NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
414499 | 2cte | 11139 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cte 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 1719 _Distance_constraint_stats_list.Viol_count 603 _Distance_constraint_stats_list.Viol_total 103.871 _Distance_constraint_stats_list.Viol_max 0.088 _Distance_constraint_stats_list.Viol_rms 0.0024 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0086 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ILE 0.106 0.088 18 0 "[ . 1 . 2]" 1 10 VAL 0.026 0.018 3 0 "[ . 1 . 2]" 1 11 ALA 0.008 0.004 7 0 "[ . 1 . 2]" 1 12 ARG 0.002 0.001 19 0 "[ . 1 . 2]" 1 13 LEU 0.002 0.002 17 0 "[ . 1 . 2]" 1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 THR 0.014 0.007 3 0 "[ . 1 . 2]" 1 16 GLN 0.018 0.007 3 0 "[ . 1 . 2]" 1 17 ALA 0.020 0.009 9 0 "[ . 1 . 2]" 1 18 SER 0.107 0.017 9 0 "[ . 1 . 2]" 1 19 ALA 0.148 0.017 9 0 "[ . 1 . 2]" 1 20 THR 0.721 0.045 9 0 "[ . 1 . 2]" 1 21 VAL 0.109 0.027 6 0 "[ . 1 . 2]" 1 22 ALA 0.059 0.019 15 0 "[ . 1 . 2]" 1 23 ILE 0.271 0.025 17 0 "[ . 1 . 2]" 1 24 PRO 0.036 0.010 15 0 "[ . 1 . 2]" 1 25 LYS 0.151 0.014 5 0 "[ . 1 . 2]" 1 26 GLU 0.279 0.047 7 0 "[ . 1 . 2]" 1 27 HIS 0.173 0.025 17 0 "[ . 1 . 2]" 1 28 HIS 0.038 0.007 19 0 "[ . 1 . 2]" 1 29 ARG 0.001 0.001 7 0 "[ . 1 . 2]" 1 30 PHE 0.004 0.003 2 0 "[ . 1 . 2]" 1 31 VAL 0.003 0.002 15 0 "[ . 1 . 2]" 1 32 ILE 0.014 0.006 18 0 "[ . 1 . 2]" 1 33 GLY 0.003 0.002 2 0 "[ . 1 . 2]" 1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 GLY 0.002 0.001 19 0 "[ . 1 . 2]" 1 37 GLU 0.026 0.008 16 0 "[ . 1 . 2]" 1 38 LYS 0.141 0.039 13 0 "[ . 1 . 2]" 1 39 LEU 0.108 0.036 13 0 "[ . 1 . 2]" 1 40 GLN 0.142 0.039 13 0 "[ . 1 . 2]" 1 41 ASP 0.006 0.005 18 0 "[ . 1 . 2]" 1 42 LEU 0.015 0.006 13 0 "[ . 1 . 2]" 1 43 GLU 0.007 0.006 13 0 "[ . 1 . 2]" 1 44 LEU 0.182 0.027 20 0 "[ . 1 . 2]" 1 45 LYS 0.001 0.001 2 0 "[ . 1 . 2]" 1 46 THR 0.013 0.009 18 0 "[ . 1 . 2]" 1 47 ALA 0.001 0.001 5 0 "[ . 1 . 2]" 1 48 THR 0.063 0.009 18 0 "[ . 1 . 2]" 1 49 LYS 0.061 0.021 15 0 "[ . 1 . 2]" 1 50 ILE 0.074 0.021 15 0 "[ . 1 . 2]" 1 51 GLN 0.019 0.005 15 0 "[ . 1 . 2]" 1 52 ILE 0.063 0.011 9 0 "[ . 1 . 2]" 1 53 PRO 0.030 0.012 15 0 "[ . 1 . 2]" 1 54 ARG 0.151 0.014 5 0 "[ . 1 . 2]" 1 55 PRO 0.110 0.014 5 0 "[ . 1 . 2]" 1 56 ASP 0.018 0.011 17 0 "[ . 1 . 2]" 1 57 ASP 0.002 0.002 16 0 "[ . 1 . 2]" 1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 SER 0.105 0.017 16 0 "[ . 1 . 2]" 1 60 ASN 0.132 0.012 15 0 "[ . 1 . 2]" 1 61 GLN 0.243 0.024 9 0 "[ . 1 . 2]" 1 62 ILE 0.232 0.013 15 0 "[ . 1 . 2]" 1 63 LYS 1.808 0.087 6 0 "[ . 1 . 2]" 1 64 ILE 2.060 0.087 6 0 "[ . 1 . 2]" 1 65 THR 0.013 0.005 4 0 "[ . 1 . 2]" 1 66 GLY 0.057 0.009 9 0 "[ . 1 . 2]" 1 67 THR 0.009 0.003 16 0 "[ . 1 . 2]" 1 68 LYS 0.367 0.087 4 0 "[ . 1 . 2]" 1 69 GLU 0.015 0.005 16 0 "[ . 1 . 2]" 1 70 GLY 0.015 0.004 4 0 "[ . 1 . 2]" 1 71 ILE 0.048 0.009 2 0 "[ . 1 . 2]" 1 72 GLU 0.020 0.004 8 0 "[ . 1 . 2]" 1 73 LYS 0.026 0.007 9 0 "[ . 1 . 2]" 1 74 ALA 0.040 0.026 8 0 "[ . 1 . 2]" 1 75 ARG 0.208 0.055 8 0 "[ . 1 . 2]" 1 76 HIS 0.103 0.016 8 0 "[ . 1 . 2]" 1 77 GLU 0.007 0.003 8 0 "[ . 1 . 2]" 1 78 VAL 0.009 0.002 3 0 "[ . 1 . 2]" 1 79 LEU 0.003 0.003 3 0 "[ . 1 . 2]" 1 80 LEU 0.004 0.002 8 0 "[ . 1 . 2]" 1 81 ILE 0.003 0.002 8 0 "[ . 1 . 2]" 1 82 SER 0.005 0.003 15 0 "[ . 1 . 2]" 1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 GLU 0.024 0.023 12 0 "[ . 1 . 2]" 1 85 GLN 0.026 0.012 12 0 "[ . 1 . 2]" 1 86 ASP 0.012 0.012 12 0 "[ . 1 . 2]" 1 87 LYS 0.051 0.023 12 0 "[ . 1 . 2]" 1 88 ARG 0.029 0.022 8 0 "[ . 1 . 2]" 1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 PRO 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 8 ASP HA 1 9 ILE H . . 3.280 2.294 2.139 2.799 . 0 0 "[ . 1 . 2]" 1 2 1 8 ASP HB2 1 9 ILE H . . 4.720 4.171 3.111 4.646 . 0 0 "[ . 1 . 2]" 1 3 1 8 ASP HB3 1 9 ILE H . . 4.720 3.768 2.372 4.632 . 0 0 "[ . 1 . 2]" 1 4 1 9 ILE H 1 9 ILE HB . . 3.690 2.920 2.402 3.708 0.018 3 0 "[ . 1 . 2]" 1 5 1 9 ILE H 1 9 ILE HG12 . . 4.080 3.371 2.370 4.079 . 0 0 "[ . 1 . 2]" 1 6 1 9 ILE H 1 9 ILE HG13 . . 4.080 3.021 1.967 3.973 . 0 0 "[ . 1 . 2]" 1 7 1 9 ILE H 1 9 ILE MG . . 4.170 3.293 1.875 3.972 . 0 0 "[ . 1 . 2]" 1 8 1 9 ILE HA 1 9 ILE MD . . 3.970 3.370 1.971 4.058 0.088 18 0 "[ . 1 . 2]" 1 9 1 9 ILE HA 1 10 VAL H . . 3.160 2.247 2.140 2.801 . 0 0 "[ . 1 . 2]" 1 10 1 9 ILE HB 1 10 VAL H . . 4.220 3.678 2.361 4.220 . 0 0 "[ . 1 . 2]" 1 11 1 9 ILE MG 1 10 VAL H . . 4.110 2.892 1.973 4.071 . 0 0 "[ . 1 . 2]" 1 12 1 10 VAL H 1 10 VAL HB . . 3.670 3.079 2.380 3.688 0.018 3 0 "[ . 1 . 2]" 1 13 1 10 VAL H 1 10 VAL MG1 . . 4.100 2.866 2.002 3.904 . 0 0 "[ . 1 . 2]" 1 14 1 10 VAL H 1 10 VAL QG . . 3.590 2.282 1.827 2.915 . 0 0 "[ . 1 . 2]" 1 15 1 10 VAL H 1 10 VAL MG2 . . 4.100 2.890 1.878 3.987 . 0 0 "[ . 1 . 2]" 1 16 1 10 VAL HA 1 11 ALA H . . 3.370 2.373 2.141 3.374 0.004 16 0 "[ . 1 . 2]" 1 17 1 10 VAL HB 1 11 ALA H . . 4.410 3.930 2.350 4.414 0.004 7 0 "[ . 1 . 2]" 1 18 1 10 VAL QG 1 11 ALA H . . 4.340 2.797 1.987 3.618 . 0 0 "[ . 1 . 2]" 1 19 1 10 VAL MG1 1 11 ALA H . . 5.120 3.616 2.614 4.369 . 0 0 "[ . 1 . 2]" 1 20 1 10 VAL MG2 1 11 ALA H . . 5.120 3.279 1.995 4.174 . 0 0 "[ . 1 . 2]" 1 21 1 11 ALA H 1 11 ALA MB . . 3.520 2.580 2.055 2.885 . 0 0 "[ . 1 . 2]" 1 22 1 11 ALA MB 1 12 ARG H . . 4.550 2.959 2.167 3.704 . 0 0 "[ . 1 . 2]" 1 23 1 12 ARG H 1 12 ARG HG2 . . 4.650 3.789 2.136 4.651 0.001 19 0 "[ . 1 . 2]" 1 24 1 12 ARG H 1 12 ARG HG3 . . 4.650 3.894 2.859 4.573 . 0 0 "[ . 1 . 2]" 1 25 1 12 ARG HA 1 12 ARG QD . . 5.070 3.444 1.979 4.437 . 0 0 "[ . 1 . 2]" 1 26 1 12 ARG HA 1 12 ARG HG2 . . 3.940 2.992 2.222 3.823 . 0 0 "[ . 1 . 2]" 1 27 1 12 ARG HA 1 12 ARG HG3 . . 3.940 3.106 2.282 3.841 . 0 0 "[ . 1 . 2]" 1 28 1 12 ARG HA 1 13 LEU H . . 3.370 2.259 2.141 2.526 . 0 0 "[ . 1 . 2]" 1 29 1 12 ARG HB2 1 12 ARG QD . . 3.910 2.707 2.201 3.507 . 0 0 "[ . 1 . 2]" 1 30 1 12 ARG HB2 1 13 LEU H . . 4.550 3.960 2.194 4.523 . 0 0 "[ . 1 . 2]" 1 31 1 12 ARG HB3 1 12 ARG QD . . 3.910 2.619 2.164 3.289 . 0 0 "[ . 1 . 2]" 1 32 1 12 ARG HB3 1 13 LEU H . . 4.550 3.471 2.314 4.431 . 0 0 "[ . 1 . 2]" 1 33 1 12 ARG QG 1 13 LEU H . . 4.680 3.539 1.883 4.631 . 0 0 "[ . 1 . 2]" 1 34 1 13 LEU H 1 13 LEU QB . . 3.380 2.605 2.221 3.009 . 0 0 "[ . 1 . 2]" 1 35 1 13 LEU H 1 13 LEU QD . . 4.740 2.667 1.820 3.724 . 0 0 "[ . 1 . 2]" 1 36 1 13 LEU H 1 13 LEU HG . . 3.570 2.948 1.974 3.572 0.002 17 0 "[ . 1 . 2]" 1 37 1 13 LEU HA 1 13 LEU MD1 . . 4.260 3.855 3.255 4.099 . 0 0 "[ . 1 . 2]" 1 38 1 13 LEU HA 1 13 LEU QD . . 3.410 2.791 1.970 3.409 . 0 0 "[ . 1 . 2]" 1 39 1 13 LEU HA 1 13 LEU MD2 . . 4.260 2.990 1.976 4.010 . 0 0 "[ . 1 . 2]" 1 40 1 13 LEU HA 1 13 LEU HG . . 4.060 3.162 2.492 3.713 . 0 0 "[ . 1 . 2]" 1 41 1 14 GLN H 1 14 GLN QG . . 4.950 3.243 1.904 4.089 . 0 0 "[ . 1 . 2]" 1 42 1 15 THR HA 1 15 THR MG . . 3.380 2.305 2.148 3.197 . 0 0 "[ . 1 . 2]" 1 43 1 15 THR HA 1 16 GLN H . . 3.250 2.468 2.246 2.623 . 0 0 "[ . 1 . 2]" 1 44 1 15 THR HA 1 16 GLN QB . . 5.160 4.449 4.150 4.760 . 0 0 "[ . 1 . 2]" 1 45 1 15 THR HB 1 16 GLN H . . 3.810 2.592 1.925 3.807 . 0 0 "[ . 1 . 2]" 1 46 1 15 THR HB 1 16 GLN QB . . 5.340 4.536 3.440 5.340 . 0 0 "[ . 1 . 2]" 1 47 1 15 THR MG 1 16 GLN H . . 4.540 3.112 1.885 3.569 . 0 0 "[ . 1 . 2]" 1 48 1 15 THR MG 1 16 GLN HA . . 5.440 5.090 4.088 5.447 0.007 3 0 "[ . 1 . 2]" 1 49 1 16 GLN H 1 16 GLN QB . . 3.500 2.449 2.211 2.949 . 0 0 "[ . 1 . 2]" 1 50 1 16 GLN H 1 16 GLN HG2 . . 4.590 3.089 1.934 4.090 . 0 0 "[ . 1 . 2]" 1 51 1 16 GLN H 1 16 GLN HG3 . . 4.590 3.520 2.638 4.476 . 0 0 "[ . 1 . 2]" 1 52 1 16 GLN H 1 17 ALA H . . 4.800 4.527 4.331 4.646 . 0 0 "[ . 1 . 2]" 1 53 1 16 GLN HA 1 16 GLN QG . . 3.710 2.579 2.195 3.333 . 0 0 "[ . 1 . 2]" 1 54 1 16 GLN HA 1 17 ALA H . . 2.850 2.258 2.155 2.403 . 0 0 "[ . 1 . 2]" 1 55 1 16 GLN HA 1 17 ALA MB . . 4.290 3.886 3.795 3.937 . 0 0 "[ . 1 . 2]" 1 56 1 16 GLN HA 1 65 THR MG . . 5.500 4.835 4.493 5.194 . 0 0 "[ . 1 . 2]" 1 57 1 16 GLN HA 1 66 GLY H . . 5.400 5.141 4.638 5.403 0.003 9 0 "[ . 1 . 2]" 1 58 1 16 GLN QB 1 17 ALA H . . 3.560 2.812 2.394 3.156 . 0 0 "[ . 1 . 2]" 1 59 1 16 GLN QB 1 65 THR MG . . 3.730 2.892 2.530 3.173 . 0 0 "[ . 1 . 2]" 1 60 1 16 GLN QB 1 66 GLY H . . 4.140 3.737 2.948 4.120 . 0 0 "[ . 1 . 2]" 1 61 1 16 GLN HB2 1 17 ALA H . . 4.250 3.974 2.425 4.244 . 0 0 "[ . 1 . 2]" 1 62 1 16 GLN HB2 1 65 THR MG . . 4.240 3.875 3.177 4.240 . 0 0 "[ . 1 . 2]" 1 63 1 16 GLN HB3 1 17 ALA H . . 4.250 2.936 2.452 3.699 . 0 0 "[ . 1 . 2]" 1 64 1 16 GLN HB3 1 65 THR MG . . 4.240 3.034 2.605 4.220 . 0 0 "[ . 1 . 2]" 1 65 1 16 GLN QE 1 65 THR MG . . 4.420 3.795 3.184 4.411 . 0 0 "[ . 1 . 2]" 1 66 1 16 GLN HE21 1 65 THR MG . . 5.040 4.264 3.254 5.039 . 0 0 "[ . 1 . 2]" 1 67 1 16 GLN HE21 1 67 THR MG . . 4.830 3.811 2.711 4.715 . 0 0 "[ . 1 . 2]" 1 68 1 16 GLN HE22 1 65 THR MG . . 5.040 4.434 3.585 4.943 . 0 0 "[ . 1 . 2]" 1 69 1 16 GLN HE22 1 67 THR MG . . 4.830 3.353 2.315 4.830 . 0 0 "[ . 1 . 2]" 1 70 1 16 GLN QG 1 17 ALA H . . 4.640 4.086 3.352 4.600 . 0 0 "[ . 1 . 2]" 1 71 1 17 ALA H 1 17 ALA MB . . 3.190 2.339 2.155 2.491 . 0 0 "[ . 1 . 2]" 1 72 1 17 ALA H 1 18 SER H . . 4.590 4.520 4.478 4.578 . 0 0 "[ . 1 . 2]" 1 73 1 17 ALA H 1 18 SER HA . . 5.500 5.089 4.955 5.281 . 0 0 "[ . 1 . 2]" 1 74 1 17 ALA H 1 65 THR HA . . 5.480 5.198 5.007 5.270 . 0 0 "[ . 1 . 2]" 1 75 1 17 ALA H 1 65 THR MG . . 4.580 3.975 3.723 4.243 . 0 0 "[ . 1 . 2]" 1 76 1 17 ALA H 1 66 GLY H . . 3.730 3.692 3.544 3.739 0.009 9 0 "[ . 1 . 2]" 1 77 1 17 ALA H 1 71 ILE MD . . 4.250 3.364 3.040 3.651 . 0 0 "[ . 1 . 2]" 1 78 1 17 ALA HA 1 18 SER H . . 2.690 2.389 2.253 2.471 . 0 0 "[ . 1 . 2]" 1 79 1 17 ALA HA 1 71 ILE MD . . 4.970 4.330 4.093 4.553 . 0 0 "[ . 1 . 2]" 1 80 1 17 ALA MB 1 18 SER H . . 2.970 2.513 2.265 2.775 . 0 0 "[ . 1 . 2]" 1 81 1 17 ALA MB 1 18 SER HA . . 4.310 3.852 3.775 3.954 . 0 0 "[ . 1 . 2]" 1 82 1 17 ALA MB 1 71 ILE MD . . 2.980 2.645 2.462 2.928 . 0 0 "[ . 1 . 2]" 1 83 1 18 SER H 1 18 SER HB2 . . 4.140 3.700 3.086 3.863 . 0 0 "[ . 1 . 2]" 1 84 1 18 SER H 1 18 SER QB . . 3.610 3.204 2.726 3.297 . 0 0 "[ . 1 . 2]" 1 85 1 18 SER H 1 18 SER HB3 . . 4.140 3.560 2.858 3.987 . 0 0 "[ . 1 . 2]" 1 86 1 18 SER H 1 19 ALA H . . 4.360 4.180 4.074 4.377 0.017 9 0 "[ . 1 . 2]" 1 87 1 18 SER H 1 19 ALA HA . . 4.850 4.689 4.619 4.764 . 0 0 "[ . 1 . 2]" 1 88 1 18 SER H 1 65 THR MG . . 5.010 4.337 4.034 4.549 . 0 0 "[ . 1 . 2]" 1 89 1 18 SER H 1 71 ILE MD . . 3.980 3.822 3.646 3.980 . 0 0 "[ . 1 . 2]" 1 90 1 18 SER H 1 71 ILE MG . . 5.500 5.327 5.104 5.496 . 0 0 "[ . 1 . 2]" 1 91 1 18 SER HA 1 19 ALA H . . 2.770 2.159 2.139 2.331 . 0 0 "[ . 1 . 2]" 1 92 1 18 SER HA 1 19 ALA MB . . 4.280 3.944 3.837 4.004 . 0 0 "[ . 1 . 2]" 1 93 1 18 SER HA 1 64 ILE H . . 4.960 4.627 4.522 4.790 . 0 0 "[ . 1 . 2]" 1 94 1 18 SER HA 1 64 ILE HG13 . . 5.470 4.564 4.409 4.693 . 0 0 "[ . 1 . 2]" 1 95 1 18 SER HA 1 65 THR H . . 5.140 4.728 4.593 4.839 . 0 0 "[ . 1 . 2]" 1 96 1 18 SER HA 1 65 THR HA . . 3.520 2.257 2.141 2.382 . 0 0 "[ . 1 . 2]" 1 97 1 18 SER HA 1 65 THR MG . . 4.290 3.117 2.889 3.380 . 0 0 "[ . 1 . 2]" 1 98 1 18 SER HA 1 66 GLY H . . 3.820 3.687 3.492 3.817 . 0 0 "[ . 1 . 2]" 1 99 1 18 SER HA 1 71 ILE MD . . 3.800 2.370 1.970 2.765 . 0 0 "[ . 1 . 2]" 1 100 1 18 SER HA 1 71 ILE HG12 . . 5.500 4.123 3.834 4.489 . 0 0 "[ . 1 . 2]" 1 101 1 18 SER QB 1 19 ALA H . . 3.380 3.221 3.003 3.395 0.015 9 0 "[ . 1 . 2]" 1 102 1 18 SER QB 1 63 LYS QD . . 4.460 3.829 2.382 4.353 . 0 0 "[ . 1 . 2]" 1 103 1 18 SER QB 1 64 ILE H . . 4.720 4.307 4.146 4.725 0.005 9 0 "[ . 1 . 2]" 1 104 1 18 SER HB2 1 19 ALA H . . 4.200 3.461 3.216 3.924 . 0 0 "[ . 1 . 2]" 1 105 1 18 SER HB2 1 63 LYS QD . . 5.090 4.121 2.524 4.911 . 0 0 "[ . 1 . 2]" 1 106 1 18 SER HB2 1 63 LYS QE . . 4.670 3.130 2.121 4.518 . 0 0 "[ . 1 . 2]" 1 107 1 18 SER HB2 1 63 LYS QG . . 4.260 3.376 3.102 4.277 0.017 9 0 "[ . 1 . 2]" 1 108 1 18 SER HB2 1 64 ILE H . . 5.500 4.630 4.291 5.502 0.002 1 0 "[ . 1 . 2]" 1 109 1 18 SER HB2 1 65 THR HA . . 4.720 3.969 2.584 4.563 . 0 0 "[ . 1 . 2]" 1 110 1 18 SER HB2 1 65 THR MG . . 4.250 3.606 2.083 3.940 . 0 0 "[ . 1 . 2]" 1 111 1 18 SER HB3 1 19 ALA H . . 4.200 3.959 3.141 4.103 . 0 0 "[ . 1 . 2]" 1 112 1 18 SER HB3 1 63 LYS QD . . 5.090 4.673 2.923 5.092 0.002 3 0 "[ . 1 . 2]" 1 113 1 18 SER HB3 1 63 LYS QE . . 4.670 3.728 3.039 4.674 0.004 5 0 "[ . 1 . 2]" 1 114 1 18 SER HB3 1 63 LYS QG . . 4.260 4.114 3.193 4.267 0.007 20 0 "[ . 1 . 2]" 1 115 1 18 SER HB3 1 64 ILE H . . 5.500 5.353 4.333 5.508 0.008 17 0 "[ . 1 . 2]" 1 116 1 18 SER HB3 1 65 THR HA . . 4.720 3.139 2.810 4.130 . 0 0 "[ . 1 . 2]" 1 117 1 18 SER HB3 1 65 THR MG . . 4.250 2.308 2.001 3.493 . 0 0 "[ . 1 . 2]" 1 118 1 19 ALA H 1 19 ALA MB . . 3.270 2.421 2.273 2.592 . 0 0 "[ . 1 . 2]" 1 119 1 19 ALA H 1 20 THR H . . 4.680 4.459 4.420 4.505 . 0 0 "[ . 1 . 2]" 1 120 1 19 ALA H 1 63 LYS HA . . 5.090 5.026 4.702 5.105 0.015 17 0 "[ . 1 . 2]" 1 121 1 19 ALA H 1 64 ILE HB . . 4.070 4.019 3.917 4.073 0.003 20 0 "[ . 1 . 2]" 1 122 1 19 ALA H 1 64 ILE MD . . 4.130 3.931 3.801 4.067 . 0 0 "[ . 1 . 2]" 1 123 1 19 ALA H 1 64 ILE MG . . 5.080 5.052 4.916 5.090 0.010 18 0 "[ . 1 . 2]" 1 124 1 19 ALA H 1 65 THR HA . . 3.880 3.547 3.427 3.700 . 0 0 "[ . 1 . 2]" 1 125 1 19 ALA H 1 66 GLY H . . 5.480 5.267 5.072 5.424 . 0 0 "[ . 1 . 2]" 1 126 1 19 ALA H 1 71 ILE MD . . 3.690 2.957 2.661 3.330 . 0 0 "[ . 1 . 2]" 1 127 1 19 ALA H 1 71 ILE MG . . 4.140 2.763 2.466 3.110 . 0 0 "[ . 1 . 2]" 1 128 1 19 ALA HA 1 20 THR H . . 2.870 2.512 2.466 2.602 . 0 0 "[ . 1 . 2]" 1 129 1 19 ALA MB 1 20 THR H . . 3.100 2.199 1.996 2.400 . 0 0 "[ . 1 . 2]" 1 130 1 19 ALA MB 1 21 VAL H . . 5.500 5.274 5.180 5.370 . 0 0 "[ . 1 . 2]" 1 131 1 19 ALA MB 1 64 ILE HB . . 4.160 4.150 4.101 4.169 0.009 9 0 "[ . 1 . 2]" 1 132 1 19 ALA MB 1 71 ILE MG . . 3.080 2.259 2.033 2.454 . 0 0 "[ . 1 . 2]" 1 133 1 19 ALA MB 1 75 ARG QD . . 4.670 2.814 2.391 4.001 . 0 0 "[ . 1 . 2]" 1 134 1 20 THR H 1 20 THR HB . . 3.760 3.734 3.695 3.772 0.012 2 0 "[ . 1 . 2]" 1 135 1 20 THR H 1 20 THR MG . . 3.780 3.445 3.367 3.513 . 0 0 "[ . 1 . 2]" 1 136 1 20 THR H 1 21 VAL H . . 4.470 4.418 4.394 4.430 . 0 0 "[ . 1 . 2]" 1 137 1 20 THR H 1 21 VAL MG1 . . 5.360 5.348 5.236 5.387 0.027 6 0 "[ . 1 . 2]" 1 138 1 20 THR H 1 71 ILE MG . . 5.370 5.138 4.913 5.334 . 0 0 "[ . 1 . 2]" 1 139 1 20 THR HA 1 20 THR MG . . 3.560 2.147 2.089 2.194 . 0 0 "[ . 1 . 2]" 1 140 1 20 THR HA 1 21 VAL H . . 2.700 2.321 2.260 2.370 . 0 0 "[ . 1 . 2]" 1 141 1 20 THR HA 1 21 VAL HA . . 5.010 4.438 4.415 4.457 . 0 0 "[ . 1 . 2]" 1 142 1 20 THR HA 1 21 VAL HB . . 4.950 4.489 4.453 4.540 . 0 0 "[ . 1 . 2]" 1 143 1 20 THR HA 1 21 VAL MG1 . . 4.380 3.482 3.365 3.563 . 0 0 "[ . 1 . 2]" 1 144 1 20 THR HA 1 62 ILE H . . 4.990 4.990 4.962 5.003 0.013 15 0 "[ . 1 . 2]" 1 145 1 20 THR HA 1 63 LYS H . . 5.180 4.810 4.772 4.833 . 0 0 "[ . 1 . 2]" 1 146 1 20 THR HA 1 63 LYS HA . . 3.620 2.501 2.486 2.547 . 0 0 "[ . 1 . 2]" 1 147 1 20 THR HA 1 63 LYS HB2 . . 4.810 4.643 4.509 4.759 . 0 0 "[ . 1 . 2]" 1 148 1 20 THR HA 1 63 LYS HB3 . . 5.500 5.504 5.466 5.520 0.020 9 0 "[ . 1 . 2]" 1 149 1 20 THR HA 1 63 LYS QG . . 4.660 4.223 3.930 4.603 . 0 0 "[ . 1 . 2]" 1 150 1 20 THR HA 1 64 ILE H . . 3.820 3.166 3.068 3.364 . 0 0 "[ . 1 . 2]" 1 151 1 20 THR HA 1 64 ILE HG12 . . 4.800 3.046 2.953 3.171 . 0 0 "[ . 1 . 2]" 1 152 1 20 THR HB 1 21 VAL H . . 3.460 2.655 2.503 2.835 . 0 0 "[ . 1 . 2]" 1 153 1 20 THR HB 1 61 GLN HB2 . . 4.410 2.881 2.508 3.941 . 0 0 "[ . 1 . 2]" 1 154 1 20 THR HB 1 61 GLN QB . . 3.760 2.613 2.488 2.754 . 0 0 "[ . 1 . 2]" 1 155 1 20 THR HB 1 61 GLN HB3 . . 4.410 3.869 2.702 4.344 . 0 0 "[ . 1 . 2]" 1 156 1 20 THR HB 1 62 ILE H . . 4.720 4.599 4.446 4.707 . 0 0 "[ . 1 . 2]" 1 157 1 20 THR HB 1 64 ILE H . . 5.500 5.514 5.500 5.545 0.045 9 0 "[ . 1 . 2]" 1 158 1 20 THR MG 1 21 VAL H . . 3.670 3.349 3.204 3.499 . 0 0 "[ . 1 . 2]" 1 159 1 20 THR MG 1 61 GLN H . . 5.500 5.507 5.497 5.524 0.024 9 0 "[ . 1 . 2]" 1 160 1 20 THR MG 1 61 GLN QB . . 3.430 3.223 3.038 3.379 . 0 0 "[ . 1 . 2]" 1 161 1 20 THR MG 1 61 GLN HE21 . . 4.890 3.922 3.135 4.888 . 0 0 "[ . 1 . 2]" 1 162 1 20 THR MG 1 61 GLN HE22 . . 4.890 4.491 4.092 4.892 0.002 9 0 "[ . 1 . 2]" 1 163 1 20 THR MG 1 61 GLN QG . . 5.330 3.527 2.651 5.060 . 0 0 "[ . 1 . 2]" 1 164 1 20 THR MG 1 62 ILE H . . 4.810 4.530 4.349 4.682 . 0 0 "[ . 1 . 2]" 1 165 1 20 THR MG 1 63 LYS H . . 4.670 3.927 3.771 4.050 . 0 0 "[ . 1 . 2]" 1 166 1 20 THR MG 1 63 LYS HA . . 3.810 1.970 1.909 2.086 . 0 0 "[ . 1 . 2]" 1 167 1 20 THR MG 1 63 LYS HB2 . . 3.660 2.677 2.505 2.908 . 0 0 "[ . 1 . 2]" 1 168 1 20 THR MG 1 63 LYS HB3 . . 4.340 3.887 3.747 4.025 . 0 0 "[ . 1 . 2]" 1 169 1 20 THR MG 1 63 LYS QE . . 4.700 3.773 2.428 4.619 . 0 0 "[ . 1 . 2]" 1 170 1 20 THR MG 1 63 LYS QG . . 3.980 2.590 2.160 3.207 . 0 0 "[ . 1 . 2]" 1 171 1 20 THR MG 1 64 ILE H . . 4.310 3.136 3.055 3.211 . 0 0 "[ . 1 . 2]" 1 172 1 21 VAL H 1 21 VAL HB . . 3.630 3.261 3.194 3.342 . 0 0 "[ . 1 . 2]" 1 173 1 21 VAL H 1 21 VAL MG1 . . 3.320 1.921 1.875 2.003 . 0 0 "[ . 1 . 2]" 1 174 1 21 VAL H 1 21 VAL MG2 . . 4.160 3.862 3.835 3.885 . 0 0 "[ . 1 . 2]" 1 175 1 21 VAL H 1 22 ALA H . . 4.530 4.054 3.826 4.202 . 0 0 "[ . 1 . 2]" 1 176 1 21 VAL H 1 22 ALA MB . . 5.420 5.180 5.064 5.249 . 0 0 "[ . 1 . 2]" 1 177 1 21 VAL H 1 61 GLN QB . . 