NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
468369 | 1a2i | 4291 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a2i 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 1421 _Distance_constraint_stats_list.Viol_count 1543 _Distance_constraint_stats_list.Viol_total 1311.145 _Distance_constraint_stats_list.Viol_max 0.229 _Distance_constraint_stats_list.Viol_rms 0.0135 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0023 _Distance_constraint_stats_list.Viol_average_violations_only 0.0425 _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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 ALA 0.135 0.037 6 0 "[ . 1 . 2]" 1 5 PRO 0.238 0.037 6 0 "[ . 1 . 2]" 1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 ASP 0.164 0.025 4 0 "[ . 1 . 2]" 1 8 GLY 0.021 0.021 13 0 "[ . 1 . 2]" 1 9 LEU 1.293 0.067 19 0 "[ . 1 . 2]" 1 10 LYS 1.264 0.065 16 0 "[ . 1 . 2]" 1 11 MET 0.182 0.056 13 0 "[ . 1 . 2]" 1 12 GLU 5.319 0.229 13 0 "[ . 1 . 2]" 1 13 ALA 2.374 0.105 11 0 "[ . 1 . 2]" 1 14 THR 1.142 0.062 18 0 "[ . 1 . 2]" 1 15 LYS 2.544 0.105 17 0 "[ . 1 . 2]" 1 16 GLN 2.049 0.111 5 0 "[ . 1 . 2]" 1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 VAL 0.757 0.137 12 0 "[ . 1 . 2]" 1 19 VAL 0.106 0.029 13 0 "[ . 1 . 2]" 1 20 PHE 0.028 0.010 5 0 "[ . 1 . 2]" 1 21 ASN 0.184 0.025 4 0 "[ . 1 . 2]" 1 22 HIS 0.903 0.067 19 0 "[ . 1 . 2]" 1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 THR 0.640 0.048 3 0 "[ . 1 . 2]" 1 25 HIS 5.020 0.160 13 0 "[ . 1 . 2]" 1 26 LYS 0.844 0.034 18 0 "[ . 1 . 2]" 1 27 SER 0.490 0.084 6 0 "[ . 1 . 2]" 1 28 VAL 1.321 0.081 9 0 "[ . 1 . 2]" 1 29 LYS 1.435 0.081 9 0 "[ . 1 . 2]" 1 30 CYS 0.435 0.056 16 0 "[ . 1 . 2]" 1 31 GLY 0.095 0.023 2 0 "[ . 1 . 2]" 1 32 ASP 1.676 0.088 11 0 "[ . 1 . 2]" 1 33 CYS 0.571 0.039 14 0 "[ . 1 . 2]" 1 34 HIS 1.010 0.042 11 0 "[ . 1 . 2]" 1 35 HIS 1.623 0.065 16 0 "[ . 1 . 2]" 1 36 PRO 1.636 0.065 16 0 "[ . 1 . 2]" 1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 ASN 1.573 0.135 8 0 "[ . 1 . 2]" 1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.105 0.058 7 0 "[ . 1 . 2]" 1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 ARG 0.994 0.110 14 0 "[ . 1 . 2]" 1 45 LYS 0.202 0.041 13 0 "[ . 1 . 2]" 1 46 CYS 1.427 0.088 10 0 "[ . 1 . 2]" 1 47 GLY 1.070 0.094 14 0 "[ . 1 . 2]" 1 48 THR 0.361 0.094 14 0 "[ . 1 . 2]" 1 49 ALA 0.896 0.048 1 0 "[ . 1 . 2]" 1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 CYS 2.897 0.088 10 0 "[ . 1 . 2]" 1 52 HIS 1.174 0.045 9 0 "[ . 1 . 2]" 1 53 ASP 2.674 0.129 7 0 "[ . 1 . 2]" 1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 MET 0.538 0.070 7 0 "[ . 1 . 2]" 1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 LYS 0.124 0.020 5 0 "[ . 1 . 2]" 1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 LYS 0.130 0.036 12 0 "[ . 1 . 2]" 1 61 SER 0.061 0.036 12 0 "[ . 1 . 2]" 1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 LYS 0.268 0.047 15 0 "[ . 1 . 2]" 1 64 GLY 0.172 0.034 19 0 "[ . 1 . 2]" 1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 TYR 0.095 0.020 5 0 "[ . 1 . 2]" 1 67 HIS 0.197 0.034 19 0 "[ . 1 . 2]" 1 68 VAL 0.436 0.045 9 0 "[ . 1 . 2]" 1 69 MET 0.776 0.060 10 0 "[ . 1 . 2]" 1 70 HIS 5.661 0.185 6 0 "[ . 1 . 2]" 1 71 ASP 0.018 0.011 5 0 "[ . 1 . 2]" 1 72 LYS 0.406 0.054 11 0 "[ . 1 . 2]" 1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 LYS 0.062 0.016 19 0 "[ . 1 . 2]" 1 76 PHE 0.303 0.046 16 0 "[ . 1 . 2]" 1 77 LYS 0.194 0.023 18 0 "[ . 1 . 2]" 1 78 SER 0.104 0.016 10 0 "[ . 1 . 2]" 1 79 CYS 2.276 0.127 6 0 "[ . 1 . 2]" 1 80 VAL 3.451 0.127 6 0 "[ . 1 . 2]" 1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 CYS 0.611 0.046 17 0 "[ . 1 . 2]" 1 83 HIS 4.740 0.205 19 0 "[ . 1 . 2]" 1 84 VAL 2.327 0.073 20 0 "[ . 1 . 2]" 1 85 GLU 3.168 0.069 4 0 "[ . 1 . 2]" 1 86 VAL 2.058 0.069 4 0 "[ . 1 . 2]" 1 87 ALA 0.061 0.020 17 0 "[ . 1 . 2]" 1 88 GLY 0.091 0.022 20 0 "[ . 1 . 2]" 1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ASP 1.855 0.116 20 0 "[ . 1 . 2]" 1 91 ALA 0.437 0.074 17 0 "[ . 1 . 2]" 1 92 ALA 0.074 0.025 12 0 "[ . 1 . 2]" 1 93 LYS 6.435 0.192 10 0 "[ . 1 . 2]" 1 94 LYS 2.837 0.192 10 0 "[ . 1 . 2]" 1 95 LYS 2.164 0.085 12 0 "[ . 1 . 2]" 1 96 ASP 0.247 0.025 13 0 "[ . 1 . 2]" 1 97 LEU 3.644 0.127 9 0 "[ . 1 . 2]" 1 98 THR 0.349 0.034 4 0 "[ . 1 . 2]" 1 99 GLY 0.880 0.085 12 0 "[ . 1 . 2]" 1 100 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 LYS 0.316 0.045 9 0 "[ . 1 . 2]" 1 102 LYS 0.178 0.045 9 0 "[ . 1 . 2]" 1 103 SER 2.407 0.090 4 0 "[ . 1 . 2]" 1 104 LYS 0.133 0.079 9 0 "[ . 1 . 2]" 1 105 CYS 0.764 0.074 8 0 "[ . 1 . 2]" 1 106 HIS 0.391 0.074 8 0 "[ . 1 . 2]" 1 107 GLU 0.052 0.017 18 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 1 ALA HA 1 2 PRO HD2 . . 