1 . 2]" 1 1545 1 61 VAL QG 1 62 VAL H . . 3.220 2.760 2.534 2.972 . 0 0 "[ . 1 . 2]" 1 1546 1 61 VAL QG 1 69 HIS HA . . 4.900 4.812 4.657 4.911 0.011 18 0 "[ . 1 . 2]" 1 1547 1 61 VAL QG 1 69 HIS HB2 . . 4.210 4.089 3.901 4.211 0.001 18 0 "[ . 1 . 2]" 1 1548 1 61 VAL QG 1 69 HIS HB3 . . 3.390 3.086 2.962 3.205 . 0 0 "[ . 1 . 2]" 1 1549 1 61 VAL QG 1 70 THR H . . 4.970 4.806 4.613 4.970 0.000 4 0 "[ . 1 . 2]" 1 1550 1 62 VAL H 1 62 VAL HB . . 3.720 2.823 2.714 3.686 . 0 0 "[ . 1 . 2]" 1 1551 1 62 VAL H 1 62 VAL MG1 . . 3.900 3.872 3.497 3.921 0.021 10 0 "[ . 1 . 2]" 1 1552 1 62 VAL H 1 62 VAL QG . . 3.340 2.813 2.121 3.026 . 0 0 "[ . 1 . 2]" 1 1553 1 62 VAL H 1 62 VAL MG2 . . 3.900 2.892 2.139 3.161 . 0 0 "[ . 1 . 2]" 1 1554 1 62 VAL H 1 63 ASP H . . 4.630 4.204 4.053 4.352 . 0 0 "[ . 1 . 2]" 1 1555 1 62 VAL H 1 69 HIS HA . . 4.480 4.452 4.345 4.492 0.012 11 0 "[ . 1 . 2]" 1 1556 1 62 VAL H 1 69 HIS HB2 . . 5.110 5.009 4.788 5.110 0.000 2 0 "[ . 1 . 2]" 1 1557 1 62 VAL H 1 69 HIS HB3 . . 4.490 3.553 3.384 3.656 . 0 0 "[ . 1 . 2]" 1 1558 1 62 VAL H 1 70 THR H . . 3.500 3.335 3.124 3.474 . 0 0 "[ . 1 . 2]" 1 1559 1 62 VAL H 1 70 THR HB . . 4.150 3.908 3.762 4.118 . 0 0 "[ . 1 . 2]" 1 1560 1 62 VAL H 1 70 THR MG . . 4.480 4.452 4.397 4.486 0.006 13 0 "[ . 1 . 2]" 1 1561 1 62 VAL H 1 71 VAL HA . . 4.060 3.940 3.699 4.056 . 0 0 "[ . 1 . 2]" 1 1562 1 62 VAL H 1 71 VAL MG2 . . 3.910 3.673 3.321 3.840 . 0 0 "[ . 1 . 2]" 1 1563 1 62 VAL HA 1 62 VAL MG1 . . 3.260 2.407 2.008 2.469 . 0 0 "[ . 1 . 2]" 1 1564 1 62 VAL HA 1 62 VAL MG2 . . 3.260 2.425 2.215 3.145 . 0 0 "[ . 1 . 2]" 1 1565 1 62 VAL HA 1 63 ASP H . . 2.780 2.150 2.139 2.194 . 0 0 "[ . 1 . 2]" 1 1566 1 62 VAL HA 1 63 ASP HB2 . . 4.840 4.588 4.360 4.772 . 0 0 "[ . 1 . 2]" 1 1567 1 62 VAL HA 1 63 ASP QB . . 4.160 4.077 4.052 4.110 . 0 0 "[ . 1 . 2]" 1 1568 1 62 VAL HA 1 63 ASP HB3 . . 4.840 4.589 4.388 4.839 . 0 0 "[ . 1 . 2]" 1 1569 1 62 VAL HA 1 70 THR H . . 5.170 4.919 4.708 5.061 . 0 0 "[ . 1 . 2]" 1 1570 1 62 VAL HB 1 63 ASP H . . 4.510 4.192 3.683 4.325 . 0 0 "[ . 1 . 2]" 1 1571 1 62 VAL HB 1 70 THR H . . 4.100 3.504 3.099 4.065 . 0 0 "[ . 1 . 2]" 1 1572 1 62 VAL HB 1 70 THR HB . . 3.620 2.688 2.261 3.621 0.001 9 0 "[ . 1 . 2]" 1 1573 1 62 VAL HB 1 70 THR MG . . 4.560 3.785 3.518 4.444 . 0 0 "[ . 1 . 2]" 1 1574 1 62 VAL QG 1 63 ASP H . . 3.690 2.574 2.241 3.543 . 0 0 "[ . 1 . 2]" 1 1575 1 62 VAL QG 1 63 ASP HA . . 4.760 3.913 3.756 4.495 . 0 0 "[ . 1 . 2]" 1 1576 1 62 VAL QG 1 70 THR HB . . 3.650 3.295 1.908 3.621 . 0 0 "[ . 1 . 2]" 1 1577 1 62 VAL MG1 1 63 ASP H . . 4.400 2.611 2.253 3.758 . 0 0 "[ . 1 . 2]" 1 1578 1 62 VAL MG1 1 70 THR HB . . 4.540 3.668 3.369 4.426 . 0 0 "[ . 1 . 2]" 1 1579 1 62 VAL MG2 1 63 ASP H . . 4.400 4.053 3.919 4.338 . 0 0 "[ . 1 . 2]" 1 1580 1 62 VAL MG2 1 70 THR HB . . 4.540 3.898 1.910 4.333 . 0 0 "[ . 1 . 2]" 1 1581 1 63 ASP H 1 63 ASP HB2 . . 3.250 2.688 2.412 2.970 . 0 0 "[ . 1 . 2]" 1 1582 1 63 ASP H 1 63 ASP QB . . 2.840 2.260 2.217 2.318 . 0 0 "[ . 1 . 2]" 1 1583 1 63 ASP H 1 63 ASP HB3 . . 3.250 2.468 2.288 2.716 . 0 0 "[ . 1 . 2]" 1 1584 1 63 ASP H 1 64 ASN H . . 4.620 4.564 4.508 4.604 . 0 0 "[ . 1 . 2]" 1 1585 1 63 ASP HA 1 64 ASN H . . 2.730 2.181 2.151 2.223 . 0 0 "[ . 1 . 2]" 1 1586 1 63 ASP HA 1 64 ASN QD . . 5.060 3.165 3.020 3.303 . 0 0 "[ . 1 . 2]" 1 1587 1 63 ASP HA 1 69 HIS HA . . 3.630 2.432 2.168 2.661 . 0 0 "[ . 1 . 2]" 1 1588 1 63 ASP HA 1 69 HIS HB2 . . 5.500 4.577 4.392 4.749 . 0 0 "[ . 1 . 2]" 1 1589 1 63 ASP HA 1 69 HIS HB3 . . 5.040 3.323 3.139 3.535 . 0 0 "[ . 1 . 2]" 1 1590 1 63 ASP HA 1 70 THR H . . 3.990 3.696 3.502 3.910 . 0 0 "[ . 1 . 2]" 1 1591 1 63 ASP QB 1 69 HIS HE1 . . 4.620 3.183 2.579 3.671 . 0 0 "[ . 1 . 2]" 1 1592 1 63 ASP HB2 1 64 ASN H . . 5.120 4.120 3.975 4.293 . 0 0 "[ . 1 . 2]" 1 1593 1 63 ASP HB2 1 69 HIS HE1 . . 5.390 3.231 2.602 3.763 . 0 0 "[ . 1 . 2]" 1 1594 1 63 ASP HB3 1 64 ASN H . . 5.120 4.108 3.866 4.288 . 0 0 "[ . 1 . 2]" 1 1595 1 63 ASP HB3 1 69 HIS HE1 . . 5.390 4.807 4.221 5.213 . 0 0 "[ . 1 . 2]" 1 1596 1 64 ASN H 1 64 ASN HB2 . . 3.280 2.362 2.328 2.415 . 0 0 "[ . 1 . 2]" 1 1597 1 64 ASN H 1 64 ASN HB3 . . 3.590 3.583 3.569 3.600 0.010 5 0 "[ . 1 . 2]" 1 1598 1 64 ASN H 1 64 ASN QD . . 3.800 1.902 1.811 1.982 . 0 0 "[ . 1 . 2]" 1 1599 1 64 ASN H 1 65 GLY H . . 3.220 2.530 2.437 2.612 . 0 0 "[ . 1 . 2]" 1 1600 1 64 ASN H 1 65 GLY HA2 . . 5.160 4.758 4.677 4.810 . 0 0 "[ . 1 . 2]" 1 1601 1 64 ASN H 1 65 GLY QA . . 4.440 4.382 4.317 4.423 . 0 0 "[ . 1 . 2]" 1 1602 1 64 ASN H 1 65 GLY HA3 . . 5.160 5.128 5.067 5.167 0.007 4 0 "[ . 1 . 2]" 1 1603 1 64 ASN H 1 66 ASP H . . 4.470 4.430 4.311 4.475 0.005 8 0 "[ . 1 . 2]" 1 1604 1 64 ASN H 1 68 THR H . . 4.670 3.540 3.397 3.685 . 0 0 "[ . 1 . 2]" 1 1605 1 64 ASN H 1 68 THR HB . . 5.500 5.241 5.068 5.383 . 0 0 "[ . 1 . 2]" 1 1606 1 64 ASN H 1 69 HIS H . . 5.120 4.677 4.499 4.793 . 0 0 "[ . 1 . 2]" 1 1607 1 64 ASN H 1 69 HIS HA . . 3.260 2.738 2.620 2.804 . 0 0 "[ . 1 . 2]" 1 1608 1 64 ASN H 1 69 HIS HB2 . . 5.500 5.474 5.388 5.505 0.005 8 0 "[ . 1 . 2]" 1 1609 1 64 ASN H 1 70 THR H . . 4.160 4.068 3.870 4.155 . 0 0 "[ . 1 . 2]" 1 1610 1 64 ASN HA 1 65 GLY HA2 . . 5.260 5.130 5.119 5.163 . 0 0 "[ . 1 . 2]" 1 1611 1 64 ASN HA 1 65 GLY QA . . 4.520 4.246 4.242 4.256 . 0 0 "[ . 1 . 2]" 1 1612 1 64 ASN HA 1 65 GLY HA3 . . 5.260 4.530 4.526 4.534 . 0 0 "[ . 1 . 2]" 1 1613 1 64 ASN HA 1 66 ASP H . . 4.510 4.490 4.419 4.510 . 0 0 "[ . 1 . 2]" 1 1614 1 64 ASN HB2 1 64 ASN QD . . 3.380 2.366 2.325 2.413 . 0 0 "[ . 1 . 2]" 1 1615 1 64 ASN HB2 1 65 GLY H . . 4.230 2.602 2.493 2.691 . 0 0 "[ . 1 . 2]" 1 1616 1 64 ASN HB2 1 66 ASP H . . 3.810 2.874 2.746 2.967 . 0 0 "[ . 1 . 2]" 1 1617 1 64 ASN HB2 1 67 GLY H . . 5.190 3.083 3.002 3.166 . 0 0 "[ . 1 . 2]" 1 1618 1 64 ASN HB2 1 68 THR H . . 4.290 2.683 2.562 2.831 . 0 0 "[ . 1 . 2]" 1 1619 1 64 ASN HB2 1 69 HIS HA . . 5.060 4.237 4.128 4.380 . 0 0 "[ . 1 . 2]" 1 1620 1 64 ASN HB3 1 65 GLY H . . 4.420 3.501 3.409 3.590 . 0 0 "[ . 1 . 2]" 1 1621 1 64 ASN HB3 1 66 ASP H . . 3.980 2.993 2.886 3.088 . 0 0 "[ . 1 . 2]" 1 1622 1 64 ASN HB3 1 68 THR H . . 4.800 4.279 4.149 4.501 . 0 0 "[ . 1 . 2]" 1 1623 1 64 ASN QD 1 65 GLY H . . 5.120 3.954 3.819 4.047 . 0 0 "[ . 1 . 2]" 1 1624 1 64 ASN QD 1 66 ASP H . . 5.060 4.991 4.847 5.061 0.001 6 0 "[ . 1 . 2]" 1 1625 1 64 ASN QD 1 68 THR H . . 4.700 3.625 3.494 3.780 . 0 0 "[ . 1 . 2]" 1 1626 1 64 ASN QD 1 68 THR HB . . 4.320 3.369 3.228 3.547 . 0 0 "[ . 1 . 2]" 1 1627 1 64 ASN QD 1 69 HIS H . . 4.590 3.075 2.954 3.220 . 0 0 "[ . 1 . 2]" 1 1628 1 64 ASN QD 1 69 HIS HA . . 4.350 1.973 1.860 2.078 . 0 0 "[ . 1 . 2]" 1 1629 1 64 ASN QD 1 70 THR H . . 3.770 2.440 2.278 2.600 . 0 0 "[ . 1 . 2]" 1 1630 1 64 ASN QD 1 70 THR HB . . 4.280 3.628 3.334 3.821 . 0 0 "[ . 1 . 2]" 1 1631 1 65 GLY H 1 66 ASP H . . 3.500 2.510 2.400 2.666 . 0 0 "[ . 1 . 2]" 1 1632 1 65 GLY H 1 67 GLY H . . 4.350 3.270 3.150 3.414 . 0 0 "[ . 1 . 2]" 1 1633 1 65 GLY H 1 67 GLY QA . . 5.340 4.600 4.555 4.646 . 0 0 "[ . 1 . 2]" 1 1634 1 65 GLY H 1 68 THR H . . 4.670 3.255 3.189 3.333 . 0 0 "[ . 1 . 2]" 1 1635 1 65 GLY H 1 69 HIS HA . . 5.220 5.154 5.076 5.225 0.005 18 0 "[ . 1 . 2]" 1 1636 1 65 GLY QA 1 67 GLY H . . 4.370 4.325 4.224 4.395 0.025 8 0 "[ . 1 . 2]" 1 1637 1 66 ASP H 1 66 ASP HB2 . . 4.030 2.619 2.214 3.613 . 0 0 "[ . 1 . 2]" 1 1638 1 66 ASP H 1 66 ASP QB . . 3.470 2.375 2.191 2.774 . 0 0 "[ . 1 . 2]" 1 1639 1 66 ASP H 1 66 ASP HB3 . . 4.030 3.211 2.420 3.644 . 0 0 "[ . 1 . 2]" 1 1640 1 66 ASP H 1 67 GLY H . . 3.010 2.349 2.223 2.462 . 0 0 "[ . 1 . 2]" 1 1641 1 66 ASP H 1 67 GLY HA2 . . 5.100 4.714 4.627 4.787 . 0 0 "[ . 1 . 2]" 1 1642 1 66 ASP H 1 67 GLY QA . . 4.430 4.324 4.243 4.394 . 0 0 "[ . 1 . 2]" 1 1643 1 66 ASP H 1 67 GLY HA3 . . 5.100 5.028 4.932 5.114 0.014 12 0 "[ . 1 . 2]" 1 1644 1 66 ASP H 1 68 THR H . . 3.600 3.553 3.461 3.607 0.007 11 0 "[ . 1 . 2]" 1 1645 1 66 ASP H 1 68 THR MG . . 5.030 5.010 4.937 5.037 0.007 9 0 "[ . 1 . 2]" 1 1646 1 66 ASP QB 1 68 THR H . . 4.660 4.141 3.934 4.696 0.036 13 0 "[ . 1 . 2]" 1 1647 1 66 ASP HB2 1 67 GLY H . . 4.910 3.107 2.569 3.838 . 0 0 "[ . 1 . 2]" 1 1648 1 66 ASP HB2 1 68 THR H . . 5.500 4.644 4.065 5.517 0.017 13 0 "[ . 1 . 2]" 1 1649 1 66 ASP HB3 1 67 GLY H . . 4.910 3.334 2.532 3.931 . 0 0 "[ . 1 . 2]" 1 1650 1 66 ASP HB3 1 68 THR H . . 5.500 4.956 4.053 5.522 0.022 12 0 "[ . 1 . 2]" 1 1651 1 67 GLY H 1 68 THR H . . 3.000 1.807 1.761 1.854 . 0 0 "[ . 1 . 2]" 1 1652 1 67 GLY H 1 68 THR HA . . 5.050 4.462 4.430 4.484 . 0 0 "[ . 1 . 2]" 1 1653 1 67 GLY H 1 68 THR HB . . 5.500 5.246 5.213 5.284 . 0 0 "[ . 1 . 2]" 1 1654 1 67 GLY H 1 68 THR MG . . 4.620 3.420 3.358 3.558 . 0 0 "[ . 1 . 2]" 1 1655 1 67 GLY QA 1 68 THR MG . . 4.380 3.353 3.315 3.405 . 0 0 "[ . 1 . 2]" 1 1656 1 67 GLY HA2 1 68 THR MG . . 4.990 4.195 4.151 4.254 . 0 0 "[ . 1 . 2]" 1 1657 1 67 GLY HA3 1 68 THR MG . . 4.990 3.526 3.484 3.583 . 0 0 "[ . 1 . 2]" 1 1658 1 68 THR H 1 68 THR HB . . 4.040 3.949 3.920 3.967 . 0 0 "[ . 1 . 2]" 1 1659 1 68 THR H 1 68 THR MG . . 3.360 3.083 3.030 3.150 . 0 0 "[ . 1 . 2]" 1 1660 1 68 THR H 1 69 HIS H . . 4.560 4.391 4.386 4.401 . 0 0 "[ . 1 . 2]" 1 1661 1 68 THR HA 1 68 THR MG . . 3.280 2.329 2.299 2.347 . 0 0 "[ . 1 . 2]" 1 1662 1 68 THR HA 1 69 HIS H . . 2.830 2.556 2.533 2.563 . 0 0 "[ . 1 . 2]" 1 1663 1 68 THR HA 1 69 HIS HA . . 5.240 4.531 4.517 4.541 . 0 0 "[ . 1 . 2]" 1 1664 1 68 THR HA 1 69 HIS HB2 . . 5.500 4.629 4.568 4.680 . 0 0 "[ . 1 . 2]" 1 1665 1 68 THR HA 1 69 HIS HD2 . . 4.090 2.449 2.266 2.699 . 0 0 "[ . 1 . 2]" 1 1666 1 68 THR HB 1 69 HIS H . . 3.130 2.105 2.095 2.137 . 0 0 "[ . 1 . 2]" 1 1667 1 68 THR HB 1 69 HIS HA . . 5.140 4.386 4.358 4.413 . 0 0 "[ . 1 . 2]" 1 1668 1 68 THR HB 1 69 HIS HD2 . . 5.210 4.236 4.047 4.493 . 0 0 "[ . 1 . 2]" 1 1669 1 68 THR MG 1 69 HIS H . . 