3.900 3.502 3.244 3.820 . 0 0 "[ . 1 . 2]" 1 178 1 21 VAL H 1 61 GLN QG . . 5.340 5.056 4.628 5.343 0.003 17 0 "[ . 1 . 2]" 1 179 1 21 VAL H 1 62 ILE H . . 3.550 3.128 3.044 3.258 . 0 0 "[ . 1 . 2]" 1 180 1 21 VAL H 1 62 ILE HB . . 4.420 3.375 3.233 3.489 . 0 0 "[ . 1 . 2]" 1 181 1 21 VAL H 1 62 ILE MD . . 5.410 5.125 5.005 5.240 . 0 0 "[ . 1 . 2]" 1 182 1 21 VAL H 1 62 ILE HG13 . . 5.500 5.331 5.268 5.400 . 0 0 "[ . 1 . 2]" 1 183 1 21 VAL H 1 62 ILE MG . . 4.690 3.806 3.634 3.926 . 0 0 "[ . 1 . 2]" 1 184 1 21 VAL H 1 63 LYS HA . . 4.140 3.999 3.954 4.087 . 0 0 "[ . 1 . 2]" 1 185 1 21 VAL H 1 64 ILE MD . . 4.890 4.427 4.259 4.635 . 0 0 "[ . 1 . 2]" 1 186 1 21 VAL H 1 64 ILE HG12 . . 4.840 4.203 4.056 4.456 . 0 0 "[ . 1 . 2]" 1 187 1 21 VAL HA 1 21 VAL MG2 . . 3.660 2.420 2.325 2.468 . 0 0 "[ . 1 . 2]" 1 188 1 21 VAL HA 1 22 ALA H . . 2.660 2.160 2.141 2.226 . 0 0 "[ . 1 . 2]" 1 189 1 21 VAL HA 1 22 ALA MB . . 4.330 3.979 3.938 4.031 . 0 0 "[ . 1 . 2]" 1 190 1 21 VAL HA 1 79 LEU HG . . 5.270 5.083 4.874 5.265 . 0 0 "[ . 1 . 2]" 1 191 1 21 VAL HB 1 22 ALA H . . 4.780 4.362 4.232 4.494 . 0 0 "[ . 1 . 2]" 1 192 1 21 VAL HB 1 64 ILE MD . . 4.180 3.385 3.045 3.777 . 0 0 "[ . 1 . 2]" 1 193 1 21 VAL HB 1 75 ARG QG . . 4.250 2.963 2.699 3.134 . 0 0 "[ . 1 . 2]" 1 194 1 21 VAL HB 1 79 LEU HG . . 3.770 3.671 3.502 3.765 . 0 0 "[ . 1 . 2]" 1 195 1 21 VAL MG1 1 23 ILE HG13 . . 4.150 4.019 3.800 4.165 0.015 15 0 "[ . 1 . 2]" 1 196 1 21 VAL MG1 1 61 GLN HA . . 4.540 4.073 3.831 4.285 . 0 0 "[ . 1 . 2]" 1 197 1 21 VAL MG1 1 62 ILE H . . 4.020 2.692 2.457 2.921 . 0 0 "[ . 1 . 2]" 1 198 1 21 VAL MG1 1 62 ILE HB . . 3.440 1.888 1.813 2.106 . 0 0 "[ . 1 . 2]" 1 199 1 21 VAL MG1 1 62 ILE MD . . 4.080 2.751 2.617 2.934 . 0 0 "[ . 1 . 2]" 1 200 1 21 VAL MG1 1 62 ILE HG13 . . 4.180 3.624 3.494 3.893 . 0 0 "[ . 1 . 2]" 1 201 1 21 VAL MG1 1 62 ILE MG . . 3.460 2.663 2.515 2.897 . 0 0 "[ . 1 . 2]" 1 202 1 21 VAL MG1 1 64 ILE MD . . 3.560 3.252 3.080 3.439 . 0 0 "[ . 1 . 2]" 1 203 1 21 VAL MG1 1 64 ILE HG12 . . 4.200 3.648 3.464 3.936 . 0 0 "[ . 1 . 2]" 1 204 1 21 VAL MG1 1 75 ARG HA . . 4.140 3.917 3.752 4.018 . 0 0 "[ . 1 . 2]" 1 205 1 21 VAL MG2 1 22 ALA H . . 3.360 2.919 2.586 3.213 . 0 0 "[ . 1 . 2]" 1 206 1 21 VAL MG2 1 79 LEU HG . . 3.410 2.222 1.991 2.489 . 0 0 "[ . 1 . 2]" 1 207 1 22 ALA H 1 22 ALA MB . . 3.020 2.123 2.035 2.236 . 0 0 "[ . 1 . 2]" 1 208 1 22 ALA H 1 23 ILE H . . 4.520 4.425 4.339 4.468 . 0 0 "[ . 1 . 2]" 1 209 1 22 ALA H 1 23 ILE MG . . 4.880 4.415 4.325 4.519 . 0 0 "[ . 1 . 2]" 1 210 1 22 ALA H 1 61 GLN QB . . 5.170 3.972 3.857 4.193 . 0 0 "[ . 1 . 2]" 1 211 1 22 ALA HA 1 23 ILE H . . 2.900 2.146 2.141 2.161 . 0 0 "[ . 1 . 2]" 1 212 1 22 ALA HA 1 61 GLN HA . . 4.410 2.427 2.360 2.490 . 0 0 "[ . 1 . 2]" 1 213 1 22 ALA HA 1 62 ILE H . . 4.280 3.940 3.817 4.075 . 0 0 "[ . 1 . 2]" 1 214 1 22 ALA MB 1 23 ILE H . . 3.420 3.332 3.265 3.400 . 0 0 "[ . 1 . 2]" 1 215 1 22 ALA MB 1 60 ASN HD21 . . 4.610 4.424 3.987 4.618 0.008 17 0 "[ . 1 . 2]" 1 216 1 22 ALA MB 1 60 ASN HD22 . . 3.850 3.738 3.503 3.854 0.004 3 0 "[ . 1 . 2]" 1 217 1 22 ALA MB 1 61 GLN H . . 5.500 5.452 5.313 5.519 0.019 15 0 "[ . 1 . 2]" 1 218 1 22 ALA MB 1 61 GLN HA . . 4.600 4.009 3.931 4.104 . 0 0 "[ . 1 . 2]" 1 219 1 22 ALA MB 1 61 GLN QB . . 4.850 3.178 2.994 3.721 . 0 0 "[ . 1 . 2]" 1 220 1 22 ALA MB 1 61 GLN HE21 . . 4.980 3.852 2.355 4.635 . 0 0 "[ . 1 . 2]" 1 221 1 22 ALA MB 1 61 GLN QE . . 4.260 3.596 2.162 4.134 . 0 0 "[ . 1 . 2]" 1 222 1 22 ALA MB 1 61 GLN HE22 . . 4.980 4.429 2.519 4.929 . 0 0 "[ . 1 . 2]" 1 223 1 22 ALA MB 1 61 GLN QG . . 4.920 4.244 2.407 4.920 . 0 0 "[ . 1 . 2]" 1 224 1 22 ALA MB 1 62 ILE H . . 5.500 5.276 5.182 5.372 . 0 0 "[ . 1 . 2]" 1 225 1 23 ILE H 1 23 ILE HB . . 4.040 3.794 3.755 3.827 . 0 0 "[ . 1 . 2]" 1 226 1 23 ILE H 1 23 ILE MD . . 4.000 3.939 3.886 3.993 . 0 0 "[ . 1 . 2]" 1 227 1 23 ILE H 1 23 ILE HG12 . . 3.520 2.426 2.256 2.629 . 0 0 "[ . 1 . 2]" 1 228 1 23 ILE H 1 23 ILE HG13 . . 3.810 2.691 2.518 2.849 . 0 0 "[ . 1 . 2]" 1 229 1 23 ILE H 1 23 ILE MG . . 3.610 3.402 3.316 3.454 . 0 0 "[ . 1 . 2]" 1 230 1 23 ILE H 1 24 PRO HA . . 5.070 5.047 5.004 5.080 0.010 15 0 "[ . 1 . 2]" 1 231 1 23 ILE H 1 24 PRO QD . . 4.790 4.329 4.316 4.336 . 0 0 "[ . 1 . 2]" 1 232 1 23 ILE H 1 28 HIS HE2 . . 4.060 3.314 3.055 3.610 . 0 0 "[ . 1 . 2]" 1 233 1 23 ILE H 1 60 ASN HB2 . . 4.290 4.005 3.871 4.100 . 0 0 "[ . 1 . 2]" 1 234 1 23 ILE H 1 60 ASN HB3 . . 5.500 5.491 5.442 5.509 0.009 15 0 "[ . 1 . 2]" 1 235 1 23 ILE H 1 60 ASN HD21 . . 4.430 3.216 2.625 3.432 . 0 0 "[ . 1 . 2]" 1 236 1 23 ILE H 1 60 ASN HD22 . . 4.880 3.878 3.628 4.088 . 0 0 "[ . 1 . 2]" 1 237 1 23 ILE H 1 61 GLN HA . . 3.760 2.621 2.525 2.751 . 0 0 "[ . 1 . 2]" 1 238 1 23 ILE H 1 61 GLN HB2 . . 5.290 4.821 4.488 5.304 0.014 17 0 "[ . 1 . 2]" 1 239 1 23 ILE H 1 61 GLN QB . . 4.450 3.895 3.702 4.250 . 0 0 "[ . 1 . 2]" 1 240 1 23 ILE H 1 61 GLN HB3 . . 5.290 4.115 3.932 4.473 . 0 0 "[ . 1 . 2]" 1 241 1 23 ILE H 1 62 ILE H . . 4.490 3.835 3.680 3.961 . 0 0 "[ . 1 . 2]" 1 242 1 23 ILE H 1 62 ILE MD . . 5.500 5.457 5.226 5.508 0.008 9 0 "[ . 1 . 2]" 1 243 1 23 ILE HA 1 23 ILE MD . . 4.750 4.153 4.135 4.175 . 0 0 "[ . 1 . 2]" 1 244 1 23 ILE HA 1 24 PRO HD2 . . 4.080 2.432 2.416 2.464 . 0 0 "[ . 1 . 2]" 1 245 1 23 ILE HA 1 24 PRO QD . . 3.530 2.109 2.099 2.128 . 0 0 "[ . 1 . 2]" 1 246 1 23 ILE HA 1 24 PRO HD3 . . 4.080 2.313 2.306 2.327 . 0 0 "[ . 1 . 2]" 1 247 1 23 ILE HB 1 23 ILE MD . . 3.600 2.418 2.277 2.516 . 0 0 "[ . 1 . 2]" 1 248 1 23 ILE HB 1 24 PRO HD2 . . 3.880 2.006 1.984 2.055 . 0 0 "[ . 1 . 2]" 1 249 1 23 ILE HB 1 24 PRO QD . . 3.250 1.994 1.972 2.041 . 0 0 "[ . 1 . 2]" 1 250 1 23 ILE HB 1 24 PRO HD3 . . 3.880 3.455 3.437 3.496 . 0 0 "[ . 1 . 2]" 1 251 1 23 ILE HB 1 24 PRO QG . . 4.840 3.553 3.523 3.584 . 0 0 "[ . 1 . 2]" 1 252 1 23 ILE HB 1 28 HIS H . . 5.020 4.682 4.375 4.924 . 0 0 "[ . 1 . 2]" 1 253 1 23 ILE HB 1 28 HIS HD2 . . 4.830 3.159 2.915 3.389 . 0 0 "[ . 1 . 2]" 1 254 1 23 ILE HB 1 28 HIS HE2 . . 5.500 4.139 3.936 4.385 . 0 0 "[ . 1 . 2]" 1 255 1 23 ILE HB 1 62 ILE MD . . 4.970 4.687 4.561 4.854 . 0 0 "[ . 1 . 2]" 1 256 1 23 ILE HB 1 82 SER QB . . 4.560 3.442 3.289 3.729 . 0 0 "[ . 1 . 2]" 1 257 1 23 ILE MD 1 23 ILE MG . . 2.990 2.023 1.893 2.268 . 0 0 "[ . 1 . 2]" 1 258 1 23 ILE MD 1 27 HIS HB2 . . 3.930 3.441 3.018 3.853 . 0 0 "[ . 1 . 2]" 1 259 1 23 ILE MD 1 27 HIS HB3 . . 3.910 3.586 3.058 3.898 . 0 0 "[ . 1 . 2]" 1 260 1 23 ILE MD 1 28 HIS H . . 4.320 4.058 3.361 4.317 . 0 0 "[ . 1 . 2]" 1 261 1 23 ILE MD 1 28 HIS HA . . 3.900 2.871 2.546 3.215 . 0 0 "[ . 1 . 2]" 1 262 1 23 ILE MD 1 28 HIS HD2 . . 3.750 2.274 2.007 2.498 . 0 0 "[ . 1 . 2]" 1 263 1 23 ILE MD 1 28 HIS HE2 . . 5.310 3.189 3.009 3.337 . 0 0 "[ . 1 . 2]" 1 264 1 23 ILE MD 1 62 ILE HB . . 4.670 2.797 2.595 2.997 . 0 0 "[ . 1 . 2]" 1 265 1 23 ILE MD 1 62 ILE MD . . 3.380 1.752 1.696 1.877 . 0 0 "[ . 1 . 2]" 1 266 1 23 ILE MD 1 62 ILE MG . . 4.020 3.729 3.632 3.846 . 0 0 "[ . 1 . 2]" 1 267 1 23 ILE MD 1 82 SER QB . . 3.560 3.383 3.023 3.563 0.003 15 0 "[ . 1 . 2]" 1 268 1 23 ILE HG12 1 28 HIS HD2 . . 4.050 4.011 3.944 4.057 0.007 19 0 "[ . 1 . 2]" 1 269 1 23 ILE HG12 1 28 HIS HE2 . . 4.980 3.308 3.150 3.432 . 0 0 "[ . 1 . 2]" 1 270 1 23 ILE HG12 1 62 ILE MD . . 4.260 3.634 3.509 3.767 . 0 0 "[ . 1 . 2]" 1 271 1 23 ILE HG13 1 27 HIS H . . 5.500 5.476 5.313 5.511 0.011 17 0 "[ . 1 . 2]" 1 272 1 23 ILE HG13 1 28 HIS HD2 . . 3.750 2.381 2.248 2.501 . 0 0 "[ . 1 . 2]" 1 273 1 23 ILE HG13 1 28 HIS HE2 . . 4.920 1.939 1.893 2.070 . 0 0 "[ . 1 . 2]" 1 274 1 23 ILE HG13 1 60 ASN HD21 . . 4.620 4.477 4.198 4.617 . 0 0 "[ . 1 . 2]" 1 275 1 23 ILE HG13 1 62 ILE MD . . 3.960 3.565 3.222 3.815 . 0 0 "[ . 1 . 2]" 1 276 1 23 ILE MG 1 24 PRO HD2 . . 4.290 2.670 2.484 2.812 . 0 0 "[ . 1 . 2]" 1 277 1 23 ILE MG 1 24 PRO QD . . 3.730 2.591 2.425 2.720 . 0 0 "[ . 1 . 2]" 1 278 1 23 ILE MG 1 24 PRO HD3 . . 4.290 3.506 3.391 3.614 . 0 0 "[ . 1 . 2]" 1 279 1 23 ILE MG 1 27 HIS H . . 5.500 5.480 5.336 5.525 0.025 17 0 "[ . 1 . 2]" 1 280 1 23 ILE MG 1 27 HIS HB2 . . 4.460 3.575 3.396 3.658 . 0 0 "[ . 1 . 2]" 1 281 1 23 ILE MG 1 27 HIS HB3 . . 4.520 3.773 3.509 4.033 . 0 0 "[ . 1 . 2]" 1 282 1 23 ILE MG 1 28 HIS HD2 . . 4.660 4.398 4.248 4.498 . 0 0 "[ . 1 . 2]" 1 283 1 23 ILE MG 1 82 SER QB . . 3.530 2.016 1.923 2.205 . 0 0 "[ . 1 . 2]" 1 284 1 23 ILE MG 1 83 ALA H . . 5.120 4.953 4.759 5.079 . 0 0 "[ . 1 . 2]" 1 285 1 24 PRO HA 1 25 LYS H . . 2.920 2.211 2.176 2.249 . 0 0 "[ . 1 . 2]" 1 286 1 24 PRO HA 1 25 LYS HA . . 5.040 4.336 4.323 4.349 . 0 0 "[ . 1 . 2]" 1 287 1 24 PRO HA 1 25 LYS QB . . 4.970 4.296 4.077 4.537 . 0 0 "[ . 1 . 2]" 1 288 1 24 PRO HA 1 26 GLU H . . 4.460 3.682 3.637 3.802 . 0 0 "[ . 1 . 2]" 1 289 1 24 PRO HA 1 27 HIS H . . 5.160 4.584 4.543 4.630 . 0 0 "[ . 1 . 2]" 1 290 1 24 PRO HA 1 60 ASN HD21 . . 4.420 2.711 2.404 3.392 . 0 0 "[ . 1 . 2]" 1 291 1 24 PRO HA 1 60 ASN HD22 . . 4.750 4.019 3.796 4.367 . 0 0 "[ . 1 . 2]" 1 292 1 24 PRO HB2 1 26 GLU H . . 4.430 2.207 2.131 2.279 . 0 0 "[ . 1 . 2]" 1 293 1 24 PRO HB2 1 27 HIS H . . 3.830 3.192 3.062 3.343 . 0 0 "[ . 1 . 2]" 1 294 1 24 PRO HB2 1 27 HIS HE1 . . 5.500 5.439 5.217 5.506 0.006 5 0 "[ . 1 . 2]" 1 295 1 24 PRO HB3 1 25 LYS H . . 3.930 3.780 3.689 3.881 . 0 0 "[ . 1 . 2]" 1 296 1 24 PRO HB3 1 27 HIS H . . 4.800 4.677 4.560 4.804 0.004 15 0 "[ . 1 . 2]" 1 297 1 24 PRO QG 1 26 GLU H . . 3.570 3.401 3.245 3.526 . 0 0 "[ . 1 . 2]" 1 298 1 24 PRO QG 1 27 HIS H . . 4.690 2.593 2.448 2.733 . 0 0 "[ . 1 . 2]" 1 299 1 24 PRO QG 1 27 HIS HE1 . . 4.510 2.933 2.790 3.049 . 0 0 "[ . 1 . 2]" 1 300 1 25 LYS H 1 25 LYS HB2 . . 3.650 2.360 2.176 2.622 . 0 0 "[ . 1 . 2]" 1 301 1 25 LYS H 1 25 LYS QB . . 3.010 2.307 2.122 2.561 . 0 0 "[ . 1 . 2]" 1 302 1 25 LYS H 1 25 LYS HB3 . . 3.650 3.282 2.882 3.590 . 0 0 "[ . 1 . 2]" 1 303 1 25 LYS H 1 25 LYS QD . . 4.490 3.782 3.125 4.425 . 0 0 "[ . 1 . 2]" 1 304 1 25 LYS H 1 25 LYS HG2 . . 4.630 3.483 1.936 4.637 0.007 19 0 "[ . 1 . 2]" 1 305 1 25 LYS H 1 25 LYS HG3 . . 4.630 3.661 2.361 4.453 . 0 0 "[ . 1 . 2]" 1 306 1 25 LYS H 1 26 GLU H . . 3.660 2.711 2.665 2.765 . 0 0 "[ . 1 . 2]" 1 307 1 25 LYS H 1 60 ASN HB2 . . 4.050 3.300 3.029 3.628 . 0 0 "[ . 1 . 2]" 1 308 1 25 LYS H 1 60 ASN HB3 . . 3.960 3.807 3.644 3.961 0.001 20 0 "[ . 1 . 2]" 1 309 1 25 LYS H 1 60 ASN HD21 . . 4.650 4.018 3.643 4.543 . 0 0 "[ . 1 . 2]" 1 310 1 25 LYS H 1 60 ASN HD22 . . 5.500 5.391 5.061 5.509 0.009 5 0 "[ . 1 . 2]" 1 311 1 25 LYS HA 1 25 LYS QD . . 3.700 2.719 2.034 3.680 . 0 0 "[ . 1 . 2]" 1 312 1 25 LYS HA 1 25 LYS QG . . 3.680 2.509 2.240 2.974 . 0 0 "[ . 1 . 2]" 1 313 1 25 LYS HA 1 27 HIS H . . 4.350 3.889 3.696 4.098 . 0 0 "[ . 1 . 2]" 1 314 1 25 LYS HA 1 28 HIS H . . 4.100 3.261 3.193 3.434 . 0 0 "[ . 1 . 2]" 1 315 1 25 LYS HA 1 28 HIS HA . . 5.500 4.955 4.766 5.193 . 0 0 "[ . 1 . 2]" 1 316 1 25 LYS HA 1 28 HIS HD2 . . 4.280 3.400 3.119 3.827 . 0 0 "[ . 1 . 2]" 1 317 1 25 LYS HA 1 28 HIS HE1 . . 5.130 4.556 3.789 5.125 . 0 0 "[ . 1 . 2]" 1 318 1 25 LYS HA 1 28 HIS HE2 . . 5.000 4.108 3.747 4.384 . 0 0 "[ . 1 . 2]" 1 319 1 25 LYS HA 1 60 ASN HB2 . . 4.450 3.801 3.693 3.902 . 0 0 "[ . 1 . 2]" 1 320 1 25 LYS QB 1 26 GLU H . . 3.740 3.171 3.062 3.351 . 0 0 "[ . 1 . 2]" 1 321 1 25 LYS QB 1 60 ASN HB2 . . 4.570 4.264 3.838 4.579 0.009 20 0 "[ . 1 . 2]" 1 322 1 25 LYS QB 1 60 ASN HB3 . . 4.590 4.078 3.467 4.590 0.000 13 0 "[ . 1 . 2]" 1 323 1 25 LYS HB2 1 26 GLU H . . 4.590 3.601 3.162 4.019 . 0 0 "[ . 1 . 2]" 1 324 1 25 LYS HB2 1 60 ASN HB3 . . 5.420 4.320 3.518 5.042 . 0 0 "[ . 1 . 2]" 1 325 1 25 LYS HB3 1 26 GLU H . . 4.590 3.763 3.217 4.204 . 0 0 "[ . 1 . 2]" 1 326 1 25 LYS HB3 1 60 ASN HB3 . . 5.420 5.303 4.997 5.432 0.012 15 0 "[ . 1 . 2]" 1 327 1 25 LYS QD 1 28 HIS HE1 . . 4.900 3.988 2.376 4.853 . 0 0 "[ . 1 . 2]" 1 328 1 25 LYS QD 1 59 SER H . . 5.500 5.119 4.413 5.514 0.014 5 0 "[ . 1 . 2]" 1 329 1 25 LYS QD 1 60 ASN HA . . 5.060 3.086 2.032 4.041 . 0 0 "[ . 1 . 2]" 1 330 1 25 LYS QD 1 60 ASN HB2 . . 5.040 3.611 2.487 4.720 . 0 0 "[ . 1 . 2]" 1 331 1 25 LYS QD 1 60 ASN HB3 . . 4.880 3.012 1.991 4.142 . 0 0 "[ . 1 . 2]" 1 332 1 25 LYS QE 1 25 LYS QG . . 3.280 2.358 2.008 2.674 . 0 0 "[ . 1 . 2]" 1 333 1 25 LYS QE 1 55 PRO HA . . 3.890 2.850 1.964 3.829 . 0 0 "[ . 1 . 2]" 1 334 1 25 LYS QE 1 59 SER H . . 5.340 5.156 3.888 5.350 0.010 17 0 "[ . 1 . 2]" 1 335 1 25 LYS HE2 1 55 PRO HA . . 4.640 3.453 2.247 4.648 0.008 19 0 "[ . 1 . 2]" 1 336 1 25 LYS HE3 1 55 PRO HA . . 4.640 3.153 2.032 4.639 . 0 0 "[ . 1 . 2]" 1 337 1 25 LYS QG 1 26 GLU H . . 4.510 4.370 4.150 4.494 . 0 0 "[ . 1 . 2]" 1 338 1 26 GLU H 1 26 GLU QB . . 3.070 2.396 2.122 2.856 . 0 0 "[ . 1 . 2]" 1 339 1 26 GLU H 1 26 GLU HG2 . . 4.460 2.798 2.264 4.466 0.006 7 0 "[ . 1 . 2]" 1 340 1 26 GLU H 1 26 GLU QG . . 3.680 2.665 2.001 3.727 0.047 7 0 "[ . 1 . 2]" 1 341 1 26 GLU H 1 26 GLU HG3 . . 4.460 3.671 2.230 4.402 . 0 0 "[ . 1 . 2]" 1 342 1 26 GLU H 1 27 HIS H . . 3.480 2.361 2.175 2.478 . 0 0 "[ . 1 . 2]" 1 343 1 26 GLU H 1 27 HIS HB2 . . 5.350 4.483 4.230 4.690 . 0 0 "[ . 1 . 2]" 1 344 1 26 GLU H 1 28 HIS H . . 4.480 3.775 3.693 3.881 . 0 0 "[ . 1 . 2]" 1 345 1 26 GLU HA 1 26 GLU HG2 . . 3.940 3.745 3.620 3.976 0.036 15 0 "[ . 1 . 2]" 1 346 1 26 GLU HA 1 26 GLU QG . . 3.410 3.239 2.735 3.325 . 0 0 "[ . 1 . 2]" 1 347 1 26 GLU HA 1 26 GLU HG3 . . 3.940 3.592 2.817 3.801 . 0 0 "[ . 1 . 2]" 1 348 1 26 GLU HA 1 28 HIS H . . 4.410 4.063 3.916 4.387 . 0 0 "[ . 1 . 2]" 1 349 1 26 GLU QB 1 27 HIS H . . 3.750 3.517 2.953 3.750 . 5 0 "[ . 1 . 2]" 1 350 1 26 GLU QB 1 27 HIS HA . . 5.440 4.607 4.330 4.715 . 0 0 "[ . 1 . 2]" 1 351 1 26 GLU QB 1 27 HIS HD2 . . 4.380 3.954 3.473 4.319 . 0 0 "[ . 1 . 2]" 1 352 1 26 GLU QG 1 27 HIS H . . 3.630 2.499 1.979 3.414 . 0 0 "[ . 1 . 2]" 1 353 1 26 GLU QG 1 27 HIS HD2 . . 4.100 2.272 1.978 3.222 . 0 0 "[ . 1 . 2]" 1 354 1 26 GLU QG 1 28 HIS H . . 5.340 4.401 4.088 5.035 . 0 0 "[ . 1 . 2]" 1 355 1 26 GLU HG2 1 27 HIS HD2 . . 4.870 3.219 1.999 4.874 0.004 19 0 "[ . 1 . 2]" 1 356 1 26 GLU HG3 1 27 HIS HD2 . . 4.870 2.435 2.000 3.269 . 0 0 "[ . 1 . 2]" 1 357 1 27 HIS H 1 27 HIS HB2 . . 3.280 2.404 2.338 2.436 . 0 0 "[ . 1 . 2]" 1 358 1 27 HIS H 1 27 HIS HB3 . . 3.640 3.624 3.592 3.650 0.010 19 0 "[ . 1 . 2]" 1 359 1 27 HIS H 1 27 HIS HD2 . . 3.950 3.610 3.378 3.935 . 0 0 "[ . 1 . 2]" 1 360 1 27 HIS H 1 28 HIS HA . . 5.500 4.767 4.618 4.855 . 0 0 "[ . 1 . 2]" 1 361 1 27 HIS H 1 28 HIS HB2 . . 5.060 4.250 4.068 4.388 . 0 0 "[ . 1 . 2]" 1 362 1 27 HIS H 1 28 HIS HD2 . . 4.390 3.776 3.469 4.204 . 0 0 "[ . 1 . 2]" 1 363 1 27 HIS H 1 29 ARG HG2 . . 5.250 4.845 4.537 5.097 . 0 0 "[ . 1 . 2]" 1 364 1 27 HIS H 1 30 PHE QD . . 4.880 4.706 4.511 4.842 . 0 0 "[ . 1 . 2]" 1 365 1 27 HIS HA 1 27 HIS HD2 . . 3.850 2.317 2.224 2.388 . 0 0 "[ . 1 . 2]" 1 366 1 27 HIS HA 1 29 ARG H . . 4.940 4.061 3.619 4.438 . 0 0 "[ . 1 . 2]" 1 367 1 27 HIS HA 1 30 PHE H . . 4.250 3.221 2.971 3.443 . 0 0 "[ . 1 . 2]" 1 368 1 27 HIS HA 1 30 PHE QB . . 4.910 2.734 2.398 3.073 . 0 0 "[ . 1 . 2]" 1 369 1 27 HIS HA 1 30 PHE QD . . 3.490 2.114 1.999 2.429 . 0 0 "[ . 1 . 2]" 1 370 1 27 HIS HA 1 30 PHE QE . . 4.220 3.999 3.624 4.218 . 0 0 "[ . 1 . 2]" 1 371 1 27 HIS HA 1 81 ILE MG . . 5.000 4.639 4.168 4.964 . 0 0 "[ . 1 . 2]" 1 372 1 27 HIS HA 1 85 GLN HG2 . . 5.500 5.171 4.820 5.458 . 0 0 "[ . 1 . 2]" 1 373 1 27 HIS HA 1 85 GLN HG3 . . 5.260 3.707 3.242 3.998 . 0 0 "[ . 1 . 2]" 1 374 1 27 HIS HB2 1 28 HIS H . . 4.030 3.198 2.879 3.359 . 0 0 "[ . 1 . 2]" 1 375 1 27 HIS HB2 1 82 SER HA . . 5.100 4.296 4.014 4.576 . 0 0 "[ . 1 . 2]" 1 376 1 27 HIS HB3 1 28 HIS H . . 4.530 3.998 3.748 4.145 . 0 0 "[ . 1 . 2]" 1 377 1 27 HIS HB3 1 31 VAL MG2 . . 4.980 3.614 3.321 3.829 . 0 0 "[ . 1 . 2]" 1 378 1 27 HIS HB3 1 81 ILE MG . . 4.570 4.069 3.612 4.458 . 0 0 "[ . 1 . 2]" 1 379 1 27 HIS HB3 1 82 SER HA . . 4.690 3.103 2.646 3.553 . 0 0 "[ . 1 . 2]" 1 380 1 27 HIS HB3 1 82 SER QB . . 5.270 3.024 2.709 3.303 . 0 0 "[ . 1 . 2]" 1 381 1 27 HIS HD2 1 30 PHE QD . . 4.910 3.069 2.440 3.710 . 0 0 "[ . 1 . 2]" 1 382 1 27 HIS HD2 1 30 PHE QE . . 4.770 3.576 3.184 3.906 . 0 0 "[ . 1 . 2]" 1 383 1 27 HIS HD2 1 85 GLN HG2 . . 4.650 4.275 3.948 4.528 . 0 0 "[ . 1 . 2]" 1 384 1 27 HIS HE1 1 82 SER HA . . 5.200 3.812 2.960 4.628 . 0 0 "[ . 1 . 2]" 1 385 1 27 HIS HE1 1 82 SER QB . . 5.500 3.704 2.822 4.558 . 0 0 "[ . 1 . 2]" 1 386 1 27 HIS HE1 1 85 GLN HA . . 5.500 5.420 5.192 5.503 0.003 2 0 "[ . 1 . 2]" 1 387 1 27 HIS HE1 1 85 GLN HB2 . . 4.730 2.631 2.358 2.944 . 0 0 "[ . 1 . 2]" 1 388 1 27 HIS HE1 1 85 GLN HB3 . . 4.980 3.696 3.453 3.985 . 0 0 "[ . 1 . 2]" 1 389 1 27 HIS HE1 1 86 ASP HA . . 5.140 3.942 3.465 4.729 . 0 0 "[ . 1 . 2]" 1 390 1 27 HIS HE1 1 86 ASP QB . . 4.690 3.537 2.627 4.198 . 0 0 "[ . 1 . 2]" 1 391 1 28 HIS H 1 28 HIS HB2 . . 3.510 2.293 2.222 2.480 . 0 0 "[ . 1 . 2]" 1 392 1 28 HIS H 1 28 HIS HB3 . . 3.650 3.547 3.519 3.605 . 0 0 "[ . 1 . 2]" 1 393 1 28 HIS H 1 28 HIS HD2 . . 3.230 2.672 2.296 2.918 . 0 0 "[ . 1 . 2]" 1 394 1 28 HIS H 1 28 HIS HE2 . . 5.220 5.039 4.634 5.225 0.005 3 0 "[ . 1 . 2]" 1 395 1 28 HIS H 1 29 ARG H . . 3.490 2.754 2.528 3.001 . 0 0 "[ . 1 . 2]" 1 396 1 28 HIS H 1 29 ARG HG2 . . 4.830 4.192 3.894 4.390 . 0 0 "[ . 1 . 2]" 1 397 1 28 HIS H 1 30 PHE H . . 4.700 4.152 3.893 4.469 . 0 0 "[ . 1 . 2]" 1 398 1 28 HIS H 1 30 PHE QD . . 