3.100 2.554 2.185 2.984 . 0 0 "[ . 1 . 2]" 1 2 1 1 ALA HA 1 2 PRO QD . . 2.870 1.984 1.855 2.126 . 0 0 "[ . 1 . 2]" 1 3 1 1 ALA HA 1 2 PRO HD3 . . 3.100 2.111 1.917 2.356 . 0 0 "[ . 1 . 2]" 1 4 1 1 ALA MB 1 2 PRO QD . . 4.360 2.560 1.904 3.433 . 0 0 "[ . 1 . 2]" 1 5 1 2 PRO QD 1 43 TYR QD . . 10.020 2.964 1.984 3.676 . 0 0 "[ . 1 . 2]" 1 6 1 2 PRO QD 1 43 TYR QE . . 8.710 2.319 1.941 2.720 . 0 0 "[ . 1 . 2]" 1 7 1 3 LYS HA 1 4 ALA H . . 3.400 2.543 2.254 2.933 . 0 0 "[ . 1 . 2]" 1 8 1 3 LYS HA 1 4 ALA MB . . 5.400 4.104 3.985 4.253 . 0 0 "[ . 1 . 2]" 1 9 1 3 LYS QG 1 4 ALA H . . 7.000 3.068 2.213 3.796 . 0 0 "[ . 1 . 2]" 1 10 1 4 ALA H 1 4 ALA MB . . 3.600 2.070 1.943 2.181 . 0 0 "[ . 1 . 2]" 1 11 1 4 ALA HA 1 5 PRO HD2 . . 2.700 2.665 2.531 2.737 0.037 6 0 "[ . 1 . 2]" 1 12 1 4 ALA HA 1 5 PRO HD3 . . 2.500 1.977 1.928 2.009 . 0 0 "[ . 1 . 2]" 1 13 1 4 ALA HA 1 5 PRO QG . . 5.210 3.919 3.864 3.953 . 0 0 "[ . 1 . 2]" 1 14 1 4 ALA HA 1 22 HIS HD2 . . 5.300 4.602 4.330 4.847 . 0 0 "[ . 1 . 2]" 1 15 1 4 ALA MB 1 5 PRO HD2 . . 3.500 2.324 2.090 2.533 . 0 0 "[ . 1 . 2]" 1 16 1 4 ALA MB 1 5 PRO HD3 . . 4.000 3.063 2.910 3.270 . 0 0 "[ . 1 . 2]" 1 17 1 4 ALA MB 1 6 ALA HA . . 8.000 5.351 5.156 5.441 . 0 0 "[ . 1 . 2]" 1 18 1 4 ALA MB 1 22 HIS HA . . 6.500 4.369 4.218 4.541 . 0 0 "[ . 1 . 2]" 1 19 1 4 ALA MB 1 22 HIS HB2 . . 4.100 2.784 2.388 3.043 . 0 0 "[ . 1 . 2]" 1 20 1 4 ALA MB 1 22 HIS HB3 . . 4.100 2.222 2.026 2.393 . 0 0 "[ . 1 . 2]" 1 21 1 4 ALA MB 1 22 HIS HD1 . . 7.200 4.060 3.880 4.295 . 0 0 "[ . 1 . 2]" 1 22 1 4 ALA MB 1 22 HIS HD2 . . 4.000 3.048 2.789 3.202 . 0 0 "[ . 1 . 2]" 1 23 1 4 ALA MB 1 22 HIS HE1 . . 8.000 4.976 4.772 5.176 . 0 0 "[ . 1 . 2]" 1 24 1 4 ALA MB 1 26 LYS HA . . 8.000 5.311 5.137 5.498 . 0 0 "[ . 1 . 2]" 1 25 1 4 ALA MB 1 30 CYS HA . . 8.000 6.409 6.231 6.505 . 0 0 "[ . 1 . 2]" 1 26 1 5 PRO HA 1 6 ALA H . . 2.900 2.449 2.312 2.604 . 0 0 "[ . 1 . 2]" 1 27 1 5 PRO HA 1 6 ALA MB . . 5.100 4.092 4.042 4.163 . 0 0 "[ . 1 . 2]" 1 28 1 5 PRO HB2 1 6 ALA H . . 4.000 2.682 2.320 3.039 . 0 0 "[ . 1 . 2]" 1 29 1 5 PRO HB2 1 22 HIS HE1 . . 5.000 4.978 4.877 5.018 0.018 13 0 "[ . 1 . 2]" 1 30 1 5 PRO HB3 1 6 ALA H . . 4.100 3.387 3.224 3.574 . 0 0 "[ . 1 . 2]" 1 31 1 5 PRO HD2 1 22 HIS HA . . 7.000 5.261 5.175 5.378 . 0 0 "[ . 1 . 2]" 1 32 1 5 PRO HD2 1 22 HIS HB2 . . 5.200 3.290 3.156 3.417 . 0 0 "[ . 1 . 2]" 1 33 1 5 PRO HD2 1 22 HIS HB3 . . 6.400 3.588 3.542 3.746 . 0 0 "[ . 1 . 2]" 1 34 1 5 PRO HD2 1 22 HIS HD1 . . 5.200 2.967 2.886 3.120 . 0 0 "[ . 1 . 2]" 1 35 1 5 PRO HD2 1 22 HIS HD2 . . 4.400 3.785 3.653 3.911 . 0 0 "[ . 1 . 2]" 1 36 1 5 PRO HD2 1 22 HIS HE1 . . 4.100 3.497 3.379 3.616 . 0 0 "[ . 1 . 2]" 1 37 1 5 PRO HD3 1 22 HIS HD1 . . 5.700 4.521 4.431 4.669 . 0 0 "[ . 1 . 2]" 1 38 1 5 PRO QG 1 9 LEU MD2 . . 6.480 4.707 4.548 4.799 . 0 0 "[ . 1 . 2]" 1 39 1 5 PRO QG 1 22 HIS HD1 . . 5.580 2.710 2.547 2.913 . 0 0 "[ . 1 . 2]" 1 40 1 5 PRO QG 1 22 HIS HD2 . . 6.980 5.013 4.942 5.116 . 0 0 "[ . 1 . 2]" 1 41 1 5 PRO QG 1 22 HIS HE1 . . 4.180 2.669 2.549 2.740 . 0 0 "[ . 1 . 2]" 1 42 1 6 ALA H 1 6 ALA MB . . 3.400 2.059 1.937 2.160 . 0 0 "[ . 1 . 2]" 1 43 1 6 ALA HA 1 7 ASP H . . 3.200 2.598 2.297 2.833 . 0 0 "[ . 1 . 2]" 1 44 1 6 ALA MB 1 7 ASP H . . 4.000 2.330 1.928 2.888 . 0 0 "[ . 1 . 2]" 1 45 1 6 ALA MB 1 7 ASP HA . . 6.100 4.176 4.069 4.394 . 0 0 "[ . 1 . 2]" 1 46 1 7 ASP HA 1 9 LEU H . . 5.600 3.272 3.083 3.472 . 0 0 "[ . 1 . 2]" 1 47 1 7 ASP HA 1 21 ASN HA . . 3.500 3.480 3.338 3.525 0.025 4 0 "[ . 1 . 2]" 1 48 1 7 ASP HA 1 22 HIS H . . 5.000 3.593 3.268 3.868 . 0 0 "[ . 1 . 2]" 1 49 1 7 ASP QB 1 9 LEU H . . 6.580 4.338 4.021 4.896 . 0 0 "[ . 1 . 2]" 1 50 1 7 ASP HB2 1 8 GLY H . . 4.200 2.894 2.288 3.895 . 0 0 "[ . 1 . 2]" 1 51 1 7 ASP HB3 1 8 GLY H . . 4.200 3.263 2.299 3.863 . 0 0 "[ . 1 . 2]" 1 52 1 8 GLY H 1 21 ASN HA . . 3.900 3.514 3.028 3.921 0.021 13 0 "[ . 1 . 2]" 1 53 1 8 GLY HA2 1 9 LEU H . . 3.600 3.116 3.023 3.249 . 0 0 "[ . 1 . 2]" 1 54 1 8 GLY HA2 1 19 VAL MG1 . . 3.200 2.496 2.416 2.565 . 0 0 "[ . 1 . 2]" 1 55 1 8 GLY HA3 1 19 VAL MG1 . . 4.700 3.852 3.782 3.907 . 0 0 "[ . 1 . 2]" 1 56 1 8 GLY HA3 1 19 VAL MG2 . . 6.300 5.038 5.006 5.077 . 0 0 "[ . 1 . 2]" 1 57 1 9 LEU H 1 9 LEU HB3 . . 3.600 2.222 2.175 2.271 . 0 0 "[ . 1 . 2]" 1 58 1 9 LEU H 1 9 LEU MD1 . . 5.200 3.756 3.639 3.814 . 0 0 "[ . 1 . 2]" 1 59 1 9 LEU H 1 9 LEU MD2 . . 5.500 4.076 4.040 4.166 . 0 0 "[ . 1 . 2]" 1 60 1 9 LEU H 1 10 LYS H . . 4.600 4.276 4.190 4.364 . 0 0 "[ . 1 . 2]" 1 61 1 9 LEU H 1 19 VAL MG1 . . 4.600 3.676 3.499 3.798 . 0 0 "[ . 1 . 2]" 1 62 1 9 LEU H 1 20 PHE H . . 4.800 4.189 3.969 4.453 . 0 0 "[ . 1 . 