3.630 3.638 3.624 3.647 0.017 7 0 "[ . 1 . 2]" 1 1670 1 69 HIS H 1 69 HIS HB2 . . 3.550 2.917 2.866 2.956 . 0 0 "[ . 1 . 2]" 1 1671 1 69 HIS H 1 69 HIS HB3 . . 3.920 3.927 3.904 3.941 0.021 8 0 "[ . 1 . 2]" 1 1672 1 69 HIS H 1 69 HIS HD2 . . 3.560 2.893 2.754 3.110 . 0 0 "[ . 1 . 2]" 1 1673 1 69 HIS H 1 70 THR H . . 4.600 4.204 4.142 4.265 . 0 0 "[ . 1 . 2]" 1 1674 1 69 HIS HA 1 69 HIS HD2 . . 5.080 3.925 3.778 4.054 . 0 0 "[ . 1 . 2]" 1 1675 1 69 HIS HA 1 70 THR H . . 2.740 2.156 2.143 2.173 . 0 0 "[ . 1 . 2]" 1 1676 1 69 HIS HA 1 70 THR HA . . 4.730 4.372 4.367 4.379 . 0 0 "[ . 1 . 2]" 1 1677 1 69 HIS HA 1 70 THR HB . . 4.700 4.542 4.414 4.608 . 0 0 "[ . 1 . 2]" 1 1678 1 69 HIS HB2 1 70 THR H . . 4.280 4.106 4.029 4.173 . 0 0 "[ . 1 . 2]" 1 1679 1 69 HIS HB2 1 70 THR HA . . 5.500 4.952 4.877 5.011 . 0 0 "[ . 1 . 2]" 1 1680 1 69 HIS HB2 1 71 VAL MG2 . . 4.290 3.693 3.600 3.787 . 0 0 "[ . 1 . 2]" 1 1681 1 69 HIS HB3 1 70 THR H . . 3.600 3.271 3.155 3.397 . 0 0 "[ . 1 . 2]" 1 1682 1 69 HIS HB3 1 70 THR HA . . 5.500 4.984 4.888 5.074 . 0 0 "[ . 1 . 2]" 1 1683 1 69 HIS HB3 1 71 VAL MG2 . . 4.430 3.834 3.668 3.934 . 0 0 "[ . 1 . 2]" 1 1684 1 70 THR H 1 70 THR HB . . 3.080 2.432 2.351 2.487 . 0 0 "[ . 1 . 2]" 1 1685 1 70 THR H 1 70 THR MG . . 3.850 3.756 3.694 3.782 . 0 0 "[ . 1 . 2]" 1 1686 1 70 THR H 1 71 VAL H . . 4.620 4.556 4.505 4.580 . 0 0 "[ . 1 . 2]" 1 1687 1 70 THR HA 1 70 THR MG . . 3.100 2.483 2.446 2.503 . 0 0 "[ . 1 . 2]" 1 1688 1 70 THR HA 1 71 VAL H . . 2.910 2.198 2.169 2.220 . 0 0 "[ . 1 . 2]" 1 1689 1 70 THR HA 1 71 VAL HB . . 4.700 4.597 4.536 4.656 . 0 0 "[ . 1 . 2]" 1 1690 1 70 THR HB 1 71 VAL H . . 4.380 4.096 4.029 4.197 . 0 0 "[ . 1 . 2]" 1 1691 1 70 THR MG 1 71 VAL H . . 3.230 2.361 2.198 2.548 . 0 0 "[ . 1 . 2]" 1 1692 1 70 THR MG 1 71 VAL HA . . 3.470 3.339 3.274 3.416 . 0 0 "[ . 1 . 2]" 1 1693 1 70 THR MG 1 72 THR H . . 3.640 3.346 3.163 3.556 . 0 0 "[ . 1 . 2]" 1 1694 1 71 VAL H 1 71 VAL HB . . 3.220 2.753 2.707 2.801 . 0 0 "[ . 1 . 2]" 1 1695 1 71 VAL H 1 71 VAL MG1 . . 4.330 3.896 3.876 3.921 . 0 0 "[ . 1 . 2]" 1 1696 1 71 VAL H 1 71 VAL MG2 . . 3.220 2.818 2.701 2.956 . 0 0 "[ . 1 . 2]" 1 1697 1 71 VAL H 1 72 THR H . . 4.150 4.028 3.944 4.129 . 0 0 "[ . 1 . 2]" 1 1698 1 71 VAL HA 1 71 VAL MG1 . . 3.300 2.354 2.240 2.428 . 0 0 "[ . 1 . 2]" 1 1699 1 71 VAL HA 1 71 VAL MG2 . . 3.440 2.383 2.278 2.487 . 0 0 "[ . 1 . 2]" 1 1700 1 71 VAL HA 1 72 THR H . . 2.850 2.162 2.145 2.183 . 0 0 "[ . 1 . 2]" 1 1701 1 71 VAL HA 1 72 THR HA . . 4.800 4.416 4.402 4.428 . 0 0 "[ . 1 . 2]" 1 1702 1 71 VAL HB 1 72 THR H . . 4.440 4.368 4.315 4.421 . 0 0 "[ . 1 . 2]" 1 1703 1 71 VAL HB 1 72 THR HA . . 5.310 4.906 4.826 4.972 . 0 0 "[ . 1 . 2]" 1 1704 1 71 VAL MG1 1 72 THR H . . 3.200 2.979 2.806 3.208 0.008 6 0 "[ . 1 . 2]" 1 1705 1 71 VAL MG1 1 72 THR HA . . 4.430 3.984 3.836 4.170 . 0 0 "[ . 1 . 2]" 1 1706 1 71 VAL MG1 1 73 TYR H . . 4.960 4.701 4.498 4.903 . 0 0 "[ . 1 . 2]" 1 1707 1 71 VAL MG1 1 73 TYR HB3 . . 4.970 3.301 3.118 3.446 . 0 0 "[ . 1 . 2]" 1 1708 1 71 VAL MG1 1 73 TYR QD . . 3.730 3.407 2.989 3.668 . 0 0 "[ . 1 . 2]" 1 1709 1 72 THR H 1 72 THR HB . . 4.020 3.672 3.646 3.710 . 0 0 "[ . 1 . 2]" 1 1710 1 72 THR H 1 72 THR MG . . 3.610 2.662 2.524 2.809 . 0 0 "[ . 1 . 2]" 1 1711 1 72 THR H 1 73 TYR H . . 4.560 4.544 4.516 4.569 0.009 3 0 "[ . 1 . 2]" 1 1712 1 72 THR HA 1 72 THR MG . . 3.130 2.289 2.184 2.369 . 0 0 "[ . 1 . 2]" 1 1713 1 72 THR HA 1 73 TYR H . . 2.660 2.220 2.180 2.254 . 0 0 "[ . 1 . 2]" 1 1714 1 72 THR HA 1 73 TYR HA . . 5.170 4.466 4.436 4.491 . 0 0 "[ . 1 . 2]" 1 1715 1 72 THR HA 1 73 TYR QD . . 4.390 3.741 3.543 3.946 . 0 0 "[ . 1 . 2]" 1 1716 1 72 THR HB 1 73 TYR H . . 3.160 2.913 2.789 3.091 . 0 0 "[ . 1 . 2]" 1 1717 1 72 THR MG 1 73 TYR H . . 3.810 3.776 3.709 3.852 0.042 18 0 "[ . 1 . 2]" 1 1718 1 73 TYR H 1 73 TYR QD . . 3.510 3.097 2.879 3.248 . 0 0 "[ . 1 . 2]" 1 1719 1 73 TYR H 1 73 TYR QE . . 5.090 4.758 4.569 4.891 . 0 0 "[ . 1 . 2]" 1 1720 1 73 TYR H 1 74 THR H . . 4.650 4.369 4.346 4.383 . 0 0 "[ . 1 . 2]" 1 1721 1 73 TYR HA 1 73 TYR QD . . 3.910 3.682 3.644 3.718 . 0 0 "[ . 1 . 2]" 1 1722 1 73 TYR HA 1 74 THR H . . 3.030 2.484 2.373 2.637 . 0 0 "[ . 1 . 2]" 1 1723 1 73 TYR HB2 1 74 THR H . . 3.500 2.453 2.186 2.682 . 0 0 "[ . 1 . 2]" 1 1724 1 73 TYR HB3 1 74 THR H . . 4.030 3.853 3.660 4.009 . 0 0 "[ . 1 . 2]" 1 1725 1 73 TYR HB3 1 83 VAL MG2 . . 5.500 5.360 5.115 5.503 0.003 18 0 "[ . 1 . 2]" 1 1726 1 73 TYR QD 1 73 TYR HH . . 4.510 4.266 4.242 4.317 . 0 0 "[ . 1 . 2]" 1 1727 1 73 TYR QD 1 74 THR H . . 4.000 2.426 2.189 2.682 . 0 0 "[ . 1 . 2]" 1 1728 1 73 TYR QD 1 74 THR HA . . 4.300 3.340 3.183 3.546 . 0 0 "[ . 1 . 2]" 1 1729 1 73 TYR QD 1 75 PRO HA . . 4.500 3.645 3.603 3.670 . 0 0 "[ . 1 . 2]" 1 1730 1 73 TYR QD 1 75 PRO HB3 . . 4.410 4.127 3.943 4.259 . 0 0 "[ . 1 . 2]" 1 1731 1 73 TYR QD 1 75 PRO HD2 . . 4.510 4.196 4.067 4.309 . 0 0 "[ . 1 . 2]" 1 1732 1 73 TYR QD 1 75 PRO HD3 . . 3.960 2.924 2.688 3.058 . 0 0 "[ . 1 . 2]" 1 1733 1 73 TYR QD 1 75 PRO HG3 . . 4.930 4.822 4.575 4.938 0.008 5 0 "[ . 1 . 2]" 1 1734 1 73 TYR QE 1 73 TYR HH . . 3.030 2.284 2.196 2.486 . 0 0 "[ . 1 . 2]" 1 1735 1 73 TYR QE 1 75 PRO HB2 . . 4.190 4.177 4.126 4.194 0.004 12 0 "[ . 1 . 2]" 1 1736 1 73 TYR QE 1 75 PRO HB3 . . 3.630 2.546 2.488 2.594 . 0 0 "[ . 1 . 2]" 1 1737 1 73 TYR QE 1 75 PRO HD2 . . 4.240 3.802 3.709 3.979 . 0 0 "[ . 1 . 2]" 1 1738 1 73 TYR QE 1 75 PRO HD3 . . 3.870 2.095 1.997 2.291 . 0 0 "[ . 1 . 2]" 1 1739 1 73 TYR QE 1 75 PRO HG2 . . 4.500 4.288 4.182 4.433 . 0 0 "[ . 1 . 2]" 1 1740 1 73 TYR QE 1 75 PRO HG3 . . 3.610 3.055 2.831 3.242 . 0 0 "[ . 1 . 2]" 1 1741 1 73 TYR QE 1 83 VAL MG2 . . 4.560 3.826 3.503 4.100 . 0 0 "[ . 1 . 2]" 1 1742 1 73 TYR QE 1 99 VAL MG2 . . 5.040 4.597 4.288 4.877 . 0 0 "[ . 1 . 2]" 1 1743 1 73 TYR QE 1 101 VAL MG2 . . 4.360 3.594 3.337 3.752 . 0 0 "[ . 1 . 2]" 1 1744 1 73 TYR HH 1 83 VAL MG2 . . 4.600 3.683 3.306 4.346 . 0 0 "[ . 1 . 2]" 1 1745 1 74 THR H 1 74 THR HB . . 3.290 2.906 2.771 2.980 . 0 0 "[ . 1 . 2]" 1 1746 1 74 THR H 1 74 THR HG1 . . 4.280 3.803 3.186 4.240 . 0 0 "[ . 1 . 2]" 1 1747 1 74 THR H 1 74 THR MG . . 3.960 3.947 3.882 3.977 0.017 6 0 "[ . 1 . 2]" 1 1748 1 74 THR H 1 75 PRO HD2 . . 4.670 4.584 4.501 4.665 . 0 0 "[ . 1 . 2]" 1 1749 1 74 THR H 1 75 PRO HD3 . . 4.810 4.147 3.992 4.308 . 0 0 "[ . 1 . 2]" 1 1750 1 74 THR HA 1 74 THR MG . . 3.150 2.401 2.268 2.476 . 0 0 "[ . 1 . 2]" 1 1751 1 74 THR HA 1 75 PRO HD2 . . 3.430 1.949 1.931 1.965 . 0 0 "[ . 1 . 2]" 1 1752 1 74 THR HA 1 75 PRO HD3 . . 3.580 2.365 2.340 2.401 . 0 0 "[ . 1 . 2]" 1 1753 1 74 THR HA 1 75 PRO HG2 . . 4.810 4.153 4.137 4.166 . 0 0 "[ . 1 . 2]" 1 1754 1 74 THR HA 1 75 PRO HG3 . . 4.570 4.327 4.320 4.338 . 0 0 "[ . 1 . 2]" 1 1755 1 74 THR HB 1 75 PRO HD2 . . 4.570 4.411 4.306 4.479 . 0 0 "[ . 1 . 2]" 1 1756 1 74 THR HB 1 75 PRO HD3 . . 5.380 5.082 5.036 5.107 . 0 0 "[ . 1 . 2]" 1 1757 1 74 THR MG 1 75 PRO HD2 . . 3.410 2.497 2.153 2.702 . 0 0 "[ . 1 . 2]" 1 1758 1 74 THR MG 1 75 PRO HD3 . . 4.550 3.753 3.547 3.873 . 0 0 "[ . 1 . 2]" 1 1759 1 74 THR MG 1 75 PRO HG2 . . 4.300 3.654 3.467 3.799 . 0 0 "[ . 1 . 2]" 1 1760 1 74 THR MG 1 76 SER H . . 5.300 3.926 3.642 4.244 . 0 0 "[ . 1 . 2]" 1 1761 1 74 THR MG 1 76 SER HA . . 4.300 3.567 3.356 3.811 . 0 0 "[ . 1 . 2]" 1 1762 1 75 PRO HA 1 76 SER H . . 2.950 2.278 2.230 2.319 . 0 0 "[ . 1 . 2]" 1 1763 1 75 PRO HA 1 76 SER HA . . 4.620 4.546 4.509 4.575 . 0 0 "[ . 1 . 2]" 1 1764 1 75 PRO HA 1 77 GLN H . . 4.350 3.920 3.364 4.124 . 0 0 "[ . 1 . 2]" 1 1765 1 75 PRO HA 1 81 TYR QE . . 4.130 2.895 2.230 3.383 . 0 0 "[ . 1 . 2]" 1 1766 1 75 PRO HA 1 101 VAL MG1 . . 4.700 4.580 4.435 4.702 0.002 19 0 "[ . 1 . 2]" 1 1767 1 75 PRO HA 1 101 VAL MG2 . . 4.630 4.115 3.944 4.338 . 0 0 "[ . 1 . 2]" 1 1768 1 75 PRO HB2 1 77 GLN H . . 4.070 3.810 3.041 4.056 . 0 0 "[ . 1 . 2]" 1 1769 1 75 PRO HB2 1 77 GLN HG2 . . 5.500 5.279 5.077 5.479 . 0 0 "[ . 1 . 2]" 1 1770 1 75 PRO HB2 1 81 TYR QE . . 4.590 3.999 3.648 4.338 . 0 0 "[ . 1 . 2]" 1 1771 1 75 PRO HB2 1 101 VAL HB . . 4.330 3.934 3.767 4.238 . 0 0 "[ . 1 . 2]" 1 1772 1 75 PRO HB2 1 101 VAL MG1 . . 3.380 2.140 1.985 2.323 . 0 0 "[ . 1 . 2]" 1 1773 1 75 PRO HB2 1 101 VAL MG2 . . 3.620 2.590 2.301 2.780 . 0 0 "[ . 1 . 2]" 1 1774 1 75 PRO HB3 1 76 SER H . . 4.650 4.426 4.360 4.474 . 0 0 "[ . 1 . 2]" 1 1775 1 75 PRO HB3 1 77 GLN H . . 5.350 4.964 4.259 5.180 . 0 0 "[ . 1 . 2]" 1 1776 1 75 PRO HB3 1 81 TYR QE . . 4.400 3.680 3.163 4.215 . 0 0 "[ . 1 . 2]" 1 1777 1 75 PRO HB3 1 101 VAL MG1 . . 3.680 3.128 3.000 3.321 . 0 0 "[ . 1 . 2]" 1 1778 1 75 PRO HB3 1 101 VAL MG2 . . 3.930 2.302 2.104 2.404 . 0 0 "[ . 1 . 2]" 1 1779 1 75 PRO HD3 1 101 VAL MG1 . . 5.500 4.547 4.391 4.669 . 0 0 "[ . 1 . 2]" 1 1780 1 75 PRO HG2 1 101 VAL MG1 . . 3.510 2.706 2.546 2.939 . 0 0 "[ . 1 . 2]" 1 1781 1 75 PRO HG2 1 101 VAL MG2 . . 4.390 3.606 3.298 3.833 . 0 0 "[ . 1 . 2]" 1 1782 1 75 PRO HG3 1 101 VAL MG1 . . 3.640 2.643 2.406 2.787 . 0 0 "[ . 1 . 2]" 1 1783 1 75 PRO HG3 1 101 VAL MG2 . . 4.060 2.582 2.266 2.877 . 0 0 "[ . 1 . 2]" 1 1784 1 76 SER H 1 76 SER HB2 . . 3.820 2.622 2.211 3.623 . 0 0 "[ . 1 . 2]" 1 1785 1 76 SER H 1 76 SER HB3 . . 3.820 2.928 2.336 3.627 . 0 0 "[ . 1 . 2]" 1 1786 1 76 SER H 1 77 GLN H . . 3.290 3.131 2.894 3.215 . 0 0 "[ . 1 . 2]" 1 1787 1 76 SER H 1 81 TYR QE . . 4.180 3.885 3.428 4.168 . 0 0 "[ . 1 . 2]" 1 1788 1 76 SER QB 1 77 GLN H . . 4.000 2.450 2.129 3.574 . 0 0 "[ . 1 . 2]" 1 1789 1 76 SER QB 1 77 GLN HA . . 5.330 4.380 4.106 4.826 . 0 0 "[ . 1 . 2]" 1 1790 1 76 SER QB 1 77 GLN HG2 . . 5.340 3.350 2.904 4.536 . 0 0 "[ . 1 . 2]" 1 1791 1 76 SER HB2 1 77 GLN H . . 4.550 3.371 2.357 4.056 . 0 0 "[ . 1 . 2]" 1 1792 1 76 SER HB3 1 77 GLN H . . 4.550 2.750 2.152 3.969 . 0 0 "[ . 1 . 2]" 1 1793 1 77 GLN H 1 77 GLN HB2 . . 