5.330 4.929 4.224 5.247 . 0 0 "[ . 1 . 2]" 1 399 1 28 HIS H 1 62 ILE MD . . 5.130 5.030 4.771 5.135 0.005 15 0 "[ . 1 . 2]" 1 400 1 28 HIS HA 1 28 HIS HD2 . . 3.950 2.775 2.421 3.110 . 0 0 "[ . 1 . 2]" 1 401 1 28 HIS HA 1 31 VAL H . . 3.910 3.562 3.382 3.749 . 0 0 "[ . 1 . 2]" 1 402 1 28 HIS HA 1 31 VAL HB . . 4.150 3.204 2.988 3.484 . 0 0 "[ . 1 . 2]" 1 403 1 28 HIS HA 1 31 VAL MG2 . . 3.670 2.927 2.601 3.305 . 0 0 "[ . 1 . 2]" 1 404 1 28 HIS HA 1 52 ILE MD . . 4.290 4.020 3.405 4.217 . 0 0 "[ . 1 . 2]" 1 405 1 28 HIS HA 1 62 ILE MD . . 4.170 2.895 2.725 3.000 . 0 0 "[ . 1 . 2]" 1 406 1 28 HIS HB2 1 29 ARG H . . 3.840 2.737 2.524 3.091 . 0 0 "[ . 1 . 2]" 1 407 1 28 HIS HB2 1 32 ILE MD . . 4.860 4.224 3.625 4.631 . 0 0 "[ . 1 . 2]" 1 408 1 28 HIS HB2 1 52 ILE MD . . 5.270 5.048 4.450 5.272 0.002 9 0 "[ . 1 . 2]" 1 409 1 28 HIS HB2 1 52 ILE MG . . 4.150 3.969 3.670 4.157 0.007 15 0 "[ . 1 . 2]" 1 410 1 28 HIS HB3 1 29 ARG H . . 3.630 3.389 3.060 3.629 . 0 0 "[ . 1 . 2]" 1 411 1 28 HIS HB3 1 32 ILE MD . . 5.020 2.987 2.414 3.382 . 0 0 "[ . 1 . 2]" 1 412 1 28 HIS HB3 1 52 ILE MG . . 4.060 2.704 2.322 2.916 . 0 0 "[ . 1 . 2]" 1 413 1 28 HIS HD2 1 29 ARG H . . 5.500 5.034 4.930 5.098 . 0 0 "[ . 1 . 2]" 1 414 1 28 HIS HD2 1 31 VAL MG2 . . 5.040 4.413 3.669 4.877 . 0 0 "[ . 1 . 2]" 1 415 1 28 HIS HD2 1 62 ILE MD . . 4.350 3.550 2.783 3.974 . 0 0 "[ . 1 . 2]" 1 416 1 28 HIS HE1 1 52 ILE HA . . 5.200 4.273 3.905 4.786 . 0 0 "[ . 1 . 2]" 1 417 1 28 HIS HE1 1 52 ILE MG . . 4.940 3.117 2.861 3.631 . 0 0 "[ . 1 . 2]" 1 418 1 28 HIS HE1 1 53 PRO QB . . 5.110 4.015 3.860 4.623 . 0 0 "[ . 1 . 2]" 1 419 1 28 HIS HE1 1 53 PRO HD2 . . 4.200 2.328 2.002 2.807 . 0 0 "[ . 1 . 2]" 1 420 1 28 HIS HE1 1 53 PRO HD3 . . 4.500 3.329 2.782 4.002 . 0 0 "[ . 1 . 2]" 1 421 1 28 HIS HE1 1 53 PRO HG2 . . 4.610 2.173 1.999 2.777 . 0 0 "[ . 1 . 2]" 1 422 1 28 HIS HE1 1 53 PRO QG . . 3.960 2.046 1.901 2.635 . 0 0 "[ . 1 . 2]" 1 423 1 28 HIS HE1 1 53 PRO HG3 . . 4.610 2.582 2.267 3.278 . 0 0 "[ . 1 . 2]" 1 424 1 28 HIS HE1 1 60 ASN H . . 5.170 4.892 4.688 5.135 . 0 0 "[ . 1 . 2]" 1 425 1 28 HIS HE1 1 60 ASN HA . . 4.120 2.359 1.995 2.696 . 0 0 "[ . 1 . 2]" 1 426 1 28 HIS HE1 1 60 ASN HB2 . . 5.270 4.082 3.590 4.537 . 0 0 "[ . 1 . 2]" 1 427 1 28 HIS HE1 1 61 GLN H . . 4.480 3.845 3.445 4.244 . 0 0 "[ . 1 . 2]" 1 428 1 28 HIS HE1 1 62 ILE MD . . 5.020 4.579 4.267 4.923 . 0 0 "[ . 1 . 2]" 1 429 1 28 HIS HE1 1 62 ILE HG12 . . 4.880 4.303 3.887 4.859 . 0 0 "[ . 1 . 2]" 1 430 1 28 HIS HE1 1 62 ILE HG13 . . 4.650 3.520 3.042 4.075 . 0 0 "[ . 1 . 2]" 1 431 1 28 HIS HE2 1 60 ASN HA . . 4.700 3.072 2.612 3.377 . 0 0 "[ . 1 . 2]" 1 432 1 28 HIS HE2 1 60 ASN HB2 . . 4.950 3.045 2.677 3.542 . 0 0 "[ . 1 . 2]" 1 433 1 28 HIS HE2 1 62 ILE MD . . 5.340 4.047 3.517 4.368 . 0 0 "[ . 1 . 2]" 1 434 1 29 ARG H 1 29 ARG HB2 . . 3.700 3.590 3.563 3.637 . 0 0 "[ . 1 . 2]" 1 435 1 29 ARG H 1 29 ARG QB . . 3.080 2.442 2.307 2.585 . 0 0 "[ . 1 . 2]" 1 436 1 29 ARG H 1 29 ARG HB3 . . 3.700 2.486 2.337 2.648 . 0 0 "[ . 1 . 2]" 1 437 1 29 ARG H 1 29 ARG QD . . 4.460 3.936 3.330 4.386 . 0 0 "[ . 1 . 2]" 1 438 1 29 ARG H 1 29 ARG HG2 . . 3.180 2.284 1.973 2.547 . 0 0 "[ . 1 . 2]" 1 439 1 29 ARG H 1 29 ARG HG3 . . 3.750 3.400 2.906 3.751 0.001 7 0 "[ . 1 . 2]" 1 440 1 29 ARG H 1 30 PHE H . . 3.580 2.646 2.311 2.905 . 0 0 "[ . 1 . 2]" 1 441 1 29 ARG H 1 30 PHE QD . . 4.890 4.406 3.501 4.889 . 0 0 "[ . 1 . 2]" 1 442 1 29 ARG H 1 31 VAL H . . 5.220 4.032 3.884 4.234 . 0 0 "[ . 1 . 2]" 1 443 1 29 ARG H 1 32 ILE H . . 5.500 4.825 4.699 4.983 . 0 0 "[ . 1 . 2]" 1 444 1 29 ARG H 1 32 ILE MD . . 4.510 4.169 3.745 4.438 . 0 0 "[ . 1 . 2]" 1 445 1 29 ARG HA 1 29 ARG QD . . 4.710 4.390 4.233 4.565 . 0 0 "[ . 1 . 2]" 1 446 1 29 ARG HA 1 31 VAL H . . 5.100 3.835 3.517 4.073 . 0 0 "[ . 1 . 2]" 1 447 1 29 ARG HA 1 32 ILE H . . 3.810 3.190 2.992 3.375 . 0 0 "[ . 1 . 2]" 1 448 1 29 ARG HA 1 32 ILE HB . . 3.240 2.773 2.543 3.017 . 0 0 "[ . 1 . 2]" 1 449 1 29 ARG HA 1 32 ILE MD . . 3.500 2.489 2.108 2.760 . 0 0 "[ . 1 . 2]" 1 450 1 29 ARG HA 1 32 ILE HG12 . . 4.860 4.699 4.468 4.860 . 0 0 "[ . 1 . 2]" 1 451 1 29 ARG HA 1 32 ILE HG13 . . 4.530 3.416 3.118 3.663 . 0 0 "[ . 1 . 2]" 1 452 1 29 ARG HA 1 33 GLY H . . 4.580 3.923 3.714 4.218 . 0 0 "[ . 1 . 2]" 1 453 1 29 ARG HB2 1 29 ARG QD . . 3.640 2.541 2.086 3.070 . 0 0 "[ . 1 . 2]" 1 454 1 29 ARG HB2 1 30 PHE H . . 4.450 3.852 3.588 4.092 . 0 0 "[ . 1 . 2]" 1 455 1 29 ARG HB3 1 29 ARG QD . . 3.640 2.593 2.215 3.121 . 0 0 "[ . 1 . 2]" 1 456 1 29 ARG HB3 1 30 PHE H . . 4.450 3.905 3.754 4.150 . 0 0 "[ . 1 . 2]" 1 457 1 29 ARG QD 1 30 PHE H . . 5.090 4.081 3.797 4.402 . 0 0 "[ . 1 . 2]" 1 458 1 29 ARG QD 1 30 PHE QE . . 5.440 3.620 2.899 4.276 . 0 0 "[ . 1 . 2]" 1 459 1 29 ARG QD 1 30 PHE HZ . . 5.400 4.778 4.162 5.400 . 0 0 "[ . 1 . 2]" 1 460 1 29 ARG HG2 1 30 PHE H . . 3.780 2.517 2.068 3.408 . 0 0 "[ . 1 . 2]" 1 461 1 29 ARG HG2 1 30 PHE QD . . 4.980 3.195 2.302 4.270 . 0 0 "[ . 1 . 2]" 1 462 1 29 ARG HG2 1 30 PHE QE . . 5.500 4.260 3.126 4.991 . 0 0 "[ . 1 . 2]" 1 463 1 29 ARG HG3 1 30 PHE H . . 3.770 2.407 2.128 2.753 . 0 0 "[ . 1 . 2]" 1 464 1 29 ARG HG3 1 30 PHE QD . . 4.900 3.191 2.613 3.738 . 0 0 "[ . 1 . 2]" 1 465 1 29 ARG HG3 1 30 PHE QE . . 5.500 4.064 3.562 4.519 . 0 0 "[ . 1 . 2]" 1 466 1 29 ARG HG3 1 30 PHE HZ . . 5.500 5.296 4.831 5.497 . 0 0 "[ . 1 . 2]" 1 467 1 30 PHE H 1 30 PHE HB2 . . 3.630 2.254 2.187 2.329 . 0 0 "[ . 1 . 2]" 1 468 1 30 PHE H 1 30 PHE QB . . 3.070 2.230 2.166 2.300 . 0 0 "[ . 1 . 2]" 1 469 1 30 PHE H 1 30 PHE HB3 . . 3.630 3.531 3.487 3.562 . 0 0 "[ . 1 . 2]" 1 470 1 30 PHE H 1 30 PHE QD . . 3.360 2.754 1.971 3.347 . 0 0 "[ . 1 . 2]" 1 471 1 30 PHE H 1 31 VAL HB . . 5.100 4.917 4.623 5.091 . 0 0 "[ . 1 . 2]" 1 472 1 30 PHE H 1 31 VAL MG2 . . 4.090 3.858 3.479 4.092 0.002 15 0 "[ . 1 . 2]" 1 473 1 30 PHE H 1 32 ILE H . . 4.310 4.126 3.945 4.287 . 0 0 "[ . 1 . 2]" 1 474 1 30 PHE H 1 81 ILE MG . . 5.060 4.880 4.614 5.058 . 0 0 "[ . 1 . 2]" 1 475 1 30 PHE HA 1 30 PHE QD . . 3.590 2.664 2.036 3.092 . 0 0 "[ . 1 . 2]" 1 476 1 30 PHE HA 1 32 ILE H . . 4.690 4.362 3.992 4.542 . 0 0 "[ . 1 . 2]" 1 477 1 30 PHE HA 1 33 GLY H . . 3.940 3.761 3.550 3.907 . 0 0 "[ . 1 . 2]" 1 478 1 30 PHE QB 1 31 VAL H . . 3.830 3.004 2.785 3.236 . 0 0 "[ . 1 . 2]" 1 479 1 30 PHE QB 1 31 VAL MG2 . . 4.260 3.121 2.979 3.214 . 0 0 "[ . 1 . 2]" 1 480 1 30 PHE QB 1 81 ILE MD . . 5.340 3.887 3.289 4.226 . 0 0 "[ . 1 . 2]" 1 481 1 30 PHE QB 1 85 GLN HE21 . . 4.570 3.646 3.403 3.999 . 0 0 "[ . 1 . 2]" 1 482 1 30 PHE QB 1 85 GLN HE22 . . 4.620 4.521 4.278 4.623 0.003 2 0 "[ . 1 . 2]" 1 483 1 30 PHE HB2 1 31 VAL H . . 4.430 3.162 2.889 3.407 . 0 0 "[ . 1 . 2]" 1 484 1 30 PHE HB2 1 31 VAL MG2 . . 4.910 3.327 3.134 3.455 . 0 0 "[ . 1 . 2]" 1 485 1 30 PHE HB2 1 81 ILE MG . . 3.610 3.060 2.747 3.362 . 0 0 "[ . 1 . 2]" 1 486 1 30 PHE HB2 1 85 GLN HE21 . . 5.280 4.502 4.217 5.014 . 0 0 "[ . 1 . 2]" 1 487 1 30 PHE HB3 1 31 VAL H . . 4.430 3.756 3.552 4.033 . 0 0 "[ . 1 . 2]" 1 488 1 30 PHE HB3 1 31 VAL MG2 . . 4.910 3.786 3.642 3.913 . 0 0 "[ . 1 . 2]" 1 489 1 30 PHE HB3 1 81 ILE MG . . 3.610 2.233 2.011 2.473 . 0 0 "[ . 1 . 2]" 1 490 1 30 PHE HB3 1 85 GLN HE21 . . 5.280 3.859 3.577 4.202 . 0 0 "[ . 1 . 2]" 1 491 1 30 PHE QD 1 31 VAL MG2 . . 5.500 4.838 4.635 4.944 . 0 0 "[ . 1 . 2]" 1 492 1 30 PHE QD 1 81 ILE MD . . 5.500 5.228 4.806 5.498 . 0 0 "[ . 1 . 2]" 1 493 1 30 PHE QD 1 81 ILE MG . . 4.570 3.374 3.004 3.811 . 0 0 "[ . 1 . 2]" 1 494 1 30 PHE QD 1 85 GLN HG2 . . 5.120 4.699 4.188 5.064 . 0 0 "[ . 1 . 2]" 1 495 1 30 PHE QD 1 85 GLN HG3 . . 4.740 3.565 3.072 4.010 . 0 0 "[ . 1 . 2]" 1 496 1 30 PHE QE 1 85 GLN HG2 . . 5.500 5.172 4.714 5.499 . 0 0 "[ . 1 . 2]" 1 497 1 30 PHE QE 1 85 GLN HG3 . . 5.500 4.021 3.779 4.311 . 0 0 "[ . 1 . 2]" 1 498 1 31 VAL H 1 31 VAL HB . . 3.120 2.542 2.461 2.677 . 0 0 "[ . 1 . 2]" 1 499 1 31 VAL H 1 31 VAL MG1 . . 3.930 3.793 3.764 3.847 . 0 0 "[ . 1 . 2]" 1 500 1 31 VAL H 1 31 VAL MG2 . . 3.120 2.263 2.124 2.480 . 0 0 "[ . 1 . 2]" 1 501 1 31 VAL H 1 32 ILE H . . 3.030 2.293 2.076 2.468 . 0 0 "[ . 1 . 2]" 1 502 1 31 VAL H 1 32 ILE HB . . 4.830 4.546 4.352 4.709 . 0 0 "[ . 1 . 2]" 1 503 1 31 VAL H 1 52 ILE MD . . 5.140 4.736 4.375 5.069 . 0 0 "[ . 1 . 2]" 1 504 1 31 VAL HA 1 31 VAL MG1 . . 3.140 2.364 2.253 2.470 . 0 0 "[ . 1 . 2]" 1 505 1 31 VAL HA 1 31 VAL MG2 . . 3.150 2.433 2.370 2.524 . 0 0 "[ . 1 . 2]" 1 506 1 31 VAL HA 1 38 LYS HG2 . . 4.730 3.291 2.453 4.731 0.001 13 0 "[ . 1 . 2]" 1 507 1 31 VAL HA 1 38 LYS QG . . 4.070 2.787 2.398 3.205 . 0 0 "[ . 1 . 2]" 1 508 1 31 VAL HA 1 38 LYS HG3 . . 4.730 3.417 2.796 3.999 . 0 0 "[ . 1 . 2]" 1 509 1 31 VAL HA 1 81 ILE MD . . 3.330 3.190 2.919 3.330 0.000 15 0 "[ . 1 . 2]" 1 510 1 31 VAL HB 1 32 ILE H . . 3.470 2.833 2.687 3.178 . 0 0 "[ . 1 . 2]" 1 511 1 31 VAL HB 1 32 ILE HG12 . . 4.790 4.537 4.211 4.673 . 0 0 "[ . 1 . 2]" 1 512 1 31 VAL HB 1 52 ILE MD . . 3.560 3.109 2.727 3.508 . 0 0 "[ . 1 . 2]" 1 513 1 31 VAL HB 1 62 ILE MD . . 4.450 3.014 2.833 3.220 . 0 0 "[ . 1 . 2]" 1 514 1 31 VAL MG1 1 32 ILE H . . 4.010 3.676 3.481 3.978 . 0 0 "[ . 1 . 2]" 1 515 1 31 VAL MG1 1 32 ILE HA . . 4.690 3.660 3.403 3.980 . 0 0 "[ . 1 . 2]" 1 516 1 31 VAL MG1 1 39 LEU HA . . 3.550 3.449 3.214 3.549 . 0 0 "[ . 1 . 2]" 1 517 1 31 VAL MG1 1 50 ILE MG . . 3.390 3.118 2.931 3.355 . 0 0 "[ . 1 . 2]" 1 518 1 31 VAL MG1 1 52 ILE MD . . 3.080 2.957 2.607 3.080 . 9 0 "[ . 1 . 2]" 1 519 1 31 VAL MG1 1 62 ILE MD . . 3.290 2.426 2.039 2.720 . 0 0 "[ . 1 . 2]" 1 520 1 31 VAL MG2 1 32 ILE H . . 3.940 3.849 3.738 3.938 . 0 0 "[ . 1 . 2]" 1 521 1 31 VAL MG2 1 62 ILE MD . . 3.530 2.445 2.233 2.698 . 0 0 "[ . 1 . 2]" 1 522 1 31 VAL MG2 1 78 VAL HA . . 3.240 2.941 2.818 3.163 . 0 0 "[ . 1 . 2]" 1 523 1 31 VAL MG2 1 81 ILE HB . . 4.530 3.530 3.199 3.722 . 0 0 "[ . 1 . 2]" 1 524 1 32 ILE H 1 32 ILE HB . . 2.900 2.510 2.451 2.617 . 0 0 "[ . 1 . 2]" 1 525 1 32 ILE H 1 32 ILE MD . . 3.590 3.463 3.193 3.590 . 0 0 "[ . 1 . 2]" 1 526 1 32 ILE H 1 32 ILE HG12 . . 3.690 3.611 3.387 3.691 0.001 13 0 "[ . 1 . 2]" 1 527 1 32 ILE H 1 32 ILE HG13 . . 3.550 2.229 2.023 2.354 . 0 0 "[ . 1 . 2]" 1 528 1 32 ILE H 1 32 ILE MG . . 3.970 3.771 3.755 3.819 . 0 0 "[ . 1 . 2]" 1 529 1 32 ILE H 1 33 GLY H . . 3.330 2.509 2.196 2.624 . 0 0 "[ . 1 . 2]" 1 530 1 32 ILE H 1 52 ILE MD . . 4.150 3.774 3.562 4.067 . 0 0 "[ . 1 . 2]" 1 531 1 32 ILE HA 1 32 ILE MD . . 4.150 3.871 3.839 3.920 . 0 0 "[ . 1 . 2]" 1 532 1 32 ILE HA 1 32 ILE HG12 . . 4.150 2.649 2.557 2.829 . 0 0 "[ . 1 . 2]" 1 533 1 32 ILE HA 1 32 ILE HG13 . . 3.790 2.877 2.775 3.005 . 0 0 "[ . 1 . 2]" 1 534 1 32 ILE HA 1 32 ILE MG . . 3.500 2.372 2.275 2.449 . 0 0 "[ . 1 . 2]" 1 535 1 32 ILE HA 1 39 LEU H . . 3.580 2.770 2.183 3.168 . 0 0 "[ . 1 . 2]" 1 536 1 32 ILE HA 1 39 LEU HB2 . . 3.200 2.038 1.997 2.167 . 0 0 "[ . 1 . 2]" 1 537 1 32 ILE HA 1 39 LEU HB3 . . 3.650 2.532 2.187 2.699 . 0 0 "[ . 1 . 2]" 1 538 1 32 ILE HA 1 39 LEU MD1 . . 4.100 3.896 3.723 4.097 . 0 0 "[ . 1 . 2]" 1 539 1 32 ILE HA 1 39 LEU MD2 . . 3.690 3.367 3.182 3.668 . 0 0 "[ . 1 . 2]" 1 540 1 32 ILE HA 1 39 LEU HG . . 4.870 4.744 4.523 4.870 . 0 0 "[ . 1 . 2]" 1 541 1 32 ILE HA 1 40 GLN H . . 4.950 4.842 4.351 4.953 0.003 2 0 "[ . 1 . 2]" 1 542 1 32 ILE HA 1 52 ILE MD . . 4.370 3.441 3.239 3.901 . 0 0 "[ . 1 . 2]" 1 543 1 32 ILE HB 1 32 ILE MD . . 2.930 2.269 2.209 2.422 . 0 0 "[ . 1 . 2]" 1 544 1 32 ILE HB 1 33 GLY H . . 3.110 2.632 2.488 2.822 . 0 0 "[ . 1 . 2]" 1 545 1 32 ILE HB 1 33 GLY HA2 . . 4.930 4.882 4.827 4.916 . 0 0 "[ . 1 . 2]" 1 546 1 32 ILE HB 1 33 GLY QA . . 4.270 4.228 4.181 4.270 . 11 0 "[ . 1 . 2]" 1 547 1 32 ILE HB 1 33 GLY HA3 . . 4.930 4.633 4.555 4.689 . 0 0 "[ . 1 . 2]" 1 548 1 32 ILE MD 1 32 ILE MG . . 3.010 2.154 1.933 2.295 . 0 0 "[ . 1 . 2]" 1 549 1 32 ILE MD 1 33 GLY H . . 4.500 4.443 4.327 4.500 0.000 13 0 "[ . 1 . 2]" 1 550 1 32 ILE MD 1 52 ILE MD . . 2.950 2.212 1.987 2.554 . 0 0 "[ . 1 . 2]" 1 551 1 32 ILE MD 1 52 ILE MG . . 3.210 2.565 2.428 2.668 . 0 0 "[ . 1 . 2]" 1 552 1 32 ILE HG12 1 33 GLY H . . 5.270 5.043 4.971 5.158 . 0 0 "[ . 1 . 2]" 1 553 1 32 ILE HG12 1 39 LEU HB3 . . 4.080 4.002 3.492 4.086 0.006 18 0 "[ . 1 . 2]" 1 554 1 32 ILE HG12 1 39 LEU MD2 . . 3.140 2.944 2.722 3.094 . 0 0 "[ . 1 . 2]" 1 555 1 32 ILE HG12 1 52 ILE MD . . 3.300 1.963 1.873 2.162 . 0 0 "[ . 1 . 2]" 1 556 1 32 ILE HG12 1 52 ILE HG13 . . 4.560 4.506 4.379 4.559 . 0 0 "[ . 1 . 2]" 1 557 1 32 ILE HG12 1 52 ILE MG . . 4.090 3.948 3.618 4.091 0.001 4 0 "[ . 1 . 2]" 1 558 1 32 ILE HG13 1 33 GLY H . . 4.770 4.228 4.091 4.299 . 0 0 "[ . 1 . 2]" 1 559 1 32 ILE HG13 1 52 ILE MD . . 3.240 2.176 1.995 2.451 . 0 0 "[ . 1 . 2]" 1 560 1 32 ILE MG 1 33 GLY H . . 3.820 3.453 3.251 3.796 . 0 0 "[ . 1 . 2]" 1 561 1 32 ILE MG 1 36 GLY H . . 3.950 3.865 3.502 3.951 0.001 19 0 "[ . 1 . 2]" 1 562 1 32 ILE MG 1 36 GLY HA2 . . 3.480 2.014 1.947 2.140 . 0 0 "[ . 1 . 2]" 1 563 1 32 ILE MG 1 36 GLY QA . . 3.020 1.993 1.927 2.114 . 0 0 "[ . 1 . 2]" 1 564 1 32 ILE MG 1 36 GLY HA3 . . 3.480 3.181 3.064 3.337 . 0 0 "[ . 1 . 2]" 1 565 1 32 ILE MG 1 38 LYS H . . 4.940 4.444 3.958 4.763 . 0 0 "[ . 1 . 2]" 1 566 1 32 ILE MG 1 39 LEU H . . 4.550 3.590 3.055 3.802 . 0 0 "[ . 1 . 2]" 1 567 1 32 ILE MG 1 39 LEU HB2 . . 5.000 3.301 2.980 3.538 . 0 0 "[ . 1 . 2]" 1 568 1 32 ILE MG 1 39 LEU HB3 . . 4.310 2.739 2.494 2.981 . 0 0 "[ . 1 . 2]" 1 569 1 33 GLY H 1 34 LYS H . . 5.270 4.243 3.854 4.437 . 0 0 "[ . 1 . 2]" 1 570 1 33 GLY H 1 38 LYS HG2 . . 5.240 4.448 3.960 5.241 0.001 13 0 "[ . 1 . 2]" 1 571 1 33 GLY H 1 38 LYS QG . . 4.600 4.004 3.678 4.220 . 0 0 "[ . 1 . 2]" 1 572 1 33 GLY H 1 38 LYS HG3 . . 5.240 4.897 3.794 5.242 0.002 2 0 "[ . 1 . 2]" 1 573 1 33 GLY QA 1 38 LYS H . . 3.080 2.060 1.940 2.204 . 0 0 "[ . 1 . 2]" 1 574 1 33 GLY QA 1 39 LEU H . . 4.140 3.626 3.341 4.001 . 0 0 "[ . 1 . 2]" 1 575 1 33 GLY HA2 1 38 LYS H . . 3.620 3.357 3.204 3.608 . 0 0 "[ . 1 . 2]" 1 576 1 33 GLY HA2 1 38 LYS HB2 . . 4.160 2.393 2.000 2.841 . 0 0 "[ . 1 . 2]" 1 577 1 33 GLY HA2 1 38 LYS HB3 . . 4.200 2.825 2.428 3.437 . 0 0 "[ . 1 . 2]" 1 578 1 33 GLY HA3 1 38 LYS H . . 3.620 2.080 1.955 2.234 . 0 0 "[ . 1 . 2]" 1 579 1 33 GLY HA3 1 38 LYS HB2 . . 4.160 2.637 2.141 3.176 . 0 0 "[ . 1 . 2]" 1 580 1 33 GLY HA3 1 38 LYS HB3 . . 4.200 2.716 2.256 3.282 . 0 0 "[ . 1 . 2]" 1 581 1 34 LYS HA 1 34 LYS QD . . 4.590 3.392 2.043 4.407 . 0 0 "[ . 1 . 2]" 1 582 1 34 LYS HA 1 34 LYS HG2 . . 4.220 3.225 2.219 3.853 . 0 0 "[ . 1 . 2]" 1 583 1 34 LYS HA 1 34 LYS QG . . 3.460 2.704 2.152 3.342 . 0 0 "[ . 1 . 2]" 1 584 1 34 LYS HA 1 34 LYS HG3 . . 4.220 3.169 2.173 3.931 . 0 0 "[ . 1 . 2]" 1 585 1 34 LYS QB 1 34 LYS QE . . 4.400 2.925 1.969 3.777 . 0 0 "[ . 1 . 2]" 1 586 1 34 LYS QB 1 35 ASN QD . . 4.980 2.886 2.316 4.414 . 0 0 "[ . 1 . 2]" 1 587 1 34 LYS QD 1 35 ASN QD . . 5.180 3.681 1.822 5.170 . 0 0 "[ . 1 . 2]" 1 588 1 34 LYS QE 1 35 ASN QD . . 4.640 3.720 2.143 4.639 . 0 0 "[ . 1 . 2]" 1 589 1 34 LYS QG 1 35 ASN QD . . 4.030 3.065 1.811 4.029 . 0 0 "[ . 1 . 2]" 1 590 1 35 ASN QB 1 35 ASN QD . . 3.020 2.263 2.063 2.718 . 0 0 "[ . 1 . 2]" 1 591 1 35 ASN QB 1 37 GLU QB . . 5.180 4.630 3.757 5.179 . 0 0 "[ . 1 . 2]" 1 592 1 35 ASN QB 1 37 GLU QG . . 4.130 3.102 2.705 4.111 . 0 0 "[ . 1 . 2]" 1 593 1 35 ASN HB2 1 37 GLU QG . . 4.810 3.183 2.737 4.482 . 0 0 "[ . 1 . 2]" 1 594 1 35 ASN HB3 1 37 GLU QG . . 4.810 4.435 3.427 4.782 . 0 0 "[ . 1 . 2]" 1 595 1 35 ASN QD 1 37 GLU QG . . 5.260 4.300 2.957 5.173 . 0 0 "[ . 1 . 2]" 1 596 1 36 GLY H 1 38 LYS H . . 4.090 3.820 3.549 4.083 . 0 0 "[ . 1 . 2]" 1 597 1 37 GLU HA 1 40 GLN H . . 3.900 3.369 2.819 3.748 . 0 0 "[ . 1 . 2]" 1 598 1 37 GLU HA 1 40 GLN QB . . 3.390 2.956 2.517 3.385 . 0 0 "[ . 1 . 2]" 1 599 1 37 GLU HA 1 40 GLN HG2 . . 4.780 2.695 2.022 4.085 . 0 0 "[ . 1 . 2]" 1 600 1 37 GLU HA 1 40 GLN QG . . 4.020 2.209 2.013 2.432 . 0 0 "[ . 1 . 2]" 1 601 1 37 GLU HA 1 40 GLN HG3 . . 4.780 3.094 2.023 4.065 . 0 0 "[ . 1 . 2]" 1 602 1 37 GLU HA 1 41 ASP H . . 4.400 4.044 3.585 4.400 0.000 4 0 "[ . 1 . 2]" 1 603 1 37 GLU QB 1 38 LYS H . . 3.800 3.044 2.345 3.808 0.008 16 0 "[ . 1 . 2]" 1 604 1 37 GLU QB 1 38 LYS HA . . 5.020 4.015 3.700 4.489 . 0 0 "[ . 1 . 2]" 1 605 1 37 GLU QB 1 39 LEU H . . 5.500 5.067 4.425 5.491 . 0 0 "[ . 1 . 2]" 1 606 1 37 GLU QG 1 38 LYS H . . 4.590 3.269 2.261 3.738 . 0 0 "[ . 1 . 2]" 1 607 1 37 GLU QG 1 38 LYS HA . . 5.500 4.808 3.431 5.508 0.008 20 0 "[ . 1 . 2]" 1 608 1 38 LYS H 1 38 LYS HB2 . . 3.150 2.456 2.170 2.759 . 0 0 "[ . 1 . 2]" 1 609 1 38 LYS H 1 38 LYS HB3 . . 3.110 2.644 2.351 3.081 . 0 0 "[ . 1 . 2]" 1 610 1 38 LYS H 1 38 LYS QD . . 4.500 4.185 3.932 4.350 . 0 0 "[ . 1 . 2]" 1 611 1 38 LYS H 1 38 LYS QG . . 4.460 3.973 3.728 4.082 . 0 0 "[ . 1 . 2]" 1 612 1 38 LYS H 1 40 GLN H . . 4.320 4.225 3.999 4.359 0.039 13 0 "[ . 1 . 2]" 1 613 1 38 LYS HA 1 38 LYS HD2 . . 3.830 2.591 2.004 3.580 . 0 0 "[ . 1 . 2]" 1 614 1 38 LYS HA 1 38 LYS HD3 . . 3.830 2.933 2.018 3.669 . 0 0 "[ . 1 . 2]" 1 615 1 38 LYS HA 1 38 LYS QE . . 4.390 4.038 3.483 4.327 . 0 0 "[ . 1 . 2]" 1 616 1 38 LYS HA 1 38 LYS HG2 . . 4.120 3.497 2.464 3.862 . 0 0 "[ . 1 . 2]" 1 617 1 38 LYS HA 1 38 LYS QG . . 3.540 2.804 2.427 3.048 . 0 0 "[ . 1 . 2]" 1 618 1 38 LYS HA 1 38 LYS HG3 . . 4.120 3.169 2.805 3.680 . 0 0 "[ . 1 . 2]" 1 619 1 38 LYS HA 1 40 GLN H . . 4.970 4.596 4.394 4.791 . 0 0 "[ . 