2]" 1 63 1 9 LEU HA 1 9 LEU MD1 . . 4.400 3.626 3.364 3.730 . 0 0 "[ . 1 . 2]" 1 64 1 9 LEU HA 1 9 LEU MD2 . . 3.400 2.011 1.962 2.192 . 0 0 "[ . 1 . 2]" 1 65 1 9 LEU HA 1 10 LYS H . . 2.200 2.228 2.195 2.264 0.064 8 0 "[ . 1 . 2]" 1 66 1 9 LEU HA 1 10 LYS HA . . 5.200 4.392 4.372 4.422 . 0 0 "[ . 1 . 2]" 1 67 1 9 LEU HA 1 10 LYS QB . . 5.200 4.223 4.136 4.473 . 0 0 "[ . 1 . 2]" 1 68 1 9 LEU HA 1 11 MET H . . 7.000 6.176 5.781 6.316 . 0 0 "[ . 1 . 2]" 1 69 1 9 LEU HA 1 19 VAL MG1 . . 6.800 4.777 4.683 4.911 . 0 0 "[ . 1 . 2]" 1 70 1 9 LEU HA 1 19 VAL MG2 . . 6.800 5.417 5.297 5.523 . 0 0 "[ . 1 . 2]" 1 71 1 9 LEU HB3 1 10 LYS H . . 4.600 4.618 4.576 4.647 0.047 8 0 "[ . 1 . 2]" 1 72 1 9 LEU HB3 1 20 PHE H . . 4.600 3.972 3.688 4.307 . 0 0 "[ . 1 . 2]" 1 73 1 9 LEU HB3 1 20 PHE HB2 . . 7.000 5.028 4.898 5.360 . 0 0 "[ . 1 . 2]" 1 74 1 9 LEU HB3 1 20 PHE HB3 . . 6.000 3.323 3.267 3.647 . 0 0 "[ . 1 . 2]" 1 75 1 9 LEU MD1 1 10 LYS H . . 5.400 4.117 3.669 4.302 . 0 0 "[ . 1 . 2]" 1 76 1 9 LEU MD1 1 11 MET QG . . 8.400 3.837 2.221 4.789 . 0 0 "[ . 1 . 2]" 1 77 1 9 LEU MD1 1 19 VAL HA . . 6.200 4.354 4.006 4.546 . 0 0 "[ . 1 . 2]" 1 78 1 9 LEU MD1 1 20 PHE H . . 6.200 2.933 2.679 3.161 . 0 0 "[ . 1 . 2]" 1 79 1 9 LEU MD1 1 20 PHE QD . . 7.140 2.388 1.940 3.152 . 0 0 "[ . 1 . 2]" 1 80 1 9 LEU MD1 1 22 HIS H . . 7.100 5.436 4.917 5.777 . 0 0 "[ . 1 . 2]" 1 81 1 9 LEU MD2 1 10 LYS H . . 4.500 2.634 2.413 2.900 . 0 0 "[ . 1 . 2]" 1 82 1 9 LEU MD2 1 10 LYS HA . . 5.600 3.514 3.145 4.004 . 0 0 "[ . 1 . 2]" 1 83 1 9 LEU MD2 1 10 LYS QB . . 8.800 4.160 4.001 4.706 . 0 0 "[ . 1 . 2]" 1 84 1 9 LEU MD2 1 11 MET H . . 8.000 4.261 3.947 4.996 . 0 0 "[ . 1 . 2]" 1 85 1 9 LEU MD2 1 11 MET HA . . 6.300 3.863 3.672 4.215 . 0 0 "[ . 1 . 2]" 1 86 1 9 LEU MD2 1 11 MET QG . . 6.500 4.240 2.986 4.757 . 0 0 "[ . 1 . 2]" 1 87 1 9 LEU MD2 1 12 GLU H . . 8.000 5.527 5.090 5.789 . 0 0 "[ . 1 . 2]" 1 88 1 9 LEU MD2 1 20 PHE H . . 6.500 4.301 3.928 4.865 . 0 0 "[ . 1 . 2]" 1 89 1 9 LEU MD2 1 20 PHE QD . . 8.840 5.008 4.642 5.518 . 0 0 "[ . 1 . 2]" 1 90 1 9 LEU MD2 1 45 LYS HA . . 7.000 5.611 5.493 5.678 . 0 0 "[ . 1 . 2]" 1 91 1 9 LEU MD2 1 45 LYS HG3 . . 6.400 4.331 4.169 4.671 . 0 0 "[ . 1 . 2]" 1 92 1 9 LEU HG 1 22 HIS HD1 . . 4.400 4.416 4.363 4.467 0.067 19 0 "[ . 1 . 2]" 1 93 1 10 LYS H 1 10 LYS QB . . 3.600 2.390 2.213 2.748 . 0 0 "[ . 1 . 2]" 1 94 1 10 LYS H 1 10 LYS HG2 . . 4.200 3.650 2.605 4.265 0.065 16 0 "[ . 1 . 2]" 1 95 1 10 LYS H 1 10 LYS HG3 . . 5.400 4.396 3.856 4.680 . 0 0 "[ . 1 . 2]" 1 96 1 10 LYS H 1 11 MET H . . 5.100 4.545 4.459 4.602 . 0 0 "[ . 1 . 2]" 1 97 1 10 LYS H 1 19 VAL MG1 . . 6.800 4.329 4.126 4.494 . 0 0 "[ . 1 . 2]" 1 98 1 10 LYS H 1 19 VAL MG2 . . 6.900 4.105 3.928 4.228 . 0 0 "[ . 1 . 2]" 1 99 1 10 LYS H 1 20 PHE H . . 7.000 4.694 4.467 5.007 . 0 0 "[ . 1 . 2]" 1 100 1 10 LYS HA 1 11 MET H . . 2.400 2.323 2.183 2.456 0.056 13 0 "[ . 1 . 2]" 1 101 1 10 LYS HA 1 18 VAL H . . 5.800 4.234 4.090 4.395 . 0 0 "[ . 1 . 2]" 1 102 1 10 LYS QB 1 11 MET H . . 5.000 3.331 2.580 3.860 . 0 0 "[ . 1 . 2]" 1 103 1 10 LYS QB 1 18 VAL H . . 7.600 4.305 3.178 5.086 . 0 0 "[ . 1 . 2]" 1 104 1 10 LYS QB 1 19 VAL MG2 . . 6.000 1.742 1.656 1.876 . 0 0 "[ . 1 . 2]" 1 105 1 10 LYS QD 1 12 GLU HB3 . . 7.800 5.300 4.034 6.055 . 0 0 "[ . 1 . 2]" 1 106 1 10 LYS QD 1 19 VAL MG1 . . 7.500 4.424 3.491 5.163 . 0 0 "[ . 1 . 2]" 1 107 1 10 LYS QD 1 19 VAL MG2 . . 6.100 2.708 2.419 3.248 . 0 0 "[ . 1 . 2]" 1 108 1 10 LYS QE 1 19 VAL MG2 . . 5.480 3.517 2.484 4.110 . 0 0 "[ . 1 . 2]" 1 109 1 10 LYS HE2 1 19 VAL MG2 . . 5.700 4.134 3.013 4.638 . 0 0 "[ . 1 . 2]" 1 110 1 10 LYS HE3 1 19 VAL MG2 . . 5.700 3.937 2.537 4.802 . 0 0 "[ . 1 . 2]" 1 111 1 10 LYS HG2 1 11 MET H . . 4.400 3.033 2.484 3.828 . 0 0 "[ . 1 . 2]" 1 112 1 10 LYS HG3 1 11 MET H . . 4.600 3.011 2.563 4.226 . 0 0 "[ . 1 . 2]" 1 113 1 10 LYS HG3 1 12 GLU H . . 6.400 4.907 3.847 5.813 . 0 0 "[ . 1 . 2]" 1 114 1 10 LYS HG3 1 19 VAL H . . 6.000 5.046 4.061 6.029 0.029 13 0 "[ . 1 . 2]" 1 115 1 11 MET H 1 11 MET QB . . 3.900 2.912 2.586 3.162 . 0 0 "[ . 1 . 2]" 1 116 1 11 MET H 1 11 MET QG . . 4.700 2.042 1.846 2.510 . 0 0 "[ . 1 . 2]" 1 117 1 11 MET H 1 12 GLU H . . 5.500 4.172 3.920 4.462 . 0 0 "[ . 1 . 2]" 1 118 1 11 MET H 1 12 GLU HA . . 5.000 4.709 4.531 4.945 . 0 0 "[ . 1 . 2]" 1 119 1 11 MET H 1 18 VAL H . . 3.900 2.531 2.230 2.797 . 0 0 "[ . 1 . 2]" 1 120 1 11 MET H 1 18 VAL HA . . 6.400 4.654 4.360 4.827 . 0 0 "[ . 1 . 2]" 1 121 1 11 MET H 1 18 VAL HB . . 4.600 3.803 3.697 4.024 . 0 0 "[ . 1 . 2]" 1 122 1 11 MET H 1 18 VAL MG1 . . 5.300 4.323 4.287 4.373 . 0 0 "[ . 1 . 2]" 1 123 1 11 MET H 1 18 VAL MG2 . . 7.700 4.882 4.737 5.065 . 0 0 "[ . 1 . 