4.000 3.799 3.739 3.950 . 0 0 "[ . 1 . 2]" 1 1794 1 77 GLN H 1 77 GLN QB . . 3.410 2.995 2.860 3.142 . 0 0 "[ . 1 . 2]" 1 1795 1 77 GLN H 1 77 GLN HB3 . . 4.000 3.139 2.956 3.350 . 0 0 "[ . 1 . 2]" 1 1796 1 77 GLN H 1 77 GLN HG2 . . 3.560 2.098 1.900 2.701 . 0 0 "[ . 1 . 2]" 1 1797 1 77 GLN H 1 77 GLN HG3 . . 4.230 3.437 3.206 3.723 . 0 0 "[ . 1 . 2]" 1 1798 1 77 GLN H 1 78 GLU H . . 4.510 4.459 4.384 4.494 . 0 0 "[ . 1 . 2]" 1 1799 1 77 GLN H 1 81 TYR QE . . 3.950 3.784 3.603 3.959 0.009 18 0 "[ . 1 . 2]" 1 1800 1 77 GLN H 1 101 VAL MG1 . . 5.090 4.839 4.585 5.088 . 0 0 "[ . 1 . 2]" 1 1801 1 77 GLN HA 1 77 GLN HG3 . . 4.110 3.878 3.649 3.957 . 0 0 "[ . 1 . 2]" 1 1802 1 77 GLN HA 1 78 GLU H . . 2.970 2.454 2.351 2.647 . 0 0 "[ . 1 . 2]" 1 1803 1 77 GLN HA 1 78 GLU HA . . 5.030 4.329 4.307 4.377 . 0 0 "[ . 1 . 2]" 1 1804 1 77 GLN QB 1 78 GLU H . . 3.290 2.326 1.940 2.544 . 0 0 "[ . 1 . 2]" 1 1805 1 77 GLN QB 1 81 TYR QE . . 5.340 4.416 4.189 4.712 . 0 0 "[ . 1 . 2]" 1 1806 1 77 GLN HB2 1 78 GLU H . . 4.110 2.351 1.951 2.578 . 0 0 "[ . 1 . 2]" 1 1807 1 77 GLN HB3 1 78 GLU H . . 4.110 3.724 3.452 3.907 . 0 0 "[ . 1 . 2]" 1 1808 1 77 GLN HG2 1 78 GLU H . . 4.580 4.376 4.053 4.577 . 0 0 "[ . 1 . 2]" 1 1809 1 77 GLN HG2 1 78 GLU HA . . 5.500 5.306 4.860 5.503 0.003 9 0 "[ . 1 . 2]" 1 1810 1 77 GLN HG2 1 81 TYR QE . . 5.240 3.278 2.695 3.643 . 0 0 "[ . 1 . 2]" 1 1811 1 77 GLN HG3 1 78 GLU H . . 4.010 3.574 3.039 3.914 . 0 0 "[ . 1 . 2]" 1 1812 1 77 GLN HG3 1 78 GLU HA . . 5.320 4.641 3.985 4.961 . 0 0 "[ . 1 . 2]" 1 1813 1 77 GLN HG3 1 81 TYR QE . . 3.860 2.882 2.440 3.431 . 0 0 "[ . 1 . 2]" 1 1814 1 78 GLU H 1 78 GLU HB2 . . 3.840 3.634 3.598 3.699 . 0 0 "[ . 1 . 2]" 1 1815 1 78 GLU H 1 78 GLU HB3 . . 3.280 2.669 2.463 2.811 . 0 0 "[ . 1 . 2]" 1 1816 1 78 GLU H 1 78 GLU QG . . 3.380 2.462 1.991 3.097 . 0 0 "[ . 1 . 2]" 1 1817 1 78 GLU H 1 79 GLY H . . 4.790 4.567 4.530 4.608 . 0 0 "[ . 1 . 2]" 1 1818 1 78 GLU H 1 81 TYR QE . . 5.250 4.794 4.464 5.046 . 0 0 "[ . 1 . 2]" 1 1819 1 78 GLU HA 1 78 GLU QG . . 3.700 3.426 3.337 3.520 . 0 0 "[ . 1 . 2]" 1 1820 1 78 GLU HA 1 79 GLY H . . 2.930 2.492 2.436 2.565 . 0 0 "[ . 1 . 2]" 1 1821 1 78 GLU HA 1 79 GLY HA2 . . 5.010 4.707 4.671 4.755 . 0 0 "[ . 1 . 2]" 1 1822 1 78 GLU HA 1 79 GLY QA . . 4.370 4.040 4.019 4.069 . 0 0 "[ . 1 . 2]" 1 1823 1 78 GLU HA 1 79 GLY HA3 . . 5.010 4.398 4.383 4.421 . 0 0 "[ . 1 . 2]" 1 1824 1 78 GLU HA 1 81 TYR QE . . 4.620 3.952 3.543 4.255 . 0 0 "[ . 1 . 2]" 1 1825 1 78 GLU HA 1 101 VAL H . . 4.660 4.572 4.451 4.664 0.004 17 0 "[ . 1 . 2]" 1 1826 1 78 GLU HA 1 101 VAL HB . . 3.380 2.084 1.998 2.177 . 0 0 "[ . 1 . 2]" 1 1827 1 78 GLU HA 1 101 VAL MG1 . . 3.190 2.008 1.938 2.145 . 0 0 "[ . 1 . 2]" 1 1828 1 78 GLU HA 1 101 VAL MG2 . . 4.130 3.408 3.313 3.490 . 0 0 "[ . 1 . 2]" 1 1829 1 78 GLU HB2 1 79 GLY H . . 3.400 2.289 2.152 2.395 . 0 0 "[ . 1 . 2]" 1 1830 1 78 GLU HB2 1 79 GLY QA . . 4.380 3.852 3.761 3.950 . 0 0 "[ . 1 . 2]" 1 1831 1 78 GLU HB2 1 101 VAL HB . . 4.740 3.422 3.261 3.539 . 0 0 "[ . 1 . 2]" 1 1832 1 78 GLU HB2 1 101 VAL MG1 . . 3.970 2.901 2.695 3.202 . 0 0 "[ . 1 . 2]" 1 1833 1 78 GLU HB2 1 102 LEU HA . . 4.520 2.937 2.753 3.172 . 0 0 "[ . 1 . 2]" 1 1834 1 78 GLU HB2 1 103 PRO HA . . 3.850 3.727 3.565 3.852 0.002 17 0 "[ . 1 . 2]" 1 1835 1 78 GLU HB2 1 103 PRO HD2 . . 4.890 4.465 4.263 4.629 . 0 0 "[ . 1 . 2]" 1 1836 1 78 GLU HB2 1 103 PRO HD3 . . 3.240 3.163 2.967 3.244 0.004 18 0 "[ . 1 . 2]" 1 1837 1 78 GLU HB3 1 79 GLY H . . 3.780 3.720 3.637 3.784 0.004 4 0 "[ . 1 . 2]" 1 1838 1 78 GLU HB3 1 101 VAL HB . . 4.810 4.176 4.007 4.249 . 0 0 "[ . 1 . 2]" 1 1839 1 78 GLU HB3 1 103 PRO HA . . 3.510 2.571 2.297 2.731 . 0 0 "[ . 1 . 2]" 1 1840 1 78 GLU HB3 1 103 PRO HD2 . . 5.380 4.975 4.704 5.098 . 0 0 "[ . 1 . 2]" 1 1841 1 78 GLU HB3 1 103 PRO HD3 . . 4.950 3.859 3.678 4.034 . 0 0 "[ . 1 . 2]" 1 1842 1 78 GLU QG 1 79 GLY H . . 3.940 3.508 3.046 3.893 . 0 0 "[ . 1 . 2]" 1 1843 1 78 GLU QG 1 79 GLY QA . . 4.720 3.650 3.162 4.269 . 0 0 "[ . 1 . 2]" 1 1844 1 78 GLU QG 1 103 PRO HA . . 3.660 3.305 2.659 3.660 0.000 14 0 "[ . 1 . 2]" 1 1845 1 79 GLY H 1 80 PRO QD . . 4.440 4.275 4.230 4.312 . 0 0 "[ . 1 . 2]" 1 1846 1 79 GLY H 1 81 TYR QD . . 4.810 4.155 3.977 4.328 . 0 0 "[ . 1 . 2]" 1 1847 1 79 GLY H 1 81 TYR QE . . 4.840 4.466 4.212 4.633 . 0 0 "[ . 1 . 2]" 1 1848 1 79 GLY H 1 101 VAL HB . . 3.110 2.182 1.905 2.389 . 0 0 "[ . 1 . 2]" 1 1849 1 79 GLY H 1 101 VAL MG1 . . 3.740 3.268 3.104 3.454 . 0 0 "[ . 1 . 2]" 1 1850 1 79 GLY H 1 101 VAL MG2 . . 4.020 3.769 3.491 3.966 . 0 0 "[ . 1 . 2]" 1 1851 1 79 GLY H 1 102 LEU HA . . 4.960 3.997 3.839 4.187 . 0 0 "[ . 1 . 2]" 1 1852 1 79 GLY QA 1 80 PRO QG . . 3.810 3.698 3.694 3.700 . 0 0 "[ . 1 . 2]" 1 1853 1 79 GLY QA 1 101 VAL HB . . 5.340 3.904 3.724 4.015 . 0 0 "[ . 1 . 2]" 1 1854 1 79 GLY HA2 1 80 PRO QD . . 3.180 2.289 2.224 2.348 . 0 0 "[ . 1 . 2]" 1 1855 1 79 GLY HA2 1 80 PRO HG2 . . 5.130 4.767 4.689 4.834 . 0 0 "[ . 1 . 2]" 1 1856 1 79 GLY HA2 1 80 PRO HG3 . . 5.130 4.686 4.615 4.749 . 0 0 "[ . 1 . 2]" 1 1857 1 79 GLY HA3 1 80 PRO QD . . 3.180 2.275 2.208 2.355 . 0 0 "[ . 1 . 2]" 1 1858 1 79 GLY HA3 1 80 PRO HG2 . . 5.130 4.385 4.331 4.448 . 0 0 "[ . 1 . 2]" 1 1859 1 79 GLY HA3 1 80 PRO HG3 . . 5.130 4.924 4.853 5.007 . 0 0 "[ . 1 . 2]" 1 1860 1 80 PRO HA 1 81 TYR H . . 2.780 2.325 2.277 2.388 . 0 0 "[ . 1 . 2]" 1 1861 1 80 PRO HA 1 81 TYR HA . . 5.010 4.504 4.465 4.535 . 0 0 "[ . 1 . 2]" 1 1862 1 80 PRO HA 1 81 TYR QD . . 5.030 4.195 4.108 4.290 . 0 0 "[ . 1 . 2]" 1 1863 1 80 PRO HA 1 100 LYS HA . . 3.390 2.154 2.010 2.350 . 0 0 "[ . 1 . 2]" 1 1864 1 80 PRO HA 1 100 LYS HB2 . . 4.870 3.443 3.126 3.731 . 0 0 "[ . 1 . 2]" 1 1865 1 80 PRO HA 1 100 LYS HB3 . . 4.870 4.687 4.458 4.870 . 0 0 "[ . 1 . 2]" 1 1866 1 80 PRO HA 1 101 VAL H . . 4.010 3.496 3.242 3.723 . 0 0 "[ . 1 . 2]" 1 1867 1 80 PRO QB 1 81 TYR H . . 3.880 3.835 3.786 3.891 0.011 11 0 "[ . 1 . 2]" 1 1868 1 80 PRO HB2 1 81 TYR H . . 4.520 4.171 4.113 4.236 . 0 0 "[ . 1 . 2]" 1 1869 1 80 PRO HB3 1 81 TYR H . . 4.520 4.477 4.428 4.533 0.013 11 0 "[ . 1 . 2]" 1 1870 1 80 PRO QD 1 81 TYR H . . 5.020 4.594 4.498 4.666 . 0 0 "[ . 1 . 2]" 1 1871 1 81 TYR H 1 81 TYR HB2 . . 3.240 2.195 2.172 2.239 . 0 0 "[ . 1 . 2]" 1 1872 1 81 TYR H 1 81 TYR HB3 . . 3.560 3.483 3.474 3.496 . 0 0 "[ . 1 . 2]" 1 1873 1 81 TYR H 1 81 TYR QD . . 3.730 2.661 2.585 2.811 . 0 0 "[ . 1 . 2]" 1 1874 1 81 TYR H 1 82 MET H . . 4.680 4.570 4.537 4.603 . 0 0 "[ . 1 . 2]" 1 1875 1 81 TYR H 1 99 VAL H . . 4.510 4.144 3.681 4.367 . 0 0 "[ . 1 . 2]" 1 1876 1 81 TYR H 1 99 VAL HB . . 4.520 4.282 3.683 4.519 . 0 0 "[ . 1 . 2]" 1 1877 1 81 TYR H 1 99 VAL MG1 . . 4.500 4.267 3.820 4.418 . 0 0 "[ . 1 . 2]" 1 1878 1 81 TYR H 1 100 LYS HA . . 3.730 2.621 2.360 3.035 . 0 0 "[ . 1 . 2]" 1 1879 1 81 TYR H 1 101 VAL H . . 4.260 2.711 2.597 2.930 . 0 0 "[ . 1 . 2]" 1 1880 1 81 TYR H 1 101 VAL HB . . 5.280 4.454 4.304 4.698 . 0 0 "[ . 1 . 2]" 1 1881 1 81 TYR H 1 101 VAL MG2 . . 4.090 3.187 2.898 3.361 . 0 0 "[ . 1 . 2]" 1 1882 1 81 TYR HA 1 81 TYR QD . . 4.490 2.754 2.575 2.902 . 0 0 "[ . 1 . 2]" 1 1883 1 81 TYR HA 1 81 TYR QE . . 4.930 4.418 4.355 4.473 . 0 0 "[ . 1 . 2]" 1 1884 1 81 TYR HA 1 82 MET H . . 3.180 2.461 2.254 2.519 . 0 0 "[ . 1 . 2]" 1 1885 1 81 TYR HA 1 82 MET HA . . 4.800 4.497 4.399 4.539 . 0 0 "[ . 1 . 2]" 1 1886 1 81 TYR HA 1 82 MET HB2 . . 4.940 4.266 4.155 4.574 . 0 0 "[ . 1 . 2]" 1 1887 1 81 TYR HA 1 82 MET HB3 . . 5.160 4.549 4.368 4.661 . 0 0 "[ . 1 . 2]" 1 1888 1 81 TYR HB2 1 82 MET H . . 4.220 3.797 3.694 4.157 . 0 0 "[ . 1 . 2]" 1 1889 1 81 TYR HB2 1 83 VAL MG2 . . 4.810 4.492 4.284 4.727 . 0 0 "[ . 1 . 2]" 1 1890 1 81 TYR HB2 1 99 VAL H . . 4.400 4.246 4.040 4.407 0.007 16 0 "[ . 1 . 2]" 1 1891 1 81 TYR HB2 1 99 VAL HB . . 3.590 3.153 2.663 3.364 . 0 0 "[ . 1 . 2]" 1 1892 1 81 TYR HB2 1 99 VAL MG1 . . 3.860 3.329 2.858 3.532 . 0 0 "[ . 1 . 2]" 1 1893 1 81 TYR HB2 1 101 VAL H . . 5.110 3.343 3.087 3.755 . 0 0 "[ . 1 . 2]" 1 1894 1 81 TYR HB2 1 101 VAL MG2 . . 3.750 2.304 2.107 2.465 . 0 0 "[ . 1 . 2]" 1 1895 1 81 TYR HB3 1 82 MET H . . 3.860 2.379 2.235 2.931 . 0 0 "[ . 1 . 2]" 1 1896 1 81 TYR HB3 1 83 VAL MG2 . . 4.260 3.445 3.249 3.619 . 0 0 "[ . 1 . 2]" 1 1897 1 81 TYR HB3 1 99 VAL H . . 4.440 4.372 4.215 4.453 0.013 11 0 "[ . 1 . 2]" 1 1898 1 81 TYR HB3 1 99 VAL HB . . 4.040 3.338 3.036 3.499 . 0 0 "[ . 1 . 2]" 1 1899 1 81 TYR HB3 1 99 VAL MG1 . . 4.190 4.051 3.749 4.192 0.002 6 0 "[ . 1 . 2]" 1 1900 1 81 TYR HB3 1 101 VAL H . . 5.500 5.099 4.846 5.505 0.005 17 0 "[ . 1 . 2]" 1 1901 1 81 TYR HB3 1 101 VAL MG2 . . 4.130 3.515 3.365 3.715 . 0 0 "[ . 1 . 2]" 1 1902 1 81 TYR QD 1 82 MET H . . 4.710 3.546 3.329 3.954 . 0 0 "[ . 1 . 2]" 1 1903 1 81 TYR QD 1 99 VAL MG1 . . 5.180 4.694 4.363 4.875 . 0 0 "[ . 1 . 2]" 1 1904 1 81 TYR QD 1 101 VAL H . . 4.310 3.595 3.266 3.879 . 0 0 "[ . 1 . 2]" 1 1905 1 81 TYR QD 1 101 VAL HB . . 4.260 3.546 3.207 3.788 . 0 0 "[ . 1 . 2]" 1 1906 1 81 TYR QD 1 101 VAL MG1 . . 5.500 4.532 4.331 4.733 . 0 0 "[ . 1 . 2]" 1 1907 1 81 TYR QD 1 101 VAL MG2 . . 3.570 2.743 2.344 3.047 . 0 0 "[ . 1 . 2]" 1 1908 1 81 TYR QE 1 101 VAL HB . . 4.500 4.015 3.668 4.342 . 0 0 "[ . 1 . 2]" 1 1909 1 81 TYR QE 1 101 VAL MG1 . . 4.730 4.412 4.114 4.732 0.002 11 0 "[ . 1 . 2]" 1 1910 1 81 TYR QE 1 101 VAL MG2 . . 4.010 3.494 3.148 3.828 . 0 0 "[ . 1 . 2]" 1 1911 1 82 MET H 1 82 MET HB3 . . 3.740 2.835 2.507 2.924 . 0 0 "[ . 1 . 2]" 1 1912 1 82 MET H 1 82 MET HG2 . . 4.830 4.612 4.450 4.702 . 0 0 "[ . 1 . 2]" 1 1913 1 82 MET H 1 82 MET QG . . 4.240 4.144 4.088 4.199 . 0 0 "[ . 1 . 2]" 1 1914 1 82 MET H 1 82 MET HG3 . . 4.830 4.697 4.635 4.858 0.028 14 0 "[ . 1 . 2]" 1 1915 1 82 MET H 1 83 VAL H . . 4.490 4.108 4.017 4.365 . 0 0 "[ . 1 . 2]" 1 1916 1 82 MET H 1 83 VAL MG2 . . 