1 . 2]" 1 620 1 38 LYS HA 1 40 GLN QG . . 5.340 5.049 4.512 5.339 . 0 0 "[ . 1 . 2]" 1 621 1 38 LYS HA 1 41 ASP H . . 3.930 3.793 3.644 3.926 . 0 0 "[ . 1 . 2]" 1 622 1 38 LYS HA 1 41 ASP HB2 . . 3.910 3.733 3.562 3.910 . 0 0 "[ . 1 . 2]" 1 623 1 38 LYS HA 1 41 ASP HB3 . . 3.810 3.442 3.173 3.692 . 0 0 "[ . 1 . 2]" 1 624 1 38 LYS HA 1 42 LEU H . . 4.560 4.216 3.999 4.493 . 0 0 "[ . 1 . 2]" 1 625 1 38 LYS HB2 1 39 LEU H . . 4.210 3.729 3.310 4.054 . 0 0 "[ . 1 . 2]" 1 626 1 38 LYS HB3 1 39 LEU H . . 4.280 2.469 2.009 3.001 . 0 0 "[ . 1 . 2]" 1 627 1 38 LYS HB3 1 39 LEU HA . . 4.410 4.207 3.841 4.377 . 0 0 "[ . 1 . 2]" 1 628 1 38 LYS QE 1 38 LYS QG . . 2.680 2.216 2.062 2.359 . 0 0 "[ . 1 . 2]" 1 629 1 38 LYS QE 1 42 LEU MD2 . . 4.300 3.378 2.828 4.271 . 0 0 "[ . 1 . 2]" 1 630 1 38 LYS QE 1 42 LEU HG . . 4.160 2.991 2.029 4.164 0.004 18 0 "[ . 1 . 2]" 1 631 1 38 LYS HE2 1 38 LYS HG2 . . 4.090 3.041 2.103 3.747 . 0 0 "[ . 1 . 2]" 1 632 1 38 LYS HE2 1 38 LYS HG3 . . 4.090 3.114 2.275 3.756 . 0 0 "[ . 1 . 2]" 1 633 1 38 LYS HE2 1 81 ILE MD . . 3.930 2.829 1.935 3.795 . 0 0 "[ . 1 . 2]" 1 634 1 38 LYS HE3 1 38 LYS HG2 . . 4.090 3.107 2.438 3.820 . 0 0 "[ . 1 . 2]" 1 635 1 38 LYS HE3 1 38 LYS HG3 . . 4.090 3.060 2.263 4.091 0.001 9 0 "[ . 1 . 2]" 1 636 1 38 LYS HE3 1 81 ILE MD . . 3.930 2.988 1.950 3.893 . 0 0 "[ . 1 . 2]" 1 637 1 38 LYS QG 1 39 LEU H . . 4.460 3.618 2.741 4.496 0.036 13 0 "[ . 1 . 2]" 1 638 1 38 LYS HG2 1 39 LEU H . . 5.210 4.528 3.782 5.068 . 0 0 "[ . 1 . 2]" 1 639 1 38 LYS HG3 1 39 LEU H . . 5.210 3.827 2.814 5.025 . 0 0 "[ . 1 . 2]" 1 640 1 39 LEU H 1 39 LEU HB2 . . 3.030 2.878 2.708 3.031 0.001 2 0 "[ . 1 . 2]" 1 641 1 39 LEU H 1 39 LEU HB3 . . 3.200 2.235 2.169 2.344 . 0 0 "[ . 1 . 2]" 1 642 1 39 LEU H 1 39 LEU MD1 . . 4.470 4.288 4.197 4.370 . 0 0 "[ . 1 . 2]" 1 643 1 39 LEU H 1 39 LEU HG . . 4.660 4.222 4.097 4.368 . 0 0 "[ . 1 . 2]" 1 644 1 39 LEU H 1 40 GLN H . . 3.360 2.698 2.339 2.992 . 0 0 "[ . 1 . 2]" 1 645 1 39 LEU H 1 40 GLN QB . . 5.500 4.714 4.249 5.107 . 0 0 "[ . 1 . 2]" 1 646 1 39 LEU H 1 40 GLN QG . . 5.040 4.208 4.025 4.543 . 0 0 "[ . 1 . 2]" 1 647 1 39 LEU HA 1 39 LEU MD1 . . 3.070 2.408 2.269 2.586 . 0 0 "[ . 1 . 2]" 1 648 1 39 LEU HA 1 39 LEU MD2 . . 4.410 4.019 3.992 4.033 . 0 0 "[ . 1 . 2]" 1 649 1 39 LEU HA 1 39 LEU HG . . 3.730 3.316 3.194 3.401 . 0 0 "[ . 1 . 2]" 1 650 1 39 LEU HA 1 42 LEU H . . 3.600 3.499 3.266 3.601 0.001 20 0 "[ . 1 . 2]" 1 651 1 39 LEU HA 1 42 LEU HB2 . . 3.440 2.477 2.275 2.573 . 0 0 "[ . 1 . 2]" 1 652 1 39 LEU HA 1 42 LEU HB3 . . 4.060 3.947 3.719 4.062 0.002 13 0 "[ . 1 . 2]" 1 653 1 39 LEU HA 1 42 LEU MD1 . . 3.320 2.819 2.577 3.152 . 0 0 "[ . 1 . 2]" 1 654 1 39 LEU HA 1 42 LEU HG . . 4.390 4.137 3.822 4.278 . 0 0 "[ . 1 . 2]" 1 655 1 39 LEU HA 1 43 GLU H . . 4.120 3.863 3.732 4.023 . 0 0 "[ . 1 . 2]" 1 656 1 39 LEU HA 1 50 ILE MD . . 4.400 3.280 3.061 3.540 . 0 0 "[ . 1 . 2]" 1 657 1 39 LEU HB2 1 39 LEU MD1 . . 3.450 2.262 2.122 2.332 . 0 0 "[ . 1 . 2]" 1 658 1 39 LEU HB2 1 39 LEU MD2 . . 3.420 2.503 2.401 2.573 . 0 0 "[ . 1 . 2]" 1 659 1 39 LEU HB2 1 40 GLN H . . 4.020 4.010 3.966 4.056 0.036 18 0 "[ . 1 . 2]" 1 660 1 39 LEU HB3 1 39 LEU MD1 . . 3.610 3.173 3.147 3.184 . 0 0 "[ . 1 . 2]" 1 661 1 39 LEU HB3 1 39 LEU MD2 . . 3.400 2.199 2.115 2.307 . 0 0 "[ . 1 . 2]" 1 662 1 39 LEU HB3 1 40 GLN H . . 3.350 2.691 2.639 2.753 . 0 0 "[ . 1 . 2]" 1 663 1 39 LEU MD1 1 42 LEU HB2 . . 4.220 3.527 3.170 3.816 . 0 0 "[ . 1 . 2]" 1 664 1 39 LEU MD1 1 43 GLU H . . 4.320 3.532 3.126 3.912 . 0 0 "[ . 1 . 2]" 1 665 1 39 LEU MD1 1 43 GLU HG2 . . 4.260 3.314 3.165 3.656 . 0 0 "[ . 1 . 2]" 1 666 1 39 LEU MD1 1 43 GLU HG3 . . 3.960 2.110 1.946 2.547 . 0 0 "[ . 1 . 2]" 1 667 1 39 LEU MD1 1 50 ILE H . . 3.960 3.704 3.624 3.824 . 0 0 "[ . 1 . 2]" 1 668 1 39 LEU MD1 1 50 ILE HB . . 3.100 1.985 1.895 2.152 . 0 0 "[ . 1 . 2]" 1 669 1 39 LEU MD1 1 50 ILE MD . . 3.180 1.934 1.822 2.152 . 0 0 "[ . 1 . 2]" 1 670 1 39 LEU MD1 1 50 ILE MG . . 3.120 2.128 1.910 2.529 . 0 0 "[ . 1 . 2]" 1 671 1 39 LEU MD1 1 52 ILE MD . . 3.250 2.739 2.341 3.054 . 0 0 "[ . 1 . 2]" 1 672 1 39 LEU MD1 1 52 ILE HG13 . . 4.120 3.523 2.983 3.882 . 0 0 "[ . 1 . 2]" 1 673 1 39 LEU MD2 1 40 GLN H . . 4.180 3.800 3.679 4.014 . 0 0 "[ . 1 . 2]" 1 674 1 39 LEU MD2 1 52 ILE MD . . 3.210 2.643 2.262 3.062 . 0 0 "[ . 1 . 2]" 1 675 1 39 LEU HG 1 40 GLN H . . 4.100 3.079 2.880 3.306 . 0 0 "[ . 1 . 2]" 1 676 1 39 LEU HG 1 40 GLN HA . . 4.760 3.080 2.969 3.218 . 0 0 "[ . 1 . 2]" 1 677 1 39 LEU HG 1 43 GLU H . . 4.720 4.265 3.986 4.459 . 0 0 "[ . 1 . 2]" 1 678 1 39 LEU HG 1 43 GLU HG2 . . 5.220 4.919 4.506 5.196 . 0 0 "[ . 1 . 2]" 1 679 1 39 LEU HG 1 43 GLU HG3 . . 4.450 3.405 3.021 3.730 . 0 0 "[ . 1 . 2]" 1 680 1 40 GLN H 1 40 GLN QB . . 2.860 2.439 2.163 2.674 . 0 0 "[ . 1 . 2]" 1 681 1 40 GLN H 1 40 GLN HG2 . . 4.270 2.486 1.901 2.896 . 0 0 "[ . 1 . 2]" 1 682 1 40 GLN H 1 40 GLN QG . . 3.540 2.307 1.892 2.832 . 0 0 "[ . 1 . 2]" 1 683 1 40 GLN H 1 40 GLN HG3 . . 4.270 3.314 2.073 4.006 . 0 0 "[ . 1 . 2]" 1 684 1 40 GLN H 1 41 ASP H . . 3.570 2.829 2.626 3.049 . 0 0 "[ . 1 . 2]" 1 685 1 40 GLN H 1 41 ASP HB2 . . 5.230 4.947 4.703 5.172 . 0 0 "[ . 1 . 2]" 1 686 1 40 GLN H 1 42 LEU H . . 4.450 4.143 4.016 4.307 . 0 0 "[ . 1 . 2]" 1 687 1 40 GLN H 1 43 GLU H . . 5.210 4.836 4.729 4.968 . 0 0 "[ . 1 . 2]" 1 688 1 40 GLN HA 1 40 GLN HG2 . . 4.080 3.340 2.539 3.845 . 0 0 "[ . 1 . 2]" 1 689 1 40 GLN HA 1 40 GLN HG3 . . 4.080 3.609 3.453 3.795 . 0 0 "[ . 1 . 2]" 1 690 1 40 GLN HA 1 42 LEU H . . 4.890 4.457 4.218 4.648 . 0 0 "[ . 1 . 2]" 1 691 1 40 GLN HA 1 43 GLU H . . 4.220 3.770 3.593 3.960 . 0 0 "[ . 1 . 2]" 1 692 1 40 GLN HA 1 43 GLU QB . . 4.610 2.875 2.677 3.127 . 0 0 "[ . 1 . 2]" 1 693 1 40 GLN HA 1 43 GLU HG3 . . 5.080 4.283 4.078 4.475 . 0 0 "[ . 1 . 2]" 1 694 1 40 GLN HA 1 44 LEU H . . 4.850 4.522 4.340 4.695 . 0 0 "[ . 1 . 2]" 1 695 1 40 GLN QB 1 41 ASP H . . 3.440 2.711 2.074 3.445 0.005 18 0 "[ . 1 . 2]" 1 696 1 40 GLN QB 1 41 ASP HA . . 5.290 4.143 3.745 4.638 . 0 0 "[ . 1 . 2]" 1 697 1 40 GLN QB 1 41 ASP HB2 . . 5.500 4.287 3.735 4.922 . 0 0 "[ . 1 . 2]" 1 698 1 40 GLN QB 1 44 LEU MD1 . . 4.720 3.788 3.422 4.327 . 0 0 "[ . 1 . 2]" 1 699 1 40 GLN QB 1 44 LEU HG . . 5.050 4.751 4.536 5.009 . 0 0 "[ . 1 . 2]" 1 700 1 40 GLN QE 1 44 LEU MD1 . . 4.410 4.030 3.097 4.409 . 0 0 "[ . 1 . 2]" 1 701 1 40 GLN QG 1 41 ASP H . . 4.260 2.974 1.924 3.729 . 0 0 "[ . 1 . 2]" 1 702 1 40 GLN HG2 1 41 ASP H . . 4.950 3.305 2.016 4.579 . 0 0 "[ . 1 . 2]" 1 703 1 40 GLN HG3 1 41 ASP H . . 4.950 3.556 2.435 4.655 . 0 0 "[ . 1 . 2]" 1 704 1 41 ASP H 1 41 ASP HB2 . . 3.050 2.290 2.226 2.346 . 0 0 "[ . 1 . 2]" 1 705 1 41 ASP H 1 41 ASP HB3 . . 3.060 2.821 2.748 2.883 . 0 0 "[ . 1 . 2]" 1 706 1 41 ASP H 1 42 LEU H . . 3.370 2.682 2.396 2.879 . 0 0 "[ . 1 . 2]" 1 707 1 41 ASP H 1 43 GLU H . . 4.700 4.450 4.231 4.654 . 0 0 "[ . 1 . 2]" 1 708 1 41 ASP H 1 44 LEU H . . 5.220 4.950 4.877 5.049 . 0 0 "[ . 1 . 2]" 1 709 1 41 ASP HA 1 43 GLU H . . 5.160 4.803 4.681 4.925 . 0 0 "[ . 1 . 2]" 1 710 1 41 ASP HA 1 44 LEU H . . 3.880 3.665 3.548 3.800 . 0 0 "[ . 1 . 2]" 1 711 1 41 ASP HA 1 44 LEU HB2 . . 3.990 2.852 2.686 2.948 . 0 0 "[ . 1 . 2]" 1 712 1 41 ASP HA 1 44 LEU HB3 . . 4.520 4.413 4.188 4.498 . 0 0 "[ . 1 . 2]" 1 713 1 41 ASP HA 1 44 LEU MD1 . . 4.020 2.973 2.619 3.357 . 0 0 "[ . 1 . 2]" 1 714 1 41 ASP HA 1 44 LEU HG . . 4.530 4.376 4.099 4.517 . 0 0 "[ . 1 . 2]" 1 715 1 41 ASP HA 1 45 LYS H . . 4.330 3.799 3.654 3.986 . 0 0 "[ . 1 . 2]" 1 716 1 41 ASP HB2 1 42 LEU H . . 3.750 3.678 3.596 3.750 0.000 11 0 "[ . 1 . 2]" 1 717 1 41 ASP HB3 1 42 LEU H . . 3.490 2.638 2.437 2.880 . 0 0 "[ . 1 . 2]" 1 718 1 41 ASP HB3 1 42 LEU HG . . 4.950 3.838 3.764 3.913 . 0 0 "[ . 1 . 2]" 1 719 1 42 LEU H 1 42 LEU HB2 . . 3.250 2.178 2.160 2.206 . 0 0 "[ . 1 . 2]" 1 720 1 42 LEU H 1 42 LEU HB3 . . 3.720 3.490 3.477 3.508 . 0 0 "[ . 1 . 2]" 1 721 1 42 LEU H 1 42 LEU MD1 . . 4.060 3.737 3.535 3.870 . 0 0 "[ . 1 . 2]" 1 722 1 42 LEU H 1 42 LEU MD2 . . 4.100 3.911 3.775 4.068 . 0 0 "[ . 1 . 2]" 1 723 1 42 LEU H 1 42 LEU HG . . 3.510 2.934 2.840 3.067 . 0 0 "[ . 1 . 2]" 1 724 1 42 LEU H 1 43 GLU H . . 3.410 2.790 2.599 2.953 . 0 0 "[ . 1 . 2]" 1 725 1 42 LEU H 1 44 LEU H . . 4.570 4.014 3.805 4.186 . 0 0 "[ . 1 . 2]" 1 726 1 42 LEU H 1 50 ILE MD . . 4.980 4.449 4.250 4.710 . 0 0 "[ . 1 . 2]" 1 727 1 42 LEU HA 1 42 LEU MD2 . . 3.200 2.105 1.983 2.262 . 0 0 "[ . 1 . 2]" 1 728 1 42 LEU HA 1 42 LEU HG . . 4.140 2.749 2.608 2.854 . 0 0 "[ . 1 . 2]" 1 729 1 42 LEU HA 1 45 LYS H . . 3.900 3.724 3.434 3.869 . 0 0 "[ . 1 . 2]" 1 730 1 42 LEU HA 1 45 LYS HB2 . . 4.470 3.804 3.499 4.069 . 0 0 "[ . 1 . 2]" 1 731 1 42 LEU HA 1 45 LYS QB . . 3.700 2.752 2.661 2.877 . 0 0 "[ . 1 . 2]" 1 732 1 42 LEU HA 1 45 LYS HB3 . . 4.470 2.829 2.707 2.991 . 0 0 "[ . 1 . 2]" 1 733 1 42 LEU HA 1 45 LYS QE . . 4.410 3.497 2.794 4.235 . 0 0 "[ . 1 . 2]" 1 734 1 42 LEU HA 1 46 THR H . . 4.480 3.646 3.448 3.838 . 0 0 "[ . 1 . 2]" 1 735 1 42 LEU HA 1 46 THR MG . . 4.130 3.025 2.804 3.510 . 0 0 "[ . 1 . 2]" 1 736 1 42 LEU HB2 1 42 LEU MD1 . . 3.470 2.311 2.178 2.418 . 0 0 "[ . 1 . 2]" 1 737 1 42 LEU HB2 1 42 LEU MD2 . . 3.580 3.179 3.165 3.193 . 0 0 "[ . 1 . 2]" 1 738 1 42 LEU HB2 1 43 GLU H . . 3.570 2.567 2.465 2.651 . 0 0 "[ . 1 . 2]" 1 739 1 42 LEU HB2 1 43 GLU HA . . 4.920 4.634 4.606 4.657 . 0 0 "[ . 1 . 2]" 1 740 1 42 LEU HB2 1 50 ILE MD . . 3.900 2.887 2.713 3.057 . 0 0 "[ . 1 . 2]" 1 741 1 42 LEU HB3 1 42 LEU MD1 . . 3.520 2.371 2.241 2.475 . 0 0 "[ . 1 . 2]" 1 742 1 42 LEU HB3 1 42 LEU MD2 . . 3.430 2.296 2.212 2.358 . 0 0 "[ . 1 . 2]" 1 743 1 42 LEU HB3 1 43 GLU H . . 3.680 2.980 2.835 3.083 . 0 0 "[ . 1 . 2]" 1 744 1 42 LEU HB3 1 50 ILE MD . . 3.260 2.244 2.101 2.426 . 0 0 "[ . 1 . 2]" 1 745 1 42 LEU MD1 1 50 ILE MD . . 3.060 2.631 2.485 2.847 . 0 0 "[ . 1 . 2]" 1 746 1 42 LEU MD1 1 77 GLU HB2 . . 3.950 3.511 2.915 3.833 . 0 0 "[ . 1 . 2]" 1 747 1 42 LEU MD1 1 77 GLU HB3 . . 3.760 3.454 3.033 3.692 . 0 0 "[ . 1 . 2]" 1 748 1 42 LEU MD2 1 43 GLU H . . 4.510 4.492 4.422 4.516 0.006 13 0 "[ . 1 . 2]" 1 749 1 42 LEU MD2 1 74 ALA HA . . 3.900 2.764 2.431 3.028 . 0 0 "[ . 1 . 2]" 1 750 1 42 LEU MD2 1 74 ALA MB . . 3.480 3.158 2.919 3.443 . 0 0 "[ . 1 . 2]" 1 751 1 42 LEU MD2 1 77 GLU H . . 4.790 4.476 4.253 4.741 . 0 0 "[ . 1 . 2]" 1 752 1 42 LEU MD2 1 77 GLU HB2 . . 3.640 2.537 2.273 2.736 . 0 0 "[ . 1 . 2]" 1 753 1 42 LEU MD2 1 77 GLU HB3 . . 3.410 2.799 2.408 3.113 . 0 0 "[ . 1 . 2]" 1 754 1 42 LEU MD2 1 77 GLU HG2 . . 4.330 3.798 3.504 4.031 . 0 0 "[ . 1 . 2]" 1 755 1 42 LEU MD2 1 77 GLU HG3 . . 3.510 2.562 2.297 2.773 . 0 0 "[ . 1 . 2]" 1 756 1 42 LEU MD2 1 78 VAL H . . 4.510 4.237 3.924 4.506 . 0 0 "[ . 1 . 2]" 1 757 1 42 LEU HG 1 43 GLU H . . 5.000 4.701 4.652 4.741 . 0 0 "[ . 1 . 2]" 1 758 1 42 LEU HG 1 50 ILE MD . . 4.720 4.482 4.359 4.617 . 0 0 "[ . 1 . 2]" 1 759 1 43 GLU H 1 43 GLU QB . . 3.180 2.262 2.221 2.344 . 0 0 "[ . 1 . 2]" 1 760 1 43 GLU H 1 43 GLU HG2 . . 3.860 3.786 3.575 3.856 . 0 0 "[ . 1 . 2]" 1 761 1 43 GLU H 1 43 GLU HG3 . . 3.440 2.640 2.429 2.749 . 0 0 "[ . 1 . 2]" 1 762 1 43 GLU H 1 44 LEU H . . 3.340 2.805 2.715 2.924 . 0 0 "[ . 1 . 2]" 1 763 1 43 GLU H 1 46 THR HG1 . . 5.230 4.332 4.165 4.601 . 0 0 "[ . 1 . 2]" 1 764 1 43 GLU H 1 48 THR H . . 5.500 5.411 5.226 5.486 . 0 0 "[ . 1 . 2]" 1 765 1 43 GLU H 1 50 ILE MD . . 4.180 2.951 2.777 3.123 . 0 0 "[ . 1 . 2]" 1 766 1 43 GLU H 1 50 ILE HG13 . . 5.450 4.825 4.625 5.062 . 0 0 "[ . 1 . 2]" 1 767 1 43 GLU HA 1 43 GLU HG2 . . 3.600 2.430 2.301 2.551 . 0 0 "[ . 1 . 2]" 1 768 1 43 GLU HA 1 43 GLU HG3 . . 3.610 2.795 2.716 3.032 . 0 0 "[ . 1 . 2]" 1 769 1 43 GLU HA 1 44 LEU HA . . 5.150 4.691 4.634 4.723 . 0 0 "[ . 1 . 2]" 1 770 1 43 GLU HA 1 45 LYS H . . 5.500 5.351 5.161 5.445 . 0 0 "[ . 1 . 2]" 1 771 1 43 GLU HA 1 46 THR H . . 4.250 4.115 4.003 4.232 . 0 0 "[ . 1 . 2]" 1 772 1 43 GLU HA 1 46 THR HG1 . . 3.940 2.674 2.510 2.866 . 0 0 "[ . 1 . 2]" 1 773 1 43 GLU HA 1 47 ALA H . . 4.190 3.952 3.810 4.100 . 0 0 "[ . 1 . 2]" 1 774 1 43 GLU HA 1 47 ALA HA . . 5.490 4.593 4.421 4.732 . 0 0 "[ . 1 . 2]" 1 775 1 43 GLU HA 1 48 THR H . . 2.910 2.813 2.572 2.909 . 0 0 "[ . 1 . 2]" 1 776 1 43 GLU HA 1 50 ILE H . . 4.660 4.013 3.825 4.238 . 0 0 "[ . 1 . 2]" 1 777 1 43 GLU HA 1 50 ILE MD . . 3.700 2.760 2.509 2.976 . 0 0 "[ . 1 . 2]" 1 778 1 43 GLU HA 1 50 ILE HG12 . . 5.500 4.863 4.664 5.085 . 0 0 "[ . 1 . 2]" 1 779 1 43 GLU HA 1 50 ILE HG13 . . 4.680 3.382 3.148 3.632 . 0 0 "[ . 1 . 2]" 1 780 1 43 GLU QB 1 44 LEU H . . 3.360 2.790 2.654 3.065 . 0 0 "[ . 1 . 2]" 1 781 1 43 GLU QB 1 44 LEU HA . . 5.070 3.918 3.860 4.044 . 0 0 "[ . 1 . 2]" 1 782 1 43 GLU QB 1 48 THR H . . 4.430 4.111 3.622 4.347 . 0 0 "[ . 1 . 2]" 1 783 1 43 GLU QB 1 50 ILE H . . 4.600 4.125 3.777 4.336 . 0 0 "[ . 1 . 2]" 1 784 1 43 GLU QB 1 50 ILE MD . . 4.510 3.753 3.475 3.911 . 0 0 "[ . 1 . 2]" 1 785 1 43 GLU HG2 1 48 THR H . . 4.660 4.328 3.985 4.515 . 0 0 "[ . 1 . 2]" 1 786 1 43 GLU HG2 1 49 LYS HA . . 4.860 3.162 3.041 3.342 . 0 0 "[ . 1 . 2]" 1 787 1 43 GLU HG2 1 50 ILE H . . 3.790 2.093 1.902 2.298 . 0 0 "[ . 1 . 2]" 1 788 1 43 GLU HG2 1 50 ILE HB . . 4.510 3.083 2.856 3.325 . 0 0 "[ . 1 . 2]" 1 789 1 43 GLU HG2 1 50 ILE MD . . 3.880 3.080 2.628 3.322 . 0 0 "[ . 1 . 2]" 1 790 1 43 GLU HG2 1 50 ILE HG12 . . 5.060 4.455 3.850 4.723 . 0 0 "[ . 1 . 2]" 1 791 1 43 GLU HG2 1 50 ILE HG13 . . 4.800 2.793 2.175 3.083 . 0 0 "[ . 1 . 2]" 1 792 1 43 GLU HG3 1 44 LEU H . . 4.900 4.751 4.663 4.843 . 0 0 "[ . 1 . 2]" 1 793 1 43 GLU HG3 1 48 THR H . . 5.500 5.400 5.276 5.483 . 0 0 "[ . 1 . 2]" 1 794 1 43 GLU HG3 1 49 LYS HA . . 5.000 4.803 4.637 4.989 . 0 0 "[ . 1 . 2]" 1 795 1 43 GLU HG3 1 50 ILE H . . 4.170 3.232 3.004 3.396 . 0 0 "[ . 1 . 2]" 1 796 1 43 GLU HG3 1 50 ILE HB . . 4.280 2.686 2.438 2.955 . 0 0 "[ . 1 . 2]" 1 797 1 43 GLU HG3 1 50 ILE MD . . 4.020 2.346 2.011 2.685 . 0 0 "[ . 1 . 2]" 1 798 1 43 GLU HG3 1 50 ILE HG13 . . 4.920 3.225 2.898 3.507 . 0 0 "[ . 1 . 2]" 1 799 1 44 LEU H 1 44 LEU HB2 . . 3.050 2.254 2.221 2.291 . 0 0 "[ . 1 . 2]" 1 800 1 44 LEU H 1 44 LEU HB3 . . 3.530 3.538 3.512 3.557 0.027 20 0 "[ . 1 . 2]" 1 801 1 44 LEU H 1 44 LEU MD1 . . 4.120 3.700 3.447 3.952 . 0 0 "[ . 1 . 2]" 1 802 1 44 LEU H 1 44 LEU MD2 . . 4.530 3.931 3.701 4.091 . 0 0 "[ . 1 . 2]" 1 803 1 44 LEU H 1 44 LEU HG . . 3.230 2.909 2.758 3.148 . 0 0 "[ . 1 . 2]" 1 804 1 44 LEU H 1 45 LYS H . . 3.210 2.717 2.478 2.820 . 0 0 "[ . 1 . 2]" 1 805 1 44 LEU H 1 45 LYS QB . . 4.880 4.282 4.108 4.374 . 0 0 "[ . 1 . 2]" 1 806 1 44 LEU HA 1 44 LEU MD2 . . 3.210 2.152 1.958 2.413 . 0 0 "[ . 1 . 2]" 1 807 1 44 LEU HA 1 44 LEU HG . . 3.650 2.809 2.635 3.006 . 0 0 "[ . 1 . 2]" 1 808 1 44 LEU HA 1 46 THR H . . 4.690 4.185 4.040 4.402 . 0 0 "[ . 1 . 2]" 1 809 1 44 LEU HB2 1 44 LEU MD1 . . 3.390 2.212 2.015 2.400 . 0 0 "[ . 1 . 2]" 1 810 1 44 LEU HB2 1 45 LYS H . . 3.970 2.269 2.179 2.423 . 0 0 "[ . 1 . 2]" 1 811 1 44 LEU HB2 1 45 LYS HA . . 4.730 4.472 4.395 4.567 . 0 0 "[ . 1 . 2]" 1 812 1 44 LEU HB3 1 44 LEU MD1 . . 3.370 2.448 2.273 2.620 . 0 0 "[ . 1 . 2]" 1 813 1 44 LEU HB3 1 44 LEU MD2 . . 3.540 2.259 2.101 2.362 . 0 0 "[ . 1 . 2]" 1 814 1 44 LEU HB3 1 45 LYS H . . 3.110 2.859 2.784 2.965 . 0 0 "[ . 1 . 2]" 1 815 1 44 LEU HB3 1 45 LYS HA . . 4.090 3.958 3.910 4.004 . 0 0 "[ . 1 . 2]" 1 816 1 44 LEU HB3 1 47 ALA H . . 5.020 4.774 4.684 4.938 . 0 0 "[ . 1 . 2]" 1 817 1 44 LEU MD1 1 45 LYS H . . 4.600 4.069 3.912 4.290 . 0 0 "[ . 1 . 2]" 1 818 1 44 LEU MD2 1 45 LYS H . . 5.060 4.455 4.386 4.514 . 0 0 "[ . 1 . 2]" 1 819 1 44 LEU HG 1 45 LYS H . . 4.590 4.502 4.445 4.591 0.001 10 0 "[ . 1 . 2]" 1 820 1 45 LYS H 1 45 LYS HB2 . . 3.090 2.365 2.254 2.540 . 0 0 "[ . 1 . 2]" 1 821 1 45 LYS H 1 45 LYS HB3 . . 3.090 2.730 2.526 2.890 . 0 0 "[ . 1 . 2]" 1 822 1 45 LYS H 1 45 LYS QG . . 4.040 3.941 3.892 4.018 . 0 0 "[ . 1 . 2]" 1 823 1 45 LYS H 1 46 THR H . . 3.340 2.887 2.800 2.972 . 0 0 "[ . 1 . 2]" 1 824 1 45 LYS H 1 46 THR HG1 . . 4.680 4.629 4.491 4.676 . 0 0 "[ . 1 . 2]" 1 825 1 45 LYS H 1 46 THR MG . . 4.440 4.262 4.054 4.386 . 0 0 "[ . 1 . 2]" 1 826 1 45 LYS H 1 47 ALA H . . 4.340 3.886 3.819 3.926 . 0 0 "[ . 1 . 2]" 1 827 1 45 LYS HA 1 45 LYS QG . . 3.370 2.388 2.242 2.514 . 0 0 "[ . 1 . 2]" 1 828 1 45 LYS HA 1 47 ALA H . . 4.950 4.320 4.183 4.417 . 0 0 "[ . 1 . 2]" 1 829 1 45 LYS QB 1 45 LYS QD . . 3.240 2.175 2.074 2.306 . 0 0 "[ . 1 . 2]" 1 830 1 45 LYS QB 1 45 LYS QE . . 3.450 2.265 1.970 3.102 . 0 0 "[ . 1 . 2]" 1 831 1 45 LYS QB 1 47 ALA H . . 4.850 4.450 4.377 4.538 . 0 0 "[ . 1 . 2]" 1 832 1 45 LYS HB2 1 45 LYS QD . . 3.780 2.476 2.153 3.397 . 0 0 "[ . 1 . 2]" 1 833 1 45 LYS HB2 1 45 LYS QE . . 3.970 3.006 2.383 3.967 . 0 0 "[ . 1 . 2]" 1 834 1 45 LYS HB2 1 46 THR H . . 3.930 3.858 3.716 3.926 . 0 0 "[ . 1 . 2]" 1 835 1 45 LYS HB3 1 45 LYS QD . . 3.780 2.679 2.115 3.027 . 0 0 "[ . 1 . 2]" 1 836 1 45 LYS HB3 1 45 LYS QE . . 3.970 2.444 1.995 3.239 . 0 0 "[ . 1 . 2]" 1 837 1 45 LYS HB3 1 46 THR H . . 3.930 2.692 2.544 2.844 . 0 0 "[ . 1 . 2]" 1 838 1 45 LYS QE 1 45 LYS QG . . 3.180 2.323 2.082 2.603 . 0 0 "[ . 1 . 2]" 1 839 1 45 LYS QE 1 46 THR MG . . 4.960 3.250 2.188 4.794 . 0 0 "[ . 1 . 2]" 1 840 1 45 LYS QG 1 46 THR H . . 4.030 3.885 3.583 4.031 0.001 2 0 "[ . 1 . 2]" 1 841 1 46 THR H 1 46 THR HG1 . . 3.030 2.157 2.063 2.295 . 0 0 "[ . 1 . 