2]" 1 124 1 11 MET H 1 19 VAL H . . 7.000 4.974 4.725 5.064 . 0 0 "[ . 1 . 2]" 1 125 1 11 MET H 1 19 VAL MG1 . . 7.700 5.440 5.247 5.541 . 0 0 "[ . 1 . 2]" 1 126 1 11 MET H 1 19 VAL MG2 . . 5.500 3.989 3.579 4.294 . 0 0 "[ . 1 . 2]" 1 127 1 11 MET H 1 20 PHE H . . 5.000 4.502 4.354 4.629 . 0 0 "[ . 1 . 2]" 1 128 1 11 MET HA 1 11 MET QG . . 3.800 3.166 2.601 3.380 . 0 0 "[ . 1 . 2]" 1 129 1 11 MET HA 1 12 GLU H . . 2.800 2.221 2.202 2.270 . 0 0 "[ . 1 . 2]" 1 130 1 11 MET HA 1 12 GLU HA . . 5.700 4.368 4.357 4.388 . 0 0 "[ . 1 . 2]" 1 131 1 11 MET HA 1 12 GLU HB2 . . 4.700 4.564 4.454 4.729 0.029 15 0 "[ . 1 . 2]" 1 132 1 11 MET HA 1 13 ALA H . . 5.400 4.482 4.307 4.602 . 0 0 "[ . 1 . 2]" 1 133 1 11 MET HA 1 13 ALA MB . . 7.500 4.677 4.375 4.826 . 0 0 "[ . 1 . 2]" 1 134 1 11 MET QB 1 13 ALA H . . 8.000 3.523 3.419 3.662 . 0 0 "[ . 1 . 2]" 1 135 1 11 MET QB 1 18 VAL H . . 5.200 4.132 2.815 4.612 . 0 0 "[ . 1 . 2]" 1 136 1 11 MET QB 1 18 VAL MG2 . . 7.400 5.150 3.993 5.536 . 0 0 "[ . 1 . 2]" 1 137 1 11 MET QB 1 65 TYR QE . . 10.130 4.045 3.671 4.573 . 0 0 "[ . 1 . 2]" 1 138 1 11 MET ME 1 12 GLU H . . 7.600 6.074 5.594 6.285 . 0 0 "[ . 1 . 2]" 1 139 1 11 MET ME 1 13 ALA H . . 8.000 5.362 4.861 5.794 . 0 0 "[ . 1 . 2]" 1 140 1 11 MET ME 1 17 PRO HA . . 7.600 6.096 5.752 6.411 . 0 0 "[ . 1 . 2]" 1 141 1 11 MET ME 1 18 VAL MG2 . . 7.200 4.497 3.959 5.003 . 0 0 "[ . 1 . 2]" 1 142 1 11 MET ME 1 46 CYS QB . . 8.000 3.485 3.268 3.686 . 0 0 "[ . 1 . 2]" 1 143 1 11 MET ME 1 69 MET HB2 . . 7.600 5.495 5.173 5.991 . 0 0 "[ . 1 . 2]" 1 144 1 11 MET ME 1 69 MET ME . . 4.200 2.805 2.388 2.941 . 0 0 "[ . 1 . 2]" 1 145 1 11 MET QG 1 12 GLU H . . 6.400 4.397 4.281 4.552 . 0 0 "[ . 1 . 2]" 1 146 1 11 MET QG 1 13 ALA H . . 7.400 4.358 3.720 5.559 . 0 0 "[ . 1 . 2]" 1 147 1 11 MET QG 1 17 PRO HA . . 6.200 4.370 3.798 5.696 . 0 0 "[ . 1 . 2]" 1 148 1 11 MET QG 1 18 VAL H . . 6.200 2.949 2.399 4.358 . 0 0 "[ . 1 . 2]" 1 149 1 11 MET QG 1 18 VAL HB . . 6.500 2.997 2.456 4.471 . 0 0 "[ . 1 . 2]" 1 150 1 11 MET QG 1 18 VAL MG2 . . 8.300 4.117 3.631 5.473 . 0 0 "[ . 1 . 2]" 1 151 1 12 GLU H 1 12 GLU HB2 . . 3.700 2.846 2.707 3.326 . 0 0 "[ . 1 . 2]" 1 152 1 12 GLU H 1 12 GLU HB3 . . 3.600 2.614 2.538 2.652 . 0 0 "[ . 1 . 2]" 1 153 1 12 GLU H 1 13 ALA H . . 3.500 3.511 3.230 3.605 0.105 11 0 "[ . 1 . 2]" 1 154 1 12 GLU H 1 14 THR H . . 5.300 5.186 5.012 5.252 . 0 0 "[ . 1 . 2]" 1 155 1 12 GLU HA 1 12 GLU HG3 . . 3.500 3.489 3.414 3.521 0.021 3 0 "[ . 1 . 2]" 1 156 1 12 GLU HA 1 13 ALA H . . 2.800 2.515 2.491 2.558 . 0 0 "[ . 1 . 2]" 1 157 1 12 GLU HB2 1 12 GLU HG2 . . 2.600 2.702 2.662 2.829 0.229 13 0 "[ . 1 . 2]" 1 158 1 12 GLU HB2 1 12 GLU HG3 . . 3.000 2.313 2.267 2.331 . 0 0 "[ . 1 . 2]" 1 159 1 12 GLU HB2 1 13 ALA H . . 5.100 4.722 4.697 4.727 . 0 0 "[ . 1 . 2]" 1 160 1 12 GLU HB2 1 14 THR H . . 5.900 5.398 5.299 5.548 . 0 0 "[ . 1 . 2]" 1 161 1 12 GLU HB3 1 13 ALA H . . 4.500 4.516 4.499 4.579 0.079 13 0 "[ . 1 . 2]" 1 162 1 12 GLU HB3 1 14 THR H . . 5.700 5.278 5.068 5.706 0.006 13 0 "[ . 1 . 2]" 1 163 1 12 GLU HB3 1 18 VAL H . . 6.200 6.200 5.899 6.337 0.137 12 0 "[ . 1 . 2]" 1 164 1 12 GLU HG2 1 13 ALA H . . 4.400 4.248 4.026 4.318 . 0 0 "[ . 1 . 2]" 1 165 1 12 GLU HG2 1 14 THR H . . 4.600 3.810 3.622 4.046 . 0 0 "[ . 1 . 2]" 1 166 1 12 GLU HG3 1 13 ALA H . . 5.600 5.635 5.444 5.687 0.087 8 0 "[ . 1 . 2]" 1 167 1 13 ALA H 1 13 ALA MB . . 3.100 2.206 2.072 2.333 . 0 0 "[ . 1 . 2]" 1 168 1 13 ALA H 1 14 THR H . . 2.700 2.133 1.980 2.299 . 0 0 "[ . 1 . 2]" 1 169 1 13 ALA H 1 14 THR HA . . 5.400 4.808 4.671 4.953 . 0 0 "[ . 1 . 2]" 1 170 1 13 ALA H 1 14 THR HG1 . . 4.300 3.673 3.357 4.101 . 0 0 "[ . 1 . 2]" 1 171 1 13 ALA H 1 14 THR MG . . 4.800 3.330 3.026 3.798 . 0 0 "[ . 1 . 2]" 1 172 1 13 ALA H 1 17 PRO HB3 . . 7.000 4.691 4.267 5.028 . 0 0 "[ . 1 . 2]" 1 173 1 13 ALA H 1 17 PRO QG . . 7.800 6.137 5.714 6.452 . 0 0 "[ . 1 . 2]" 1 174 1 13 ALA H 1 55 MET ME . . 7.700 5.787 5.357 6.057 . 0 0 "[ . 1 . 2]" 1 175 1 13 ALA HA 1 14 THR H . . 3.500 3.436 3.398 3.488 . 0 0 "[ . 1 . 2]" 1 176 1 13 ALA HA 1 14 THR MG . . 5.400 4.065 3.985 4.137 . 0 0 "[ . 1 . 2]" 1 177 1 13 ALA MB 1 14 THR H . . 3.900 3.171 3.050 3.270 . 0 0 "[ . 1 . 2]" 1 178 1 13 ALA MB 1 14 THR HA . . 5.600 4.217 4.146 4.278 . 0 0 "[ . 1 . 2]" 1 179 1 13 ALA MB 1 14 THR HB . . 7.100 4.977 4.866 5.087 . 0 0 "[ . 1 . 2]" 1 180 1 13 ALA MB 1 14 THR MG . . 4.300 2.441 2.305 2.599 . 0 0 "[ . 1 . 2]" 1 181 1 13 ALA MB 1 55 MET HA . . 7.400 5.894 5.672 6.043 . 0 0 "[ . 1 . 2]" 1 182 1 13 ALA MB 1 65 TYR QD . . 6.940 3.608 3.434 3.738 . 0 0 "[ . 1 . 2]" 1 183 1 14 THR H 1 14 THR HG1 . . 3.000 2.108 1.957 2.363 . 0 0 "[ . 1 . 2]" 1 184 1 14 THR H 1 14 THR MG . . 