5.500 3.823 3.627 4.193 . 0 0 "[ . 1 . 2]" 1 1917 1 82 MET HA 1 82 MET HG2 . . 4.090 3.235 2.578 3.397 . 0 0 "[ . 1 . 2]" 1 1918 1 82 MET HA 1 82 MET QG . . 3.550 2.364 2.274 2.569 . 0 0 "[ . 1 . 2]" 1 1919 1 82 MET HA 1 82 MET HG3 . . 4.090 2.530 2.318 3.720 . 0 0 "[ . 1 . 2]" 1 1920 1 82 MET HA 1 83 VAL H . . 2.690 2.144 2.140 2.161 . 0 0 "[ . 1 . 2]" 1 1921 1 82 MET HA 1 83 VAL HA . . 4.950 4.396 4.392 4.402 . 0 0 "[ . 1 . 2]" 1 1922 1 82 MET HA 1 83 VAL HB . . 4.630 4.598 4.543 4.635 0.005 15 0 "[ . 1 . 2]" 1 1923 1 82 MET HA 1 83 VAL MG2 . . 4.120 3.789 3.658 3.940 . 0 0 "[ . 1 . 2]" 1 1924 1 82 MET HA 1 97 PHE HB2 . . 5.390 4.908 4.817 4.953 . 0 0 "[ . 1 . 2]" 1 1925 1 82 MET HA 1 97 PHE HB3 . . 5.500 5.476 5.359 5.506 0.006 10 0 "[ . 1 . 2]" 1 1926 1 82 MET HA 1 98 LYS H . . 5.180 5.111 5.011 5.184 0.004 13 0 "[ . 1 . 2]" 1 1927 1 82 MET HA 1 98 LYS HA . . 3.530 2.958 2.851 3.057 . 0 0 "[ . 1 . 2]" 1 1928 1 82 MET HA 1 99 VAL H . . 3.840 2.902 2.616 3.250 . 0 0 "[ . 1 . 2]" 1 1929 1 82 MET HA 1 99 VAL MG2 . . 4.690 4.111 3.679 4.448 . 0 0 "[ . 1 . 2]" 1 1930 1 82 MET HB2 1 82 MET ME . . 4.500 3.466 3.105 3.867 . 0 0 "[ . 1 . 2]" 1 1931 1 82 MET HB2 1 83 VAL H . . 4.550 4.341 4.087 4.446 . 0 0 "[ . 1 . 2]" 1 1932 1 82 MET HB3 1 83 VAL H . . 4.280 4.269 4.217 4.291 0.011 10 0 "[ . 1 . 2]" 1 1933 1 82 MET ME 1 84 SER H . . 4.870 4.482 3.624 4.866 . 0 0 "[ . 1 . 2]" 1 1934 1 82 MET ME 1 84 SER HB2 . . 5.100 3.524 2.400 5.032 . 0 0 "[ . 1 . 2]" 1 1935 1 82 MET ME 1 84 SER HB3 . . 5.100 4.395 3.125 4.978 . 0 0 "[ . 1 . 2]" 1 1936 1 82 MET ME 1 96 PRO HB2 . . 3.740 3.394 2.975 3.653 . 0 0 "[ . 1 . 2]" 1 1937 1 82 MET ME 1 96 PRO QG . . 4.680 2.827 2.206 3.347 . 0 0 "[ . 1 . 2]" 1 1938 1 82 MET QG 1 83 VAL H . . 4.110 2.950 2.692 3.119 . 0 0 "[ . 1 . 2]" 1 1939 1 82 MET QG 1 84 SER HA . . 4.570 4.104 3.954 4.265 . 0 0 "[ . 1 . 2]" 1 1940 1 82 MET QG 1 96 PRO HB3 . . 4.230 3.038 2.905 3.198 . 0 0 "[ . 1 . 2]" 1 1941 1 82 MET QG 1 98 LYS HA . . 4.580 3.603 3.165 4.076 . 0 0 "[ . 1 . 2]" 1 1942 1 82 MET HG2 1 83 VAL H . . 4.750 3.586 2.717 3.855 . 0 0 "[ . 1 . 2]" 1 1943 1 82 MET HG2 1 84 SER HA . . 5.290 4.362 4.206 4.563 . 0 0 "[ . 1 . 2]" 1 1944 1 82 MET HG2 1 96 PRO HB2 . . 4.090 2.645 2.066 2.931 . 0 0 "[ . 1 . 2]" 1 1945 1 82 MET HG2 1 96 PRO HB3 . . 4.960 3.232 3.043 3.357 . 0 0 "[ . 1 . 2]" 1 1946 1 82 MET HG2 1 97 PHE H . . 5.320 3.792 3.011 4.058 . 0 0 "[ . 1 . 2]" 1 1947 1 82 MET HG2 1 98 LYS HA . . 5.360 5.177 4.148 5.366 0.006 5 0 "[ . 1 . 2]" 1 1948 1 82 MET HG3 1 83 VAL H . . 4.750 3.274 2.912 4.445 . 0 0 "[ . 1 . 2]" 1 1949 1 82 MET HG3 1 84 SER HA . . 5.290 5.006 4.807 5.307 0.017 11 0 "[ . 1 . 2]" 1 1950 1 82 MET HG3 1 96 PRO HB2 . . 4.090 2.404 2.181 2.815 . 0 0 "[ . 1 . 2]" 1 1951 1 82 MET HG3 1 96 PRO HB3 . . 4.960 3.712 3.502 4.020 . 0 0 "[ . 1 . 2]" 1 1952 1 82 MET HG3 1 97 PHE H . . 5.320 3.470 3.041 4.624 . 0 0 "[ . 1 . 2]" 1 1953 1 82 MET HG3 1 98 LYS HA . . 5.360 3.781 3.203 5.312 . 0 0 "[ . 1 . 2]" 1 1954 1 83 VAL H 1 83 VAL HB . . 3.180 2.542 2.494 2.599 . 0 0 "[ . 1 . 2]" 1 1955 1 83 VAL H 1 83 VAL MG1 . . 3.840 3.808 3.778 3.833 . 0 0 "[ . 1 . 2]" 1 1956 1 83 VAL H 1 83 VAL MG2 . . 3.240 2.716 2.553 2.863 . 0 0 "[ . 1 . 2]" 1 1957 1 83 VAL H 1 96 PRO HB2 . . 4.430 4.229 3.991 4.405 . 0 0 "[ . 1 . 2]" 1 1958 1 83 VAL H 1 97 PHE HA . . 4.840 4.691 4.509 4.753 . 0 0 "[ . 1 . 2]" 1 1959 1 83 VAL H 1 97 PHE HB2 . . 4.010 3.063 2.932 3.111 . 0 0 "[ . 1 . 2]" 1 1960 1 83 VAL H 1 97 PHE HB3 . . 4.400 4.064 3.960 4.140 . 0 0 "[ . 1 . 2]" 1 1961 1 83 VAL H 1 97 PHE QD . . 4.940 4.700 4.572 4.772 . 0 0 "[ . 1 . 2]" 1 1962 1 83 VAL H 1 98 LYS HA . . 4.090 3.965 3.816 4.068 . 0 0 "[ . 1 . 2]" 1 1963 1 83 VAL H 1 99 VAL H . . 4.440 3.792 3.438 4.317 . 0 0 "[ . 1 . 2]" 1 1964 1 83 VAL H 1 99 VAL HB . . 4.940 4.209 3.798 4.557 . 0 0 "[ . 1 . 2]" 1 1965 1 83 VAL H 1 99 VAL MG2 . . 4.260 3.376 2.985 3.755 . 0 0 "[ . 1 . 2]" 1 1966 1 83 VAL HA 1 83 VAL MG1 . . 3.350 2.374 2.318 2.442 . 0 0 "[ . 1 . 2]" 1 1967 1 83 VAL HA 1 83 VAL MG2 . . 3.380 2.353 2.229 2.429 . 0 0 "[ . 1 . 2]" 1 1968 1 83 VAL HA 1 84 SER H . . 2.770 2.206 2.190 2.218 . 0 0 "[ . 1 . 2]" 1 1969 1 83 VAL HA 1 84 SER HA . . 4.550 4.454 4.440 4.466 . 0 0 "[ . 1 . 2]" 1 1970 1 83 VAL HB 1 84 SER H . . 5.270 4.459 4.437 4.476 . 0 0 "[ . 1 . 2]" 1 1971 1 83 VAL HB 1 97 PHE H . . 4.110 3.857 3.687 4.033 . 0 0 "[ . 1 . 2]" 1 1972 1 83 VAL HB 1 97 PHE HB2 . . 3.490 2.249 2.067 2.426 . 0 0 "[ . 1 . 2]" 1 1973 1 83 VAL HB 1 97 PHE HB3 . . 3.810 3.445 3.289 3.563 . 0 0 "[ . 1 . 2]" 1 1974 1 83 VAL HB 1 97 PHE QD . . 3.950 3.777 3.586 3.948 . 0 0 "[ . 1 . 2]" 1 1975 1 83 VAL HB 1 99 VAL MG2 . . 3.760 2.990 2.610 3.297 . 0 0 "[ . 1 . 2]" 1 1976 1 83 VAL MG1 1 84 SER H . . 3.250 3.167 3.072 3.231 . 0 0 "[ . 1 . 2]" 1 1977 1 83 VAL MG1 1 84 SER QB . . 4.760 4.485 4.427 4.659 . 0 0 "[ . 1 . 2]" 1 1978 1 83 VAL MG1 1 85 VAL H . . 5.040 4.765 4.583 4.894 . 0 0 "[ . 1 . 2]" 1 1979 1 83 VAL MG1 1 85 VAL MG2 . . 3.060 2.488 2.365 2.623 . 0 0 "[ . 1 . 2]" 1 1980 1 83 VAL MG1 1 97 PHE HB2 . . 4.130 3.261 3.077 3.440 . 0 0 "[ . 1 . 2]" 1 1981 1 83 VAL MG1 1 97 PHE HB3 . . 4.870 4.442 4.288 4.585 . 0 0 "[ . 1 . 2]" 1 1982 1 83 VAL MG1 1 97 PHE QD . . 3.770 3.405 3.139 3.670 . 0 0 "[ . 1 . 2]" 1 1983 1 83 VAL MG2 1 97 PHE HB2 . . 4.170 3.837 3.669 4.010 . 0 0 "[ . 1 . 2]" 1 1984 1 83 VAL MG2 1 97 PHE HB3 . . 4.660 4.477 4.269 4.665 0.005 17 0 "[ . 1 . 2]" 1 1985 1 83 VAL MG2 1 99 VAL H . . 4.780 4.374 3.976 4.767 . 0 0 "[ . 1 . 2]" 1 1986 1 83 VAL MG2 1 99 VAL HB . . 4.090 3.060 2.840 3.256 . 0 0 "[ . 1 . 2]" 1 1987 1 83 VAL MG2 1 99 VAL MG2 . . 3.140 2.262 1.942 2.804 . 0 0 "[ . 1 . 2]" 1 1988 1 84 SER H 1 84 SER HB2 . . 3.620 2.743 2.458 2.910 . 0 0 "[ . 1 . 2]" 1 1989 1 84 SER H 1 84 SER QB . . 2.990 2.331 2.203 2.654 . 0 0 "[ . 1 . 2]" 1 1990 1 84 SER H 1 84 SER HB3 . . 3.620 2.667 2.286 3.625 0.005 17 0 "[ . 1 . 2]" 1 1991 1 84 SER HA 1 85 VAL H . . 2.850 2.229 2.168 2.280 . 0 0 "[ . 1 . 2]" 1 1992 1 84 SER HA 1 85 VAL HB . . 4.740 4.504 4.392 4.582 . 0 0 "[ . 1 . 2]" 1 1993 1 84 SER HA 1 85 VAL MG2 . . 4.590 3.636 3.509 3.817 . 0 0 "[ . 1 . 2]" 1 1994 1 84 SER HA 1 95 SER HA . . 4.620 4.123 3.991 4.216 . 0 0 "[ . 1 . 2]" 1 1995 1 84 SER HA 1 95 SER HB2 . . 4.540 3.454 3.330 3.551 . 0 0 "[ . 1 . 2]" 1 1996 1 84 SER HA 1 95 SER HB3 . . 5.060 4.686 4.614 4.738 . 0 0 "[ . 1 . 2]" 1 1997 1 84 SER HA 1 95 SER HG . . 4.020 3.813 3.678 3.890 . 0 0 "[ . 1 . 2]" 1 1998 1 84 SER HA 1 96 PRO HA . . 3.560 2.097 2.001 2.174 . 0 0 "[ . 1 . 2]" 1 1999 1 84 SER HA 1 96 PRO HB2 . . 4.460 3.509 3.406 3.588 . 0 0 "[ . 1 . 2]" 1 2000 1 84 SER HA 1 96 PRO HB3 . . 4.030 2.782 2.691 2.839 . 0 0 "[ . 1 . 2]" 1 2001 1 84 SER HA 1 97 PHE H . . 3.930 2.947 2.761 3.050 . 0 0 "[ . 1 . 2]" 1 2002 1 84 SER QB 1 85 VAL H . . 3.900 3.410 2.803 3.693 . 0 0 "[ . 1 . 2]" 1 2003 1 84 SER QB 1 96 PRO HA . . 4.300 3.576 3.292 3.848 . 0 0 "[ . 1 . 2]" 1 2004 1 84 SER QB 1 96 PRO HB2 . . 4.250 3.893 3.622 4.257 0.007 2 0 "[ . 1 . 2]" 1 2005 1 84 SER QB 1 96 PRO HB3 . . 3.620 2.645 2.408 2.883 . 0 0 "[ . 1 . 2]" 1 2006 1 84 SER QB 1 97 PHE H . . 4.970 4.404 4.165 4.600 . 0 0 "[ . 1 . 2]" 1 2007 1 84 SER HB2 1 96 PRO HA . . 4.990 3.946 3.530 4.716 . 0 0 "[ . 1 . 2]" 1 2008 1 84 SER HB2 1 96 PRO HB3 . . 4.300 2.923 2.424 4.219 . 0 0 "[ . 1 . 2]" 1 2009 1 84 SER HB3 1 96 PRO HA . . 4.990 4.583 3.366 4.990 . 0 0 "[ . 1 . 2]" 1 2010 1 84 SER HB3 1 96 PRO HB3 . . 4.300 3.995 2.914 4.304 0.004 9 0 "[ . 1 . 2]" 1 2011 1 85 VAL H 1 85 VAL HB . . 3.450 2.791 2.703 2.840 . 0 0 "[ . 1 . 2]" 1 2012 1 85 VAL H 1 85 VAL MG1 . . 4.220 3.894 3.838 3.925 . 0 0 "[ . 1 . 2]" 1 2013 1 85 VAL H 1 85 VAL MG2 . . 3.640 3.051 2.890 3.204 . 0 0 "[ . 1 . 2]" 1 2014 1 85 VAL H 1 86 LYS HA . . 5.500 4.781 4.702 4.860 . 0 0 "[ . 1 . 2]" 1 2015 1 85 VAL H 1 86 LYS HB2 . . 5.340 5.055 4.978 5.169 . 0 0 "[ . 1 . 2]" 1 2016 1 85 VAL H 1 91 GLU QG . . 4.820 4.176 4.072 4.367 . 0 0 "[ . 1 . 2]" 1 2017 1 85 VAL H 1 92 ILE H . . 5.310 5.115 4.987 5.266 . 0 0 "[ . 1 . 2]" 1 2018 1 85 VAL H 1 92 ILE MD . . 4.970 4.135 3.983 4.247 . 0 0 "[ . 1 . 2]" 1 2019 1 85 VAL H 1 92 ILE HG12 . . 4.420 3.982 3.892 4.081 . 0 0 "[ . 1 . 2]" 1 2020 1 85 VAL H 1 92 ILE HG13 . . 5.170 4.848 4.750 4.939 . 0 0 "[ . 1 . 2]" 1 2021 1 85 VAL H 1 95 SER H . . 5.500 5.350 5.213 5.479 . 0 0 "[ . 1 . 2]" 1 2022 1 85 VAL H 1 95 SER HA . . 4.590 4.037 3.856 4.151 . 0 0 "[ . 1 . 2]" 1 2023 1 85 VAL H 1 95 SER HB2 . . 3.780 2.240 2.080 2.351 . 0 0 "[ . 1 . 2]" 1 2024 1 85 VAL H 1 95 SER HB3 . . 4.080 3.165 3.052 3.253 . 0 0 "[ . 1 . 2]" 1 2025 1 85 VAL H 1 95 SER HG . . 3.160 2.768 2.588 2.860 . 0 0 "[ . 1 . 2]" 1 2026 1 85 VAL H 1 96 PRO HA . . 4.010 2.969 2.869 3.048 . 0 0 "[ . 1 . 2]" 1 2027 1 85 VAL H 1 96 PRO HB2 . . 5.500 5.351 5.259 5.408 . 0 0 "[ . 1 . 2]" 1 2028 1 85 VAL H 1 96 PRO HB3 . . 4.420 4.387 4.292 4.426 0.006 10 0 "[ . 1 . 2]" 1 2029 1 85 VAL H 1 97 PHE H . . 4.760 4.590 4.368 4.741 . 0 0 "[ . 1 . 2]" 1 2030 1 85 VAL H 1 97 PHE QE . . 4.750 3.905 3.674 4.107 . 0 0 "[ . 1 . 2]" 1 2031 1 85 VAL HA 1 85 VAL MG1 . . 3.740 2.383 2.306 2.477 . 0 0 "[ . 1 . 2]" 1 2032 1 85 VAL HA 1 85 VAL MG2 . . 3.350 2.294 2.185 2.392 . 0 0 "[ . 1 . 2]" 1 2033 1 85 VAL HA 1 86 LYS H . . 2.870 2.191 2.157 2.236 . 0 0 "[ . 1 . 2]" 1 2034 1 85 VAL HA 1 86 LYS HA . . 5.160 4.408 4.396 4.428 . 0 0 "[ . 1 . 2]" 1 2035 1 85 VAL HA 1 86 LYS HB3 . . 5.500 4.947 4.932 4.963 . 0 0 "[ . 1 . 2]" 1 2036 1 85 VAL HB 1 86 LYS H . . 4.660 4.056 3.959 4.160 . 0 0 "[ . 1 . 2]" 1 2037 1 85 VAL HB 1 86 LYS HA . . 5.350 4.751 4.661 4.855 . 0 0 "[ . 1 . 2]" 1 2038 1 85 VAL HB 1 92 ILE H . . 5.020 4.762 4.549 4.923 . 0 0 "[ . 1 . 2]" 1 2039 1 85 VAL HB 1 92 ILE MD . . 3.340 2.067 1.963 2.263 . 0 0 "[ . 1 . 2]" 1 2040 1 85 VAL HB 1 92 ILE HG12 . . 