2]" 1 842 1 46 THR H 1 46 THR MG . . 3.350 2.238 2.124 2.318 . 0 0 "[ . 1 . 2]" 1 843 1 46 THR H 1 47 ALA H . . 2.940 2.164 2.078 2.262 . 0 0 "[ . 1 . 2]" 1 844 1 46 THR H 1 47 ALA HA . . 4.820 4.411 4.318 4.516 . 0 0 "[ . 1 . 2]" 1 845 1 46 THR H 1 48 THR H . . 4.180 3.960 3.867 4.133 . 0 0 "[ . 1 . 2]" 1 846 1 46 THR H 1 48 THR MG . . 4.780 4.742 4.600 4.789 0.009 18 0 "[ . 1 . 2]" 1 847 1 46 THR H 1 50 ILE MD . . 5.330 5.203 5.089 5.309 . 0 0 "[ . 1 . 2]" 1 848 1 46 THR HA 1 46 THR MG . . 3.180 2.506 2.457 2.559 . 0 0 "[ . 1 . 2]" 1 849 1 46 THR HA 1 47 ALA MB . . 3.950 3.859 3.824 3.951 0.001 5 0 "[ . 1 . 2]" 1 850 1 46 THR HA 1 48 THR MG . . 4.750 3.838 3.757 3.979 . 0 0 "[ . 1 . 2]" 1 851 1 46 THR HA 1 73 LYS HB2 . . 4.620 3.397 3.076 3.601 . 0 0 "[ . 1 . 2]" 1 852 1 46 THR HA 1 73 LYS HB3 . . 5.490 3.871 3.607 4.152 . 0 0 "[ . 1 . 2]" 1 853 1 46 THR HA 1 73 LYS QD . . 4.270 2.874 2.388 3.977 . 0 0 "[ . 1 . 2]" 1 854 1 46 THR HA 1 73 LYS QE . . 5.500 3.895 2.040 5.338 . 0 0 "[ . 1 . 2]" 1 855 1 46 THR HB 1 47 ALA H . . 4.860 4.190 4.125 4.259 . 0 0 "[ . 1 . 2]" 1 856 1 46 THR HB 1 48 THR H . . 4.650 3.989 3.752 4.366 . 0 0 "[ . 1 . 2]" 1 857 1 46 THR HB 1 48 THR MG . . 3.780 2.436 2.349 2.557 . 0 0 "[ . 1 . 2]" 1 858 1 46 THR HB 1 70 GLY HA2 . . 4.530 3.089 2.790 3.326 . 0 0 "[ . 1 . 2]" 1 859 1 46 THR HB 1 73 LYS HB2 . . 4.830 2.853 2.645 3.168 . 0 0 "[ . 1 . 2]" 1 860 1 46 THR HB 1 73 LYS HB3 . . 4.850 3.742 3.510 4.019 . 0 0 "[ . 1 . 2]" 1 861 1 46 THR HB 1 74 ALA H . . 4.100 2.960 2.763 3.103 . 0 0 "[ . 1 . 2]" 1 862 1 46 THR HB 1 74 ALA MB . . 4.050 2.910 2.663 3.057 . 0 0 "[ . 1 . 2]" 1 863 1 46 THR HG1 1 46 THR MG . . 3.370 2.495 2.235 2.614 . 0 0 "[ . 1 . 2]" 1 864 1 46 THR HG1 1 47 ALA H . . 3.750 2.603 2.342 3.005 . 0 0 "[ . 1 . 2]" 1 865 1 46 THR HG1 1 48 THR H . . 3.440 2.471 2.248 2.864 . 0 0 "[ . 1 . 2]" 1 866 1 46 THR HG1 1 50 ILE MD . . 4.620 3.789 3.512 4.110 . 0 0 "[ . 1 . 2]" 1 867 1 46 THR HG1 1 74 ALA H . . 5.500 5.192 4.955 5.402 . 0 0 "[ . 1 . 2]" 1 868 1 46 THR HG1 1 74 ALA MB . . 4.300 3.536 3.291 3.829 . 0 0 "[ . 1 . 2]" 1 869 1 46 THR MG 1 47 ALA H . . 4.240 3.877 3.786 3.955 . 0 0 "[ . 1 . 2]" 1 870 1 46 THR MG 1 48 THR H . . 4.800 4.410 4.284 4.648 . 0 0 "[ . 1 . 2]" 1 871 1 46 THR MG 1 73 LYS H . . 4.700 4.368 4.171 4.542 . 0 0 "[ . 1 . 2]" 1 872 1 46 THR MG 1 73 LYS HB2 . . 3.450 2.478 2.209 2.719 . 0 0 "[ . 1 . 2]" 1 873 1 46 THR MG 1 73 LYS HB3 . . 3.490 2.061 1.972 2.348 . 0 0 "[ . 1 . 2]" 1 874 1 46 THR MG 1 73 LYS QE . . 5.490 4.041 2.428 5.263 . 0 0 "[ . 1 . 2]" 1 875 1 46 THR MG 1 74 ALA H . . 3.730 2.707 2.567 2.908 . 0 0 "[ . 1 . 2]" 1 876 1 46 THR MG 1 74 ALA HA . . 3.360 2.449 2.305 2.675 . 0 0 "[ . 1 . 2]" 1 877 1 46 THR MG 1 74 ALA MB . . 3.420 2.101 1.943 2.433 . 0 0 "[ . 1 . 2]" 1 878 1 46 THR MG 1 77 GLU H . . 5.350 5.022 4.882 5.185 . 0 0 "[ . 1 . 2]" 1 879 1 46 THR MG 1 77 GLU HG2 . . 4.590 4.415 4.215 4.548 . 0 0 "[ . 1 . 2]" 1 880 1 46 THR MG 1 77 GLU HG3 . . 4.040 3.862 3.609 4.017 . 0 0 "[ . 1 . 2]" 1 881 1 47 ALA H 1 47 ALA HA . . 2.730 2.277 2.276 2.282 . 0 0 "[ . 1 . 2]" 1 882 1 47 ALA H 1 47 ALA MB . . 3.260 2.865 2.829 2.917 . 0 0 "[ . 1 . 2]" 1 883 1 47 ALA H 1 48 THR H . . 3.250 2.724 2.659 2.852 . 0 0 "[ . 1 . 2]" 1 884 1 47 ALA H 1 48 THR MG . . 4.760 4.155 3.976 4.253 . 0 0 "[ . 1 . 2]" 1 885 1 47 ALA HA 1 48 THR H . . 3.100 2.843 2.716 2.892 . 0 0 "[ . 1 . 2]" 1 886 1 47 ALA MB 1 48 THR H . . 3.790 3.667 3.646 3.708 . 0 0 "[ . 1 . 2]" 1 887 1 48 THR H 1 48 THR MG . . 3.510 2.763 2.615 2.878 . 0 0 "[ . 1 . 2]" 1 888 1 48 THR H 1 49 LYS H . . 4.650 4.474 4.435 4.508 . 0 0 "[ . 1 . 2]" 1 889 1 48 THR H 1 50 ILE MD . . 4.730 4.647 4.497 4.732 0.002 4 0 "[ . 1 . 2]" 1 890 1 48 THR H 1 50 ILE HG13 . . 5.050 4.700 4.571 4.829 . 0 0 "[ . 1 . 2]" 1 891 1 48 THR HA 1 48 THR MG . . 3.460 2.313 2.260 2.393 . 0 0 "[ . 1 . 2]" 1 892 1 48 THR HA 1 49 LYS H . . 2.990 2.533 2.452 2.601 . 0 0 "[ . 1 . 2]" 1 893 1 48 THR HA 1 66 GLY HA2 . . 4.810 3.972 3.799 4.122 . 0 0 "[ . 1 . 2]" 1 894 1 48 THR HA 1 66 GLY HA3 . . 4.810 2.978 2.752 3.141 . 0 0 "[ . 1 . 2]" 1 895 1 48 THR HA 1 67 THR H . . 4.650 4.482 4.187 4.649 . 0 0 "[ . 1 . 2]" 1 896 1 48 THR HB 1 49 LYS H . . 2.880 2.118 1.982 2.279 . 0 0 "[ . 1 . 2]" 1 897 1 48 THR HB 1 49 LYS QB . . 4.850 4.257 4.183 4.319 . 0 0 "[ . 1 . 2]" 1 898 1 48 THR HB 1 50 ILE HG12 . . 5.500 4.740 4.567 5.052 . 0 0 "[ . 1 . 2]" 1 899 1 48 THR HB 1 50 ILE HG13 . . 4.380 4.019 3.882 4.347 . 0 0 "[ . 1 . 2]" 1 900 1 48 THR HB 1 64 ILE MG . . 3.510 3.495 3.387 3.515 0.005 10 0 "[ . 1 . 2]" 1 901 1 48 THR HB 1 65 THR H . . 3.880 3.011 2.793 3.175 . 0 0 "[ . 1 . 2]" 1 902 1 48 THR HB 1 66 GLY QA . . 4.760 3.584 3.436 3.688 . 0 0 "[ . 1 . 2]" 1 903 1 48 THR HB 1 71 ILE HA . . 4.690 3.789 3.647 3.952 . 0 0 "[ . 1 . 2]" 1 904 1 48 THR HB 1 71 ILE MD . . 4.820 4.788 4.682 4.823 0.003 15 0 "[ . 1 . 2]" 1 905 1 48 THR HB 1 71 ILE HG12 . . 4.830 3.527 3.391 3.589 . 0 0 "[ . 1 . 2]" 1 906 1 48 THR HB 1 71 ILE HG13 . . 4.950 4.307 4.134 4.514 . 0 0 "[ . 1 . 2]" 1 907 1 48 THR HB 1 74 ALA MB . . 4.150 4.094 4.022 4.149 . 0 0 "[ . 1 . 2]" 1 908 1 48 THR MG 1 49 LYS H . . 3.760 3.571 3.501 3.625 . 0 0 "[ . 1 . 2]" 1 909 1 48 THR MG 1 66 GLY H . . 4.480 4.357 4.202 4.479 . 0 0 "[ . 1 . 2]" 1 910 1 48 THR MG 1 66 GLY HA2 . . 3.920 3.897 3.815 3.924 0.004 2 0 "[ . 1 . 2]" 1 911 1 48 THR MG 1 66 GLY QA . . 3.310 2.302 2.210 2.359 . 0 0 "[ . 1 . 2]" 1 912 1 48 THR MG 1 66 GLY HA3 . . 3.920 2.318 2.224 2.378 . 0 0 "[ . 1 . 2]" 1 913 1 48 THR MG 1 67 THR H . . 3.710 3.151 2.990 3.286 . 0 0 "[ . 1 . 2]" 1 914 1 48 THR MG 1 70 GLY H . . 4.370 4.101 3.897 4.370 . 0 0 "[ . 1 . 2]" 1 915 1 48 THR MG 1 70 GLY HA2 . . 4.250 3.167 2.853 3.486 . 0 0 "[ . 1 . 2]" 1 916 1 48 THR MG 1 70 GLY HA3 . . 3.910 2.412 2.171 2.711 . 0 0 "[ . 1 . 2]" 1 917 1 48 THR MG 1 71 ILE H . . 3.670 2.718 2.553 2.902 . 0 0 "[ . 1 . 2]" 1 918 1 48 THR MG 1 71 ILE HA . . 3.300 2.008 1.978 2.080 . 0 0 "[ . 1 . 2]" 1 919 1 48 THR MG 1 71 ILE HG13 . . 3.370 2.788 2.620 2.938 . 0 0 "[ . 1 . 2]" 1 920 1 48 THR MG 1 72 GLU H . . 4.660 4.461 4.327 4.619 . 0 0 "[ . 1 . 2]" 1 921 1 48 THR MG 1 74 ALA H . . 3.850 3.810 3.735 3.853 0.003 19 0 "[ . 1 . 2]" 1 922 1 48 THR MG 1 74 ALA MB . . 3.120 2.939 2.814 3.075 . 0 0 "[ . 1 . 2]" 1 923 1 49 LYS H 1 49 LYS HB2 . . 3.700 2.645 2.292 3.059 . 0 0 "[ . 1 . 2]" 1 924 1 49 LYS H 1 49 LYS QB . . 3.070 2.385 2.264 2.487 . 0 0 "[ . 1 . 2]" 1 925 1 49 LYS H 1 49 LYS HB3 . . 3.700 3.017 2.525 3.564 . 0 0 "[ . 1 . 2]" 1 926 1 49 LYS H 1 49 LYS QG . . 4.180 3.880 3.342 4.181 0.001 10 0 "[ . 1 . 2]" 1 927 1 49 LYS H 1 50 ILE H . . 4.580 3.859 3.663 4.066 . 0 0 "[ . 1 . 2]" 1 928 1 49 LYS H 1 50 ILE HG12 . . 5.500 5.448 5.357 5.502 0.002 13 0 "[ . 1 . 2]" 1 929 1 49 LYS H 1 64 ILE HA . . 4.320 4.071 3.887 4.254 . 0 0 "[ . 1 . 2]" 1 930 1 49 LYS H 1 65 THR H . . 3.540 2.560 2.347 2.750 . 0 0 "[ . 1 . 2]" 1 931 1 49 LYS H 1 65 THR HB . . 4.030 3.389 3.201 3.619 . 0 0 "[ . 1 . 2]" 1 932 1 49 LYS H 1 65 THR MG . . 4.740 4.440 4.237 4.638 . 0 0 "[ . 1 . 2]" 1 933 1 49 LYS H 1 66 GLY HA2 . . 4.750 4.725 4.646 4.756 0.006 2 0 "[ . 1 . 2]" 1 934 1 49 LYS H 1 66 GLY QA . . 4.140 3.852 3.806 3.913 . 0 0 "[ . 1 . 2]" 1 935 1 49 LYS H 1 66 GLY HA3 . . 4.750 4.082 4.015 4.163 . 0 0 "[ . 1 . 2]" 1 936 1 49 LYS H 1 71 ILE MD . . 5.500 5.400 5.261 5.486 . 0 0 "[ . 1 . 2]" 1 937 1 49 LYS HA 1 49 LYS QD . . 3.920 2.301 2.042 2.647 . 0 0 "[ . 1 . 2]" 1 938 1 49 LYS HA 1 49 LYS HE2 . . 4.800 4.280 3.586 4.782 . 0 0 "[ . 1 . 2]" 1 939 1 49 LYS HA 1 49 LYS QE . . 4.140 3.801 3.469 4.115 . 0 0 "[ . 1 . 2]" 1 940 1 49 LYS HA 1 49 LYS HE3 . . 4.800 4.419 3.750 4.800 . 0 0 "[ . 1 . 2]" 1 941 1 49 LYS HA 1 50 ILE H . . 3.080 2.283 2.192 2.367 . 0 0 "[ . 1 . 2]" 1 942 1 49 LYS HA 1 50 ILE HB . . 4.900 4.726 4.675 4.759 . 0 0 "[ . 1 . 2]" 1 943 1 49 LYS QB 1 49 LYS QE . . 2.820 2.153 1.973 2.755 . 0 0 "[ . 1 . 2]" 1 944 1 49 LYS QB 1 65 THR H . . 3.680 3.171 2.994 3.417 . 0 0 "[ . 1 . 2]" 1 945 1 49 LYS HB2 1 50 ILE H . . 4.870 4.606 4.553 4.662 . 0 0 "[ . 1 . 2]" 1 946 1 49 LYS HB2 1 65 THR HB . . 3.830 3.071 2.137 3.769 . 0 0 "[ . 1 . 2]" 1 947 1 49 LYS HB3 1 50 ILE H . . 4.870 4.278 3.912 4.500 . 0 0 "[ . 1 . 2]" 1 948 1 49 LYS HB3 1 65 THR HB . . 3.830 2.874 2.144 3.736 . 0 0 "[ . 1 . 2]" 1 949 1 49 LYS QD 1 50 ILE H . . 4.480 3.982 3.344 4.471 . 0 0 "[ . 1 . 2]" 1 950 1 49 LYS QG 1 50 ILE H . . 4.450 4.072 3.582 4.471 0.021 15 0 "[ . 1 . 2]" 1 951 1 49 LYS QG 1 65 THR HB . . 4.760 3.933 3.579 4.628 . 0 0 "[ . 1 . 2]" 1 952 1 50 ILE H 1 50 ILE HB . . 3.160 2.517 2.484 2.567 . 0 0 "[ . 1 . 2]" 1 953 1 50 ILE H 1 50 ILE MD . . 3.960 3.494 3.356 3.612 . 0 0 "[ . 1 . 2]" 1 954 1 50 ILE H 1 50 ILE HG12 . . 4.020 3.604 3.445 3.739 . 0 0 "[ . 1 . 2]" 1 955 1 50 ILE H 1 50 ILE HG13 . . 3.390 2.227 2.068 2.405 . 0 0 "[ . 1 . 2]" 1 956 1 50 ILE H 1 50 ILE MG . . 4.110 3.773 3.763 3.792 . 0 0 "[ . 1 . 2]" 1 957 1 50 ILE H 1 51 GLN H . . 4.880 4.518 4.400 4.600 . 0 0 "[ . 1 . 2]" 1 958 1 50 ILE HA 1 50 ILE MD . . 4.460 3.874 3.850 3.898 . 0 0 "[ . 1 . 2]" 1 959 1 50 ILE HA 1 50 ILE MG . . 3.650 2.374 2.268 2.442 . 0 0 "[ . 1 . 2]" 1 960 1 50 ILE HA 1 51 GLN H . . 2.860 2.157 2.141 2.206 . 0 0 "[ . 1 . 2]" 1 961 1 50 ILE HA 1 62 ILE MG . . 4.820 3.490 3.322 3.651 . 0 0 "[ . 1 . 2]" 1 962 1 50 ILE HA 1 65 THR H . . 4.400 4.068 3.863 4.295 . 0 0 "[ . 1 . 2]" 1 963 1 50 ILE HB 1 50 ILE MD . . 3.180 2.248 2.159 2.300 . 0 0 "[ . 1 . 2]" 1 964 1 50 ILE HB 1 51 GLN H . . 4.400 4.168 3.956 4.324 . 0 0 "[ . 1 . 2]" 1 965 1 50 ILE HB 1 62 ILE MG . . 5.000 4.564 4.350 4.686 . 0 0 "[ . 1 . 2]" 1 966 1 50 ILE MD 1 74 ALA MB . . 3.230 2.782 2.540 3.030 . 0 0 "[ . 1 . 2]" 1 967 1 50 ILE HG12 1 51 GLN H . . 4.870 4.443 4.251 4.577 . 0 0 "[ . 1 . 2]" 1 968 1 50 ILE HG12 1 64 ILE MG . . 3.120 2.104 1.963 2.356 . 0 0 "[ . 1 . 2]" 1 969 1 50 ILE HG12 1 74 ALA MB . . 3.560 3.294 3.168 3.490 . 0 0 "[ . 1 . 2]" 1 970 1 50 ILE HG13 1 62 ILE MG . . 5.500 4.889 4.709 5.027 . 0 0 "[ . 1 . 2]" 1 971 1 50 ILE HG13 1 64 ILE MG . . 3.570 3.005 2.807 3.169 . 0 0 "[ . 1 . 2]" 1 972 1 50 ILE MG 1 51 GLN H . . 3.440 2.473 1.989 2.808 . 0 0 "[ . 1 . 2]" 1 973 1 50 ILE MG 1 52 ILE H . . 4.590 3.735 3.483 4.005 . 0 0 "[ . 1 . 2]" 1 974 1 50 ILE MG 1 52 ILE HG12 . . 3.420 3.369 3.264 3.431 0.011 9 0 "[ . 1 . 2]" 1 975 1 50 ILE MG 1 52 ILE HG13 . . 3.660 2.465 2.370 2.607 . 0 0 "[ . 1 . 2]" 1 976 1 50 ILE MG 1 62 ILE MD . . 3.740 3.086 2.861 3.234 . 0 0 "[ . 1 . 2]" 1 977 1 51 GLN H 1 51 GLN HB2 . . 3.610 2.746 2.450 2.918 . 0 0 "[ . 1 . 2]" 1 978 1 51 GLN H 1 51 GLN QB . . 3.130 2.532 2.410 2.645 . 0 0 "[ . 1 . 2]" 1 979 1 51 GLN H 1 51 GLN HB3 . . 3.610 3.046 2.894 3.592 . 0 0 "[ . 1 . 2]" 1 980 1 51 GLN H 1 51 GLN QG . . 4.290 4.072 3.439 4.285 . 0 0 "[ . 1 . 2]" 1 981 1 51 GLN H 1 52 ILE H . . 4.520 4.150 4.031 4.309 . 0 0 "[ . 1 . 2]" 1 982 1 51 GLN H 1 52 ILE HG13 . . 4.990 4.295 4.100 4.589 . 0 0 "[ . 1 . 2]" 1 983 1 51 GLN H 1 62 ILE HA . . 4.930 4.715 4.521 4.930 0.000 8 0 "[ . 1 . 2]" 1 984 1 51 GLN H 1 62 ILE MG . . 3.650 2.918 2.629 3.229 . 0 0 "[ . 1 . 2]" 1 985 1 51 GLN H 1 63 LYS H . . 3.890 2.834 2.663 2.962 . 0 0 "[ . 1 . 2]" 1 986 1 51 GLN H 1 63 LYS HB2 . . 5.220 4.580 4.409 4.797 . 0 0 "[ . 1 . 2]" 1 987 1 51 GLN H 1 63 LYS HB3 . . 4.260 3.062 2.820 3.367 . 0 0 "[ . 1 . 2]" 1 988 1 51 GLN H 1 63 LYS QG . . 5.020 4.276 3.453 4.938 . 0 0 "[ . 1 . 2]" 1 989 1 51 GLN H 1 64 ILE HA . . 4.200 4.057 3.885 4.177 . 0 0 "[ . 1 . 2]" 1 990 1 51 GLN H 1 64 ILE MG . . 4.470 4.223 4.040 4.381 . 0 0 "[ . 1 . 2]" 1 991 1 51 GLN H 1 65 THR H . . 5.490 5.303 5.055 5.473 . 0 0 "[ . 1 . 2]" 1 992 1 51 GLN HA 1 51 GLN QG . . 3.760 2.388 2.157 2.835 . 0 0 "[ . 1 . 2]" 1 993 1 51 GLN HA 1 52 ILE H . . 2.650 2.147 2.139 2.168 . 0 0 "[ . 1 . 2]" 1 994 1 51 GLN HA 1 52 ILE HB . . 4.750 4.640 4.523 4.703 . 0 0 "[ . 1 . 2]" 1 995 1 51 GLN HA 1 52 ILE HG13 . . 4.670 3.883 3.679 4.315 . 0 0 "[ . 1 . 2]" 1 996 1 51 GLN HA 1 63 LYS HB3 . . 5.490 4.801 4.557 5.112 . 0 0 "[ . 1 . 2]" 1 997 1 51 GLN QB 1 52 ILE H . . 3.990 3.789 3.527 3.873 . 0 0 "[ . 1 . 2]" 1 998 1 51 GLN QB 1 63 LYS H . . 3.770 3.421 3.095 3.761 . 0 0 "[ . 1 . 2]" 1 999 1 51 GLN QB 1 63 LYS HB2 . . 3.910 3.492 3.229 3.745 . 0 0 "[ . 1 . 2]" 1 1000 1 51 GLN HB2 1 52 ILE H . . 4.620 4.525 4.458 4.566 . 0 0 "[ . 1 . 2]" 1 1001 1 51 GLN HB2 1 63 LYS H . . 4.580 4.433 3.681 4.585 0.005 2 0 "[ . 1 . 2]" 1 1002 1 51 GLN HB2 1 63 LYS HB2 . . 4.740 4.579 3.837 4.745 0.005 15 0 "[ . 1 . 2]" 1 1003 1 51 GLN HB2 1 63 LYS HB3 . . 4.140 2.981 2.232 3.225 . 0 0 "[ . 1 . 2]" 1 1004 1 51 GLN HB3 1 52 ILE H . . 4.620 4.072 3.680 4.190 . 0 0 "[ . 1 . 2]" 1 1005 1 51 GLN HB3 1 63 LYS H . . 4.580 3.642 3.167 4.580 . 0 0 "[ . 1 . 2]" 1 1006 1 51 GLN HB3 1 63 LYS HB2 . . 4.740 3.719 3.306 4.740 . 0 0 "[ . 1 . 2]" 1 1007 1 51 GLN HB3 1 63 LYS HB3 . . 4.140 2.481 2.063 3.456 . 0 0 "[ . 1 . 2]" 1 1008 1 51 GLN QG 1 52 ILE H . . 4.000 3.344 3.039 3.966 . 0 0 "[ . 1 . 2]" 1 1009 1 52 ILE H 1 52 ILE HB . . 3.060 2.534 2.374 2.628 . 0 0 "[ . 1 . 2]" 1 1010 1 52 ILE H 1 52 ILE MD . . 4.220 3.631 3.465 3.948 . 0 0 "[ . 1 . 2]" 1 1011 1 52 ILE H 1 52 ILE HG12 . . 3.990 3.907 3.793 3.988 . 0 0 "[ . 1 . 2]" 1 1012 1 52 ILE H 1 52 ILE HG13 . . 3.680 2.580 2.396 2.775 . 0 0 "[ . 1 . 2]" 1 1013 1 52 ILE H 1 52 ILE MG . . 3.920 3.800 3.713 3.848 . 0 0 "[ . 1 . 2]" 1 1014 1 52 ILE H 1 53 PRO HD2 . . 5.440 4.832 4.792 4.842 . 0 0 "[ . 1 . 2]" 1 1015 1 52 ILE H 1 53 PRO HD3 . . 4.990 4.818 4.626 4.912 . 0 0 "[ . 1 . 2]" 1 1016 1 52 ILE HA 1 52 ILE MD . . 4.280 3.872 3.761 3.901 . 0 0 "[ . 1 . 2]" 1 1017 1 52 ILE HA 1 52 ILE HG12 . . 4.100 2.663 2.391 2.746 . 0 0 "[ . 1 . 2]" 1 1018 1 52 ILE HA 1 52 ILE MG . . 3.580 2.436 2.321 2.527 . 0 0 "[ . 1 . 2]" 1 1019 1 52 ILE HA 1 53 PRO HD2 . . 3.690 2.116 2.012 2.178 . 0 0 "[ . 1 . 2]" 1 1020 1 52 ILE HA 1 53 PRO HD3 . . 3.570 2.262 2.252 2.295 . 0 0 "[ . 1 . 2]" 1 1021 1 52 ILE HA 1 53 PRO HG2 . . 5.000 4.285 4.202 4.335 . 0 0 "[ . 1 . 2]" 1 1022 1 52 ILE HA 1 53 PRO QG . . 4.330 3.841 3.792 3.873 . 0 0 "[ . 1 . 2]" 1 1023 1 52 ILE HA 1 53 PRO HG3 . . 5.000 4.339 4.316 4.360 . 0 0 "[ . 1 . 2]" 1 1024 1 52 ILE HA 1 62 ILE HA . . 4.300 3.150 2.938 3.379 . 0 0 "[ . 1 . 2]" 1 1025 1 52 ILE HA 1 62 ILE MD . . 4.740 4.279 4.009 4.467 . 0 0 "[ . 1 . 2]" 1 1026 1 52 ILE HA 1 62 ILE HG12 . . 4.340 2.835 2.600 3.069 . 0 0 "[ . 1 . 2]" 1 1027 1 52 ILE HA 1 62 ILE HG13 . . 4.850 4.011 3.700 4.352 . 0 0 "[ . 1 . 2]" 1 1028 1 52 ILE HA 1 62 ILE MG . . 4.380 3.733 3.536 3.958 . 0 0 "[ . 1 . 2]" 1 1029 1 52 ILE HA 1 63 LYS H . . 4.340 3.974 3.769 4.294 . 0 0 "[ . 1 . 2]" 1 1030 1 52 ILE HB 1 52 ILE MD . . 3.340 2.302 2.203 2.387 . 0 0 "[ . 1 . 2]" 1 1031 1 52 ILE MD 1 52 ILE MG . . 3.180 2.211 1.947 2.374 . 0 0 "[ . 1 . 2]" 1 1032 1 52 ILE MD 1 62 ILE MD . . 3.670 2.934 2.704 3.116 . 0 0 "[ . 1 . 2]" 1 1033 1 52 ILE HG12 1 62 ILE MD . . 3.660 2.515 2.200 2.695 . 0 0 "[ . 1 . 2]" 1 1034 1 52 ILE HG12 1 62 ILE HG12 . . 3.770 2.002 1.994 2.036 . 0 0 "[ . 1 . 2]" 1 1035 1 52 ILE HG12 1 62 ILE MG . . 3.540 3.387 3.283 3.470 . 0 0 "[ . 1 . 2]" 1 1036 1 52 ILE HG13 1 53 PRO HD3 . . 5.340 5.082 5.003 5.166 . 0 0 "[ . 1 . 2]" 1 1037 1 52 ILE HG13 1 62 ILE MD . . 3.700 3.544 3.322 3.707 0.007 9 0 "[ . 1 . 2]" 1 1038 1 52 ILE HG13 1 62 ILE HG12 . . 3.210 3.179 3.114 3.214 0.004 10 0 "[ . 1 . 2]" 1 1039 1 52 ILE HG13 1 62 ILE MG . . 3.780 3.489 3.398 3.594 . 0 0 "[ . 1 . 2]" 1 1040 1 52 ILE MG 1 53 PRO HD2 . . 3.760 1.908 1.805 2.133 . 0 0 "[ . 1 . 2]" 1 1041 1 52 ILE MG 1 53 PRO HD3 . . 3.790 3.259 3.142 3.527 . 0 0 "[ . 1 . 2]" 1 1042 1 52 ILE MG 1 62 ILE MD . . 4.130 3.471 3.184 3.912 . 0 0 "[ . 1 . 2]" 1 1043 1 53 PRO HA 1 54 ARG H . . 2.860 2.246 2.189 2.323 . 0 0 "[ . 1 . 2]" 1 1044 1 53 PRO QB 1 54 ARG H . . 3.140 2.931 2.720 3.112 . 0 0 "[ . 1 . 2]" 1 1045 1 53 PRO QB 1 57 ASP HB2 . . 4.320 3.706 3.070 4.120 . 0 0 "[ . 1 . 2]" 1 1046 1 53 PRO QB 1 57 ASP HB3 . . 3.500 2.527 2.112 2.867 . 0 0 "[ . 1 . 2]" 1 1047 1 53 PRO QB 1 59 SER HB2 . . 4.960 2.478 1.876 3.207 . 0 0 "[ . 1 . 2]" 1 1048 1 53 PRO QB 1 59 SER HB3 . . 4.300 2.650 1.942 3.060 . 0 0 "[ . 1 . 2]" 1 1049 1 53 PRO HB2 1 54 ARG H . . 3.890 3.072 2.822 3.289 . 0 0 "[ . 1 . 2]" 1 1050 1 53 PRO HB2 1 57 ASP HB3 . . 4.030 2.572 2.133 2.941 . 0 0 "[ . 1 . 2]" 1 1051 1 53 PRO HB2 1 59 SER H . . 4.760 3.736 3.567 3.864 . 0 0 "[ . 1 . 2]" 1 1052 1 53 PRO HB2 1 59 SER HB3 . . 5.040 3.474 2.105 3.947 . 0 0 "[ . 1 . 2]" 1 1053 1 53 PRO HB3 1 54 ARG H . . 3.890 3.710 3.564 3.842 . 0 0 "[ . 1 . 2]" 1 1054 1 53 PRO HB3 1 57 ASP HB3 . . 4.030 3.736 3.417 3.986 . 0 0 "[ . 1 . 2]" 1 1055 1 53 PRO HB3 1 59 SER H . . 4.760 4.471 4.298 4.614 . 0 0 "[ . 1 . 2]" 1 1056 1 53 PRO HB3 1 59 SER HB3 . . 5.040 2.764 2.280 3.190 . 0 0 "[ . 1 . 2]" 1 1057 1 53 PRO HD2 1 62 ILE HA . . 4.340 3.592 3.430 3.742 . 0 0 "[ . 1 . 2]" 1 1058 1 53 PRO HD2 1 62 ILE MD . . 4.950 4.505 4.211 4.826 . 0 0 "[ . 1 . 2]" 1 1059 1 53 PRO HD2 1 62 ILE HG12 . . 4.690 3.408 3.225 3.650 . 0 0 "[ . 1 . 2]" 1 1060 1 53 PRO HD2 1 62 ILE HG13 . . 4.960 3.661 3.339 4.126 . 0 0 "[ . 1 . 2]" 1 1061 1 53 PRO HD2 1 63 LYS H . . 5.500 5.275 5.162 5.451 . 0 0 "[ . 1 . 2]" 1 1062 1 53 PRO HD3 1 62 ILE HG12 . . 4.610 3.943 3.696 4.273 . 0 0 "[ . 1 . 2]" 1 1063 1 53 PRO HD3 1 62 ILE HG13 . . 