3.700 2.557 2.380 2.906 . 0 0 "[ . 1 . 2]" 1 185 1 14 THR H 1 15 LYS H . . 6.400 4.424 4.415 4.434 . 0 0 "[ . 1 . 2]" 1 186 1 14 THR H 1 16 GLN H . . 5.100 3.859 3.781 3.937 . 0 0 "[ . 1 . 2]" 1 187 1 14 THR H 1 16 GLN HG2 . . 6.600 6.600 6.518 6.644 0.044 12 0 "[ . 1 . 2]" 1 188 1 14 THR H 1 17 PRO HB3 . . 6.600 4.774 4.476 5.064 . 0 0 "[ . 1 . 2]" 1 189 1 14 THR H 1 17 PRO QD . . 8.000 5.120 4.921 5.279 . 0 0 "[ . 1 . 2]" 1 190 1 14 THR H 1 17 PRO QG . . 6.800 5.679 5.371 5.946 . 0 0 "[ . 1 . 2]" 1 191 1 14 THR H 1 55 MET ME . . 7.400 5.591 5.252 5.828 . 0 0 "[ . 1 . 2]" 1 192 1 14 THR HA 1 14 THR MG . . 3.200 2.593 2.435 2.668 . 0 0 "[ . 1 . 2]" 1 193 1 14 THR HA 1 15 LYS H . . 2.900 2.601 2.580 2.645 . 0 0 "[ . 1 . 2]" 1 194 1 14 THR HA 1 15 LYS HB2 . . 5.800 4.532 4.485 4.578 . 0 0 "[ . 1 . 2]" 1 195 1 14 THR HA 1 15 LYS HB3 . . 5.100 5.147 5.132 5.162 0.062 18 0 "[ . 1 . 2]" 1 196 1 14 THR HA 1 15 LYS QD . . 8.000 6.308 5.883 6.751 . 0 0 "[ . 1 . 2]" 1 197 1 14 THR HA 1 15 LYS QG . . 6.600 5.804 5.726 5.888 . 0 0 "[ . 1 . 2]" 1 198 1 14 THR HA 1 16 GLN H . . 4.100 3.957 3.927 4.007 . 0 0 "[ . 1 . 2]" 1 199 1 14 THR HA 1 16 GLN HB2 . . 7.000 6.337 6.300 6.376 . 0 0 "[ . 1 . 2]" 1 200 1 14 THR HA 1 55 MET ME . . 5.900 4.717 4.612 4.777 . 0 0 "[ . 1 . 2]" 1 201 1 14 THR HB 1 15 LYS H . . 3.100 2.400 2.278 2.470 . 0 0 "[ . 1 . 2]" 1 202 1 14 THR HB 1 15 LYS HA . . 5.200 4.951 4.799 5.034 . 0 0 "[ . 1 . 2]" 1 203 1 14 THR HB 1 15 LYS HB2 . . 6.000 4.702 4.589 4.775 . 0 0 "[ . 1 . 2]" 1 204 1 14 THR HB 1 15 LYS HB3 . . 6.300 4.523 4.319 4.628 . 0 0 "[ . 1 . 2]" 1 205 1 14 THR HB 1 15 LYS QG . . 7.600 5.941 5.778 6.016 . 0 0 "[ . 1 . 2]" 1 206 1 14 THR HB 1 16 GLN H . . 4.300 3.059 2.792 3.264 . 0 0 "[ . 1 . 2]" 1 207 1 14 THR HB 1 16 GLN HB2 . . 5.700 4.634 4.356 4.840 . 0 0 "[ . 1 . 2]" 1 208 1 14 THR HB 1 16 GLN HB3 . . 7.000 6.237 5.955 6.446 . 0 0 "[ . 1 . 2]" 1 209 1 14 THR HB 1 16 GLN HG3 . . 6.500 5.182 4.841 5.417 . 0 0 "[ . 1 . 2]" 1 210 1 14 THR HB 1 55 MET ME . . 7.200 5.285 5.084 5.493 . 0 0 "[ . 1 . 2]" 1 211 1 14 THR HG1 1 16 GLN H . . 3.300 2.373 1.946 2.649 . 0 0 "[ . 1 . 2]" 1 212 1 14 THR MG 1 15 LYS H . . 4.700 3.928 3.788 3.994 . 0 0 "[ . 1 . 2]" 1 213 1 14 THR MG 1 16 GLN H . . 5.700 3.966 3.860 4.097 . 0 0 "[ . 1 . 2]" 1 214 1 14 THR MG 1 18 VAL MG2 . . 9.000 5.218 4.876 5.554 . 0 0 "[ . 1 . 2]" 1 215 1 15 LYS H 1 15 LYS HB2 . . 3.100 2.384 2.367 2.430 . 0 0 "[ . 1 . 2]" 1 216 1 15 LYS H 1 15 LYS QD . . 6.000 4.303 4.152 4.562 . 0 0 "[ . 1 . 2]" 1 217 1 15 LYS H 1 15 LYS QG . . 4.800 3.933 3.911 3.958 . 0 0 "[ . 1 . 2]" 1 218 1 15 LYS H 1 16 GLN H . . 3.700 2.610 2.567 2.622 . 0 0 "[ . 1 . 2]" 1 219 1 15 LYS H 1 17 PRO QD . . 8.000 5.388 5.156 5.535 . 0 0 "[ . 1 . 2]" 1 220 1 15 LYS HA 1 15 LYS HB2 . . 2.900 2.519 2.508 2.529 . 0 0 "[ . 1 . 2]" 1 221 1 15 LYS HA 1 15 LYS QG . . 3.800 2.263 2.199 2.378 . 0 0 "[ . 1 . 2]" 1 222 1 15 LYS HB2 1 16 GLN H . . 4.500 4.255 4.216 4.318 . 0 0 "[ . 1 . 2]" 1 223 1 15 LYS HB3 1 16 GLN H . . 5.600 3.467 3.371 3.618 . 0 0 "[ . 1 . 2]" 1 224 1 15 LYS HB3 1 16 GLN HB3 . . 5.600 5.680 5.661 5.705 0.105 17 0 "[ . 1 . 2]" 1 225 1 15 LYS QG 1 16 GLN H . . 7.700 4.366 4.297 4.571 . 0 0 "[ . 1 . 2]" 1 226 1 16 GLN H 1 16 GLN HB2 . . 3.900 2.756 2.698 2.843 . 0 0 "[ . 1 . 2]" 1 227 1 16 GLN H 1 16 GLN HG2 . . 4.400 2.746 2.671 2.822 . 0 0 "[ . 1 . 2]" 1 228 1 16 GLN H 1 16 GLN HG3 . . 4.000 3.613 3.416 3.768 . 0 0 "[ . 1 . 2]" 1 229 1 16 GLN H 1 17 PRO HA . . 5.400 4.637 4.496 4.718 . 0 0 "[ . 1 . 2]" 1 230 1 16 GLN H 1 17 PRO QD . . 4.800 3.624 3.414 3.732 . 0 0 "[ . 1 . 2]" 1 231 1 16 GLN H 1 17 PRO QG . . 7.100 5.344 5.119 5.457 . 0 0 "[ . 1 . 2]" 1 232 1 16 GLN HA 1 16 GLN HB3 . . 3.000 2.438 2.407 2.447 . 0 0 "[ . 1 . 2]" 1 233 1 16 GLN HA 1 16 GLN HG2 . . 2.800 2.738 2.669 2.773 . 0 0 "[ . 1 . 2]" 1 234 1 16 GLN HB2 1 16 GLN HE21 . . 3.400 3.147 2.842 3.511 0.111 5 0 "[ . 1 . 2]" 1 235 1 16 GLN HB2 1 16 GLN HE22 . . 4.600 4.575 4.356 4.691 0.091 5 0 "[ . 1 . 2]" 1 236 1 16 GLN HB2 1 106 HIS HE1 . . 3.100 2.654 2.422 2.827 . 0 0 "[ . 1 . 2]" 1 237 1 16 GLN HB3 1 16 GLN HE21 . . 3.900 2.225 2.084 2.284 . 0 0 "[ . 1 . 2]" 1 238 1 16 GLN HB3 1 16 GLN HE22 . . 4.000 3.313 3.223 3.344 . 0 0 "[ . 1 . 2]" 1 239 1 16 GLN HB3 1 17 PRO QD . . 5.900 3.624 3.515 3.778 . 0 0 "[ . 1 . 2]" 1 240 1 16 GLN HB3 1 18 VAL MG2 . . 5.400 4.078 3.986 4.219 . 0 0 "[ . 1 . 2]" 1 241 1 16 GLN HB3 1 106 HIS HA . . 7.000 5.147 4.940 5.265 . 0 0 "[ . 1 . 2]" 1 242 1 16 GLN HB3 1 106 HIS HD1 . . 3.400 2.815 2.565 3.004 . 0 0 "[ . 1 . 2]" 1 243 1 16 GLN HB3 1 106 HIS HE1 . . 3.200 2.661 2.447 2.895 . 0 0 "[ . 1 . 2]" 1 244 1 16 GLN HE21 1 106 HIS HD1 . . 