3.530 2.902 2.677 3.077 . 0 0 "[ . 1 . 2]" 1 2041 1 85 VAL HB 1 92 ILE HG13 . . 4.100 3.935 3.727 4.105 0.005 6 0 "[ . 1 . 2]" 1 2042 1 85 VAL HB 1 95 SER H . . 5.500 5.230 4.992 5.459 . 0 0 "[ . 1 . 2]" 1 2043 1 85 VAL HB 1 95 SER HA . . 4.950 4.568 4.427 4.709 . 0 0 "[ . 1 . 2]" 1 2044 1 85 VAL HB 1 95 SER HB2 . . 3.800 2.463 2.321 2.615 . 0 0 "[ . 1 . 2]" 1 2045 1 85 VAL HB 1 95 SER HB3 . . 3.790 3.428 3.249 3.604 . 0 0 "[ . 1 . 2]" 1 2046 1 85 VAL HB 1 97 PHE QE . . 4.100 2.138 2.058 2.300 . 0 0 "[ . 1 . 2]" 1 2047 1 85 VAL MG1 1 86 LYS H . . 3.230 2.160 1.913 2.391 . 0 0 "[ . 1 . 2]" 1 2048 1 85 VAL MG1 1 86 LYS HA . . 4.670 3.551 3.356 3.700 . 0 0 "[ . 1 . 2]" 1 2049 1 85 VAL MG2 1 86 LYS H . . 4.110 3.917 3.771 4.014 . 0 0 "[ . 1 . 2]" 1 2050 1 85 VAL MG2 1 97 PHE QD . . 3.810 2.421 2.061 2.782 . 0 0 "[ . 1 . 2]" 1 2051 1 85 VAL MG2 1 97 PHE QE . . 3.720 2.516 2.140 2.908 . 0 0 "[ . 1 . 2]" 1 2052 1 86 LYS H 1 86 LYS HB2 . . 3.460 2.779 2.694 2.849 . 0 0 "[ . 1 . 2]" 1 2053 1 86 LYS H 1 86 LYS HB3 . . 3.410 2.978 2.929 3.021 . 0 0 "[ . 1 . 2]" 1 2054 1 86 LYS H 1 86 LYS HD2 . . 5.220 5.077 4.923 5.208 . 0 0 "[ . 1 . 2]" 1 2055 1 86 LYS H 1 86 LYS HD3 . . 5.500 5.497 5.459 5.512 0.012 17 0 "[ . 1 . 2]" 1 2056 1 86 LYS H 1 86 LYS HG2 . . 4.960 4.735 4.707 4.758 . 0 0 "[ . 1 . 2]" 1 2057 1 86 LYS H 1 86 LYS HG3 . . 4.760 4.545 4.498 4.583 . 0 0 "[ . 1 . 2]" 1 2058 1 86 LYS H 1 91 GLU HA . . 5.030 4.994 4.941 5.034 0.004 13 0 "[ . 1 . 2]" 1 2059 1 86 LYS H 1 92 ILE MD . . 5.500 4.866 4.561 5.054 . 0 0 "[ . 1 . 2]" 1 2060 1 86 LYS HA 1 86 LYS HD2 . . 4.790 4.208 4.107 4.317 . 0 0 "[ . 1 . 2]" 1 2061 1 86 LYS HA 1 86 LYS HD3 . . 4.830 4.622 4.587 4.649 . 0 0 "[ . 1 . 2]" 1 2062 1 86 LYS HA 1 86 LYS QE . . 4.690 4.370 4.229 4.606 . 0 0 "[ . 1 . 2]" 1 2063 1 86 LYS HA 1 86 LYS HG2 . . 4.020 2.926 2.811 3.022 . 0 0 "[ . 1 . 2]" 1 2064 1 86 LYS HA 1 86 LYS HG3 . . 3.790 2.306 2.244 2.385 . 0 0 "[ . 1 . 2]" 1 2065 1 86 LYS HA 1 87 TYR H . . 2.720 2.470 2.442 2.518 . 0 0 "[ . 1 . 2]" 1 2066 1 86 LYS HA 1 87 TYR HB3 . . 5.500 4.801 4.734 4.854 . 0 0 "[ . 1 . 2]" 1 2067 1 86 LYS HA 1 90 GLU H . . 4.370 4.371 4.349 4.380 0.010 1 0 "[ . 1 . 2]" 1 2068 1 86 LYS HA 1 91 GLU H . . 5.210 4.557 4.484 4.616 . 0 0 "[ . 1 . 2]" 1 2069 1 86 LYS HA 1 91 GLU HA . . 3.400 2.275 2.211 2.331 . 0 0 "[ . 1 . 2]" 1 2070 1 86 LYS HA 1 91 GLU HB2 . . 5.360 5.204 5.127 5.267 . 0 0 "[ . 1 . 2]" 1 2071 1 86 LYS HA 1 91 GLU HB3 . . 5.120 4.812 4.756 4.861 . 0 0 "[ . 1 . 2]" 1 2072 1 86 LYS HA 1 91 GLU QG . . 5.110 3.550 3.472 3.622 . 0 0 "[ . 1 . 2]" 1 2073 1 86 LYS HA 1 92 ILE H . . 3.530 2.508 2.444 2.619 . 0 0 "[ . 1 . 2]" 1 2074 1 86 LYS HA 1 92 ILE MG . . 3.720 3.005 2.773 3.177 . 0 0 "[ . 1 . 2]" 1 2075 1 86 LYS HB2 1 86 LYS HD2 . . 4.110 2.306 2.232 2.418 . 0 0 "[ . 1 . 2]" 1 2076 1 86 LYS HB2 1 86 LYS QE . . 4.510 3.870 3.787 4.110 . 0 0 "[ . 1 . 2]" 1 2077 1 86 LYS HB2 1 87 TYR H . . 4.210 3.909 3.847 3.944 . 0 0 "[ . 1 . 2]" 1 2078 1 86 LYS HB2 1 87 TYR HA . . 5.500 5.546 5.529 5.556 0.056 14 0 "[ . 1 . 2]" 1 2079 1 86 LYS HB2 1 89 ASP H . . 5.500 5.507 5.433 5.533 0.033 11 0 "[ . 1 . 2]" 1 2080 1 86 LYS HB2 1 89 ASP HA . . 5.450 5.328 5.274 5.365 . 0 0 "[ . 1 . 2]" 1 2081 1 86 LYS HB2 1 90 GLU H . . 5.270 5.043 4.940 5.146 . 0 0 "[ . 1 . 2]" 1 2082 1 86 LYS HB2 1 91 GLU HA . . 4.110 3.797 3.750 3.893 . 0 0 "[ . 1 . 2]" 1 2083 1 86 LYS HB2 1 91 GLU QG . . 4.910 3.461 3.410 3.529 . 0 0 "[ . 1 . 2]" 1 2084 1 86 LYS HB2 1 92 ILE H . . 5.350 4.974 4.920 5.106 . 0 0 "[ . 1 . 2]" 1 2085 1 86 LYS HB3 1 86 LYS HD2 . . 3.690 3.048 2.934 3.133 . 0 0 "[ . 1 . 2]" 1 2086 1 86 LYS HB3 1 86 LYS HD3 . . 3.680 2.717 2.581 2.814 . 0 0 "[ . 1 . 2]" 1 2087 1 86 LYS HB3 1 86 LYS QE . . 4.250 4.085 4.025 4.113 . 0 0 "[ . 1 . 2]" 1 2088 1 86 LYS HB3 1 87 TYR H . . 3.980 3.064 2.971 3.126 . 0 0 "[ . 1 . 2]" 1 2089 1 86 LYS HB3 1 89 ASP H . . 4.930 4.057 3.985 4.093 . 0 0 "[ . 1 . 2]" 1 2090 1 86 LYS HB3 1 89 ASP HA . . 4.610 4.438 4.350 4.515 . 0 0 "[ . 1 . 2]" 1 2091 1 86 LYS HB3 1 90 GLU H . . 4.400 4.189 4.090 4.289 . 0 0 "[ . 1 . 2]" 1 2092 1 86 LYS HB3 1 91 GLU HA . . 5.230 4.571 4.528 4.653 . 0 0 "[ . 1 . 2]" 1 2093 1 86 LYS HD2 1 89 ASP HA . . 4.410 4.144 3.982 4.308 . 0 0 "[ . 1 . 2]" 1 2094 1 86 LYS HD2 1 90 GLU H . . 4.970 4.750 4.560 4.939 . 0 0 "[ . 1 . 2]" 1 2095 1 86 LYS HD2 1 91 GLU H . . 5.450 4.569 4.451 4.722 . 0 0 "[ . 1 . 2]" 1 2096 1 86 LYS HD2 1 91 GLU HA . . 4.430 4.277 4.092 4.444 0.014 18 0 "[ . 1 . 2]" 1 2097 1 86 LYS HD2 1 91 GLU QG . . 5.240 3.005 2.773 3.247 . 0 0 "[ . 1 . 2]" 1 2098 1 86 LYS HD3 1 89 ASP H . . 4.990 3.659 3.457 3.886 . 0 0 "[ . 1 . 2]" 1 2099 1 86 LYS HD3 1 89 ASP HA . . 4.040 2.549 2.336 2.716 . 0 0 "[ . 1 . 2]" 1 2100 1 86 LYS HD3 1 90 GLU H . . 5.290 3.751 3.512 3.982 . 0 0 "[ . 1 . 2]" 1 2101 1 86 LYS HD3 1 91 GLU HA . . 5.320 5.034 4.957 5.136 . 0 0 "[ . 1 . 2]" 1 2102 1 86 LYS HD3 1 91 GLU QG . . 4.990 4.281 4.108 4.484 . 0 0 "[ . 1 . 2]" 1 2103 1 86 LYS QE 1 86 LYS HG2 . . 3.610 2.483 2.382 2.629 . 0 0 "[ . 1 . 2]" 1 2104 1 86 LYS QE 1 86 LYS HG3 . . 3.920 2.367 2.173 2.569 . 0 0 "[ . 1 . 2]" 1 2105 1 86 LYS QE 1 89 ASP HA . . 3.660 2.547 2.306 2.860 . 0 0 "[ . 1 . 2]" 1 2106 1 86 LYS QE 1 90 GLU H . . 4.130 2.834 2.610 3.045 . 0 0 "[ . 1 . 2]" 1 2107 1 86 LYS QE 1 90 GLU HA . . 4.700 2.707 2.528 2.921 . 0 0 "[ . 1 . 2]" 1 2108 1 86 LYS QE 1 91 GLU H . . 4.520 2.477 2.225 2.704 . 0 0 "[ . 1 . 2]" 1 2109 1 86 LYS QE 1 91 GLU HA . . 5.060 3.602 3.311 4.041 . 0 0 "[ . 1 . 2]" 1 2110 1 86 LYS QE 1 91 GLU QG . . 4.590 2.517 2.087 3.574 . 0 0 "[ . 1 . 2]" 1 2111 1 86 LYS HG2 1 87 TYR H . . 3.440 1.948 1.892 2.098 . 0 0 "[ . 1 . 2]" 1 2112 1 86 LYS HG2 1 88 ALA H . . 5.500 4.582 4.416 4.790 . 0 0 "[ . 1 . 2]" 1 2113 1 86 LYS HG2 1 89 ASP H . . 4.340 3.162 2.980 3.293 . 0 0 "[ . 1 . 2]" 1 2114 1 86 LYS HG2 1 89 ASP HA . . 4.100 3.125 2.953 3.238 . 0 0 "[ . 1 . 2]" 1 2115 1 86 LYS HG2 1 90 GLU H . . 3.480 2.050 1.935 2.169 . 0 0 "[ . 1 . 2]" 1 2116 1 86 LYS HG2 1 90 GLU HB3 . . 5.500 5.288 5.180 5.406 . 0 0 "[ . 1 . 2]" 1 2117 1 86 LYS HG2 1 91 GLU H . . 4.310 3.792 3.595 3.921 . 0 0 "[ . 1 . 2]" 1 2118 1 86 LYS HG2 1 91 GLU HA . . 3.980 3.492 3.326 3.619 . 0 0 "[ . 1 . 2]" 1 2119 1 86 LYS HG2 1 91 GLU HB2 . . 5.500 5.426 5.273 5.511 0.011 20 0 "[ . 1 . 2]" 1 2120 1 86 LYS HG2 1 91 GLU QG . . 4.900 3.944 3.854 4.032 . 0 0 "[ . 1 . 2]" 1 2121 1 86 LYS HG2 1 92 ILE H . . 5.500 4.699 4.541 4.805 . 0 0 "[ . 1 . 2]" 1 2122 1 86 LYS HG3 1 87 TYR H . . 3.990 2.856 2.708 3.020 . 0 0 "[ . 1 . 2]" 1 2123 1 86 LYS HG3 1 89 ASP H . . 5.120 4.903 4.728 5.017 . 0 0 "[ . 1 . 2]" 1 2124 1 86 LYS HG3 1 89 ASP HA . . 4.530 4.422 4.348 4.476 . 0 0 "[ . 1 . 2]" 1 2125 1 86 LYS HG3 1 90 GLU H . . 4.250 3.342 3.245 3.493 . 0 0 "[ . 1 . 2]" 1 2126 1 86 LYS HG3 1 90 GLU HA . . 5.450 4.005 3.923 4.064 . 0 0 "[ . 1 . 2]" 1 2127 1 86 LYS HG3 1 91 GLU H . . 4.140 2.893 2.832 2.992 . 0 0 "[ . 1 . 2]" 1 2128 1 86 LYS HG3 1 91 GLU HA . . 3.510 2.039 1.997 2.133 . 0 0 "[ . 1 . 2]" 1 2129 1 86 LYS HG3 1 91 GLU HB2 . . 4.060 3.971 3.913 4.027 . 0 0 "[ . 1 . 2]" 1 2130 1 86 LYS HG3 1 91 GLU HB3 . . 4.550 4.353 4.308 4.405 . 0 0 "[ . 1 . 2]" 1 2131 1 86 LYS HG3 1 91 GLU QG . . 4.360 2.350 2.187 2.466 . 0 0 "[ . 1 . 2]" 1 2132 1 86 LYS HG3 1 92 ILE H . . 4.180 3.768 3.648 3.929 . 0 0 "[ . 1 . 2]" 1 2133 1 87 TYR H 1 87 TYR HB2 . . 3.750 3.152 3.109 3.207 . 0 0 "[ . 1 . 2]" 1 2134 1 87 TYR H 1 87 TYR HB3 . . 3.630 3.165 3.116 3.223 . 0 0 "[ . 1 . 2]" 1 2135 1 87 TYR H 1 87 TYR QD . . 4.760 4.504 4.488 4.523 . 0 0 "[ . 1 . 2]" 1 2136 1 87 TYR H 1 88 ALA H . . 4.460 3.860 3.773 3.990 . 0 0 "[ . 1 . 2]" 1 2137 1 87 TYR H 1 89 ASP H . . 4.710 3.653 3.430 3.787 . 0 0 "[ . 1 . 2]" 1 2138 1 87 TYR H 1 89 ASP HA . . 4.820 4.567 4.432 4.678 . 0 0 "[ . 1 . 2]" 1 2139 1 87 TYR H 1 90 GLU H . . 3.200 2.372 2.301 2.442 . 0 0 "[ . 1 . 2]" 1 2140 1 87 TYR H 1 90 GLU HA . . 5.190 4.550 4.474 4.597 . 0 0 "[ . 1 . 2]" 1 2141 1 87 TYR H 1 90 GLU HB2 . . 4.240 3.874 3.776 3.946 . 0 0 "[ . 1 . 2]" 1 2142 1 87 TYR H 1 90 GLU HB3 . . 5.080 4.927 4.863 4.979 . 0 0 "[ . 1 . 2]" 1 2143 1 87 TYR H 1 90 GLU QG . . 5.340 5.040 4.961 5.148 . 0 0 "[ . 1 . 2]" 1 2144 1 87 TYR H 1 91 GLU H . . 5.110 4.535 4.462 4.596 . 0 0 "[ . 1 . 2]" 1 2145 1 87 TYR H 1 91 GLU HA . . 3.790 3.606 3.542 3.646 . 0 0 "[ . 1 . 2]" 1 2146 1 87 TYR H 1 92 ILE H . . 4.290 3.834 3.702 3.957 . 0 0 "[ . 1 . 2]" 1 2147 1 87 TYR H 1 92 ILE MG . . 3.580 3.485 3.289 3.587 0.007 16 0 "[ . 1 . 2]" 1 2148 1 87 TYR HA 1 87 TYR QD . . 3.430 2.640 2.524 2.731 . 0 0 "[ . 1 . 2]" 1 2149 1 87 TYR HA 1 88 ALA H . . 2.720 2.151 2.137 2.165 . 0 0 "[ . 1 . 2]" 1 2150 1 87 TYR HA 1 88 ALA HA . . 4.400 4.369 4.364 4.375 . 0 0 "[ . 1 . 2]" 1 2151 1 87 TYR HA 1 88 ALA MB . . 4.260 3.937 3.877 3.986 . 0 0 "[ . 1 . 2]" 1 2152 1 87 TYR HA 1 89 ASP H . . 4.340 3.958 3.719 4.109 . 0 0 "[ . 1 . 2]" 1 2153 1 87 TYR HA 1 90 GLU H . . 4.540 4.336 4.224 4.395 . 0 0 "[ . 1 . 2]" 1 2154 1 87 TYR HB2 1 88 ALA H . . 4.630 4.536 4.480 4.566 . 0 0 "[ . 1 . 2]" 1 2155 1 87 TYR HB2 1 90 GLU HB2 . . 5.500 5.290 5.133 5.395 . 0 0 "[ . 1 . 2]" 1 2156 1 87 TYR HB2 1 92 ILE H . . 5.500 4.373 4.198 4.594 . 0 0 "[ . 1 . 2]" 1 2157 1 87 TYR HB2 1 92 ILE MG . . 3.420 2.374 2.230 2.503 . 0 0 "[ . 1 . 2]" 1 2158 1 87 TYR HB3 1 88 ALA H . . 4.510 4.189 4.086 4.257 . 0 0 "[ . 1 . 2]" 1 2159 1 87 TYR HB3 1 90 GLU HB2 . . 5.360 3.881 3.706 4.002 . 0 0 "[ . 1 . 2]" 1 2160 1 87 TYR HB3 1 92 ILE H . . 5.500 4.863 4.548 5.074 . 0 0 "[ . 1 . 2]" 1 2161 1 87 TYR HB3 1 92 ILE MG . . 3.500 2.948 2.834 3.114 . 0 0 "[ . 1 . 2]" 1 2162 1 87 TYR QD 1 88 ALA H . . 4.120 4.015 3.880 4.098 . 0 0 "[ . 1 . 2]" 1 2163 1 87 TYR QD 1 88 ALA MB . . 4.010 3.056 2.859 3.268 . 0 0 "[ . 1 . 2]" 1 2164 1 87 TYR QD 1 90 GLU HB2 . . 5.500 4.878 4.705 5.034 . 