5.000 4.268 3.805 4.870 . 0 0 "[ . 1 . 2]" 1 1064 1 53 PRO HD3 1 63 LYS H . . 4.420 4.319 4.186 4.423 0.003 15 0 "[ . 1 . 2]" 1 1065 1 53 PRO QG 1 59 SER HB2 . . 3.940 3.485 2.779 3.785 . 0 0 "[ . 1 . 2]" 1 1066 1 53 PRO QG 1 60 ASN H . . 4.990 3.925 3.695 4.221 . 0 0 "[ . 1 . 2]" 1 1067 1 53 PRO QG 1 61 GLN H . . 3.950 2.877 2.450 3.266 . 0 0 "[ . 1 . 2]" 1 1068 1 53 PRO HG2 1 59 SER HB2 . . 4.770 4.475 3.680 4.782 0.012 15 0 "[ . 1 . 2]" 1 1069 1 53 PRO HG2 1 59 SER HB3 . . 4.590 4.252 3.042 4.593 0.003 2 0 "[ . 1 . 2]" 1 1070 1 53 PRO HG3 1 59 SER HB2 . . 4.770 3.636 2.875 3.971 . 0 0 "[ . 1 . 2]" 1 1071 1 53 PRO HG3 1 59 SER HB3 . . 4.590 2.900 2.066 3.228 . 0 0 "[ . 1 . 2]" 1 1072 1 54 ARG H 1 54 ARG HB2 . . 3.160 2.301 2.184 2.536 . 0 0 "[ . 1 . 2]" 1 1073 1 54 ARG H 1 54 ARG HB3 . . 3.740 3.547 3.491 3.617 . 0 0 "[ . 1 . 2]" 1 1074 1 54 ARG H 1 54 ARG QD . . 4.370 3.216 1.869 4.344 . 0 0 "[ . 1 . 2]" 1 1075 1 54 ARG H 1 54 ARG HG2 . . 3.970 3.901 3.716 3.983 0.013 18 0 "[ . 1 . 2]" 1 1076 1 54 ARG H 1 54 ARG QG . . 3.300 2.833 2.474 3.259 . 0 0 "[ . 1 . 2]" 1 1077 1 54 ARG H 1 54 ARG HG3 . . 3.970 2.923 2.511 3.461 . 0 0 "[ . 1 . 2]" 1 1078 1 54 ARG H 1 55 PRO HD2 . . 4.980 4.732 4.704 4.759 . 0 0 "[ . 1 . 2]" 1 1079 1 54 ARG H 1 55 PRO HD3 . . 5.140 5.039 4.955 5.071 . 0 0 "[ . 1 . 2]" 1 1080 1 54 ARG H 1 56 ASP H . . 5.250 4.933 4.686 5.192 . 0 0 "[ . 1 . 2]" 1 1081 1 54 ARG H 1 57 ASP H . . 4.490 4.216 3.973 4.485 . 0 0 "[ . 1 . 2]" 1 1082 1 54 ARG H 1 57 ASP HB2 . . 3.830 3.116 2.624 3.580 . 0 0 "[ . 1 . 2]" 1 1083 1 54 ARG H 1 57 ASP HB3 . . 3.860 3.419 3.099 3.847 . 0 0 "[ . 1 . 2]" 1 1084 1 54 ARG HA 1 54 ARG QD . . 4.570 3.718 3.039 4.079 . 0 0 "[ . 1 . 2]" 1 1085 1 54 ARG HA 1 54 ARG HG2 . . 4.160 2.851 2.259 3.566 . 0 0 "[ . 1 . 2]" 1 1086 1 54 ARG HA 1 54 ARG HG3 . . 4.160 2.593 2.283 2.967 . 0 0 "[ . 1 . 2]" 1 1087 1 54 ARG HA 1 55 PRO HD2 . . 3.470 2.466 2.431 2.523 . 0 0 "[ . 1 . 2]" 1 1088 1 54 ARG HA 1 55 PRO HD3 . . 3.250 2.327 2.310 2.354 . 0 0 "[ . 1 . 2]" 1 1089 1 54 ARG HA 1 55 PRO QG . . 4.130 4.044 4.021 4.082 . 0 0 "[ . 1 . 2]" 1 1090 1 54 ARG HA 1 56 ASP H . . 4.110 3.968 3.875 4.121 0.011 17 0 "[ . 1 . 2]" 1 1091 1 54 ARG HB2 1 54 ARG QD . . 3.920 2.301 2.074 2.766 . 0 0 "[ . 1 . 2]" 1 1092 1 54 ARG HB2 1 55 PRO HD2 . . 3.720 3.618 3.577 3.646 . 0 0 "[ . 1 . 2]" 1 1093 1 54 ARG HB2 1 55 PRO HD3 . . 4.700 4.698 4.668 4.714 0.014 5 0 "[ . 1 . 2]" 1 1094 1 54 ARG HB2 1 56 ASP H . . 3.780 3.345 3.080 3.640 . 0 0 "[ . 1 . 2]" 1 1095 1 54 ARG HB2 1 57 ASP H . . 3.850 2.912 2.668 3.434 . 0 0 "[ . 1 . 2]" 1 1096 1 54 ARG HB2 1 57 ASP HB2 . . 4.250 2.273 1.996 2.509 . 0 0 "[ . 1 . 2]" 1 1097 1 54 ARG HB2 1 57 ASP HB3 . . 4.200 3.566 3.399 3.826 . 0 0 "[ . 1 . 2]" 1 1098 1 54 ARG HB3 1 54 ARG QD . . 3.900 2.795 2.287 3.262 . 0 0 "[ . 1 . 2]" 1 1099 1 54 ARG HB3 1 55 PRO HD2 . . 3.250 2.024 1.996 2.093 . 0 0 "[ . 1 . 2]" 1 1100 1 54 ARG HB3 1 55 PRO HD3 . . 3.720 3.468 3.445 3.523 . 0 0 "[ . 1 . 2]" 1 1101 1 54 ARG HB3 1 56 ASP H . . 3.370 2.305 2.219 2.396 . 0 0 "[ . 1 . 2]" 1 1102 1 54 ARG HB3 1 57 ASP H . . 4.110 3.084 2.798 3.487 . 0 0 "[ . 1 . 2]" 1 1103 1 54 ARG HB3 1 57 ASP HB2 . . 4.220 3.629 3.274 3.884 . 0 0 "[ . 1 . 2]" 1 1104 1 54 ARG QD 1 56 ASP H . . 4.990 4.534 3.853 4.995 0.005 16 0 "[ . 1 . 2]" 1 1105 1 54 ARG QG 1 55 PRO HD2 . . 3.730 2.676 2.376 3.007 . 0 0 "[ . 1 . 2]" 1 1106 1 54 ARG QG 1 55 PRO HD3 . . 4.030 3.489 3.203 3.756 . 0 0 "[ . 1 . 2]" 1 1107 1 54 ARG QG 1 57 ASP H . . 5.340 4.728 4.578 5.132 . 0 0 "[ . 1 . 2]" 1 1108 1 54 ARG HG2 1 55 PRO HD2 . . 4.360 2.907 2.400 3.541 . 0 0 "[ . 1 . 2]" 1 1109 1 54 ARG HG2 1 55 PRO HD3 . . 4.830 3.957 3.274 4.843 0.013 18 0 "[ . 1 . 2]" 1 1110 1 54 ARG HG3 1 55 PRO HD2 . . 4.360 3.639 2.991 4.103 . 0 0 "[ . 1 . 2]" 1 1111 1 54 ARG HG3 1 55 PRO HD3 . . 4.830 4.347 3.708 4.821 . 0 0 "[ . 1 . 2]" 1 1112 1 55 PRO HA 1 56 ASP HA . . 4.690 4.598 4.509 4.658 . 0 0 "[ . 1 . 2]" 1 1113 1 55 PRO HA 1 57 ASP H . . 4.500 4.210 3.961 4.423 . 0 0 "[ . 1 . 2]" 1 1114 1 55 PRO HB2 1 56 ASP H . . 3.950 3.721 3.523 3.896 . 0 0 "[ . 1 . 2]" 1 1115 1 55 PRO HB2 1 57 ASP H . . 5.500 5.438 5.316 5.502 0.002 16 0 "[ . 1 . 2]" 1 1116 1 55 PRO HB3 1 56 ASP H . . 4.540 4.365 4.250 4.465 . 0 0 "[ . 1 . 2]" 1 1117 1 55 PRO HD2 1 56 ASP H . . 4.110 2.792 2.678 2.941 . 0 0 "[ . 1 . 2]" 1 1118 1 55 PRO HD3 1 56 ASP H . . 4.420 3.919 3.858 3.996 . 0 0 "[ . 1 . 2]" 1 1119 1 55 PRO QG 1 56 ASP H . . 4.760 2.879 2.590 3.152 . 0 0 "[ . 1 . 2]" 1 1120 1 56 ASP H 1 56 ASP HB2 . . 3.860 2.820 2.277 3.763 . 0 0 "[ . 1 . 2]" 1 1121 1 56 ASP H 1 56 ASP QB . . 3.320 2.447 2.228 3.077 . 0 0 "[ . 1 . 2]" 1 1122 1 56 ASP H 1 56 ASP HB3 . . 3.860 3.173 2.279 3.729 . 0 0 "[ . 1 . 2]" 1 1123 1 56 ASP H 1 57 ASP H . . 3.250 2.116 1.916 2.253 . 0 0 "[ . 1 . 2]" 1 1124 1 56 ASP H 1 57 ASP HA . . 5.010 4.741 4.440 4.914 . 0 0 "[ . 1 . 2]" 1 1125 1 56 ASP H 1 57 ASP HB3 . . 5.060 4.763 4.602 4.957 . 0 0 "[ . 1 . 2]" 1 1126 1 56 ASP QB 1 57 ASP H . . 4.470 3.152 2.905 3.983 . 0 0 "[ . 1 . 2]" 1 1127 1 57 ASP H 1 57 ASP HB2 . . 3.150 2.314 2.214 2.437 . 0 0 "[ . 1 . 2]" 1 1128 1 57 ASP H 1 57 ASP HB3 . . 3.040 2.846 2.722 2.904 . 0 0 "[ . 1 . 2]" 1 1129 1 57 ASP H 1 58 PRO HD2 . . 4.980 4.819 4.797 4.840 . 0 0 "[ . 1 . 2]" 1 1130 1 57 ASP H 1 58 PRO QD . . 4.370 4.344 4.328 4.356 . 0 0 "[ . 1 . 2]" 1 1131 1 57 ASP H 1 58 PRO HD3 . . 4.980 4.937 4.921 4.951 . 0 0 "[ . 1 . 2]" 1 1132 1 57 ASP H 1 59 SER H . . 4.910 4.739 4.629 4.894 . 0 0 "[ . 1 . 2]" 1 1133 1 57 ASP HA 1 58 PRO HD2 . . 3.940 2.213 2.191 2.220 . 0 0 "[ . 1 . 2]" 1 1134 1 57 ASP HA 1 58 PRO HD3 . . 3.940 2.253 2.251 2.254 . 0 0 "[ . 1 . 2]" 1 1135 1 57 ASP HA 1 59 SER H . . 4.580 3.721 3.706 3.734 . 0 0 "[ . 1 . 2]" 1 1136 1 57 ASP HB2 1 59 SER H . . 4.610 4.111 4.090 4.149 . 0 0 "[ . 1 . 2]" 1 1137 1 57 ASP HB3 1 59 SER H . . 4.420 2.592 2.532 2.758 . 0 0 "[ . 1 . 2]" 1 1138 1 58 PRO QB 1 59 SER H . . 4.110 3.712 3.643 3.734 . 0 0 "[ . 1 . 2]" 1 1139 1 58 PRO QD 1 59 SER H . . 3.480 2.935 2.841 2.969 . 0 0 "[ . 1 . 2]" 1 1140 1 58 PRO HD2 1 59 SER H . . 4.170 3.014 2.909 3.053 . 0 0 "[ . 1 . 2]" 1 1141 1 58 PRO HD3 1 59 SER H . . 4.170 4.036 3.981 4.056 . 0 0 "[ . 1 . 2]" 1 1142 1 58 PRO HG2 1 59 SER H . . 3.620 3.327 3.166 3.382 . 0 0 "[ . 1 . 2]" 1 1143 1 59 SER H 1 59 SER HB2 . . 2.930 2.346 2.258 2.575 . 0 0 "[ . 1 . 2]" 1 1144 1 59 SER H 1 59 SER HB3 . . 3.670 3.496 2.605 3.650 . 0 0 "[ . 1 . 2]" 1 1145 1 59 SER HA 1 60 ASN H . . 2.880 2.143 2.138 2.160 . 0 0 "[ . 1 . 2]" 1 1146 1 59 SER HA 1 60 ASN HB3 . . 5.500 4.606 4.461 4.746 . 0 0 "[ . 1 . 2]" 1 1147 1 59 SER HA 1 61 GLN H . . 3.820 3.539 3.338 3.687 . 0 0 "[ . 1 . 2]" 1 1148 1 59 SER HB2 1 60 ASN H . . 4.520 4.396 4.233 4.508 . 0 0 "[ . 1 . 2]" 1 1149 1 59 SER HB2 1 61 GLN H . . 4.830 4.555 4.303 4.847 0.017 16 0 "[ . 1 . 2]" 1 1150 1 59 SER HB3 1 60 ASN H . . 4.390 3.545 3.290 4.157 . 0 0 "[ . 1 . 2]" 1 1151 1 59 SER HB3 1 61 GLN H . . 4.290 3.144 2.907 4.162 . 0 0 "[ . 1 . 2]" 1 1152 1 59 SER HB3 1 61 GLN QG . . 4.950 3.500 2.783 4.698 . 0 0 "[ . 1 . 2]" 1 1153 1 60 ASN H 1 60 ASN HB2 . . 4.080 3.762 3.714 3.822 . 0 0 "[ . 1 . 2]" 1 1154 1 60 ASN H 1 60 ASN HB3 . . 3.840 3.082 2.931 3.249 . 0 0 "[ . 1 . 2]" 1 1155 1 60 ASN H 1 60 ASN HD21 . . 5.180 4.526 4.152 4.743 . 0 0 "[ . 1 . 2]" 1 1156 1 60 ASN H 1 60 ASN HD22 . . 5.380 4.387 4.050 4.613 . 0 0 "[ . 1 . 2]" 1 1157 1 60 ASN H 1 61 GLN QB . . 4.400 4.060 3.867 4.304 . 0 0 "[ . 1 . 2]" 1 1158 1 60 ASN H 1 61 GLN QG . . 4.140 3.198 2.588 3.619 . 0 0 "[ . 1 . 2]" 1 1159 1 60 ASN HB2 1 60 ASN HD22 . . 4.030 3.437 3.433 3.461 . 0 0 "[ . 1 . 2]" 1 1160 1 60 ASN HB2 1 61 GLN H . . 4.720 4.431 4.373 4.469 . 0 0 "[ . 1 . 2]" 1 1161 1 60 ASN HB3 1 61 GLN H . . 4.760 4.523 4.384 4.627 . 0 0 "[ . 1 . 2]" 1 1162 1 61 GLN H 1 61 GLN HB2 . . 3.880 3.442 2.599 3.729 . 0 0 "[ . 1 . 2]" 1 1163 1 61 GLN H 1 61 GLN QB . . 3.110 2.816 2.550 2.959 . 0 0 "[ . 1 . 2]" 1 1164 1 61 GLN H 1 61 GLN HB3 . . 3.880 3.186 2.805 3.754 . 0 0 "[ . 1 . 2]" 1 1165 1 61 GLN H 1 61 GLN HG2 . . 4.150 2.349 1.901 3.502 . 0 0 "[ . 1 . 2]" 1 1166 1 61 GLN H 1 61 GLN QG . . 3.300 2.082 1.887 2.622 . 0 0 "[ . 1 . 2]" 1 1167 1 61 GLN H 1 61 GLN HG3 . . 4.150 2.946 2.100 3.502 . 0 0 "[ . 1 . 2]" 1 1168 1 61 GLN H 1 62 ILE H . . 4.620 4.357 4.291 4.427 . 0 0 "[ . 1 . 2]" 1 1169 1 61 GLN HA 1 61 GLN QG . . 3.700 3.133 2.440 3.339 . 0 0 "[ . 1 . 2]" 1 1170 1 61 GLN HA 1 62 ILE H . . 2.830 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 1 1171 1 61 GLN HA 1 62 ILE HB . . 4.760 4.441 4.426 4.454 . 0 0 "[ . 1 . 2]" 1 1172 1 61 GLN HA 1 62 ILE HG13 . . 5.060 4.174 4.113 4.249 . 0 0 "[ . 1 . 2]" 1 1173 1 61 GLN QB 1 62 ILE H . . 3.990 3.299 3.221 3.362 . 0 0 "[ . 1 . 2]" 1 1174 1 61 GLN HB2 1 62 ILE H . . 4.810 3.626 3.402 4.195 . 0 0 "[ . 1 . 2]" 1 1175 1 61 GLN HB3 1 62 ILE H . . 4.810 4.047 3.354 4.302 . 0 0 "[ . 1 . 2]" 1 1176 1 61 GLN QG 1 62 ILE H . . 4.540 4.287 4.155 4.449 . 0 0 "[ . 1 . 2]" 1 1177 1 61 GLN HG2 1 62 ILE H . . 5.420 4.954 4.540 5.415 . 0 0 "[ . 1 . 2]" 1 1178 1 61 GLN HG3 1 62 ILE H . . 5.420 4.777 4.496 5.390 . 0 0 "[ . 1 . 2]" 1 1179 1 62 ILE H 1 62 ILE HB . . 3.010 2.325 2.311 2.333 . 0 0 "[ . 1 . 2]" 1 1180 1 62 ILE H 1 62 ILE MD . . 4.110 3.698 3.559 3.815 . 0 0 "[ . 1 . 2]" 1 1181 1 62 ILE H 1 62 ILE HG12 . . 4.190 3.885 3.807 3.974 . 0 0 "[ . 1 . 2]" 1 1182 1 62 ILE H 1 62 ILE HG13 . . 3.610 2.644 2.604 2.712 . 0 0 "[ . 1 . 2]" 1 1183 1 62 ILE H 1 62 ILE MG . . 3.920 3.696 3.686 3.702 . 0 0 "[ . 1 . 2]" 1 1184 1 62 ILE H 1 63 LYS H . . 4.650 4.615 4.605 4.620 . 0 0 "[ . 1 . 2]" 1 1185 1 62 ILE HA 1 62 ILE MD . . 4.370 3.789 3.762 3.805 . 0 0 "[ . 1 . 2]" 1 1186 1 62 ILE HA 1 62 ILE HG12 . . 3.710 2.485 2.399 2.597 . 0 0 "[ . 1 . 2]" 1 1187 1 62 ILE HA 1 62 ILE HG13 . . 3.910 2.737 2.622 2.814 . 0 0 "[ . 1 . 2]" 1 1188 1 62 ILE HA 1 62 ILE MG . . 3.600 2.520 2.502 2.532 . 0 0 "[ . 1 . 2]" 1 1189 1 62 ILE HA 1 63 LYS H . . 2.780 2.271 2.256 2.314 . 0 0 "[ . 1 . 2]" 1 1190 1 62 ILE HA 1 63 LYS HB2 . . 5.300 4.401 4.213 4.713 . 0 0 "[ . 1 . 2]" 1 1191 1 62 ILE HA 1 63 LYS HB3 . . 5.200 4.586 4.290 4.801 . 0 0 "[ . 1 . 2]" 1 1192 1 62 ILE HB 1 62 ILE MD . . 3.460 2.272 2.185 2.339 . 0 0 "[ . 1 . 2]" 1 1193 1 62 ILE HB 1 63 LYS H . . 4.020 3.992 3.907 4.025 0.005 18 0 "[ . 1 . 2]" 1 1194 1 62 ILE MD 1 62 ILE MG . . 3.010 2.133 2.045 2.267 . 0 0 "[ . 1 . 2]" 1 1195 1 62 ILE MD 1 63 LYS H . . 4.750 4.660 4.578 4.740 . 0 0 "[ . 1 . 2]" 1 1196 1 62 ILE MD 1 78 VAL HA . . 5.160 4.876 4.627 5.051 . 0 0 "[ . 1 . 2]" 1 1197 1 62 ILE MD 1 78 VAL HB . . 4.320 4.095 3.862 4.269 . 0 0 "[ . 1 . 2]" 1 1198 1 62 ILE MD 1 78 VAL MG2 . . 3.450 2.105 1.904 2.265 . 0 0 "[ . 1 . 2]" 1 1199 1 62 ILE HG12 1 63 LYS H . . 3.960 3.793 3.743 3.830 . 0 0 "[ . 1 . 2]" 1 1200 1 62 ILE HG13 1 63 LYS H . . 4.770 4.661 4.556 4.734 . 0 0 "[ . 1 . 2]" 1 1201 1 62 ILE MG 1 63 LYS H . . 3.320 2.004 1.897 2.091 . 0 0 "[ . 1 . 2]" 1 1202 1 62 ILE MG 1 63 LYS HB2 . . 5.500 4.452 4.302 4.642 . 0 0 "[ . 1 . 2]" 1 1203 1 62 ILE MG 1 64 ILE H . . 5.380 3.998 3.869 4.108 . 0 0 "[ . 1 . 2]" 1 1204 1 62 ILE MG 1 64 ILE HG12 . . 3.710 3.202 3.152 3.234 . 0 0 "[ . 1 . 2]" 1 1205 1 62 ILE MG 1 64 ILE HG13 . . 4.710 4.713 4.676 4.722 0.012 2 0 "[ . 1 . 2]" 1 1206 1 62 ILE MG 1 64 ILE MG . . 3.790 2.652 2.598 2.768 . 0 0 "[ . 1 . 2]" 1 1207 1 63 LYS H 1 63 LYS HB2 . . 3.340 2.982 2.806 3.256 . 0 0 "[ . 1 . 2]" 1 1208 1 63 LYS H 1 63 LYS HB3 . . 3.310 2.583 2.398 2.749 . 0 0 "[ . 1 . 2]" 1 1209 1 63 LYS H 1 63 LYS QG . . 4.120 4.033 3.817 4.173 0.053 18 0 "[ . 1 . 2]" 1 1210 1 63 LYS H 1 64 ILE H . . 4.460 4.434 4.390 4.469 0.009 13 0 "[ . 1 . 2]" 1 1211 1 63 LYS H 1 64 ILE MG . . 4.840 4.593 4.517 4.681 . 0 0 "[ . 1 . 2]" 1 1212 1 63 LYS HA 1 63 LYS QD . . 4.920 3.946 2.601 4.245 . 0 0 "[ . 1 . 2]" 1 1213 1 63 LYS HA 1 63 LYS QG . . 3.870 2.474 2.277 2.660 . 0 0 "[ . 1 . 2]" 1 1214 1 63 LYS HA 1 64 ILE H . . 2.840 2.175 2.154 2.205 . 0 0 "[ . 1 . 2]" 1 1215 1 63 LYS HA 1 64 ILE HB . . 5.500 5.575 5.557 5.587 0.087 6 0 "[ . 1 . 2]" 1 1216 1 63 LYS HA 1 64 ILE HG12 . . 5.100 3.401 3.295 3.463 . 0 0 "[ . 1 . 2]" 1 1217 1 63 LYS HB2 1 63 LYS QD . . 3.800 2.492 2.056 3.381 . 0 0 "[ . 1 . 2]" 1 1218 1 63 LYS HB2 1 64 ILE H . . 4.320 4.158 3.939 4.323 0.003 6 0 "[ . 1 . 2]" 1 1219 1 63 LYS HB3 1 63 LYS QD . . 3.830 2.444 2.235 3.222 . 0 0 "[ . 1 . 2]" 1 1220 1 63 LYS HB3 1 63 LYS QE . . 4.290 3.779 2.163 4.301 0.011 2 0 "[ . 1 . 2]" 1 1221 1 63 LYS HB3 1 64 ILE H . . 4.560 4.107 3.919 4.285 . 0 0 "[ . 1 . 2]" 1 1222 1 63 LYS QG 1 64 ILE H . . 3.570 2.561 2.340 2.791 . 0 0 "[ . 1 . 2]" 1 1223 1 64 ILE H 1 64 ILE MD . . 3.920 3.765 3.673 3.844 . 0 0 "[ . 1 . 2]" 1 1224 1 64 ILE H 1 64 ILE HG12 . . 3.090 2.357 2.239 2.459 . 0 0 "[ . 1 . 2]" 1 1225 1 64 ILE H 1 64 ILE HG13 . . 4.000 2.309 2.213 2.452 . 0 0 "[ . 1 . 2]" 1 1226 1 64 ILE H 1 64 ILE MG . . 4.010 3.494 3.426 3.553 . 0 0 "[ . 1 . 2]" 1 1227 1 64 ILE H 1 65 THR H . . 4.520 4.210 4.105 4.298 . 0 0 "[ . 1 . 2]" 1 1228 1 64 ILE HA 1 65 THR H . . 2.990 2.140 2.138 2.148 . 0 0 "[ . 1 . 2]" 1 1229 1 64 ILE HB 1 64 ILE MD . . 3.260 2.353 2.318 2.395 . 0 0 "[ . 1 . 2]" 1 1230 1 64 ILE HB 1 71 ILE HA . . 4.730 2.928 2.720 3.118 . 0 0 "[ . 1 . 2]" 1 1231 1 64 ILE HB 1 71 ILE HG12 . . 4.340 2.831 2.635 2.971 . 0 0 "[ . 1 . 2]" 1 1232 1 64 ILE HB 1 71 ILE MG . . 3.640 1.997 1.961 2.071 . 0 0 "[ . 1 . 2]" 1 1233 1 64 ILE MD 1 64 ILE MG . . 3.370 2.097 2.002 2.170 . 0 0 "[ . 1 . 2]" 1 1234 1 64 ILE MD 1 74 ALA H . . 4.830 4.658 4.493 4.791 . 0 0 "[ . 1 . 2]" 1 1235 1 64 ILE MD 1 74 ALA MB . . 3.740 3.020 2.859 3.137 . 0 0 "[ . 1 . 2]" 1 1236 1 64 ILE MD 1 75 ARG H . . 3.740 3.097 2.941 3.209 . 0 0 "[ . 1 . 2]" 1 1237 1 64 ILE MD 1 75 ARG HA . . 3.510 2.712 2.573 2.872 . 0 0 "[ . 1 . 2]" 1 1238 1 64 ILE MD 1 75 ARG HB2 . . 4.390 2.271 2.186 2.390 . 0 0 "[ . 1 . 2]" 1 1239 1 64 ILE MD 1 75 ARG HB3 . . 4.270 3.589 3.488 3.736 . 0 0 "[ . 1 . 2]" 1 1240 1 64 ILE MD 1 75 ARG QD . . 5.110 2.374 1.915 3.640 . 0 0 "[ . 1 . 2]" 1 1241 1 64 ILE MD 1 75 ARG QG . . 3.690 2.045 1.861 2.418 . 0 0 "[ . 1 . 2]" 1 1242 1 64 ILE MD 1 76 HIS H . . 5.040 4.896 4.778 5.029 . 0 0 "[ . 1 . 2]" 1 1243 1 64 ILE MD 1 78 VAL H . . 5.500 5.453 5.270 5.502 0.002 3 0 "[ . 1 . 2]" 1 1244 1 64 ILE MD 1 78 VAL MG1 . . 3.380 3.199 3.067 3.371 . 0 0 "[ . 1 . 2]" 1 1245 1 64 ILE HG12 1 64 ILE MG . . 3.460 2.271 2.234 2.309 . 0 0 "[ . 1 . 2]" 1 1246 1 64 ILE MG 1 65 THR H . . 3.580 3.524 3.418 3.583 0.003 7 0 "[ . 1 . 2]" 1 1247 1 64 ILE MG 1 65 THR HA . . 5.370 5.251 5.210 5.291 . 0 0 "[ . 1 . 2]" 1 1248 1 64 ILE MG 1 71 ILE HA . . 3.470 3.408 3.236 3.471 0.001 4 0 "[ . 1 . 2]" 1 1249 1 64 ILE MG 1 71 ILE HG12 . . 4.240 4.190 4.078 4.241 0.001 9 0 "[ . 1 . 2]" 1 1250 1 64 ILE MG 1 71 ILE MG . . 3.130 3.095 3.023 3.139 0.009 2 0 "[ . 1 . 2]" 1 1251 1 64 ILE MG 1 74 ALA H . . 4.570 4.469 4.334 4.572 0.002 9 0 "[ . 1 . 2]" 1 1252 1 64 ILE MG 1 74 ALA MB . . 2.940 1.991 1.925 2.076 . 0 0 "[ . 1 . 2]" 1 1253 1 64 ILE MG 1 75 ARG H . . 3.930 3.896 3.757 3.936 0.006 2 0 "[ . 1 . 2]" 1 1254 1 64 ILE MG 1 75 ARG HA . . 5.490 3.991 3.863 4.105 . 0 0 "[ . 1 . 2]" 1 1255 1 64 ILE MG 1 75 ARG HB2 . . 4.220 4.193 4.123 4.222 0.002 1 0 "[ . 1 . 2]" 1 1256 1 65 THR H 1 65 THR HB . . 3.290 2.756 2.635 2.864 . 0 0 "[ . 1 . 2]" 1 1257 1 65 THR H 1 65 THR MG . . 4.180 3.901 3.848 3.942 . 0 0 "[ . 1 . 2]" 1 1258 1 65 THR H 1 66 GLY H . . 4.560 4.441 4.389 4.485 . 0 0 "[ . 1 . 2]" 1 1259 1 65 THR H 1 71 ILE MD . . 4.380 4.312 4.202 4.385 0.005 4 0 "[ . 1 . 2]" 1 1260 1 65 THR H 1 71 ILE HG12 . . 4.170 3.782 3.587 4.086 . 0 0 "[ . 1 . 2]" 1 1261 1 65 THR HA 1 65 THR MG . . 3.520 2.317 2.130 2.411 . 0 0 "[ . 1 . 2]" 1 1262 1 65 THR HA 1 66 GLY H . . 2.780 2.228 2.175 2.281 . 0 0 "[ . 1 . 2]" 1 1263 1 65 THR HA 1 71 ILE MD . . 4.110 2.206 1.983 2.486 . 0 0 "[ . 1 . 2]" 1 1264 1 65 THR HA 1 71 ILE HG12 . . 4.800 2.975 2.762 3.330 . 0 0 "[ . 1 . 2]" 1 1265 1 65 THR HA 1 71 ILE HG13 . . 5.110 4.064 3.774 4.462 . 0 0 "[ . 1 . 2]" 1 1266 1 65 THR HB 1 66 GLY H . . 4.090 3.879 3.759 4.000 . 0 0 "[ . 1 . 2]" 1 1267 1 65 THR MG 1 66 GLY H . . 3.340 2.178 1.993 2.497 . 0 0 "[ . 1 . 2]" 1 1268 1 65 THR MG 1 66 GLY HA2 . . 5.260 3.168 2.943 3.467 . 0 0 "[ . 1 . 2]" 1 1269 1 65 THR MG 1 66 GLY HA3 . . 5.260 4.003 3.797 4.241 . 0 0 "[ . 1 . 2]" 1 1270 1 66 GLY H 1 67 THR H . . 4.480 4.332 4.224 4.385 . 0 0 "[ . 1 . 2]" 1 1271 1 66 GLY H 1 67 THR HA . . 4.970 4.929 4.839 4.973 0.003 16 0 "[ . 1 . 2]" 1 1272 1 66 GLY H 1 71 ILE MD . . 3.350 1.958 1.881 2.104 . 0 0 "[ . 1 . 2]" 1 1273 1 66 GLY H 1 71 ILE HG13 . . 3.890 3.277 3.072 3.513 . 0 0 "[ . 1 . 2]" 1 1274 1 66 GLY H 1 71 ILE MG . . 4.750 4.617 4.420 4.755 0.005 16 0 "[ . 1 . 2]" 1 1275 1 66 GLY QA 1 67 THR H . . 2.740 2.178 2.130 2.212 . 0 0 "[ . 1 . 2]" 1 1276 1 66 GLY HA2 1 67 THR H . . 3.220 2.952 2.861 3.093 . 0 0 "[ . 1 . 2]" 1 1277 1 66 GLY HA2 1 71 ILE HG13 . . 5.080 4.276 4.067 4.422 . 0 0 "[ . 1 . 2]" 1 1278 1 66 GLY HA3 1 67 THR H . . 3.220 2.244 2.170 2.303 . 0 0 "[ . 1 . 2]" 1 1279 1 66 GLY HA3 1 71 ILE HG13 . . 5.080 3.005 2.791 3.222 . 0 0 "[ . 1 . 2]" 1 1280 1 67 THR H 1 67 THR HB . . 3.760 3.623 3.528 3.681 . 0 0 "[ . 1 . 2]" 1 1281 1 67 THR H 1 67 THR MG . . 2.900 2.483 2.227 2.881 . 0 0 "[ . 1 . 