5.000 3.601 3.416 4.002 . 0 0 "[ . 1 . 2]" 1 245 1 16 GLN HE22 1 106 HIS HD1 . . 5.700 4.293 4.158 4.663 . 0 0 "[ . 1 . 2]" 1 246 1 16 GLN HE22 1 106 HIS HE1 . . 5.300 5.202 5.043 5.327 0.027 5 0 "[ . 1 . 2]" 1 247 1 16 GLN HG3 1 17 PRO QD . . 7.900 5.248 5.221 5.294 . 0 0 "[ . 1 . 2]" 1 248 1 17 PRO HA 1 18 VAL HA . . 5.000 4.390 4.357 4.458 . 0 0 "[ . 1 . 2]" 1 249 1 17 PRO HA 1 18 VAL MG2 . . 4.600 3.463 3.298 3.579 . 0 0 "[ . 1 . 2]" 1 250 1 17 PRO HA 1 19 VAL MG2 . . 8.000 5.755 5.637 5.971 . 0 0 "[ . 1 . 2]" 1 251 1 17 PRO HA 1 106 HIS HE1 . . 6.000 5.106 4.827 5.399 . 0 0 "[ . 1 . 2]" 1 252 1 17 PRO HB2 1 18 VAL H . . 3.400 2.820 2.489 3.019 . 0 0 "[ . 1 . 2]" 1 253 1 17 PRO HB2 1 18 VAL MG2 . . 7.400 4.658 4.507 4.744 . 0 0 "[ . 1 . 2]" 1 254 1 17 PRO QD 1 18 VAL MG2 . . 9.000 4.547 4.476 4.614 . 0 0 "[ . 1 . 2]" 1 255 1 18 VAL H 1 18 VAL HB . . 3.100 2.756 2.673 2.881 . 0 0 "[ . 1 . 2]" 1 256 1 18 VAL H 1 18 VAL MG2 . . 3.900 3.180 3.136 3.231 . 0 0 "[ . 1 . 2]" 1 257 1 18 VAL H 1 19 VAL H . . 5.100 4.368 4.294 4.407 . 0 0 "[ . 1 . 2]" 1 258 1 18 VAL H 1 19 VAL MG2 . . 8.000 4.087 3.968 4.149 . 0 0 "[ . 1 . 2]" 1 259 1 18 VAL HA 1 18 VAL MG1 . . 3.500 2.449 2.381 2.532 . 0 0 "[ . 1 . 2]" 1 260 1 18 VAL HA 1 18 VAL MG2 . . 3.100 2.235 2.201 2.296 . 0 0 "[ . 1 . 2]" 1 261 1 18 VAL HA 1 19 VAL H . . 2.500 2.343 2.296 2.382 . 0 0 "[ . 1 . 2]" 1 262 1 18 VAL HA 1 19 VAL MG2 . . 4.900 3.621 3.505 3.719 . 0 0 "[ . 1 . 2]" 1 263 1 18 VAL HA 1 106 HIS HE1 . . 5.300 5.228 5.052 5.316 0.016 12 0 "[ . 1 . 2]" 1 264 1 18 VAL HB 1 19 VAL H . . 4.100 3.984 3.900 4.085 . 0 0 "[ . 1 . 2]" 1 265 1 18 VAL MG1 1 19 VAL H . . 3.700 2.055 1.920 2.303 . 0 0 "[ . 1 . 2]" 1 266 1 18 VAL MG1 1 20 PHE H . . 5.100 3.872 3.642 4.102 . 0 0 "[ . 1 . 2]" 1 267 1 18 VAL MG1 1 20 PHE QD . . 8.640 4.173 3.926 4.385 . 0 0 "[ . 1 . 2]" 1 268 1 18 VAL MG1 1 105 CYS H . . 7.100 4.859 4.603 5.187 . 0 0 "[ . 1 . 2]" 1 269 1 18 VAL MG1 1 105 CYS HA . . 4.000 2.513 2.173 2.778 . 0 0 "[ . 1 . 2]" 1 270 1 18 VAL MG1 1 106 HIS H . . 7.100 4.880 4.607 5.211 . 0 0 "[ . 1 . 2]" 1 271 1 18 VAL MG1 1 106 HIS HD1 . . 6.100 4.954 4.750 5.031 . 0 0 "[ . 1 . 2]" 1 272 1 18 VAL MG2 1 19 VAL H . . 4.600 3.819 3.687 3.858 . 0 0 "[ . 1 . 2]" 1 273 1 18 VAL MG2 1 19 VAL MG2 . . 9.000 5.014 4.970 5.054 . 0 0 "[ . 1 . 2]" 1 274 1 18 VAL MG2 1 70 HIS HE1 . . 8.000 5.084 4.895 5.294 . 0 0 "[ . 1 . 2]" 1 275 1 18 VAL MG2 1 105 CYS H . . 7.900 5.445 5.257 5.581 . 0 0 "[ . 1 . 2]" 1 276 1 18 VAL MG2 1 105 CYS HA . . 4.900 3.773 3.570 3.944 . 0 0 "[ . 1 . 2]" 1 277 1 18 VAL MG2 1 105 CYS HB2 . . 4.900 3.926 3.804 3.996 . 0 0 "[ . 1 . 2]" 1 278 1 18 VAL MG2 1 105 CYS HB3 . . 3.900 2.623 2.530 2.814 . 0 0 "[ . 1 . 2]" 1 279 1 18 VAL MG2 1 106 HIS H . . 6.800 4.464 4.250 4.602 . 0 0 "[ . 1 . 2]" 1 280 1 18 VAL MG2 1 106 HIS HA . . 5.300 3.648 3.234 3.944 . 0 0 "[ . 1 . 2]" 1 281 1 18 VAL MG2 1 106 HIS HD1 . . 3.800 2.826 2.617 2.996 . 0 0 "[ . 1 . 2]" 1 282 1 18 VAL MG2 1 106 HIS HD2 . . 6.300 4.671 4.440 4.914 . 0 0 "[ . 1 . 2]" 1 283 1 18 VAL MG2 1 106 HIS HE1 . . 3.100 2.484 2.406 2.567 . 0 0 "[ . 1 . 2]" 1 284 1 18 VAL MG2 1 107 GLU H . . 8.000 5.340 4.973 5.721 . 0 0 "[ . 1 . 2]" 1 285 1 19 VAL H 1 19 VAL HB . . 2.500 2.443 2.389 2.506 0.006 8 0 "[ . 1 . 2]" 1 286 1 19 VAL H 1 19 VAL MG1 . . 4.600 3.722 3.704 3.737 . 0 0 "[ . 1 . 2]" 1 287 1 19 VAL H 1 19 VAL MG2 . . 3.700 2.949 2.779 3.066 . 0 0 "[ . 1 . 2]" 1 288 1 19 VAL H 1 20 PHE H . . 4.900 4.264 4.194 4.349 . 0 0 "[ . 1 . 2]" 1 289 1 19 VAL MG1 1 20 PHE H . . 3.900 2.962 2.763 3.123 . 0 0 "[ . 1 . 2]" 1 290 1 19 VAL MG1 1 21 ASN H . . 7.400 4.923 4.429 5.158 . 0 0 "[ . 1 . 2]" 1 291 1 19 VAL MG1 1 21 ASN HD21 . . 5.600 3.911 3.307 4.660 . 0 0 "[ . 1 . 2]" 1 292 1 19 VAL MG1 1 21 ASN HD22 . . 4.600 2.894 2.328 3.638 . 0 0 "[ . 1 . 2]" 1 293 1 19 VAL MG2 1 20 PHE H . . 4.900 4.068 4.033 4.112 . 0 0 "[ . 1 . 2]" 1 294 1 19 VAL MG2 1 21 ASN HD22 . . 8.000 5.519 5.063 6.137 . 0 0 "[ . 1 . 2]" 1 295 1 20 PHE H 1 20 PHE HB2 . . 3.800 2.633 2.439 2.742 . 0 0 "[ . 1 . 2]" 1 296 1 20 PHE H 1 20 PHE HB3 . . 3.800 2.337 2.235 2.430 . 0 0 "[ . 1 . 2]" 1 297 1 20 PHE H 1 21 ASN H . . 6.900 4.547 4.510 4.580 . 0 0 "[ . 1 . 2]" 1 298 1 20 PHE HA 1 20 PHE HB2 . . 2.900 2.566 2.515 2.625 . 0 0 "[ . 1 . 2]" 1 299 1 20 PHE HA 1 21 ASN H . . 2.900 2.444 2.241 2.622 . 0 0 "[ . 1 . 2]" 1 300 1 20 PHE HB2 1 21 ASN H . . 5.700 3.992 3.839 4.272 . 0 0 "[ . 1 . 2]" 1 301 1 20 PHE QD 1 22 HIS HE1 . . 6.540 3.205 3.067 3.514 . 0 0 "[ . 1 . 2]" 1 302 1 20 PHE QE 1 25 HIS HB2 . . 7.830 3.761 3.382 4.030 . 0 0 "[ . 1 . 2]" 1 303 1 20 PHE QE 1 25 HIS HD1 . . 6.110 3.486 3.227 3.694 . 0 0 "[ . 1 . 2]" 1 304 1 20 PHE HE1 1 25 HIS HD1 . . 