0 0 "[ . 1 . 2]" 1 2165 1 87 TYR QD 1 92 ILE MG . . 4.320 3.786 3.645 3.932 . 0 0 "[ . 1 . 2]" 1 2166 1 88 ALA H 1 88 ALA HA . . 2.820 2.277 2.275 2.279 . 0 0 "[ . 1 . 2]" 1 2167 1 88 ALA H 1 88 ALA MB . . 3.310 2.864 2.820 2.899 . 0 0 "[ . 1 . 2]" 1 2168 1 88 ALA H 1 89 ASP H . . 3.360 2.675 2.634 2.708 . 0 0 "[ . 1 . 2]" 1 2169 1 88 ALA H 1 89 ASP HA . . 5.250 4.934 4.886 4.989 . 0 0 "[ . 1 . 2]" 1 2170 1 88 ALA H 1 90 GLU H . . 4.510 4.083 4.006 4.157 . 0 0 "[ . 1 . 2]" 1 2171 1 88 ALA HA 1 89 ASP H . . 3.470 2.815 2.750 2.912 . 0 0 "[ . 1 . 2]" 1 2172 1 88 ALA HA 1 89 ASP HA . . 4.820 4.778 4.746 4.812 . 0 0 "[ . 1 . 2]" 1 2173 1 88 ALA HA 1 89 ASP QB . . 4.520 4.097 3.774 4.410 . 0 0 "[ . 1 . 2]" 1 2174 1 88 ALA HA 1 90 GLU H . . 4.770 4.592 4.519 4.658 . 0 0 "[ . 1 . 2]" 1 2175 1 88 ALA MB 1 89 ASP H . . 3.760 3.675 3.633 3.697 . 0 0 "[ . 1 . 2]" 1 2176 1 88 ALA MB 1 89 ASP HA . . 5.320 5.049 5.025 5.063 . 0 0 "[ . 1 . 2]" 1 2177 1 88 ALA MB 1 89 ASP QB . . 4.830 3.962 3.840 4.110 . 0 0 "[ . 1 . 2]" 1 2178 1 88 ALA MB 1 90 GLU H . . 4.120 3.906 3.840 3.969 . 0 0 "[ . 1 . 2]" 1 2179 1 88 ALA MB 1 90 GLU HA . . 5.500 5.482 5.456 5.506 0.006 18 0 "[ . 1 . 2]" 1 2180 1 88 ALA MB 1 90 GLU HB2 . . 3.710 3.470 3.369 3.570 . 0 0 "[ . 1 . 2]" 1 2181 1 89 ASP H 1 89 ASP QB . . 3.570 3.309 3.040 3.468 . 0 0 "[ . 1 . 2]" 1 2182 1 89 ASP H 1 90 GLU H . . 3.240 2.589 2.474 2.651 . 0 0 "[ . 1 . 2]" 1 2183 1 89 ASP H 1 90 GLU HB2 . . 4.950 4.887 4.815 4.953 0.003 20 0 "[ . 1 . 2]" 1 2184 1 89 ASP HA 1 90 GLU H . . 3.420 2.876 2.839 2.918 . 0 0 "[ . 1 . 2]" 1 2185 1 89 ASP QB 1 90 GLU H . . 4.060 3.821 3.802 3.838 . 0 0 "[ . 1 . 2]" 1 2186 1 89 ASP QB 1 90 GLU QG . . 4.000 3.274 3.192 3.348 . 0 0 "[ . 1 . 2]" 1 2187 1 89 ASP HB2 1 90 GLU H . . 4.640 4.194 4.097 4.493 . 0 0 "[ . 1 . 2]" 1 2188 1 89 ASP HB2 1 90 GLU HG2 . . 5.500 4.268 3.572 5.400 . 0 0 "[ . 1 . 2]" 1 2189 1 89 ASP HB2 1 90 GLU HG3 . . 5.500 3.994 3.454 5.008 . 0 0 "[ . 1 . 2]" 1 2190 1 89 ASP HB3 1 90 GLU H . . 4.640 4.417 4.114 4.548 . 0 0 "[ . 1 . 2]" 1 2191 1 89 ASP HB3 1 90 GLU HG2 . . 5.500 4.462 3.637 5.024 . 0 0 "[ . 1 . 2]" 1 2192 1 89 ASP HB3 1 90 GLU HG3 . . 5.500 4.703 3.680 5.473 . 0 0 "[ . 1 . 2]" 1 2193 1 90 GLU H 1 90 GLU HB2 . . 3.110 2.798 2.735 2.845 . 0 0 "[ . 1 . 2]" 1 2194 1 90 GLU H 1 90 GLU HB3 . . 4.010 3.864 3.829 3.893 . 0 0 "[ . 1 . 2]" 1 2195 1 90 GLU H 1 90 GLU HG2 . . 4.170 3.838 3.244 4.123 . 0 0 "[ . 1 . 2]" 1 2196 1 90 GLU H 1 90 GLU QG . . 3.440 3.236 3.139 3.334 . 0 0 "[ . 1 . 2]" 1 2197 1 90 GLU H 1 90 GLU HG3 . . 4.170 3.605 3.380 4.189 0.019 20 0 "[ . 1 . 2]" 1 2198 1 90 GLU H 1 91 GLU H . . 4.360 3.887 3.855 3.943 . 0 0 "[ . 1 . 2]" 1 2199 1 90 GLU H 1 91 GLU HA . . 4.800 4.525 4.494 4.575 . 0 0 "[ . 1 . 2]" 1 2200 1 90 GLU H 1 92 ILE MG . . 5.460 5.186 5.056 5.256 . 0 0 "[ . 1 . 2]" 1 2201 1 90 GLU HA 1 90 GLU HG2 . . 3.760 2.432 2.333 2.713 . 0 0 "[ . 1 . 2]" 1 2202 1 90 GLU HA 1 90 GLU HG3 . . 3.760 3.391 3.199 3.776 0.016 20 0 "[ . 1 . 2]" 1 2203 1 90 GLU HA 1 91 GLU H . . 2.640 2.165 2.160 2.166 . 0 0 "[ . 1 . 2]" 1 2204 1 90 GLU HA 1 91 GLU HA . . 4.750 4.439 4.433 4.441 . 0 0 "[ . 1 . 2]" 1 2205 1 90 GLU HA 1 91 GLU HB2 . . 4.420 4.249 4.242 4.256 . 0 0 "[ . 1 . 2]" 1 2206 1 90 GLU HA 1 91 GLU HB3 . . 5.500 5.566 5.562 5.573 0.073 20 0 "[ . 1 . 2]" 1 2207 1 90 GLU HB2 1 91 GLU H . . 4.580 4.442 4.423 4.474 . 0 0 "[ . 1 . 2]" 1 2208 1 90 GLU HB3 1 91 GLU H . . 3.910 3.757 3.729 3.766 . 0 0 "[ . 1 . 2]" 1 2209 1 91 GLU H 1 91 GLU HB2 . . 3.000 2.193 2.177 2.209 . 0 0 "[ . 1 . 2]" 1 2210 1 91 GLU H 1 91 GLU HB3 . . 3.500 3.498 3.488 3.508 0.008 9 0 "[ . 1 . 2]" 1 2211 1 91 GLU H 1 91 GLU QG . . 3.080 2.887 2.841 2.924 . 0 0 "[ . 1 . 2]" 1 2212 1 91 GLU H 1 92 ILE H . . 4.550 4.438 4.374 4.503 . 0 0 "[ . 1 . 2]" 1 2213 1 91 GLU HA 1 91 GLU QG . . 3.910 2.251 2.220 2.272 . 0 0 "[ . 1 . 2]" 1 2214 1 91 GLU HA 1 92 ILE H . . 2.810 2.143 2.138 2.156 . 0 0 "[ . 1 . 2]" 1 2215 1 91 GLU HA 1 92 ILE HG12 . . 4.390 3.925 3.821 4.073 . 0 0 "[ . 1 . 2]" 1 2216 1 91 GLU HA 1 92 ILE HG13 . . 4.970 4.921 4.854 4.986 0.016 13 0 "[ . 1 . 2]" 1 2217 1 91 GLU HA 1 92 ILE MG . . 4.160 3.750 3.631 3.826 . 0 0 "[ . 1 . 2]" 1 2218 1 91 GLU HA 1 95 SER HB2 . . 5.500 5.496 5.427 5.520 0.020 13 0 "[ . 1 . 2]" 1 2219 1 91 GLU HA 1 95 SER HB3 . . 4.500 4.170 4.081 4.226 . 0 0 "[ . 1 . 2]" 1 2220 1 91 GLU HA 1 95 SER HG . . 5.040 3.952 3.843 4.071 . 0 0 "[ . 1 . 2]" 1 2221 1 91 GLU HB2 1 92 ILE H . . 4.560 4.522 4.463 4.563 0.003 7 0 "[ . 1 . 2]" 1 2222 1 91 GLU HB2 1 95 SER HG . . 4.890 4.770 4.709 4.828 . 0 0 "[ . 1 . 2]" 1 2223 1 91 GLU HB3 1 92 ILE H . . 3.810 3.668 3.521 3.785 . 0 0 "[ . 1 . 2]" 1 2224 1 91 GLU HB3 1 95 SER H . . 5.500 4.774 4.711 4.823 . 0 0 "[ . 1 . 2]" 1 2225 1 91 GLU HB3 1 95 SER HG . . 4.080 3.245 3.171 3.309 . 0 0 "[ . 1 . 2]" 1 2226 1 91 GLU QG 1 92 ILE H . . 3.950 3.846 3.753 3.925 . 0 0 "[ . 1 . 2]" 1 2227 1 91 GLU QG 1 95 SER H . . 5.500 5.506 5.453 5.521 0.021 16 0 "[ . 1 . 2]" 1 2228 1 91 GLU QG 1 95 SER HB2 . . 4.860 4.864 4.829 4.879 0.019 11 0 "[ . 1 . 2]" 1 2229 1 91 GLU QG 1 95 SER HB3 . . 4.020 3.957 3.917 3.984 . 0 0 "[ . 1 . 2]" 1 2230 1 91 GLU QG 1 95 SER HG . . 4.140 2.472 2.400 2.534 . 0 0 "[ . 1 . 2]" 1 2231 1 91 GLU QG 1 96 PRO QD . . 4.510 4.418 4.283 4.512 0.002 4 0 "[ . 1 . 2]" 1 2232 1 92 ILE H 1 92 ILE HB . . 4.070 3.615 3.613 3.620 . 0 0 "[ . 1 . 2]" 1 2233 1 92 ILE H 1 92 ILE MD . . 3.790 3.759 3.668 3.809 0.019 16 0 "[ . 1 . 2]" 1 2234 1 92 ILE H 1 92 ILE HG12 . . 3.180 2.213 2.074 2.284 . 0 0 "[ . 1 . 2]" 1 2235 1 92 ILE H 1 92 ILE HG13 . . 3.270 3.212 3.141 3.274 0.004 5 0 "[ . 1 . 2]" 1 2236 1 92 ILE H 1 92 ILE MG . . 3.020 2.055 1.959 2.209 . 0 0 "[ . 1 . 2]" 1 2237 1 92 ILE H 1 93 PRO HD2 . . 4.800 4.745 4.733 4.757 . 0 0 "[ . 1 . 2]" 1 2238 1 92 ILE H 1 95 SER H . . 4.560 4.560 4.482 4.579 0.019 18 0 "[ . 1 . 2]" 1 2239 1 92 ILE H 1 95 SER HB2 . . 5.090 4.646 4.457 4.845 . 0 0 "[ . 1 . 2]" 1 2240 1 92 ILE H 1 95 SER HB3 . . 3.540 3.255 3.106 3.406 . 0 0 "[ . 1 . 2]" 1 2241 1 92 ILE H 1 95 SER HG . . 4.400 4.181 3.983 4.358 . 0 0 "[ . 1 . 2]" 1 2242 1 92 ILE HA 1 92 ILE MD . . 4.290 4.153 4.142 4.164 . 0 0 "[ . 1 . 2]" 1 2243 1 92 ILE HA 1 92 ILE HG13 . . 3.870 3.660 3.625 3.692 . 0 0 "[ . 1 . 2]" 1 2244 1 92 ILE HA 1 92 ILE MG . . 3.100 2.362 2.259 2.415 . 0 0 "[ . 1 . 2]" 1 2245 1 92 ILE HA 1 93 PRO HD2 . . 3.250 2.386 2.379 2.399 . 0 0 "[ . 1 . 2]" 1 2246 1 92 ILE HA 1 93 PRO HD3 . . 3.040 2.294 2.291 2.299 . 0 0 "[ . 1 . 2]" 1 2247 1 92 ILE HA 1 93 PRO HG2 . . 4.540 4.501 4.495 4.512 . 0 0 "[ . 1 . 2]" 1 2248 1 92 ILE HA 1 93 PRO HG3 . . 4.530 4.463 4.460 4.471 . 0 0 "[ . 1 . 2]" 1 2249 1 92 ILE HB 1 92 ILE MD . . 3.240 2.270 2.215 2.348 . 0 0 "[ . 1 . 2]" 1 2250 1 92 ILE HB 1 93 PRO HD2 . . 3.420 1.957 1.936 1.970 . 0 0 "[ . 1 . 2]" 1 2251 1 92 ILE HB 1 93 PRO HD3 . . 3.390 3.411 3.390 3.423 0.033 1 0 "[ . 1 . 2]" 1 2252 1 92 ILE HB 1 93 PRO HG3 . . 4.650 4.618 4.598 4.627 . 0 0 "[ . 1 . 2]" 1 2253 1 92 ILE HB 1 94 ARG H . . 3.890 2.631 2.564 2.699 . 0 0 "[ . 1 . 2]" 1 2254 1 92 ILE MD 1 92 ILE MG . . 2.780 2.136 1.973 2.237 . 0 0 "[ . 1 . 2]" 1 2255 1 92 ILE MD 1 93 PRO HD2 . . 4.560 3.865 3.741 3.946 . 0 0 "[ . 1 . 2]" 1 2256 1 92 ILE MD 1 94 ARG H . . 4.210 2.971 2.848 3.091 . 0 0 "[ . 1 . 2]" 1 2257 1 92 ILE MD 1 94 ARG HB2 . . 4.860 2.088 2.004 2.227 . 0 0 "[ . 1 . 2]" 1 2258 1 92 ILE MD 1 94 ARG HB3 . . 4.890 3.196 2.981 3.360 . 0 0 "[ . 1 . 2]" 1 2259 1 92 ILE MD 1 95 SER H . . 4.540 3.268 3.150 3.503 . 0 0 "[ . 1 . 2]" 1 2260 1 92 ILE MD 1 95 SER HA . . 4.800 3.742 3.595 3.890 . 0 0 "[ . 1 . 2]" 1 2261 1 92 ILE MD 1 95 SER HB2 . . 3.790 2.798 2.727 2.870 . 0 0 "[ . 1 . 2]" 1 2262 1 92 ILE MD 1 95 SER HB3 . . 4.710 2.969 2.884 3.023 . 0 0 "[ . 1 . 2]" 1 2263 1 92 ILE MD 1 97 PHE QD . . 4.680 3.808 3.719 3.881 . 0 0 "[ . 1 . 2]" 1 2264 1 92 ILE MD 1 97 PHE QE . . 3.400 1.877 1.808 1.952 . 0 0 "[ . 1 . 2]" 1 2265 1 92 ILE MD 1 97 PHE HZ . . 3.560 1.983 1.925 2.129 . 0 0 "[ . 1 . 2]" 1 2266 1 92 ILE HG12 1 92 ILE MG . . 3.170 2.340 2.219 2.404 . 0 0 "[ . 1 . 2]" 1 2267 1 92 ILE HG12 1 94 ARG H . . 4.050 3.744 3.671 3.825 . 0 0 "[ . 1 . 2]" 1 2268 1 92 ILE HG12 1 95 SER H . . 3.930 3.524 3.424 3.704 . 0 0 "[ . 1 . 2]" 1 2269 1 92 ILE HG12 1 95 SER HA . . 4.950 4.622 4.496 4.785 . 0 0 "[ . 1 . 2]" 1 2270 1 92 ILE HG12 1 95 SER HB2 . . 3.740 2.907 2.734 3.061 . 0 0 "[ . 1 . 2]" 1 2271 1 92 ILE HG12 1 95 SER HB3 . . 4.070 2.046 1.993 2.182 . 0 0 "[ . 1 . 2]" 1 2272 1 92 ILE HG12 1 97 PHE QE . . 4.790 3.571 3.340 3.924 . 0 0 "[ . 1 . 2]" 1 2273 1 92 ILE HG12 1 97 PHE HZ . . 5.130 4.752 4.617 4.861 . 0 0 "[ . 1 . 2]" 1 2274 1 92 ILE HG13 1 92 ILE MG . . 3.730 3.195 3.185 3.202 . 0 0 "[ . 1 . 2]" 1 2275 1 92 ILE HG13 1 93 PRO HD2 . . 4.880 3.968 3.919 4.024 . 0 0 "[ . 1 . 2]" 1 2276 1 92 ILE HG13 1 93 PRO HD3 . . 5.160 4.967 4.907 5.031 . 0 0 "[ . 1 . 2]" 1 2277 1 92 ILE HG13 1 94 ARG H . . 3.890 2.067 1.976 2.171 . 0 0 "[ . 1 . 2]" 1 2278 1 92 ILE HG13 1 94 ARG HB3 . . 5.230 4.437 4.337 4.512 . 0 0 "[ . 1 . 2]" 1 2279 1 92 ILE HG13 1 95 SER H . . 3.790 2.005 1.895 2.214 . 0 0 "[ . 1 . 2]" 1 2280 1 92 ILE HG13 1 95 SER HA . . 4.980 3.860 3.821 3.896 . 0 0 "[ . 1 . 2]" 1 2281 1 92 ILE HG13 1 95 SER HB2 . . 3.710 3.052 2.982 3.123 . 0 0 "[ . 1 . 2]" 1 2282 1 92 ILE HG13 1 95 SER HB3 . . 3.960 1.995 1.986 2.001 . 0 0 "[ . 1 . 2]" 1 2283 1 92 ILE HG13 1 97 PHE QE . . 4.490 3.589 3.266 3.964 . 0 0 "[ . 1 . 2]" 1 2284 1 92 ILE HG13 1 97 PHE HZ . . 5.020 4.069 3.982 4.145 . 0 0 "[ . 1 . 2]" 1 2285 1 92 ILE MG 1 93 PRO HD2 . . 3.980 3.085 2.975 3.159 . 0 0 "[ . 1 . 2]" 1 2286 1 92 ILE MG 1 93 PRO HD3 . . 4.000 3.847 3.769 3.911 . 0 0 "[ . 1 . 2]" 1 2287 1 92 ILE MG 1 95 SER HB2 . . 5.120 4.705 4.542 4.866 . 0 0 "[ . 1 . 