2]" 1 1282 1 67 THR H 1 68 LYS H . . 4.650 4.593 4.563 4.608 . 0 0 "[ . 1 . 2]" 1 1283 1 67 THR H 1 70 GLY H . . 4.100 3.607 3.506 3.703 . 0 0 "[ . 1 . 2]" 1 1284 1 67 THR H 1 70 GLY HA2 . . 5.050 4.968 4.778 5.053 0.003 11 0 "[ . 1 . 2]" 1 1285 1 67 THR H 1 70 GLY HA3 . . 3.980 3.262 3.064 3.352 . 0 0 "[ . 1 . 2]" 1 1286 1 67 THR H 1 71 ILE MD . . 4.930 4.207 3.870 4.469 . 0 0 "[ . 1 . 2]" 1 1287 1 67 THR HA 1 68 LYS H . . 3.030 2.269 2.202 2.477 . 0 0 "[ . 1 . 2]" 1 1288 1 67 THR HA 1 69 GLU H . . 4.190 4.043 3.836 4.190 0.000 19 0 "[ . 1 . 2]" 1 1289 1 67 THR HB 1 68 LYS H . . 3.090 2.777 2.217 3.017 . 0 0 "[ . 1 . 2]" 1 1290 1 67 THR HB 1 70 GLY H . . 4.310 3.245 2.780 3.655 . 0 0 "[ . 1 . 2]" 1 1291 1 67 THR HG1 1 70 GLY H . . 5.230 2.262 1.902 2.758 . 0 0 "[ . 1 . 2]" 1 1292 1 67 THR MG 1 68 LYS H . . 3.920 3.724 3.353 3.887 . 0 0 "[ . 1 . 2]" 1 1293 1 67 THR MG 1 69 GLU H . . 4.840 4.235 4.022 4.394 . 0 0 "[ . 1 . 2]" 1 1294 1 67 THR MG 1 70 GLY H . . 4.230 4.007 3.846 4.211 . 0 0 "[ . 1 . 2]" 1 1295 1 68 LYS H 1 68 LYS HB2 . . 3.400 2.253 2.164 2.502 . 0 0 "[ . 1 . 2]" 1 1296 1 68 LYS H 1 68 LYS QB . . 2.920 2.176 2.121 2.268 . 0 0 "[ . 1 . 2]" 1 1297 1 68 LYS H 1 68 LYS HB3 . . 3.400 2.998 2.595 3.487 0.087 4 0 "[ . 1 . 2]" 1 1298 1 68 LYS H 1 68 LYS QG . . 4.680 3.747 2.860 4.070 . 0 0 "[ . 1 . 2]" 1 1299 1 68 LYS H 1 69 GLU H . . 3.540 2.851 2.533 2.951 . 0 0 "[ . 1 . 2]" 1 1300 1 68 LYS H 1 69 GLU HA . . 5.500 5.429 5.181 5.505 0.005 16 0 "[ . 1 . 2]" 1 1301 1 68 LYS H 1 70 GLY H . . 4.790 4.354 4.024 4.792 0.002 9 0 "[ . 1 . 2]" 1 1302 1 68 LYS H 1 71 ILE MD . . 4.770 4.430 4.181 4.718 . 0 0 "[ . 1 . 2]" 1 1303 1 68 LYS HA 1 68 LYS QD . . 3.990 2.951 2.032 4.002 0.012 3 0 "[ . 1 . 2]" 1 1304 1 68 LYS HA 1 68 LYS HG2 . . 4.150 2.994 2.203 3.835 . 0 0 "[ . 1 . 2]" 1 1305 1 68 LYS HA 1 68 LYS QG . . 3.390 2.401 2.147 2.914 . 0 0 "[ . 1 . 2]" 1 1306 1 68 LYS HA 1 68 LYS HG3 . . 4.150 2.948 2.185 3.633 . 0 0 "[ . 1 . 2]" 1 1307 1 68 LYS HA 1 71 ILE H . . 4.370 4.223 4.029 4.355 . 0 0 "[ . 1 . 2]" 1 1308 1 68 LYS HA 1 71 ILE HB . . 3.950 3.555 3.323 3.722 . 0 0 "[ . 1 . 2]" 1 1309 1 68 LYS HA 1 71 ILE MD . . 3.520 3.413 3.248 3.525 0.005 4 0 "[ . 1 . 2]" 1 1310 1 68 LYS HA 1 71 ILE HG13 . . 4.590 4.427 4.203 4.587 . 0 0 "[ . 1 . 2]" 1 1311 1 68 LYS HA 1 72 GLU H . . 4.320 4.225 3.962 4.319 . 0 0 "[ . 1 . 2]" 1 1312 1 68 LYS QB 1 69 GLU H . . 3.380 2.767 2.583 2.977 . 0 0 "[ . 1 . 2]" 1 1313 1 68 LYS QG 1 69 GLU H . . 4.650 4.260 3.609 4.652 0.002 4 0 "[ . 1 . 2]" 1 1314 1 68 LYS HG2 1 69 GLU H . . 5.370 4.818 4.499 5.356 . 0 0 "[ . 1 . 2]" 1 1315 1 68 LYS HG3 1 69 GLU H . . 5.370 4.833 3.766 5.372 0.002 8 0 "[ . 1 . 2]" 1 1316 1 69 GLU H 1 69 GLU HB2 . . 3.250 2.417 2.339 2.480 . 0 0 "[ . 1 . 2]" 1 1317 1 69 GLU H 1 69 GLU HB3 . . 3.790 3.607 3.579 3.627 . 0 0 "[ . 1 . 2]" 1 1318 1 69 GLU H 1 69 GLU HG2 . . 4.200 3.291 2.372 4.180 . 0 0 "[ . 1 . 2]" 1 1319 1 69 GLU H 1 69 GLU QG . . 3.630 2.641 2.339 3.372 . 0 0 "[ . 1 . 2]" 1 1320 1 69 GLU H 1 69 GLU HG3 . . 4.200 3.199 2.367 3.968 . 0 0 "[ . 1 . 2]" 1 1321 1 69 GLU H 1 70 GLY H . . 3.350 2.432 2.229 2.704 . 0 0 "[ . 1 . 2]" 1 1322 1 69 GLU HA 1 69 GLU HG2 . . 3.870 2.924 2.352 3.719 . 0 0 "[ . 1 . 2]" 1 1323 1 69 GLU HA 1 69 GLU HG3 . . 3.870 3.163 2.282 3.794 . 0 0 "[ . 1 . 2]" 1 1324 1 69 GLU HA 1 72 GLU H . . 3.830 3.758 3.619 3.830 . 0 0 "[ . 1 . 2]" 1 1325 1 69 GLU HA 1 72 GLU HB2 . . 3.230 2.669 2.551 2.828 . 0 0 "[ . 1 . 2]" 1 1326 1 69 GLU HA 1 73 LYS H . . 4.470 4.192 3.890 4.431 . 0 0 "[ . 1 . 2]" 1 1327 1 69 GLU HB2 1 70 GLY H . . 3.780 2.591 2.274 2.792 . 0 0 "[ . 1 . 2]" 1 1328 1 69 GLU HB2 1 70 GLY HA2 . . 4.840 4.314 4.210 4.439 . 0 0 "[ . 1 . 2]" 1 1329 1 69 GLU HB2 1 70 GLY HA3 . . 4.770 4.556 4.447 4.685 . 0 0 "[ . 1 . 2]" 1 1330 1 69 GLU HB2 1 71 ILE H . . 5.500 5.351 5.094 5.460 . 0 0 "[ . 1 . 2]" 1 1331 1 69 GLU HB3 1 70 GLY H . . 3.670 3.567 3.114 3.673 0.003 8 0 "[ . 1 . 2]" 1 1332 1 69 GLU QG 1 70 GLY H . . 4.540 4.145 3.960 4.458 . 0 0 "[ . 1 . 2]" 1 1333 1 70 GLY H 1 71 ILE H . . 3.270 2.898 2.764 3.027 . 0 0 "[ . 1 . 2]" 1 1334 1 70 GLY H 1 71 ILE HB . . 5.500 5.050 4.908 5.201 . 0 0 "[ . 1 . 2]" 1 1335 1 70 GLY H 1 72 GLU H . . 4.530 4.209 4.075 4.392 . 0 0 "[ . 1 . 2]" 1 1336 1 70 GLY H 1 73 LYS QD . . 5.500 4.441 4.063 5.152 . 0 0 "[ . 1 . 2]" 1 1337 1 70 GLY HA2 1 71 ILE HG13 . . 5.500 5.307 5.238 5.371 . 0 0 "[ . 1 . 2]" 1 1338 1 70 GLY HA2 1 73 LYS H . . 4.210 3.728 3.612 3.891 . 0 0 "[ . 1 . 2]" 1 1339 1 70 GLY HA2 1 73 LYS HB2 . . 4.250 3.027 2.864 3.225 . 0 0 "[ . 1 . 2]" 1 1340 1 70 GLY HA2 1 73 LYS HB3 . . 4.890 4.622 4.437 4.849 . 0 0 "[ . 1 . 2]" 1 1341 1 70 GLY HA2 1 73 LYS QD . . 4.400 2.564 2.230 2.912 . 0 0 "[ . 1 . 2]" 1 1342 1 70 GLY HA2 1 73 LYS QG . . 5.340 4.081 3.837 4.458 . 0 0 "[ . 1 . 2]" 1 1343 1 70 GLY HA2 1 74 ALA H . . 4.680 4.401 4.227 4.529 . 0 0 "[ . 1 . 2]" 1 1344 1 70 GLY HA2 1 74 ALA MB . . 5.500 4.958 4.743 5.160 . 0 0 "[ . 1 . 2]" 1 1345 1 70 GLY HA3 1 71 ILE HG13 . . 5.020 4.000 3.938 4.094 . 0 0 "[ . 1 . 2]" 1 1346 1 70 GLY HA3 1 73 LYS HB2 . . 4.700 4.527 4.347 4.704 0.004 4 0 "[ . 1 . 2]" 1 1347 1 70 GLY HA3 1 73 LYS QD . . 4.930 4.184 3.856 4.548 . 0 0 "[ . 1 . 2]" 1 1348 1 71 ILE H 1 71 ILE HB . . 3.150 2.600 2.569 2.642 . 0 0 "[ . 1 . 2]" 1 1349 1 71 ILE H 1 71 ILE MD . . 3.640 3.448 3.357 3.531 . 0 0 "[ . 1 . 2]" 1 1350 1 71 ILE H 1 71 ILE HG12 . . 3.430 3.313 3.205 3.381 . 0 0 "[ . 1 . 2]" 1 1351 1 71 ILE H 1 71 ILE HG13 . . 3.190 1.969 1.907 2.028 . 0 0 "[ . 1 . 2]" 1 1352 1 71 ILE H 1 71 ILE MG . . 3.820 3.764 3.764 3.766 . 0 0 "[ . 1 . 2]" 1 1353 1 71 ILE H 1 72 GLU H . . 3.410 2.816 2.728 2.874 . 0 0 "[ . 1 . 2]" 1 1354 1 71 ILE H 1 72 GLU HB2 . . 4.970 4.748 4.677 4.814 . 0 0 "[ . 1 . 2]" 1 1355 1 71 ILE HA 1 71 ILE MD . . 3.890 3.859 3.836 3.876 . 0 0 "[ . 1 . 2]" 1 1356 1 71 ILE HA 1 71 ILE HG13 . . 3.660 2.959 2.895 3.035 . 0 0 "[ . 1 . 2]" 1 1357 1 71 ILE HA 1 71 ILE MG . . 3.420 2.300 2.269 2.346 . 0 0 "[ . 1 . 2]" 1 1358 1 71 ILE HA 1 72 GLU HA . . 5.290 4.843 4.817 4.870 . 0 0 "[ . 1 . 2]" 1 1359 1 71 ILE HA 1 73 LYS H . . 4.900 4.588 4.406 4.850 . 0 0 "[ . 1 . 2]" 1 1360 1 71 ILE HA 1 74 ALA H . . 3.930 3.661 3.525 3.805 . 0 0 "[ . 1 . 2]" 1 1361 1 71 ILE HA 1 74 ALA MB . . 3.640 2.885 2.674 3.032 . 0 0 "[ . 1 . 2]" 1 1362 1 71 ILE HA 1 75 ARG H . . 4.820 3.995 3.928 4.098 . 0 0 "[ . 1 . 2]" 1 1363 1 71 ILE HB 1 71 ILE MD . . 3.340 2.344 2.244 2.408 . 0 0 "[ . 1 . 2]" 1 1364 1 71 ILE HB 1 72 GLU H . . 3.410 2.528 2.353 2.657 . 0 0 "[ . 1 . 2]" 1 1365 1 71 ILE MD 1 72 GLU H . . 4.620 4.442 4.251 4.547 . 0 0 "[ . 1 . 2]" 1 1366 1 71 ILE HG13 1 71 ILE MG . . 3.630 3.191 3.185 3.201 . 0 0 "[ . 1 . 2]" 1 1367 1 71 ILE HG13 1 72 GLU H . . 4.190 4.169 4.127 4.191 0.001 5 0 "[ . 1 . 2]" 1 1368 1 71 ILE MG 1 72 GLU H . . 3.790 3.423 3.226 3.555 . 0 0 "[ . 1 . 2]" 1 1369 1 71 ILE MG 1 72 GLU HA . . 3.830 3.514 3.367 3.627 . 0 0 "[ . 1 . 2]" 1 1370 1 71 ILE MG 1 74 ALA MB . . 4.090 3.709 3.494 3.835 . 0 0 "[ . 1 . 2]" 1 1371 1 71 ILE MG 1 75 ARG QD . . 4.460 2.879 2.430 4.195 . 0 0 "[ . 1 . 2]" 1 1372 1 72 GLU H 1 72 GLU HB2 . . 3.060 2.302 2.224 2.435 . 0 0 "[ . 1 . 2]" 1 1373 1 72 GLU H 1 72 GLU HB3 . . 3.750 3.550 3.518 3.588 . 0 0 "[ . 1 . 2]" 1 1374 1 72 GLU H 1 72 GLU HG2 . . 3.920 3.146 2.463 3.891 . 0 0 "[ . 1 . 2]" 1 1375 1 72 GLU H 1 72 GLU QG . . 3.330 2.596 2.285 3.330 0.000 16 0 "[ . 1 . 2]" 1 1376 1 72 GLU H 1 72 GLU HG3 . . 3.920 3.220 2.311 3.916 . 0 0 "[ . 1 . 2]" 1 1377 1 72 GLU H 1 75 ARG H . . 4.700 4.610 4.563 4.641 . 0 0 "[ . 1 . 2]" 1 1378 1 72 GLU H 1 75 ARG HB2 . . 5.220 4.702 4.538 4.840 . 0 0 "[ . 1 . 2]" 1 1379 1 72 GLU HA 1 72 GLU HG2 . . 4.190 2.601 2.259 3.675 . 0 0 "[ . 1 . 2]" 1 1380 1 72 GLU HA 1 72 GLU QG . . 3.650 2.463 2.194 2.772 . 0 0 "[ . 1 . 2]" 1 1381 1 72 GLU HA 1 72 GLU HG3 . . 4.190 3.264 2.689 3.712 . 0 0 "[ . 1 . 2]" 1 1382 1 72 GLU HA 1 74 ALA H . . 4.850 4.736 4.458 4.849 . 0 0 "[ . 1 . 2]" 1 1383 1 72 GLU HA 1 75 ARG H . . 3.910 3.476 3.391 3.551 . 0 0 "[ . 1 . 2]" 1 1384 1 72 GLU HA 1 75 ARG HB2 . . 3.590 2.989 2.773 3.109 . 0 0 "[ . 1 . 2]" 1 1385 1 72 GLU HA 1 75 ARG HB3 . . 3.790 2.793 2.643 2.944 . 0 0 "[ . 1 . 2]" 1 1386 1 72 GLU HA 1 76 HIS H . . 4.090 3.999 3.888 4.094 0.004 18 0 "[ . 1 . 2]" 1 1387 1 72 GLU HB2 1 73 LYS H . . 3.440 2.558 2.437 2.697 . 0 0 "[ . 1 . 2]" 1 1388 1 72 GLU HB2 1 75 ARG H . . 5.500 5.468 5.385 5.504 0.004 8 0 "[ . 1 . 2]" 1 1389 1 72 GLU HB3 1 73 LYS H . . 3.320 3.190 2.913 3.320 0.000 11 0 "[ . 1 . 2]" 1 1390 1 72 GLU HB3 1 75 ARG H . . 5.500 5.254 5.149 5.333 . 0 0 "[ . 1 . 2]" 1 1391 1 72 GLU QG 1 73 LYS H . . 4.360 4.210 4.113 4.362 0.002 16 0 "[ . 1 . 2]" 1 1392 1 72 GLU HG2 1 73 LYS H . . 5.070 4.746 4.498 4.984 . 0 0 "[ . 1 . 2]" 1 1393 1 72 GLU HG3 1 73 LYS H . . 5.070 4.738 4.433 5.007 . 0 0 "[ . 1 . 2]" 1 1394 1 73 LYS H 1 73 LYS HB2 . . 3.030 2.327 2.252 2.420 . 0 0 "[ . 1 . 2]" 1 1395 1 73 LYS H 1 73 LYS HB3 . . 3.670 3.559 3.531 3.586 . 0 0 "[ . 1 . 2]" 1 1396 1 73 LYS H 1 73 LYS QD . . 4.150 3.339 1.923 3.815 . 0 0 "[ . 1 . 2]" 1 1397 1 73 LYS H 1 73 LYS QG . . 3.200 2.590 2.358 3.207 0.007 9 0 "[ . 1 . 2]" 1 1398 1 73 LYS H 1 74 ALA H . . 3.170 2.913 2.787 3.044 . 0 0 "[ . 1 . 2]" 1 1399 1 73 LYS H 1 75 ARG H . . 4.580 4.050 3.950 4.214 . 0 0 "[ . 1 . 2]" 1 1400 1 73 LYS HA 1 73 LYS QD . . 4.100 3.954 3.132 4.105 0.005 3 0 "[ . 1 . 2]" 1 1401 1 73 LYS HA 1 73 LYS HG2 . . 3.690 2.747 2.509 3.488 . 0 0 "[ . 1 . 2]" 1 1402 1 73 LYS HA 1 73 LYS HG3 . . 3.690 2.596 2.200 2.770 . 0 0 "[ . 1 . 2]" 1 1403 1 73 LYS HA 1 76 HIS H . . 3.730 3.559 3.508 3.632 . 0 0 "[ . 1 . 2]" 1 1404 1 73 LYS HA 1 76 HIS HB2 . . 4.030 3.567 3.437 3.800 . 0 0 "[ . 1 . 2]" 1 1405 1 73 LYS HA 1 76 HIS HB3 . . 3.780 3.152 2.924 3.332 . 0 0 "[ . 1 . 2]" 1 1406 1 73 LYS HA 1 77 GLU H . . 4.470 4.342 4.188 4.464 . 0 0 "[ . 1 . 2]" 1 1407 1 73 LYS HB2 1 73 LYS QD . . 3.670 2.240 2.126 2.384 . 0 0 "[ . 1 . 2]" 1 1408 1 73 LYS HB2 1 73 LYS QE . . 4.060 3.604 2.611 4.059 . 0 0 "[ . 1 . 2]" 1 1409 1 73 LYS HB2 1 74 ALA H . . 3.340 2.472 2.322 2.674 . 0 0 "[ . 1 . 2]" 1 1410 1 73 LYS HB2 1 74 ALA HA . . 4.860 4.547 4.415 4.623 . 0 0 "[ . 1 . 2]" 1 1411 1 73 LYS HB3 1 73 LYS QD . . 3.420 2.766 2.402 3.226 . 0 0 "[ . 1 . 2]" 1 1412 1 73 LYS HB3 1 74 ALA H . . 3.350 3.140 2.980 3.346 . 0 0 "[ . 1 . 2]" 1 1413 1 73 LYS HB3 1 74 ALA HA . . 4.710 4.078 4.002 4.154 . 0 0 "[ . 1 . 2]" 1 1414 1 73 LYS HB3 1 76 HIS HB3 . . 5.320 5.137 4.974 5.265 . 0 0 "[ . 1 . 2]" 1 1415 1 73 LYS QD 1 74 ALA H . . 5.280 4.397 4.114 4.730 . 0 0 "[ . 1 . 2]" 1 1416 1 73 LYS QE 1 73 LYS QG . . 3.450 2.260 2.054 2.666 . 0 0 "[ . 1 . 2]" 1 1417 1 73 LYS QG 1 74 ALA H . . 4.840 4.224 4.135 4.380 . 0 0 "[ . 1 . 2]" 1 1418 1 74 ALA H 1 74 ALA MB . . 2.910 2.073 2.026 2.173 . 0 0 "[ . 1 . 2]" 1 1419 1 74 ALA H 1 75 ARG H . . 3.330 2.654 2.548 2.741 . 0 0 "[ . 1 . 2]" 1 1420 1 74 ALA H 1 76 HIS H . . 4.610 4.118 3.980 4.237 . 0 0 "[ . 1 . 2]" 1 1421 1 74 ALA HA 1 77 GLU H . . 3.700 3.416 3.358 3.517 . 0 0 "[ . 1 . 2]" 1 1422 1 74 ALA HA 1 77 GLU HB2 . . 3.400 2.731 2.603 2.806 . 0 0 "[ . 1 . 2]" 1 1423 1 74 ALA HA 1 77 GLU HB3 . . 4.450 4.387 4.231 4.452 0.002 3 0 "[ . 1 . 2]" 1 1424 1 74 ALA HA 1 77 GLU HG2 . . 4.270 3.849 3.643 3.972 . 0 0 "[ . 1 . 2]" 1 1425 1 74 ALA HA 1 77 GLU HG3 . . 4.060 3.708 3.492 3.858 . 0 0 "[ . 1 . 2]" 1 1426 1 74 ALA HA 1 78 VAL H . . 4.230 3.775 3.634 3.998 . 0 0 "[ . 1 . 2]" 1 1427 1 74 ALA HA 1 78 VAL HB . . 5.150 4.584 4.442 4.739 . 0 0 "[ . 1 . 2]" 1 1428 1 74 ALA MB 1 75 ARG H . . 3.260 2.754 2.543 2.825 . 0 0 "[ . 1 . 2]" 1 1429 1 74 ALA MB 1 75 ARG HA . . 3.810 3.775 3.706 3.836 0.026 8 0 "[ . 1 . 2]" 1 1430 1 74 ALA MB 1 76 HIS H . . 4.640 4.510 4.389 4.624 . 0 0 "[ . 1 . 2]" 1 1431 1 74 ALA MB 1 77 GLU H . . 4.730 4.565 4.511 4.656 . 0 0 "[ . 1 . 2]" 1 1432 1 74 ALA MB 1 77 GLU HG2 . . 5.350 5.240 5.059 5.345 . 0 0 "[ . 1 . 2]" 1 1433 1 74 ALA MB 1 77 GLU HG3 . . 5.200 5.045 4.857 5.167 . 0 0 "[ . 1 . 2]" 1 1434 1 74 ALA MB 1 78 VAL H . . 4.470 4.330 4.223 4.458 . 0 0 "[ . 1 . 2]" 1 1435 1 74 ALA MB 1 78 VAL MG1 . . 4.380 4.005 3.785 4.266 . 0 0 "[ . 1 . 2]" 1 1436 1 75 ARG H 1 75 ARG HB2 . . 3.190 2.243 2.220 2.268 . 0 0 "[ . 1 . 2]" 1 1437 1 75 ARG H 1 75 ARG HB3 . . 3.250 2.864 2.826 2.885 . 0 0 "[ . 1 . 2]" 1 1438 1 75 ARG H 1 75 ARG QD . . 4.560 4.356 4.164 4.615 0.055 8 0 "[ . 1 . 2]" 1 1439 1 75 ARG H 1 75 ARG HG2 . . 4.940 4.554 4.442 4.618 . 0 0 "[ . 1 . 2]" 1 1440 1 75 ARG H 1 75 ARG QG . . 4.310 3.874 3.854 3.919 . 0 0 "[ . 1 . 2]" 1 1441 1 75 ARG H 1 75 ARG HG3 . . 4.940 4.196 4.161 4.246 . 0 0 "[ . 1 . 2]" 1 1442 1 75 ARG H 1 76 HIS H . . 3.370 2.570 2.519 2.615 . 0 0 "[ . 1 . 2]" 1 1443 1 75 ARG H 1 76 HIS HA . . 5.400 5.202 5.162 5.238 . 0 0 "[ . 1 . 2]" 1 1444 1 75 ARG H 1 77 GLU H . . 4.800 4.028 3.888 4.258 . 0 0 "[ . 1 . 2]" 1 1445 1 75 ARG H 1 78 VAL H . . 5.250 4.745 4.662 4.851 . 0 0 "[ . 1 . 2]" 1 1446 1 75 ARG H 1 78 VAL HB . . 5.500 5.449 5.342 5.501 0.001 1 0 "[ . 1 . 2]" 1 1447 1 75 ARG HA 1 75 ARG QD . . 4.700 3.919 3.753 4.012 . 0 0 "[ . 1 . 2]" 1 1448 1 75 ARG HA 1 75 ARG HG2 . . 3.920 2.823 2.425 3.119 . 0 0 "[ . 1 . 2]" 1 1449 1 75 ARG HA 1 75 ARG QG . . 3.380 2.257 2.183 2.320 . 0 0 "[ . 1 . 2]" 1 1450 1 75 ARG HA 1 75 ARG HG3 . . 3.920 2.423 2.231 2.793 . 0 0 "[ . 1 . 2]" 1 1451 1 75 ARG HA 1 76 HIS HA . . 4.900 4.735 4.714 4.766 . 0 0 "[ . 1 . 2]" 1 1452 1 75 ARG HA 1 77 GLU H . . 4.700 4.301 4.043 4.671 . 0 0 "[ . 1 . 2]" 1 1453 1 75 ARG HA 1 78 VAL H . . 4.360 3.669 3.469 3.829 . 0 0 "[ . 1 . 2]" 1 1454 1 75 ARG HA 1 78 VAL HB . . 3.920 3.766 3.565 3.873 . 0 0 "[ . 1 . 2]" 1 1455 1 75 ARG HA 1 78 VAL MG1 . . 3.270 2.051 1.927 2.141 . 0 0 "[ . 1 . 2]" 1 1456 1 75 ARG HA 1 79 LEU H . . 4.140 3.956 3.674 4.135 . 0 0 "[ . 1 . 2]" 1 1457 1 75 ARG HA 1 79 LEU MD1 . . 5.400 3.813 3.603 4.065 . 0 0 "[ . 1 . 2]" 1 1458 1 75 ARG HB2 1 75 ARG QD . . 3.830 2.379 2.118 2.925 . 0 0 "[ . 1 . 2]" 1 1459 1 75 ARG HB2 1 76 HIS H . . 3.950 3.671 3.612 3.722 . 0 0 "[ . 1 . 2]" 1 1460 1 75 ARG HB2 1 76 HIS HA . . 5.500 5.501 5.477 5.514 0.014 9 0 "[ . 1 . 2]" 1 1461 1 75 ARG HB2 1 76 HIS HB2 . . 5.500 5.484 5.452 5.516 0.016 8 0 "[ . 1 . 2]" 1 1462 1 75 ARG HB3 1 75 ARG QD . . 3.400 2.553 2.080 3.100 . 0 0 "[ . 1 . 2]" 1 1463 1 75 ARG HB3 1 76 HIS H . . 3.830 2.799 2.622 2.918 . 0 0 "[ . 1 . 2]" 1 1464 1 75 ARG HB3 1 76 HIS HA . . 4.780 4.019 3.973 4.052 . 0 0 "[ . 1 . 2]" 1 1465 1 75 ARG HB3 1 78 VAL MG1 . . 4.370 4.309 4.217 4.372 0.002 8 0 "[ . 1 . 2]" 1 1466 1 75 ARG HB3 1 79 LEU MD1 . . 3.970 3.565 3.345 3.820 . 0 0 "[ . 1 . 2]" 1 1467 1 75 ARG QD 1 79 LEU MD1 . . 3.980 3.454 2.442 3.980 . 0 0 "[ . 1 . 2]" 1 1468 1 75 ARG QG 1 76 HIS H . . 4.410 4.221 4.105 4.298 . 0 0 "[ . 1 . 2]" 1 1469 1 75 ARG QG 1 79 LEU H . . 5.150 4.589 4.103 4.803 . 0 0 "[ . 1 . 2]" 1 1470 1 75 ARG QG 1 79 LEU MD1 . . 3.090 2.027 1.927 2.375 . 0 0 "[ . 1 . 2]" 1 1471 1 75 ARG QG 1 79 LEU HG . . 4.290 3.286 2.723 3.546 . 0 0 "[ . 1 . 2]" 1 1472 1 75 ARG HG2 1 78 VAL MG1 . . 4.550 3.520 2.997 3.867 . 0 0 "[ . 1 . 2]" 1 1473 1 75 ARG HG2 1 79 LEU MD1 . . 3.570 2.044 1.953 2.418 . 0 0 "[ . 1 . 2]" 1 1474 1 75 ARG HG3 1 78 VAL MG1 . . 4.550 3.328 2.998 3.706 . 0 0 "[ . 1 . 2]" 1 1475 1 75 ARG HG3 1 79 LEU MD1 . . 3.570 3.407 2.968 3.570 0.000 16 0 "[ . 1 . 2]" 1 1476 1 76 HIS H 1 76 HIS HB2 . . 3.050 2.440 2.379 2.515 . 0 0 "[ . 1 . 2]" 1 1477 1 76 HIS H 1 76 HIS HB3 . . 3.100 2.671 2.604 2.722 . 0 0 "[ . 1 . 2]" 1 1478 1 76 HIS H 1 76 HIS HD2 . . 5.310 5.291 5.208 5.311 0.001 3 0 "[ . 1 . 2]" 1 1479 1 76 HIS H 1 77 GLU H . . 3.390 2.494 2.422 2.571 . 0 0 "[ . 1 . 2]" 1 1480 1 76 HIS H 1 78 VAL H . . 4.660 4.189 4.038 4.312 . 0 0 "[ . 1 . 2]" 1 1481 1 76 HIS H 1 79 LEU H . . 5.100 4.716 4.573 4.795 . 0 0 "[ . 1 . 2]" 1 1482 1 76 HIS H 1 79 LEU MD1 . . 4.860 4.507 4.171 4.730 . 0 0 "[ . 1 . 2]" 1 1483 1 76 HIS HA 1 76 HIS HD2 . . 5.050 4.382 4.129 4.669 . 0 0 "[ . 1 . 2]" 1 1484 1 76 HIS HA 1 77 GLU HA . . 4.930 4.714 4.670 4.777 . 0 0 "[ . 1 . 2]" 1 1485 1 76 HIS HA 1 78 VAL H . . 4.930 4.776 4.590 4.888 . 0 0 "[ . 1 . 2]" 1 1486 1 76 HIS HA 1 79 LEU H . . 4.080 3.756 3.545 3.866 . 0 0 "[ . 1 . 2]" 1 1487 1 76 HIS HA 1 79 LEU HB2 . . 3.750 2.857 2.632 2.948 . 0 0 "[ . 1 . 2]" 1 1488 1 76 HIS HA 1 79 LEU HB3 . . 4.500 4.293 4.054 4.378 . 0 0 "[ . 1 . 2]" 1 1489 1 76 HIS HA 1 79 LEU MD1 . . 3.750 3.073 2.494 3.356 . 0 0 "[ . 1 . 2]" 1 1490 1 76 HIS HA 1 79 LEU HG . . 4.920 4.814 4.555 4.923 0.003 3 0 "[ . 1 . 2]" 1 1491 1 76 HIS HA 1 80 LEU H . . 4.470 4.014 3.885 4.132 . 0 0 "[ . 1 . 2]" 1 1492 1 76 HIS HA 1 80 LEU HG . . 4.570 4.077 3.836 4.398 . 0 0 "[ . 1 . 2]" 1 1493 1 76 HIS HB2 1 77 GLU H . . 4.010 3.853 3.683 3.976 . 0 0 "[ . 1 . 2]" 1 1494 1 76 HIS HB2 1 79 LEU HB2 . . 5.500 5.388 5.183 5.495 . 0 0 "[ . 1 . 2]" 1 1495 1 76 HIS HB3 1 77 GLU H . . 3.450 2.790 2.504 2.964 . 0 0 "[ . 1 . 2]" 1 1496 1 76 HIS HD2 1 77 GLU H . . 4.900 4.698 4.306 4.903 0.003 8 0 "[ . 1 . 2]" 1 1497 1 76 HIS HD2 1 77 GLU HA . . 4.760 4.306 3.865 4.761 0.001 12 0 "[ . 1 . 2]" 1 1498 1 76 HIS HD2 1 77 GLU HG2 . . 4.910 4.268 3.982 4.484 . 0 0 "[ . 1 . 2]" 1 1499 1 76 HIS HD2 1 80 LEU MD1 . . 4.090 2.283 1.932 3.103 . 0 0 "[ . 1 . 2]" 1 1500 1 76 HIS HE1 1 80 LEU MD1 . . 4.510 4.072 3.695 4.444 . 0 0 "[ . 1 . 2]" 1 1501 1 76 HIS HE1 1 80 LEU MD2 . . 