7.000 3.689 3.325 4.053 . 0 0 "[ . 1 . 2]" 1 305 1 20 PHE HE2 1 25 HIS HD1 . . 7.000 4.356 3.806 4.767 . 0 0 "[ . 1 . 2]" 1 306 1 20 PHE HZ 1 22 HIS HA . . 4.900 4.107 3.636 4.428 . 0 0 "[ . 1 . 2]" 1 307 1 20 PHE HZ 1 25 HIS HB2 . . 3.500 2.927 2.505 3.253 . 0 0 "[ . 1 . 2]" 1 308 1 20 PHE HZ 1 25 HIS HD1 . . 4.500 3.436 3.184 3.758 . 0 0 "[ . 1 . 2]" 1 309 1 20 PHE HZ 1 25 HIS HD2 . . 4.400 4.277 3.738 4.410 0.010 5 0 "[ . 1 . 2]" 1 310 1 21 ASN H 1 21 ASN HD21 . . 5.200 3.799 2.896 4.928 . 0 0 "[ . 1 . 2]" 1 311 1 21 ASN H 1 25 HIS HD1 . . 5.900 3.386 3.319 3.472 . 0 0 "[ . 1 . 2]" 1 312 1 21 ASN HB2 1 22 HIS H . . 5.900 4.139 3.876 4.496 . 0 0 "[ . 1 . 2]" 1 313 1 21 ASN HB2 1 24 THR H . . 4.000 3.381 3.058 3.564 . 0 0 "[ . 1 . 2]" 1 314 1 21 ASN HB2 1 24 THR MG . . 4.500 3.663 3.415 3.760 . 0 0 "[ . 1 . 2]" 1 315 1 21 ASN HB3 1 24 THR H . . 5.400 3.136 3.003 3.339 . 0 0 "[ . 1 . 2]" 1 316 1 21 ASN HB3 1 24 THR MG . . 5.500 4.618 4.595 4.638 . 0 0 "[ . 1 . 2]" 1 317 1 21 ASN HD21 1 24 THR HB . . 5.700 4.907 4.205 5.680 . 0 0 "[ . 1 . 2]" 1 318 1 21 ASN HD21 1 24 THR MG . . 8.000 5.333 4.549 6.391 . 0 0 "[ . 1 . 2]" 1 319 1 22 HIS H 1 22 HIS HB2 . . 4.100 2.235 2.173 2.279 . 0 0 "[ . 1 . 2]" 1 320 1 22 HIS H 1 22 HIS HB3 . . 3.800 3.490 3.458 3.510 . 0 0 "[ . 1 . 2]" 1 321 1 22 HIS H 1 22 HIS HD1 . . 4.400 3.101 2.668 3.348 . 0 0 "[ . 1 . 2]" 1 322 1 22 HIS H 1 25 HIS HD1 . . 7.000 5.053 4.971 5.210 . 0 0 "[ . 1 . 2]" 1 323 1 22 HIS HA 1 22 HIS HD2 . . 4.500 3.278 3.216 3.343 . 0 0 "[ . 1 . 2]" 1 324 1 22 HIS HA 1 25 HIS H . . 4.500 3.025 2.917 3.186 . 0 0 "[ . 1 . 2]" 1 325 1 22 HIS HA 1 25 HIS HB3 . . 5.000 4.902 4.774 5.008 0.008 16 0 "[ . 1 . 2]" 1 326 1 22 HIS HA 1 25 HIS HD1 . . 3.900 3.491 3.358 3.745 . 0 0 "[ . 1 . 2]" 1 327 1 22 HIS HB2 1 22 HIS HD2 . . 4.000 3.929 3.913 3.944 . 0 0 "[ . 1 . 2]" 1 328 1 22 HIS HB2 1 23 SER H . . 5.800 3.319 3.181 3.579 . 0 0 "[ . 1 . 2]" 1 329 1 22 HIS HB2 1 25 HIS H . . 6.000 5.595 5.458 5.784 . 0 0 "[ . 1 . 2]" 1 330 1 22 HIS HB3 1 22 HIS HD2 . . 3.400 2.848 2.825 2.871 . 0 0 "[ . 1 . 2]" 1 331 1 22 HIS HB3 1 23 SER H . . 6.100 3.901 3.761 4.073 . 0 0 "[ . 1 . 2]" 1 332 1 22 HIS HD2 1 25 HIS HB3 . . 6.100 5.746 5.577 5.890 . 0 0 "[ . 1 . 2]" 1 333 1 22 HIS HD2 1 30 CYS HA . . 5.200 5.221 5.186 5.256 0.056 16 0 "[ . 1 . 2]" 1 334 1 23 SER H 1 24 THR H . . 6.800 2.532 2.311 2.602 . 0 0 "[ . 1 . 2]" 1 335 1 23 SER HA 1 25 HIS H . . 4.600 4.371 4.274 4.488 . 0 0 "[ . 1 . 2]" 1 336 1 23 SER HA 1 25 HIS HD1 . . 7.000 6.382 6.308 6.447 . 0 0 "[ . 1 . 2]" 1 337 1 23 SER HA 1 26 LYS H . . 4.600 4.255 4.216 4.302 . 0 0 "[ . 1 . 2]" 1 338 1 23 SER HA 1 26 LYS HD2 . . 3.400 2.114 1.992 3.171 . 0 0 "[ . 1 . 2]" 1 339 1 23 SER QB 1 26 LYS HG3 . . 5.780 4.114 3.879 4.353 . 0 0 "[ . 1 . 2]" 1 340 1 24 THR H 1 24 THR HB . . 2.800 2.374 2.331 2.398 . 0 0 "[ . 1 . 2]" 1 341 1 24 THR H 1 24 THR MG . . 4.600 3.746 3.722 3.760 . 0 0 "[ . 1 . 2]" 1 342 1 24 THR H 1 25 HIS HD1 . . 4.100 3.323 3.254 3.356 . 0 0 "[ . 1 . 2]" 1 343 1 24 THR HA 1 24 THR MG . . 3.500 2.445 2.351 2.527 . 0 0 "[ . 1 . 2]" 1 344 1 24 THR HA 1 25 HIS HD1 . . 5.600 4.907 4.801 4.986 . 0 0 "[ . 1 . 2]" 1 345 1 24 THR HA 1 26 LYS H . . 4.800 3.633 3.592 3.682 . 0 0 "[ . 1 . 2]" 1 346 1 24 THR HB 1 25 HIS H . . 3.500 2.929 2.838 3.002 . 0 0 "[ . 1 . 2]" 1 347 1 24 THR HB 1 25 HIS HB2 . . 4.900 4.763 4.726 4.804 . 0 0 "[ . 1 . 2]" 1 348 1 24 THR HB 1 25 HIS HD1 . . 3.200 2.556 2.493 2.635 . 0 0 "[ . 1 . 2]" 1 349 1 24 THR HB 1 25 HIS HE1 . . 3.500 3.532 3.509 3.548 0.048 3 0 "[ . 1 . 2]" 1 350 1 24 THR HB 1 26 LYS H . . 7.000 5.107 5.016 5.168 . 0 0 "[ . 1 . 2]" 1 351 1 24 THR MG 1 25 HIS H . . 5.100 3.732 3.633 3.817 . 0 0 "[ . 1 . 2]" 1 352 1 24 THR MG 1 25 HIS HA . . 5.000 3.830 3.709 3.958 . 0 0 "[ . 1 . 2]" 1 353 1 24 THR MG 1 25 HIS HD1 . . 4.800 3.434 3.218 3.554 . 0 0 "[ . 1 . 2]" 1 354 1 24 THR MG 1 25 HIS HD2 . . 6.800 4.844 4.647 4.947 . 0 0 "[ . 1 . 2]" 1 355 1 24 THR MG 1 25 HIS HE1 . . 4.300 3.244 2.973 3.427 . 0 0 "[ . 1 . 2]" 1 356 1 24 THR MG 1 26 LYS H . . 7.100 4.607 4.561 4.684 . 0 0 "[ . 1 . 2]" 1 357 1 25 HIS H 1 25 HIS HB2 . . 3.000 2.492 2.481 2.509 . 0 0 "[ . 1 . 2]" 1 358 1 25 HIS H 1 25 HIS HB3 . . 3.500 3.647 3.633 3.660 0.160 13 0 "[ . 1 . 2]" 1 359 1 25 HIS H 1 25 HIS HD1 . . 3.100 2.424 2.346 2.493 . 0 0 "[ . 1 . 2]" 1 360 1 25 HIS H 1 25 HIS HE1 . . 5.000 4.811 4.711 4.877 . 0 0 "[ . 1 . 2]" 1 361 1 25 HIS H 1 26 LYS H . . 2.900 2.919 2.890 2.934 0.034 18 0 "[ . 1 . 2]" 1 362 1 25 HIS H 1 26 LYS HA . . 4.800 4.516 4.479 4.558 . 0 0 "[ . 1 . 2]" 1 363 1 25 HIS H 1 26 LYS HB2 . . 6.700 5.297 5.270 5.325 . 0 0 "[ . 1 . 2]" 1 364 1 25 HIS H 1 26 LYS QB . . 