2]" 1 2288 1 92 ILE MG 1 95 SER HB3 . . 5.020 4.010 3.900 4.164 . 0 0 "[ . 1 . 2]" 1 2289 1 93 PRO HA 1 94 ARG H . . 3.310 3.273 3.240 3.283 . 0 0 "[ . 1 . 2]" 1 2290 1 93 PRO HA 1 94 ARG HA . . 4.720 4.526 4.508 4.540 . 0 0 "[ . 1 . 2]" 1 2291 1 93 PRO HA 1 94 ARG QG . . 4.960 4.746 4.603 5.043 0.083 20 0 "[ . 1 . 2]" 1 2292 1 93 PRO HA 1 95 SER H . . 3.990 3.808 3.761 3.884 . 0 0 "[ . 1 . 2]" 1 2293 1 93 PRO HB2 1 94 ARG H . . 4.120 4.005 3.990 4.051 . 0 0 "[ . 1 . 2]" 1 2294 1 93 PRO HB3 1 94 ARG H . . 4.600 4.526 4.518 4.551 . 0 0 "[ . 1 . 2]" 1 2295 1 93 PRO HD2 1 94 ARG H . . 5.390 3.086 3.063 3.158 . 0 0 "[ . 1 . 2]" 1 2296 1 93 PRO HD3 1 94 ARG H . . 4.730 4.074 4.061 4.113 . 0 0 "[ . 1 . 2]" 1 2297 1 93 PRO HG2 1 94 ARG H . . 4.210 3.427 3.396 3.521 . 0 0 "[ . 1 . 2]" 1 2298 1 93 PRO HG2 1 94 ARG QG . . 3.570 2.734 2.561 3.494 . 0 0 "[ . 1 . 2]" 1 2299 1 93 PRO HG3 1 94 ARG H . . 5.330 4.679 4.656 4.752 . 0 0 "[ . 1 . 2]" 1 2300 1 93 PRO HG3 1 94 ARG QG . . 5.020 4.382 4.230 5.059 0.039 20 0 "[ . 1 . 2]" 1 2301 1 94 ARG H 1 94 ARG HB2 . . 3.970 2.544 2.488 2.605 . 0 0 "[ . 1 . 2]" 1 2302 1 94 ARG H 1 94 ARG HB3 . . 3.960 3.718 3.685 3.756 . 0 0 "[ . 1 . 2]" 1 2303 1 94 ARG H 1 94 ARG QD . . 4.680 4.170 2.495 4.593 . 0 0 "[ . 1 . 2]" 1 2304 1 94 ARG H 1 94 ARG QG . . 3.590 2.954 2.758 3.473 . 0 0 "[ . 1 . 2]" 1 2305 1 94 ARG H 1 95 SER H . . 3.330 2.059 1.951 2.114 . 0 0 "[ . 1 . 2]" 1 2306 1 94 ARG H 1 95 SER HA . . 5.370 4.665 4.608 4.688 . 0 0 "[ . 1 . 2]" 1 2307 1 94 ARG H 1 95 SER HB2 . . 5.500 4.748 4.659 4.825 . 0 0 "[ . 1 . 2]" 1 2308 1 94 ARG H 1 95 SER HB3 . . 4.990 3.736 3.666 3.787 . 0 0 "[ . 1 . 2]" 1 2309 1 94 ARG HA 1 94 ARG QD . . 4.320 2.840 1.999 4.192 . 0 0 "[ . 1 . 2]" 1 2310 1 94 ARG HA 1 94 ARG QG . . 3.310 2.600 2.310 2.897 . 0 0 "[ . 1 . 2]" 1 2311 1 94 ARG HA 1 95 SER H . . 3.360 3.243 3.161 3.301 . 0 0 "[ . 1 . 2]" 1 2312 1 94 ARG HA 1 97 PHE QE . . 5.260 4.385 4.025 4.679 . 0 0 "[ . 1 . 2]" 1 2313 1 94 ARG HB2 1 94 ARG QD . . 3.520 3.000 2.196 3.448 . 0 0 "[ . 1 . 2]" 1 2314 1 94 ARG HB2 1 95 SER H . . 4.310 3.594 3.458 3.748 . 0 0 "[ . 1 . 2]" 1 2315 1 94 ARG HB2 1 95 SER HA . . 5.500 4.771 4.654 4.892 . 0 0 "[ . 1 . 2]" 1 2316 1 94 ARG HB2 1 95 SER HB2 . . 4.880 4.835 4.734 4.909 0.029 11 0 "[ . 1 . 2]" 1 2317 1 94 ARG HB2 1 95 SER HB3 . . 4.820 4.709 4.594 4.784 . 0 0 "[ . 1 . 2]" 1 2318 1 94 ARG HB2 1 97 PHE QD . . 5.180 5.097 4.944 5.185 0.005 10 0 "[ . 1 . 2]" 1 2319 1 94 ARG HB2 1 97 PHE QE . . 4.220 3.347 3.173 3.451 . 0 0 "[ . 1 . 2]" 1 2320 1 94 ARG HB2 1 97 PHE HZ . . 5.420 2.224 2.017 2.384 . 0 0 "[ . 1 . 2]" 1 2321 1 94 ARG HB3 1 94 ARG QD . . 3.410 2.437 2.051 3.184 . 0 0 "[ . 1 . 2]" 1 2322 1 94 ARG HB3 1 95 SER H . . 4.550 4.254 4.184 4.351 . 0 0 "[ . 1 . 2]" 1 2323 1 94 ARG HB3 1 97 PHE QD . . 4.750 4.218 3.979 4.407 . 0 0 "[ . 1 . 2]" 1 2324 1 94 ARG HB3 1 97 PHE QE . . 3.980 2.390 1.991 2.781 . 0 0 "[ . 1 . 2]" 1 2325 1 94 ARG HB3 1 97 PHE HZ . . 4.360 2.370 2.107 2.613 . 0 0 "[ . 1 . 2]" 1 2326 1 94 ARG QD 1 97 PHE QE . . 4.300 3.641 2.908 4.354 0.054 20 0 "[ . 1 . 2]" 1 2327 1 94 ARG QG 1 97 PHE QE . . 4.440 4.016 3.388 4.343 . 0 0 "[ . 1 . 2]" 1 2328 1 95 SER H 1 95 SER HB2 . . 3.540 3.406 3.350 3.455 . 0 0 "[ . 1 . 2]" 1 2329 1 95 SER H 1 95 SER HB3 . . 3.020 2.400 2.361 2.457 . 0 0 "[ . 1 . 2]" 1 2330 1 95 SER H 1 96 PRO HA . . 4.930 4.776 4.771 4.780 . 0 0 "[ . 1 . 2]" 1 2331 1 95 SER H 1 97 PHE QE . . 4.600 4.332 4.155 4.611 0.011 13 0 "[ . 1 . 2]" 1 2332 1 95 SER HA 1 96 PRO HA . . 3.190 2.379 2.361 2.391 . 0 0 "[ . 1 . 2]" 1 2333 1 95 SER HA 1 96 PRO HB2 . . 4.940 4.393 4.382 4.401 . 0 0 "[ . 1 . 2]" 1 2334 1 95 SER HA 1 96 PRO HB3 . . 4.650 4.486 4.471 4.496 . 0 0 "[ . 1 . 2]" 1 2335 1 95 SER HA 1 96 PRO QD . . 5.040 4.015 4.013 4.017 . 0 0 "[ . 1 . 2]" 1 2336 1 95 SER HA 1 96 PRO QG . . 5.230 4.503 4.500 4.507 . 0 0 "[ . 1 . 2]" 1 2337 1 95 SER HA 1 97 PHE H . . 3.710 3.557 3.417 3.633 . 0 0 "[ . 1 . 2]" 1 2338 1 95 SER HA 1 97 PHE HA . . 4.590 3.735 3.650 3.787 . 0 0 "[ . 1 . 2]" 1 2339 1 95 SER HA 1 97 PHE QD . . 4.080 3.138 2.803 3.481 . 0 0 "[ . 1 . 2]" 1 2340 1 95 SER HA 1 97 PHE QE . . 4.280 3.430 3.139 3.675 . 0 0 "[ . 1 . 2]" 1 2341 1 95 SER HA 1 97 PHE HZ . . 4.740 4.548 4.434 4.670 . 0 0 "[ . 1 . 2]" 1 2342 1 95 SER HB2 1 96 PRO HA . . 4.200 2.791 2.755 2.838 . 0 0 "[ . 1 . 2]" 1 2343 1 95 SER HB2 1 96 PRO HB2 . . 5.500 5.453 5.417 5.503 0.003 20 0 "[ . 1 . 2]" 1 2344 1 95 SER HB2 1 97 PHE H . . 4.550 4.377 4.198 4.457 . 0 0 "[ . 1 . 2]" 1 2345 1 95 SER HB2 1 97 PHE HA . . 5.500 5.477 5.382 5.518 0.018 5 0 "[ . 1 . 2]" 1 2346 1 95 SER HB2 1 97 PHE QD . . 4.420 2.881 2.685 3.182 . 0 0 "[ . 1 . 2]" 1 2347 1 95 SER HB2 1 97 PHE QE . . 3.890 2.376 2.051 2.719 . 0 0 "[ . 1 . 2]" 1 2348 1 95 SER HB2 1 97 PHE HZ . . 4.370 4.357 4.299 4.386 0.016 20 0 "[ . 1 . 2]" 1 2349 1 95 SER HB3 1 96 PRO HA . . 4.560 3.733 3.720 3.755 . 0 0 "[ . 1 . 2]" 1 2350 1 95 SER HB3 1 97 PHE QD . . 5.200 4.566 4.367 4.840 . 0 0 "[ . 1 . 2]" 1 2351 1 95 SER HB3 1 97 PHE QE . . 4.470 3.587 3.282 3.920 . 0 0 "[ . 1 . 2]" 1 2352 1 95 SER HB3 1 97 PHE HZ . . 5.070 5.022 4.919 5.084 0.014 12 0 "[ . 1 . 2]" 1 2353 1 95 SER HG 1 96 PRO HA . . 3.750 3.021 2.956 3.085 . 0 0 "[ . 1 . 2]" 1 2354 1 95 SER HG 1 96 PRO HB2 . . 5.500 5.363 5.272 5.453 . 0 0 "[ . 1 . 2]" 1 2355 1 95 SER HG 1 96 PRO HB3 . . 4.630 4.156 4.079 4.236 . 0 0 "[ . 1 . 2]" 1 2356 1 95 SER HG 1 96 PRO QD . . 5.000 3.528 3.392 3.664 . 0 0 "[ . 1 . 2]" 1 2357 1 95 SER HG 1 97 PHE H . . 5.500 5.491 5.373 5.524 0.024 15 0 "[ . 1 . 2]" 1 2358 1 96 PRO HA 1 97 PHE H . . 2.860 2.505 2.429 2.546 . 0 0 "[ . 1 . 2]" 1 2359 1 96 PRO HA 1 97 PHE HA . . 4.790 4.425 4.398 4.445 . 0 0 "[ . 1 . 2]" 1 2360 1 96 PRO HA 1 97 PHE HB2 . . 5.500 4.534 4.516 4.555 . 0 0 "[ . 1 . 2]" 1 2361 1 96 PRO HA 1 97 PHE QD . . 4.070 3.333 2.967 3.706 . 0 0 "[ . 1 . 2]" 1 2362 1 96 PRO HB2 1 97 PHE H . . 3.750 2.363 2.270 2.539 . 0 0 "[ . 1 . 2]" 1 2363 1 96 PRO HB3 1 97 PHE H . . 3.860 3.332 3.291 3.415 . 0 0 "[ . 1 . 2]" 1 2364 1 96 PRO HB3 1 97 PHE QD . . 5.500 5.215 4.908 5.504 0.004 20 0 "[ . 1 . 2]" 1 2365 1 96 PRO QG 1 97 PHE H . . 4.590 3.987 3.917 4.115 . 0 0 "[ . 1 . 2]" 1 2366 1 96 PRO HG2 1 97 PHE H . . 5.280 4.221 4.142 4.366 . 0 0 "[ . 1 . 2]" 1 2367 1 96 PRO HG3 1 97 PHE H . . 5.280 4.899 4.827 5.034 . 0 0 "[ . 1 . 2]" 1 2368 1 97 PHE H 1 97 PHE HB2 . . 3.350 2.512 2.463 2.552 . 0 0 "[ . 1 . 2]" 1 2369 1 97 PHE H 1 97 PHE HB3 . . 3.750 3.702 3.673 3.726 . 0 0 "[ . 1 . 2]" 1 2370 1 97 PHE H 1 97 PHE QD . . 3.220 2.862 2.603 3.178 . 0 0 "[ . 1 . 2]" 1 2371 1 97 PHE H 1 97 PHE QE . . 5.110 4.955 4.814 5.109 . 0 0 "[ . 1 . 2]" 1 2372 1 97 PHE H 1 98 LYS H . . 4.590 4.347 4.215 4.491 . 0 0 "[ . 1 . 2]" 1 2373 1 97 PHE HA 1 97 PHE QD . . 3.640 2.935 2.696 3.104 . 0 0 "[ . 1 . 2]" 1 2374 1 97 PHE HA 1 97 PHE QE . . 5.270 4.585 4.507 4.645 . 0 0 "[ . 1 . 2]" 1 2375 1 97 PHE HA 1 98 LYS H . . 2.600 2.159 2.138 2.245 . 0 0 "[ . 1 . 2]" 1 2376 1 97 PHE HA 1 98 LYS QG . . 4.370 3.885 3.724 4.385 0.015 17 0 "[ . 1 . 2]" 1 2377 1 97 PHE HB2 1 98 LYS H . . 4.380 4.282 4.020 4.402 0.022 7 0 "[ . 1 . 2]" 1 2378 1 97 PHE HB2 1 99 VAL MG2 . . 4.240 3.456 3.286 3.839 . 0 0 "[ . 1 . 2]" 1 2379 1 97 PHE HB3 1 98 LYS H . . 3.680 3.323 2.860 3.578 . 0 0 "[ . 1 . 2]" 1 2380 1 97 PHE HB3 1 99 VAL MG2 . . 4.020 2.920 2.773 3.370 . 0 0 "[ . 1 . 2]" 1 2381 1 97 PHE QD 1 98 LYS H . . 4.290 4.065 3.633 4.274 . 0 0 "[ . 1 . 2]" 1 2382 1 97 PHE QD 1 99 VAL MG2 . . 5.360 4.337 4.204 4.785 . 0 0 "[ . 1 . 2]" 1 2383 1 98 LYS H 1 98 LYS HB2 . . 3.760 3.135 2.318 3.681 . 0 0 "[ . 1 . 2]" 1 2384 1 98 LYS H 1 98 LYS QB . . 2.930 2.540 2.291 2.786 . 0 0 "[ . 1 . 2]" 1 2385 1 98 LYS H 1 98 LYS HB3 . . 3.760 3.086 2.616 3.657 . 0 0 "[ . 1 . 2]" 1 2386 1 98 LYS H 1 98 LYS QD . . 4.000 3.378 2.089 3.876 . 0 0 "[ . 1 . 2]" 1 2387 1 98 LYS H 1 98 LYS HG2 . . 4.260 2.777 1.902 4.248 . 0 0 "[ . 1 . 2]" 1 2388 1 98 LYS H 1 98 LYS QG . . 3.490 2.254 1.893 3.332 . 0 0 "[ . 1 . 2]" 1 2389 1 98 LYS H 1 98 LYS HG3 . . 4.260 3.192 2.451 3.550 . 0 0 "[ . 1 . 2]" 1 2390 1 98 LYS H 1 99 VAL MG2 . . 4.480 4.051 3.888 4.213 . 0 0 "[ . 1 . 2]" 1 2391 1 98 LYS HA 1 98 LYS QD . . 4.470 4.166 3.427 4.460 . 0 0 "[ . 1 . 2]" 1 2392 1 98 LYS HA 1 98 LYS HG2 . . 4.230 3.306 2.630 3.643 . 0 0 "[ . 1 . 2]" 1 2393 1 98 LYS HA 1 98 LYS QG . . 3.620 2.971 2.308 3.343 . 0 0 "[ . 1 . 2]" 1 2394 1 98 LYS HA 1 98 LYS HG3 . . 4.230 3.424 2.341 3.939 . 0 0 "[ . 1 . 2]" 1 2395 1 98 LYS HA 1 99 VAL H . . 2.700 2.158 2.141 2.208 . 0 0 "[ . 1 . 2]" 1 2396 1 98 LYS HA 1 99 VAL HA . . 4.870 4.399 4.392 4.427 . 0 0 "[ . 1 . 2]" 1 2397 1 98 LYS HA 1 100 LYS H . . 5.500 5.398 5.325 5.503 0.003 17 0 "[ . 1 . 2]" 1 2398 1 98 LYS QB 1 99 VAL H . . 4.390 3.499 3.111 3.684 . 0 0 "[ . 1 . 2]" 1 2399 1 98 LYS QB 1 99 VAL HA . . 4.970 4.392 4.091 4.650 . 0 0 "[ . 1 . 2]" 1 2400 1 98 LYS HB2 1 98 LYS QE . . 4.550 3.462 2.324 4.312 . 0 0 "[ . 1 . 2]" 1 2401 1 98 LYS HB3 1 98 LYS QE . . 4.550 3.423 2.046 4.297 . 0 0 "[ . 1 . 2]" 1 2402 1 98 LYS HG2 1 99 VAL H . . 4.960 4.784 4.509 4.994 0.034 17 0 "[ . 1 . 2]" 1 2403 1 98 LYS HG3 1 99 VAL H . . 4.960 4.786 4.269 4.934 . 0 0 "[ . 1 . 2]" 1 2404 1 99 VAL H 1 99 VAL HB . . 3.210 2.637 2.528 2.727 . 0 0 "[ . 1 . 2]" 1 2405 1 99 VAL H 1 99 VAL MG2 . . 3.280 2.812 2.608 3.031 . 0 0 "[ . 1 . 2]" 1 2406 1 99 VAL H 1 100 LYS HA . . 5.050 4.736 4.560 4.952 . 0 0 "[ . 1 . 2]" 1 2407 1 99 VAL HA 1 99 VAL MG1 . . 3.150 2.390 2.308 2.454 . 0 0 "[ . 1 . 2]" 1 2408 1 99 VAL HA 1 99 VAL MG2 . . 3.370 2.365 2.267 2.435 . 0 0 "[ . 1 . 2]" 1 2409 1 99 VAL HA 1 100 LYS H . . 2.580 2.173 2.157 2.182 . 0 0 "[ . 1 . 2]" 1 2410 1 99 VAL HA 1 100 LYS HA . . 4.510 4.432 4.419 4.440 . 0 0 "[ . 1 . 2]" 1 2411 1 99 VAL HA 1 100 LYS HB2 . . 5.070 4.676 4.499 4.814 . 0 0 "[ . 1 . 