4.840 4.238 3.655 4.759 . 0 0 "[ . 1 . 2]" 1 1502 1 77 GLU H 1 77 GLU HB2 . . 3.220 2.395 2.317 2.480 . 0 0 "[ . 1 . 2]" 1 1503 1 77 GLU H 1 77 GLU HB3 . . 3.660 3.592 3.565 3.608 . 0 0 "[ . 1 . 2]" 1 1504 1 77 GLU H 1 77 GLU HG2 . . 3.290 2.486 2.265 2.630 . 0 0 "[ . 1 . 2]" 1 1505 1 77 GLU H 1 77 GLU HG3 . . 4.120 3.718 3.564 3.881 . 0 0 "[ . 1 . 2]" 1 1506 1 77 GLU H 1 78 VAL H . . 3.320 2.543 2.418 2.702 . 0 0 "[ . 1 . 2]" 1 1507 1 77 GLU H 1 78 VAL MG1 . . 4.390 3.894 3.670 4.091 . 0 0 "[ . 1 . 2]" 1 1508 1 77 GLU H 1 79 LEU H . . 4.480 3.858 3.688 4.028 . 0 0 "[ . 1 . 2]" 1 1509 1 77 GLU H 1 80 LEU HB2 . . 5.040 4.861 4.776 4.978 . 0 0 "[ . 1 . 2]" 1 1510 1 77 GLU HA 1 77 GLU HG2 . . 4.010 2.906 2.830 3.016 . 0 0 "[ . 1 . 2]" 1 1511 1 77 GLU HA 1 77 GLU HG3 . . 4.240 3.738 3.701 3.785 . 0 0 "[ . 1 . 2]" 1 1512 1 77 GLU HA 1 78 VAL HA . . 5.160 4.795 4.772 4.821 . 0 0 "[ . 1 . 2]" 1 1513 1 77 GLU HA 1 80 LEU H . . 3.900 3.436 3.315 3.551 . 0 0 "[ . 1 . 2]" 1 1514 1 77 GLU HA 1 80 LEU HB2 . . 3.440 2.529 2.438 2.602 . 0 0 "[ . 1 . 2]" 1 1515 1 77 GLU HA 1 80 LEU HB3 . . 4.140 4.066 3.956 4.140 . 0 0 "[ . 1 . 2]" 1 1516 1 77 GLU HA 1 80 LEU MD1 . . 3.580 2.806 2.578 3.251 . 0 0 "[ . 1 . 2]" 1 1517 1 77 GLU HA 1 80 LEU HG . . 4.200 4.101 3.997 4.201 0.001 9 0 "[ . 1 . 2]" 1 1518 1 77 GLU HA 1 81 ILE H . . 4.170 4.019 3.918 4.104 . 0 0 "[ . 1 . 2]" 1 1519 1 77 GLU HB2 1 78 VAL H . . 4.390 2.494 2.394 2.603 . 0 0 "[ . 1 . 2]" 1 1520 1 77 GLU HB3 1 78 VAL H . . 4.320 3.444 3.315 3.542 . 0 0 "[ . 1 . 2]" 1 1521 1 77 GLU HB3 1 80 LEU H . . 5.500 5.356 5.201 5.477 . 0 0 "[ . 1 . 2]" 1 1522 1 77 GLU HG2 1 78 VAL H . . 4.750 4.359 4.214 4.499 . 0 0 "[ . 1 . 2]" 1 1523 1 77 GLU HG2 1 81 ILE MD . . 5.420 5.344 5.115 5.420 . 0 0 "[ . 1 . 2]" 1 1524 1 77 GLU HG3 1 81 ILE MD . . 4.960 4.876 4.739 4.959 . 0 0 "[ . 1 . 2]" 1 1525 1 78 VAL H 1 78 VAL HB . . 2.910 2.376 2.310 2.449 . 0 0 "[ . 1 . 2]" 1 1526 1 78 VAL H 1 78 VAL MG1 . . 2.990 2.362 2.205 2.503 . 0 0 "[ . 1 . 2]" 1 1527 1 78 VAL H 1 78 VAL MG2 . . 3.820 3.725 3.693 3.751 . 0 0 "[ . 1 . 2]" 1 1528 1 78 VAL H 1 79 LEU H . . 3.320 2.666 2.595 2.757 . 0 0 "[ . 1 . 2]" 1 1529 1 78 VAL H 1 79 LEU HB2 . . 4.810 4.618 4.535 4.718 . 0 0 "[ . 1 . 2]" 1 1530 1 78 VAL H 1 79 LEU HG . . 5.500 5.182 5.077 5.362 . 0 0 "[ . 1 . 2]" 1 1531 1 78 VAL H 1 80 LEU H . . 4.440 4.190 4.057 4.369 . 0 0 "[ . 1 . 2]" 1 1532 1 78 VAL H 1 80 LEU HB2 . . 5.500 5.043 4.941 5.165 . 0 0 "[ . 1 . 2]" 1 1533 1 78 VAL HA 1 78 VAL MG1 . . 3.610 3.188 3.170 3.199 . 0 0 "[ . 1 . 2]" 1 1534 1 78 VAL HA 1 78 VAL MG2 . . 3.290 2.252 2.115 2.348 . 0 0 "[ . 1 . 2]" 1 1535 1 78 VAL HA 1 79 LEU HA . . 5.500 4.721 4.684 4.752 . 0 0 "[ . 1 . 2]" 1 1536 1 78 VAL HA 1 80 LEU H . . 4.820 4.562 4.381 4.746 . 0 0 "[ . 1 . 2]" 1 1537 1 78 VAL HA 1 81 ILE H . . 3.880 3.809 3.720 3.881 0.001 1 0 "[ . 1 . 2]" 1 1538 1 78 VAL HA 1 81 ILE HB . . 3.600 3.230 3.077 3.345 . 0 0 "[ . 1 . 2]" 1 1539 1 78 VAL HA 1 81 ILE MD . . 3.490 2.609 2.129 2.914 . 0 0 "[ . 1 . 2]" 1 1540 1 78 VAL HA 1 81 ILE HG12 . . 5.390 5.220 5.014 5.384 . 0 0 "[ . 1 . 2]" 1 1541 1 78 VAL HA 1 82 SER H . . 4.430 4.083 3.912 4.296 . 0 0 "[ . 1 . 2]" 1 1542 1 78 VAL HB 1 79 LEU H . . 4.010 3.833 3.676 3.948 . 0 0 "[ . 1 . 2]" 1 1543 1 78 VAL MG1 1 79 LEU H . . 4.280 2.009 1.875 2.263 . 0 0 "[ . 1 . 2]" 1 1544 1 78 VAL MG1 1 79 LEU HA . . 4.350 3.115 2.940 3.242 . 0 0 "[ . 1 . 2]" 1 1545 1 78 VAL MG1 1 79 LEU HB2 . . 4.240 3.342 3.266 3.424 . 0 0 "[ . 1 . 2]" 1 1546 1 78 VAL MG1 1 79 LEU HG . . 3.160 2.473 2.379 2.540 . 0 0 "[ . 1 . 2]" 1 1547 1 78 VAL MG2 1 79 LEU H . . 3.990 3.883 3.789 3.969 . 0 0 "[ . 1 . 2]" 1 1548 1 78 VAL MG2 1 79 LEU HA . . 4.710 4.010 3.817 4.157 . 0 0 "[ . 1 . 2]" 1 1549 1 79 LEU H 1 79 LEU HB2 . . 3.180 2.197 2.171 2.237 . 0 0 "[ . 1 . 2]" 1 1550 1 79 LEU H 1 79 LEU HB3 . . 3.700 3.502 3.484 3.529 . 0 0 "[ . 1 . 2]" 1 1551 1 79 LEU H 1 79 LEU MD1 . . 4.210 3.611 3.351 3.797 . 0 0 "[ . 1 . 2]" 1 1552 1 79 LEU H 1 79 LEU MD2 . . 4.690 4.065 3.957 4.129 . 0 0 "[ . 1 . 2]" 1 1553 1 79 LEU H 1 79 LEU HG . . 3.150 3.011 2.897 3.104 . 0 0 "[ . 1 . 2]" 1 1554 1 79 LEU H 1 80 LEU H . . 3.270 2.496 2.387 2.572 . 0 0 "[ . 1 . 2]" 1 1555 1 79 LEU H 1 81 ILE H . . 4.830 4.140 3.960 4.325 . 0 0 "[ . 1 . 2]" 1 1556 1 79 LEU HA 1 79 LEU MD1 . . 4.060 3.828 3.817 3.843 . 0 0 "[ . 1 . 2]" 1 1557 1 79 LEU HA 1 79 LEU MD2 . . 3.050 2.274 1.990 2.593 . 0 0 "[ . 1 . 2]" 1 1558 1 79 LEU HA 1 79 LEU HG . . 3.370 2.662 2.576 2.740 . 0 0 "[ . 1 . 2]" 1 1559 1 79 LEU HA 1 83 ALA H . . 4.270 3.800 3.703 3.980 . 0 0 "[ . 1 . 2]" 1 1560 1 79 LEU HB2 1 79 LEU MD1 . . 3.380 2.142 1.981 2.299 . 0 0 "[ . 1 . 2]" 1 1561 1 79 LEU HB2 1 79 LEU MD2 . . 3.620 3.163 3.117 3.184 . 0 0 "[ . 1 . 2]" 1 1562 1 79 LEU HB2 1 80 LEU H . . 3.470 2.768 2.590 2.887 . 0 0 "[ . 1 . 2]" 1 1563 1 79 LEU HB3 1 79 LEU MD1 . . 3.310 2.517 2.389 2.670 . 0 0 "[ . 1 . 2]" 1 1564 1 79 LEU HB3 1 79 LEU MD2 . . 3.290 2.200 2.017 2.357 . 0 0 "[ . 1 . 2]" 1 1565 1 79 LEU HB3 1 80 LEU H . . 3.840 3.341 3.196 3.463 . 0 0 "[ . 1 . 2]" 1 1566 1 79 LEU MD1 1 80 LEU H . . 4.630 4.517 4.247 4.620 . 0 0 "[ . 1 . 2]" 1 1567 1 80 LEU H 1 80 LEU HB2 . . 3.040 2.196 2.168 2.224 . 0 0 "[ . 1 . 2]" 1 1568 1 80 LEU H 1 80 LEU HB3 . . 3.660 3.502 3.485 3.519 . 0 0 "[ . 1 . 2]" 1 1569 1 80 LEU H 1 80 LEU MD1 . . 4.160 3.710 3.560 3.865 . 0 0 "[ . 1 . 2]" 1 1570 1 80 LEU H 1 80 LEU MD2 . . 4.390 3.866 3.734 3.940 . 0 0 "[ . 1 . 2]" 1 1571 1 80 LEU H 1 80 LEU HG . . 3.370 2.867 2.793 2.968 . 0 0 "[ . 1 . 2]" 1 1572 1 80 LEU H 1 81 ILE H . . 3.320 2.735 2.664 2.836 . 0 0 "[ . 1 . 2]" 1 1573 1 80 LEU H 1 81 ILE HA . . 5.400 5.330 5.266 5.402 0.002 8 0 "[ . 1 . 2]" 1 1574 1 80 LEU H 1 82 SER H . . 4.550 4.425 4.185 4.550 0.000 13 0 "[ . 1 . 2]" 1 1575 1 80 LEU HA 1 80 LEU MD1 . . 3.990 3.817 3.792 3.831 . 0 0 "[ . 1 . 2]" 1 1576 1 80 LEU HA 1 80 LEU MD2 . . 3.280 2.046 1.974 2.217 . 0 0 "[ . 1 . 2]" 1 1577 1 80 LEU HA 1 80 LEU HG . . 3.800 2.765 2.683 2.878 . 0 0 "[ . 1 . 2]" 1 1578 1 80 LEU HA 1 83 ALA MB . . 3.040 2.699 2.430 2.954 . 0 0 "[ . 1 . 2]" 1 1579 1 80 LEU HA 1 84 GLU H . . 4.190 4.126 3.941 4.190 0.000 13 0 "[ . 1 . 2]" 1 1580 1 80 LEU HB2 1 80 LEU MD1 . . 3.580 2.248 2.120 2.373 . 0 0 "[ . 1 . 2]" 1 1581 1 80 LEU HB2 1 81 ILE H . . 3.700 2.701 2.554 2.819 . 0 0 "[ . 1 . 2]" 1 1582 1 80 LEU HB3 1 80 LEU MD1 . . 3.570 2.417 2.251 2.509 . 0 0 "[ . 1 . 2]" 1 1583 1 80 LEU HB3 1 80 LEU MD2 . . 3.350 2.316 2.224 2.360 . 0 0 "[ . 1 . 2]" 1 1584 1 80 LEU HB3 1 81 ILE H . . 3.740 3.205 3.055 3.321 . 0 0 "[ . 1 . 2]" 1 1585 1 80 LEU HB3 1 81 ILE HA . . 4.950 4.023 3.969 4.070 . 0 0 "[ . 1 . 2]" 1 1586 1 80 LEU HB3 1 81 ILE HG13 . . 4.660 3.749 3.601 3.915 . 0 0 "[ . 1 . 2]" 1 1587 1 80 LEU MD2 1 83 ALA H . . 5.480 5.201 5.046 5.384 . 0 0 "[ . 1 . 2]" 1 1588 1 80 LEU MD2 1 84 GLU H . . 5.430 4.746 4.578 4.860 . 0 0 "[ . 1 . 2]" 1 1589 1 80 LEU HG 1 81 ILE H . . 5.030 4.744 4.674 4.805 . 0 0 "[ . 1 . 2]" 1 1590 1 81 ILE H 1 81 ILE HB . . 2.920 2.530 2.462 2.615 . 0 0 "[ . 1 . 2]" 1 1591 1 81 ILE H 1 81 ILE MD . . 3.530 3.221 3.095 3.345 . 0 0 "[ . 1 . 2]" 1 1592 1 81 ILE H 1 81 ILE HG12 . . 3.840 3.623 3.472 3.760 . 0 0 "[ . 1 . 2]" 1 1593 1 81 ILE H 1 81 ILE HG13 . . 3.050 2.142 1.956 2.300 . 0 0 "[ . 1 . 2]" 1 1594 1 81 ILE H 1 81 ILE MG . . 3.790 3.762 3.754 3.769 . 0 0 "[ . 1 . 2]" 1 1595 1 81 ILE H 1 82 SER H . . 3.380 2.788 2.599 2.972 . 0 0 "[ . 1 . 2]" 1 1596 1 81 ILE H 1 83 ALA H . . 4.430 4.113 3.855 4.419 . 0 0 "[ . 1 . 2]" 1 1597 1 81 ILE HA 1 81 ILE MD . . 3.980 3.879 3.847 3.914 . 0 0 "[ . 1 . 2]" 1 1598 1 81 ILE HA 1 81 ILE HG12 . . 3.490 2.774 2.695 2.824 . 0 0 "[ . 1 . 2]" 1 1599 1 81 ILE HA 1 81 ILE HG13 . . 3.390 2.727 2.649 2.859 . 0 0 "[ . 1 . 2]" 1 1600 1 81 ILE HA 1 81 ILE MG . . 3.290 2.395 2.260 2.466 . 0 0 "[ . 1 . 2]" 1 1601 1 81 ILE HA 1 83 ALA H . . 4.840 4.497 4.176 4.807 . 0 0 "[ . 1 . 2]" 1 1602 1 81 ILE HA 1 84 GLU H . . 4.080 3.710 3.578 3.843 . 0 0 "[ . 1 . 2]" 1 1603 1 81 ILE HA 1 84 GLU HB2 . . 4.080 2.947 2.765 3.139 . 0 0 "[ . 1 . 2]" 1 1604 1 81 ILE HA 1 84 GLU HB3 . . 4.750 4.524 4.328 4.732 . 0 0 "[ . 1 . 2]" 1 1605 1 81 ILE HA 1 84 GLU HG2 . . 5.240 4.525 4.091 5.211 . 0 0 "[ . 1 . 2]" 1 1606 1 81 ILE HA 1 84 GLU QG . . 4.430 3.614 3.348 3.877 . 0 0 "[ . 1 . 2]" 1 1607 1 81 ILE HA 1 84 GLU HG3 . . 5.240 3.823 3.482 4.215 . 0 0 "[ . 1 . 2]" 1 1608 1 81 ILE HA 1 85 GLN H . . 4.640 4.546 4.342 4.638 . 0 0 "[ . 1 . 2]" 1 1609 1 81 ILE HB 1 81 ILE MD . . 3.340 2.155 2.100 2.266 . 0 0 "[ . 1 . 2]" 1 1610 1 81 ILE HB 1 82 SER H . . 3.350 2.309 2.181 2.564 . 0 0 "[ . 1 . 2]" 1 1611 1 81 ILE HB 1 82 SER HA . . 4.360 4.202 4.101 4.285 . 0 0 "[ . 1 . 2]" 1 1612 1 81 ILE HB 1 82 SER QB . . 4.930 4.201 3.931 4.602 . 0 0 "[ . 1 . 2]" 1 1613 1 81 ILE HB 1 83 ALA H . . 5.020 4.867 4.676 5.012 . 0 0 "[ . 1 . 2]" 1 1614 1 81 ILE HB 1 85 GLN HE21 . . 5.500 5.152 4.538 5.496 . 0 0 "[ . 1 . 2]" 1 1615 1 81 ILE MD 1 81 ILE MG . . 2.840 2.404 2.275 2.498 . 0 0 "[ . 1 . 2]" 1 1616 1 81 ILE MD 1 82 SER H . . 4.330 4.068 3.938 4.234 . 0 0 "[ . 1 . 2]" 1 1617 1 81 ILE HG12 1 81 ILE MG . . 3.450 2.145 2.063 2.288 . 0 0 "[ . 1 . 2]" 1 1618 1 81 ILE HG13 1 81 ILE MG . . 3.280 3.149 3.133 3.175 . 0 0 "[ . 1 . 2]" 1 1619 1 81 ILE MG 1 82 SER H . . 3.590 3.192 3.012 3.359 . 0 0 "[ . 1 . 2]" 1 1620 1 81 ILE MG 1 82 SER HA . . 4.140 3.363 3.131 3.513 . 0 0 "[ . 1 . 2]" 1 1621 1 81 ILE MG 1 83 ALA H . . 5.500 4.904 4.681 5.073 . 0 0 "[ . 1 . 2]" 1 1622 1 81 ILE MG 1 84 GLU H . . 5.500 4.788 4.607 4.978 . 0 0 "[ . 1 . 2]" 1 1623 1 81 ILE MG 1 85 GLN H . . 4.630 4.235 4.078 4.439 . 0 0 "[ . 1 . 2]" 1 1624 1 81 ILE MG 1 85 GLN HE21 . . 4.120 2.412 2.101 2.734 . 0 0 "[ . 1 . 2]" 1 1625 1 81 ILE MG 1 85 GLN HE22 . . 4.450 3.727 3.074 4.058 . 0 0 "[ . 1 . 2]" 1 1626 1 81 ILE MG 1 85 GLN HG2 . . 4.280 3.029 2.744 3.381 . 0 0 "[ . 1 . 2]" 1 1627 1 81 ILE MG 1 85 GLN HG3 . . 4.680 3.642 3.342 3.978 . 0 0 "[ . 1 . 2]" 1 1628 1 82 SER H 1 82 SER QB . . 3.280 2.484 2.186 2.669 . 0 0 "[ . 1 . 2]" 1 1629 1 82 SER H 1 83 ALA H . . 3.310 2.790 2.631 2.998 . 0 0 "[ . 1 . 2]" 1 1630 1 82 SER H 1 83 ALA MB . . 4.550 4.363 4.234 4.484 . 0 0 "[ . 1 . 2]" 1 1631 1 82 SER H 1 84 GLU H . . 4.560 4.489 4.272 4.560 0.000 5 0 "[ . 1 . 2]" 1 1632 1 82 SER HA 1 83 ALA MB . . 5.480 5.012 4.996 5.030 . 0 0 "[ . 1 . 2]" 1 1633 1 82 SER HA 1 85 GLN H . . 3.900 3.623 3.379 3.832 . 0 0 "[ . 1 . 2]" 1 1634 1 82 SER HA 1 85 GLN HB2 . . 4.450 3.170 2.659 3.508 . 0 0 "[ . 1 . 2]" 1 1635 1 82 SER HA 1 85 GLN HB3 . . 4.920 4.575 4.135 4.876 . 0 0 "[ . 1 . 2]" 1 1636 1 82 SER HA 1 85 GLN HE21 . . 5.300 4.537 3.937 5.102 . 0 0 "[ . 1 . 2]" 1 1637 1 82 SER HA 1 85 GLN HG2 . . 3.820 2.828 2.244 3.220 . 0 0 "[ . 1 . 2]" 1 1638 1 82 SER HA 1 85 GLN HG3 . . 4.780 3.209 3.017 3.499 . 0 0 "[ . 1 . 2]" 1 1639 1 82 SER HA 1 86 ASP H . . 5.340 4.638 4.246 4.881 . 0 0 "[ . 1 . 2]" 1 1640 1 82 SER QB 1 83 ALA H . . 3.350 3.026 2.506 3.348 . 0 0 "[ . 1 . 2]" 1 1641 1 82 SER QB 1 83 ALA MB . . 4.660 4.258 3.810 4.528 . 0 0 "[ . 1 . 2]" 1 1642 1 82 SER QB 1 86 ASP H . . 5.500 5.142 4.622 5.450 . 0 0 "[ . 1 . 2]" 1 1643 1 83 ALA H 1 83 ALA MB . . 2.800 2.117 2.023 2.224 . 0 0 "[ . 1 . 2]" 1 1644 1 83 ALA H 1 84 GLU H . . 3.270 2.853 2.692 3.025 . 0 0 "[ . 1 . 2]" 1 1645 1 83 ALA H 1 84 GLU HB2 . . 5.200 4.694 4.490 4.863 . 0 0 "[ . 1 . 2]" 1 1646 1 83 ALA H 1 85 GLN H . . 4.600 4.233 3.947 4.339 . 0 0 "[ . 1 . 2]" 1 1647 1 83 ALA H 1 85 GLN HG2 . . 5.500 5.017 4.627 5.228 . 0 0 "[ . 1 . 2]" 1 1648 1 83 ALA H 1 86 ASP QB . . 5.450 5.131 4.807 5.419 . 0 0 "[ . 1 . 2]" 1 1649 1 83 ALA HA 1 85 GLN H . . 4.450 4.346 4.034 4.446 . 0 0 "[ . 1 . 2]" 1 1650 1 83 ALA HA 1 86 ASP H . . 3.870 3.487 3.337 3.637 . 0 0 "[ . 1 . 2]" 1 1651 1 83 ALA HA 1 86 ASP QB . . 3.590 2.891 2.499 3.206 . 0 0 "[ . 1 . 2]" 1 1652 1 83 ALA MB 1 84 GLU H . . 3.260 2.417 2.256 2.585 . 0 0 "[ . 1 . 2]" 1 1653 1 83 ALA MB 1 84 GLU HA . . 3.990 3.682 3.589 3.830 . 0 0 "[ . 1 . 2]" 1 1654 1 84 GLU H 1 84 GLU HB2 . . 3.090 2.283 2.192 2.479 . 0 0 "[ . 1 . 2]" 1 1655 1 84 GLU H 1 84 GLU HB3 . . 3.670 3.543 3.498 3.595 . 0 0 "[ . 1 . 2]" 1 1656 1 84 GLU H 1 84 GLU HG2 . . 3.920 2.867 2.585 3.774 . 0 0 "[ . 1 . 2]" 1 1657 1 84 GLU H 1 84 GLU HG3 . . 3.920 3.513 2.237 3.887 . 0 0 "[ . 1 . 2]" 1 1658 1 84 GLU H 1 85 GLN H . . 3.250 2.854 2.634 2.994 . 0 0 "[ . 1 . 2]" 1 1659 1 84 GLU H 1 85 GLN HB2 . . 5.200 5.085 4.830 5.188 . 0 0 "[ . 1 . 2]" 1 1660 1 84 GLU HA 1 84 GLU HG2 . . 4.150 2.535 2.264 2.736 . 0 0 "[ . 1 . 2]" 1 1661 1 84 GLU HA 1 84 GLU QG . . 3.590 2.474 2.214 2.660 . 0 0 "[ . 1 . 2]" 1 1662 1 84 GLU HA 1 84 GLU HG3 . . 4.150 3.530 2.736 3.679 . 0 0 "[ . 1 . 2]" 1 1663 1 84 GLU HA 1 86 ASP H . . 4.740 4.461 3.942 4.731 . 0 0 "[ . 1 . 2]" 1 1664 1 84 GLU HA 1 87 LYS H . . 3.980 3.596 3.059 3.821 . 0 0 "[ . 1 . 2]" 1 1665 1 84 GLU HA 1 87 LYS HB2 . . 4.060 3.777 3.097 4.083 0.023 12 0 "[ . 1 . 2]" 1 1666 1 84 GLU HA 1 87 LYS HB3 . . 4.060 3.479 2.760 4.013 . 0 0 "[ . 1 . 2]" 1 1667 1 84 GLU HB2 1 85 GLN H . . 3.600 2.754 2.534 3.039 . 0 0 "[ . 1 . 2]" 1 1668 1 84 GLU HB2 1 85 GLN HA . . 4.830 4.617 4.352 4.688 . 0 0 "[ . 1 . 2]" 1 1669 1 84 GLU HB3 1 85 GLN H . . 3.760 3.304 3.128 3.621 . 0 0 "[ . 1 . 2]" 1 1670 1 84 GLU HB3 1 85 GLN HA . . 5.010 4.074 3.981 4.255 . 0 0 "[ . 1 . 2]" 1 1671 1 84 GLU HB3 1 85 GLN HE21 . . 5.500 4.608 3.945 4.957 . 0 0 "[ . 1 . 2]" 1 1672 1 84 GLU HB3 1 85 GLN HE22 . . 4.950 4.797 3.874 4.951 0.001 12 0 "[ . 1 . 2]" 1 1673 1 84 GLU QG 1 85 GLN H . . 5.110 4.311 4.144 4.443 . 0 0 "[ . 1 . 2]" 1 1674 1 85 GLN H 1 85 GLN HB2 . . 3.270 2.578 2.477 2.673 . 0 0 "[ . 1 . 2]" 1 1675 1 85 GLN H 1 85 GLN HB3 . . 3.680 3.589 3.581 3.594 . 0 0 "[ . 1 . 2]" 1 1676 1 85 GLN H 1 85 GLN HE21 . . 4.500 3.859 3.208 4.117 . 0 0 "[ . 1 . 2]" 1 1677 1 85 GLN H 1 85 GLN HE22 . . 4.920 4.749 4.215 4.921 0.001 17 0 "[ . 1 . 2]" 1 1678 1 85 GLN H 1 85 GLN HG2 . . 3.720 2.094 1.945 2.374 . 0 0 "[ . 1 . 2]" 1 1679 1 85 GLN H 1 85 GLN HG3 . . 3.970 3.604 3.484 3.807 . 0 0 "[ . 1 . 2]" 1 1680 1 85 GLN H 1 86 ASP H . . 3.180 2.782 2.620 2.938 . 0 0 "[ . 1 . 2]" 1 1681 1 85 GLN H 1 86 ASP QB . . 4.800 4.467 4.280 4.577 . 0 0 "[ . 1 . 2]" 1 1682 1 85 GLN HA 1 85 GLN HE21 . . 4.720 4.233 3.832 4.542 . 0 0 "[ . 1 . 2]" 1 1683 1 85 GLN HA 1 85 GLN HE22 . . 4.850 4.111 3.717 4.344 . 0 0 "[ . 1 . 2]" 1 1684 1 85 GLN HA 1 85 GLN HG2 . . 4.120 3.201 3.136 3.363 . 0 0 "[ . 1 . 2]" 1 1685 1 85 GLN HA 1 87 LYS H . . 4.620 4.202 3.501 4.613 . 0 0 "[ . 1 . 2]" 1 1686 1 85 GLN HA 1 88 ARG HB2 . . 4.980 3.907 2.377 4.987 0.007 12 0 "[ . 1 . 2]" 1 1687 1 85 GLN HA 1 88 ARG QB . . 4.170 3.348 2.361 4.158 . 0 0 "[ . 1 . 2]" 1 1688 1 85 GLN HA 1 88 ARG HB3 . . 4.980 4.153 2.647 4.954 . 0 0 "[ . 1 . 2]" 1 1689 1 85 GLN HA 1 88 ARG QD . . 4.690 3.385 2.057 4.612 . 0 0 "[ . 1 . 2]" 1 1690 1 85 GLN HB2 1 86 ASP H . . 3.870 2.507 2.314 2.913 . 0 0 "[ . 1 . 2]" 1 1691 1 85 GLN HB3 1 85 GLN HE22 . . 5.380 4.756 4.687 4.893 . 0 0 "[ . 1 . 2]" 1 1692 1 85 GLN HB3 1 86 ASP H . . 3.840 3.617 3.386 3.852 0.012 12 0 "[ . 1 . 2]" 1 1693 1 85 GLN HE21 1 85 GLN HG2 . . 3.470 2.293 2.126 2.446 . 0 0 "[ . 1 . 2]" 1 1694 1 85 GLN HE22 1 85 GLN HG2 . . 3.780 3.506 3.441 3.569 . 0 0 "[ . 1 . 2]" 1 1695 1 85 GLN HG2 1 86 ASP H . . 4.610 4.157 3.962 4.438 . 0 0 "[ . 1 . 2]" 1 1696 1 86 ASP H 1 86 ASP QB . . 3.000 2.221 2.149 2.288 . 0 0 "[ . 1 . 2]" 1 1697 1 86 ASP H 1 87 LYS H . . 3.200 2.807 2.236 3.024 . 0 0 "[ . 1 . 2]" 1 1698 1 86 ASP QB 1 87 LYS H . . 3.240 2.663 2.345 3.126 . 0 0 "[ . 1 . 2]" 1 1699 1 87 LYS H 1 87 LYS HB2 . . 3.610 2.518 2.266 3.540 . 0 0 "[ . 1 . 2]" 1 1700 1 87 LYS H 1 87 LYS QB . . 2.960 2.263 2.176 2.370 . 0 0 "[ . 1 . 2]" 1 1701 1 87 LYS H 1 87 LYS HB3 . . 3.610 2.654 2.258 2.839 . 0 0 "[ . 1 . 2]" 1 1702 1 87 LYS H 1 87 LYS HG2 . . 4.870 4.450 2.774 4.738 . 0 0 "[ . 1 . 2]" 1 1703 1 87 LYS H 1 87 LYS QG . . 4.120 3.932 2.716 4.126 0.006 1 0 "[ . 1 . 2]" 1 1704 1 87 LYS H 1 87 LYS HG3 . . 4.870 4.415 3.871 4.543 . 0 0 "[ . 1 . 2]" 1 1705 1 87 LYS H 1 88 ARG H . . 3.310 2.764 2.503 2.913 . 0 0 "[ . 1 . 2]" 1 1706 1 87 LYS HA 1 87 LYS HG2 . . 4.230 3.136 2.316 3.813 . 0 0 "[ . 1 . 2]" 1 1707 1 87 LYS HA 1 87 LYS QG . . 3.580 2.468 2.204 3.256 . 0 0 "[ . 1 . 2]" 1 1708 1 87 LYS HA 1 87 LYS HG3 . . 4.230 2.683 2.264 3.551 . 0 0 "[ . 1 . 2]" 1 1709 1 87 LYS HA 1 88 ARG QG . . 5.200 4.986 4.150 5.222 0.022 8 0 "[ . 1 . 2]" 1 1710 1 87 LYS QB 1 88 ARG H . . 3.790 2.765 1.898 3.790 . 0 0 "[ . 1 . 2]" 1 1711 1 88 ARG H 1 88 ARG QB . . 3.360 2.554 2.224 3.131 . 0 0 "[ . 1 . 2]" 1 1712 1 88 ARG H 1 88 ARG HG2 . . 3.990 2.646 1.889 3.818 . 0 0 "[ . 1 . 2]" 1 1713 1 88 ARG H 1 88 ARG QG . . 3.490 2.184 1.879 3.187 . 0 0 "[ . 1 . 2]" 1 1714 1 88 ARG H 1 88 ARG HG3 . . 3.990 2.978 1.899 3.981 . 0 0 "[ . 1 . 2]" 1 1715 1 88 ARG H 1 89 SER H . . 4.650 3.821 2.020 4.630 . 0 0 "[ . 1 . 2]" 1 1716 1 88 ARG HA 1 88 ARG QD . . 4.620 3.734 2.249 4.462 . 0 0 "[ . 1 . 2]" 1 1717 1 88 ARG QB 1 88 ARG QD . . 3.430 2.283 2.088 2.675 . 0 0 "[ . 1 . 2]" 1 1718 1 90 GLY HA2 1 91 PRO QD . . 3.420 2.533 1.936 3.414 . 0 0 "[ . 1 . 2]" 1 1719 1 90 GLY HA3 1 91 PRO QD . . 3.420 2.327 1.901 3.394 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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