2]" 1 2412 1 99 VAL HA 1 100 LYS QB . . 4.250 4.146 4.121 4.159 . 0 0 "[ . 1 . 2]" 1 2413 1 99 VAL HA 1 100 LYS HB3 . . 5.070 4.641 4.505 4.824 . 0 0 "[ . 1 . 2]" 1 2414 1 99 VAL HB 1 100 LYS HA . . 5.350 5.055 4.982 5.097 . 0 0 "[ . 1 . 2]" 1 2415 1 99 VAL HB 1 101 VAL MG2 . . 4.060 3.860 3.691 4.035 . 0 0 "[ . 1 . 2]" 1 2416 1 99 VAL MG1 1 100 LYS H . . 3.170 3.039 2.903 3.143 . 0 0 "[ . 1 . 2]" 1 2417 1 99 VAL MG1 1 100 LYS HA . . 4.230 4.054 3.983 4.180 . 0 0 "[ . 1 . 2]" 1 2418 1 99 VAL MG1 1 101 VAL HA . . 4.400 3.598 3.497 3.666 . 0 0 "[ . 1 . 2]" 1 2419 1 100 LYS H 1 100 LYS HB2 . . 3.130 2.674 2.502 2.807 . 0 0 "[ . 1 . 2]" 1 2420 1 100 LYS H 1 100 LYS HB3 . . 3.130 2.488 2.357 2.664 . 0 0 "[ . 1 . 2]" 1 2421 1 100 LYS H 1 100 LYS HG2 . . 4.660 4.415 4.317 4.512 . 0 0 "[ . 1 . 2]" 1 2422 1 100 LYS H 1 100 LYS HG3 . . 4.660 4.547 4.455 4.647 . 0 0 "[ . 1 . 2]" 1 2423 1 100 LYS H 1 101 VAL HA . . 5.500 5.156 5.092 5.207 . 0 0 "[ . 1 . 2]" 1 2424 1 100 LYS H 1 101 VAL MG2 . . 4.890 4.805 4.717 4.891 0.001 4 0 "[ . 1 . 2]" 1 2425 1 100 LYS HA 1 100 LYS QD . . 4.240 4.048 3.796 4.212 . 0 0 "[ . 1 . 2]" 1 2426 1 100 LYS HA 1 100 LYS HG2 . . 4.100 3.013 2.689 3.362 . 0 0 "[ . 1 . 2]" 1 2427 1 100 LYS HA 1 100 LYS QG . . 3.420 2.477 2.385 2.614 . 0 0 "[ . 1 . 2]" 1 2428 1 100 LYS HA 1 100 LYS HG3 . . 4.100 2.667 2.453 2.964 . 0 0 "[ . 1 . 2]" 1 2429 1 100 LYS HA 1 101 VAL H . . 2.760 2.188 2.161 2.226 . 0 0 "[ . 1 . 2]" 1 2430 1 100 LYS HA 1 101 VAL HA . . 4.950 4.454 4.428 4.486 . 0 0 "[ . 1 . 2]" 1 2431 1 100 LYS HA 1 101 VAL HB . . 4.790 4.677 4.635 4.748 . 0 0 "[ . 1 . 2]" 1 2432 1 100 LYS HA 1 101 VAL MG2 . . 4.600 3.776 3.611 3.960 . 0 0 "[ . 1 . 2]" 1 2433 1 100 LYS QB 1 100 LYS QE . . 3.740 3.082 2.047 3.676 . 0 0 "[ . 1 . 2]" 1 2434 1 100 LYS QB 1 101 VAL H . . 4.010 3.970 3.927 4.007 . 0 0 "[ . 1 . 2]" 1 2435 1 100 LYS HB2 1 101 VAL H . . 4.570 4.490 4.369 4.550 . 0 0 "[ . 1 . 2]" 1 2436 1 100 LYS HB3 1 101 VAL H . . 4.570 4.426 4.314 4.483 . 0 0 "[ . 1 . 2]" 1 2437 1 100 LYS QD 1 102 LEU MD2 . . 4.190 3.617 2.308 4.163 . 0 0 "[ . 1 . 2]" 1 2438 1 100 LYS QE 1 100 LYS HG2 . . 3.660 2.482 2.081 3.253 . 0 0 "[ . 1 . 2]" 1 2439 1 100 LYS QE 1 100 LYS HG3 . . 3.660 2.810 2.084 3.494 . 0 0 "[ . 1 . 2]" 1 2440 1 100 LYS QE 1 102 LEU MD2 . . 3.780 3.012 1.987 3.781 0.001 5 0 "[ . 1 . 2]" 1 2441 1 100 LYS QG 1 101 VAL H . . 3.850 3.377 3.189 3.545 . 0 0 "[ . 1 . 2]" 1 2442 1 100 LYS HG2 1 101 VAL H . . 4.430 3.692 3.322 4.109 . 0 0 "[ . 1 . 2]" 1 2443 1 100 LYS HG3 1 101 VAL H . . 4.430 4.012 3.511 4.311 . 0 0 "[ . 1 . 2]" 1 2444 1 101 VAL H 1 101 VAL HB . . 3.120 2.567 2.518 2.623 . 0 0 "[ . 1 . 2]" 1 2445 1 101 VAL H 1 101 VAL MG1 . . 3.900 3.770 3.766 3.779 . 0 0 "[ . 1 . 2]" 1 2446 1 101 VAL H 1 101 VAL MG2 . . 3.130 2.126 1.895 2.357 . 0 0 "[ . 1 . 2]" 1 2447 1 101 VAL H 1 102 LEU H . . 4.740 4.618 4.583 4.632 . 0 0 "[ . 1 . 2]" 1 2448 1 101 VAL HA 1 101 VAL MG1 . . 3.240 2.329 2.277 2.421 . 0 0 "[ . 1 . 2]" 1 2449 1 101 VAL HA 1 101 VAL MG2 . . 3.320 2.426 2.286 2.495 . 0 0 "[ . 1 . 2]" 1 2450 1 101 VAL HA 1 102 LEU H . . 2.820 2.245 2.193 2.295 . 0 0 "[ . 1 . 2]" 1 2451 1 101 VAL HA 1 102 LEU HB2 . . 4.480 4.391 4.351 4.460 . 0 0 "[ . 1 . 2]" 1 2452 1 101 VAL HA 1 102 LEU MD1 . . 5.450 4.895 4.710 5.058 . 0 0 "[ . 1 . 2]" 1 2453 1 101 VAL HA 1 102 LEU MD2 . . 5.500 5.015 4.903 5.114 . 0 0 "[ . 1 . 2]" 1 2454 1 101 VAL HA 1 102 LEU HG . . 4.110 3.984 3.885 4.103 . 0 0 "[ . 1 . 2]" 1 2455 1 101 VAL HB 1 102 LEU H . . 4.730 3.865 3.754 3.981 . 0 0 "[ . 1 . 2]" 1 2456 1 101 VAL MG1 1 102 LEU H . . 3.470 2.180 1.905 2.400 . 0 0 "[ . 1 . 2]" 1 2457 1 101 VAL MG2 1 102 LEU H . . 4.090 3.929 3.862 4.020 . 0 0 "[ . 1 . 2]" 1 2458 1 102 LEU H 1 102 LEU HB2 . . 3.300 2.448 2.400 2.507 . 0 0 "[ . 1 . 2]" 1 2459 1 102 LEU H 1 102 LEU HB3 . . 4.090 3.661 3.632 3.698 . 0 0 "[ . 1 . 2]" 1 2460 1 102 LEU H 1 102 LEU MD1 . . 3.980 3.898 3.707 3.980 . 0 0 "[ . 1 . 2]" 1 2461 1 102 LEU H 1 102 LEU MD2 . . 4.130 4.082 3.983 4.132 0.002 17 0 "[ . 1 . 2]" 1 2462 1 102 LEU H 1 102 LEU HG . . 3.240 3.158 2.998 3.241 0.001 17 0 "[ . 1 . 2]" 1 2463 1 102 LEU H 1 103 PRO HD2 . . 4.940 4.804 4.797 4.812 . 0 0 "[ . 1 . 2]" 1 2464 1 102 LEU H 1 103 PRO HD3 . . 5.330 5.026 5.000 5.042 . 0 0 "[ . 1 . 2]" 1 2465 1 102 LEU HA 1 102 LEU MD1 . . 4.060 3.870 3.856 3.894 . 0 0 "[ . 1 . 2]" 1 2466 1 102 LEU HA 1 102 LEU MD2 . . 2.980 2.088 1.977 2.368 . 0 0 "[ . 1 . 2]" 1 2467 1 102 LEU HA 1 102 LEU HG . . 4.050 2.868 2.815 2.945 . 0 0 "[ . 1 . 2]" 1 2468 1 102 LEU HA 1 103 PRO HD2 . . 3.110 2.420 2.401 2.437 . 0 0 "[ . 1 . 2]" 1 2469 1 102 LEU HA 1 103 PRO HD3 . . 2.980 2.308 2.301 2.315 . 0 0 "[ . 1 . 2]" 1 2470 1 102 LEU HA 1 103 PRO HG2 . . 4.680 4.529 4.512 4.543 . 0 0 "[ . 1 . 2]" 1 2471 1 102 LEU HA 1 103 PRO HG3 . . 4.650 4.485 4.472 4.496 . 0 0 "[ . 1 . 2]" 1 2472 1 102 LEU HB2 1 102 LEU MD1 . . 2.980 2.247 2.105 2.334 . 0 0 "[ . 1 . 2]" 1 2473 1 102 LEU HB2 1 102 LEU MD2 . . 3.200 3.177 3.160 3.186 . 0 0 "[ . 1 . 2]" 1 2474 1 102 LEU HB2 1 103 PRO HD2 . . 3.680 3.633 3.611 3.662 . 0 0 "[ . 1 . 2]" 1 2475 1 102 LEU HB2 1 103 PRO HD3 . . 4.730 4.702 4.687 4.721 . 0 0 "[ . 1 . 2]" 1 2476 1 102 LEU HB2 1 103 PRO HG2 . . 5.500 5.356 5.312 5.388 . 0 0 "[ . 1 . 2]" 1 2477 1 102 LEU HB3 1 102 LEU MD1 . . 3.060 2.458 2.347 2.569 . 0 0 "[ . 1 . 2]" 1 2478 1 102 LEU HB3 1 102 LEU MD2 . . 3.240 2.291 2.125 2.357 . 0 0 "[ . 1 . 2]" 1 2479 1 102 LEU HB3 1 103 PRO HD2 . . 3.250 2.020 1.998 2.058 . 0 0 "[ . 1 . 2]" 1 2480 1 102 LEU HB3 1 103 PRO HD3 . . 3.560 3.463 3.444 3.495 . 0 0 "[ . 1 . 2]" 1 2481 1 102 LEU HB3 1 103 PRO HG2 . . 4.430 3.744 3.722 3.773 . 0 0 "[ . 1 . 2]" 1 2482 1 102 LEU MD1 1 103 PRO HD2 . . 4.750 3.822 3.698 3.989 . 0 0 "[ . 1 . 2]" 1 2483 1 102 LEU MD2 1 103 PRO HD2 . . 3.400 2.126 1.975 2.347 . 0 0 "[ . 1 . 2]" 1 2484 1 102 LEU MD2 1 103 PRO HD3 . . 3.520 2.797 2.639 3.050 . 0 0 "[ . 1 . 2]" 1 2485 1 103 PRO HA 1 104 THR H . . 2.660 2.151 2.150 2.159 . 0 0 "[ . 1 . 2]" 1 2486 1 103 PRO HA 1 104 THR HA . . 4.690 4.400 4.391 4.427 . 0 0 "[ . 1 . 2]" 1 2487 1 103 PRO HA 1 104 THR HB . . 4.660 4.580 4.497 4.621 . 0 0 "[ . 1 . 2]" 1 2488 1 103 PRO HA 1 105 TYR H . . 4.500 3.734 3.611 3.801 . 0 0 "[ . 1 . 2]" 1 2489 1 103 PRO QB 1 104 THR H . . 3.510 3.426 3.398 3.518 0.008 17 0 "[ . 1 . 2]" 1 2490 1 103 PRO QB 1 105 TYR H . . 3.750 2.612 2.485 2.689 . 0 0 "[ . 1 . 2]" 1 2491 1 103 PRO HB2 1 104 THR H . . 4.190 3.674 3.639 3.786 . 0 0 "[ . 1 . 2]" 1 2492 1 103 PRO HB2 1 105 TYR H . . 4.270 2.639 2.508 2.722 . 0 0 "[ . 1 . 2]" 1 2493 1 103 PRO HB3 1 104 THR H . . 4.190 4.097 4.073 4.176 . 0 0 "[ . 1 . 2]" 1 2494 1 103 PRO HB3 1 105 TYR H . . 4.270 4.168 4.044 4.239 . 0 0 "[ . 1 . 2]" 1 2495 1 104 THR H 1 104 THR HB . . 3.020 2.669 2.534 2.728 . 0 0 "[ . 1 . 2]" 1 2496 1 104 THR H 1 104 THR MG . . 3.800 3.788 3.778 3.793 . 0 0 "[ . 1 . 2]" 1 2497 1 104 THR H 1 105 TYR H . . 3.420 2.966 2.903 3.000 . 0 0 "[ . 1 . 2]" 1 2498 1 104 THR H 1 105 TYR QD . . 5.040 4.367 3.932 4.959 . 0 0 "[ . 1 . 2]" 1 2499 1 104 THR HA 1 104 THR MG . . 3.100 2.466 2.423 2.521 . 0 0 "[ . 1 . 2]" 1 2500 1 104 THR HA 1 105 TYR HA . . 4.810 4.620 4.553 4.717 . 0 0 "[ . 1 . 2]" 1 2501 1 104 THR HB 1 105 TYR H . . 3.150 2.840 2.742 3.008 . 0 0 "[ . 1 . 2]" 1 2502 1 104 THR HB 1 105 TYR HA . . 5.230 4.518 4.334 4.714 . 0 0 "[ . 1 . 2]" 1 2503 1 104 THR HB 1 105 TYR QD . . 3.960 2.725 2.294 3.869 . 0 0 "[ . 1 . 2]" 1 2504 1 104 THR MG 1 105 TYR H . . 3.770 3.535 3.422 3.659 . 0 0 "[ . 1 . 2]" 1 2505 1 104 THR MG 1 105 TYR HA . . 3.560 3.491 3.376 3.561 0.001 11 0 "[ . 1 . 2]" 1 2506 1 104 THR MG 1 105 TYR QD . . 3.930 3.112 2.100 3.628 . 0 0 "[ . 1 . 2]" 1 2507 1 104 THR MG 1 105 TYR QE . . 3.760 3.322 2.481 3.754 . 0 0 "[ . 1 . 2]" 1 2508 1 105 TYR H 1 105 TYR HB2 . . 3.810 2.439 2.224 2.750 . 0 0 "[ . 1 . 2]" 1 2509 1 105 TYR H 1 105 TYR QB . . 3.030 2.401 2.201 2.686 . 0 0 "[ . 1 . 2]" 1 2510 1 105 TYR H 1 105 TYR HB3 . . 3.810 3.618 3.517 3.760 . 0 0 "[ . 1 . 2]" 1 2511 1 105 TYR H 1 105 TYR QD . . 3.810 2.508 2.089 3.102 . 0 0 "[ . 1 . 2]" 1 2512 1 105 TYR H 1 106 ASP H . . 4.630 4.316 3.086 4.591 . 0 0 "[ . 1 . 2]" 1 2513 1 105 TYR HA 1 105 TYR QD . . 3.410 2.953 2.421 3.143 . 0 0 "[ . 1 . 2]" 1 2514 1 105 TYR HA 1 105 TYR QE . . 5.130 4.626 4.486 4.874 . 0 0 "[ . 1 . 2]" 1 2515 1 105 TYR HA 1 106 ASP H . . 3.150 2.338 2.137 2.819 . 0 0 "[ . 1 . 2]" 1 2516 1 105 TYR QB 1 106 ASP H . . 3.840 3.003 2.310 3.892 0.052 17 0 "[ . 1 . 2]" 1 2517 1 105 TYR QD 1 106 ASP H . . 4.720 4.152 3.362 4.710 . 0 0 "[ . 1 . 2]" 1 2518 1 106 ASP H 1 106 ASP HB2 . . 3.780 3.093 2.367 3.728 . 0 0 "[ . 1 . 2]" 1 2519 1 106 ASP H 1 106 ASP QB . . 3.260 2.657 2.219 3.308 0.048 10 0 "[ . 1 . 2]" 1 2520 1 106 ASP H 1 106 ASP HB3 . . 3.780 3.098 2.305 3.808 0.028 10 0 "[ . 1 . 2]" 1 2521 1 106 ASP H 1 107 ALA H . . 4.880 3.831 2.180 4.486 . 0 0 "[ . 1 . 2]" 1 2522 1 106 ASP HA 1 107 ALA H . . 3.160 2.396 2.139 3.183 0.023 15 0 "[ . 1 . 2]" 1 2523 1 106 ASP HA 1 108 SER H . . 4.990 4.461 3.354 4.988 . 0 0 "[ . 1 . 2]" 1 2524 1 106 ASP QB 1 107 ALA H . . 3.840 3.659 3.089 3.858 0.018 15 0 "[ . 1 . 2]" 1 2525 1 106 ASP QB 1 108 SER H . . 4.540 3.767 2.913 4.450 . 0 0 "[ . 1 . 2]" 1 2526 1 106 ASP HB2 1 107 ALA H . . 4.560 4.134 3.427 4.551 . 0 0 "[ . 1 . 2]" 1 2527 1 106 ASP HB3 1 107 ALA H . . 4.560 4.169 3.290 4.574 0.014 15 0 "[ . 1 . 2]" 1 2528 1 107 ALA H 1 107 ALA MB . . 3.270 2.265 2.044 2.786 . 0 0 "[ . 1 . 2]" 1 2529 1 107 ALA H 1 108 SER H . . 4.510 3.512 2.851 4.178 . 0 0 "[ . 1 . 2]" 1 2530 1 107 ALA HA 1 108 SER H . . 3.190 2.546 2.232 2.853 . 0 0 "[ . 1 . 2]" 1 2531 1 107 ALA MB 1 108 SER H . . 4.060 3.662 3.560 3.712 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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