6.440 4.953 4.931 4.984 . 0 0 "[ . 1 . 2]" 1 365 1 25 HIS H 1 26 LYS HB3 . . 6.700 5.954 5.923 6.001 . 0 0 "[ . 1 . 2]" 1 366 1 25 HIS H 1 26 LYS HG2 . . 5.400 4.441 4.355 4.647 . 0 0 "[ . 1 . 2]" 1 367 1 25 HIS H 1 26 LYS HG3 . . 5.400 3.433 3.339 3.500 . 0 0 "[ . 1 . 2]" 1 368 1 25 HIS HA 1 25 HIS HB2 . . 3.000 3.032 3.030 3.032 0.032 18 0 "[ . 1 . 2]" 1 369 1 25 HIS HA 1 25 HIS HB3 . . 2.700 2.471 2.457 2.480 . 0 0 "[ . 1 . 2]" 1 370 1 25 HIS HA 1 25 HIS HD1 . . 5.000 3.911 3.844 3.969 . 0 0 "[ . 1 . 2]" 1 371 1 25 HIS HA 1 26 LYS H . . 3.300 2.894 2.868 2.919 . 0 0 "[ . 1 . 2]" 1 372 1 25 HIS HA 1 28 VAL MG2 . . 3.700 2.104 1.981 2.362 . 0 0 "[ . 1 . 2]" 1 373 1 25 HIS HB2 1 25 HIS HD1 . . 3.300 2.725 2.700 2.754 . 0 0 "[ . 1 . 2]" 1 374 1 25 HIS HB2 1 26 LYS H . . 5.300 4.273 4.245 4.298 . 0 0 "[ . 1 . 2]" 1 375 1 25 HIS HB2 1 26 LYS HA . . 7.000 4.788 4.756 4.806 . 0 0 "[ . 1 . 2]" 1 376 1 25 HIS HB2 1 28 VAL H . . 7.000 4.640 4.582 4.723 . 0 0 "[ . 1 . 2]" 1 377 1 25 HIS HB2 1 28 VAL HB . . 4.100 3.494 3.443 3.591 . 0 0 "[ . 1 . 2]" 1 378 1 25 HIS HB3 1 25 HIS HD1 . . 3.800 3.819 3.811 3.827 0.027 15 0 "[ . 1 . 2]" 1 379 1 25 HIS HB3 1 25 HIS HD2 . . 3.500 2.760 2.747 2.772 . 0 0 "[ . 1 . 2]" 1 380 1 25 HIS HB3 1 26 LYS H . . 5.700 4.556 4.550 4.566 . 0 0 "[ . 1 . 2]" 1 381 1 25 HIS HB3 1 28 VAL H . . 4.700 3.618 3.565 3.697 . 0 0 "[ . 1 . 2]" 1 382 1 25 HIS HB3 1 28 VAL MG2 . . 4.500 2.303 2.103 2.492 . 0 0 "[ . 1 . 2]" 1 383 1 25 HIS HD1 1 26 LYS H . . 5.400 5.189 5.134 5.256 . 0 0 "[ . 1 . 2]" 1 384 1 25 HIS HD1 1 26 LYS HG3 . . 6.600 5.827 5.780 5.927 . 0 0 "[ . 1 . 2]" 1 385 1 25 HIS HD2 1 28 VAL H . . 6.600 5.489 5.435 5.586 . 0 0 "[ . 1 . 2]" 1 386 1 25 HIS HD2 1 28 VAL HB . . 4.800 3.930 3.893 4.007 . 0 0 "[ . 1 . 2]" 1 387 1 25 HIS HD2 1 28 VAL MG2 . . 3.700 2.430 2.226 2.595 . 0 0 "[ . 1 . 2]" 1 388 1 26 LYS H 1 26 LYS HA . . 2.800 2.821 2.811 2.828 0.028 20 0 "[ . 1 . 2]" 1 389 1 26 LYS H 1 26 LYS QB . . 3.590 2.476 2.465 2.485 . 0 0 "[ . 1 . 2]" 1 390 1 26 LYS H 1 26 LYS HD3 . . 4.300 4.017 3.646 4.272 . 0 0 "[ . 1 . 2]" 1 391 1 26 LYS H 1 26 LYS HG2 . . 3.800 3.226 3.186 3.390 . 0 0 "[ . 1 . 2]" 1 392 1 26 LYS H 1 26 LYS HG3 . . 3.000 1.987 1.974 2.005 . 0 0 "[ . 1 . 2]" 1 393 1 26 LYS H 1 28 VAL H . . 6.500 3.733 3.706 3.762 . 0 0 "[ . 1 . 2]" 1 394 1 26 LYS HA 1 26 LYS QB . . 2.690 2.340 2.334 2.346 . 0 0 "[ . 1 . 2]" 1 395 1 26 LYS HA 1 26 LYS HG3 . . 3.100 3.077 2.918 3.109 0.009 7 0 "[ . 1 . 2]" 1 396 1 27 SER HA 1 27 SER HB2 . . 2.800 2.510 2.358 2.884 0.084 6 0 "[ . 1 . 2]" 1 397 1 27 SER HA 1 27 SER HB3 . . 2.800 2.556 2.377 2.882 0.082 18 0 "[ . 1 . 2]" 1 398 1 28 VAL H 1 28 VAL HB . . 2.600 2.480 2.449 2.515 . 0 0 "[ . 1 . 2]" 1 399 1 28 VAL H 1 28 VAL MG2 . . 3.100 2.248 2.058 2.409 . 0 0 "[ . 1 . 2]" 1 400 1 28 VAL H 1 29 LYS H . . 4.700 4.592 4.569 4.602 . 0 0 "[ . 1 . 2]" 1 401 1 28 VAL HA 1 28 VAL MG1 . . 3.400 2.349 2.241 2.417 . 0 0 "[ . 1 . 2]" 1 402 1 28 VAL HA 1 28 VAL MG2 . . 3.100 2.426 2.353 2.503 . 0 0 "[ . 1 . 2]" 1 403 1 28 VAL HA 1 29 LYS H . . 2.200 2.266 2.252 2.281 0.081 9 0 "[ . 1 . 2]" 1 404 1 28 VAL HB 1 29 LYS H . . 4.100 4.002 3.945 4.057 . 0 0 "[ . 1 . 2]" 1 405 1 28 VAL HB 1 30 CYS HA . . 6.900 5.424 5.329 5.513 . 0 0 "[ . 1 . 2]" 1 406 1 28 VAL MG1 1 29 LYS H . . 3.500 2.292 2.095 2.478 . 0 0 "[ . 1 . 2]" 1 407 1 28 VAL MG1 1 33 CYS H . . 6.400 4.062 3.951 4.163 . 0 0 "[ . 1 . 2]" 1 408 1 28 VAL MG1 1 34 HIS H . . 8.000 5.695 5.609 5.754 . 0 0 "[ . 1 . 2]" 1 409 1 28 VAL MG2 1 29 LYS H . . 4.800 4.095 4.070 4.127 . 0 0 "[ . 1 . 2]" 1 410 1 29 LYS H 1 29 LYS HB2 . . 3.000 2.045 2.028 2.056 . 0 0 "[ . 1 . 2]" 1 411 1 29 LYS H 1 29 LYS HB3 . . 3.200 3.191 3.122 3.242 0.042 8 0 "[ . 1 . 2]" 1 412 1 29 LYS H 1 29 LYS QG . . 4.400 3.573 3.349 3.857 . 0 0 "[ . 1 . 2]" 1 413 1 29 LYS H 1 30 CYS H . . 5.000 4.621 4.602 4.635 . 0 0 "[ . 1 . 2]" 1 414 1 29 LYS H 1 32 ASP H . . 5.000 4.223 4.170 4.281 . 0 0 "[ . 1 . 2]" 1 415 1 29 LYS H 1 32 ASP HB2 . . 4.800 2.755 2.694 2.802 . 0 0 "[ . 1 . 2]" 1 416 1 29 LYS HA 1 29 LYS HB2 . . 3.000 2.862 2.826 2.888 . 0 0 "[ . 1 . 2]" 1 417 1 29 LYS HA 1 29 LYS HB3 . . 2.900 2.857 2.828 2.891 . 0 0 "[ . 1 . 2]" 1 418 1 29 LYS HA 1 30 CYS H . . 2.500 2.249 2.218 2.291 . 0 0 "[ . 1 . 2]" 1 419 1 29 LYS HA 1 30 CYS HA . . 4.800 4.281 4.272 4.289 . 0 0 "[ . 1 . 2]" 1 420 1 29 LYS HB2 1 30 CYS H . . 4.800 4.431 4.356 4.486 . 0 0 "[ . 1 . 2]" 1 421 1 29 LYS HB2 1 32 ASP H . . 4.600 3.957 3.841 4.066 . 0 0 "[ . 1 . 2]" 1 422 1 29 LYS HB3 1 30 CYS H . . 3.900 3.460 3.309 3.574 . 0 0 "[ . 1 . 2]" 1 423 1 29 LYS HB3 1 30 CYS HA . . 7.000 4.926 4.851 4.990 . 0 0 "[ . 1 . 2]" 1 424 1 29 LYS HB3 1 32 ASP H . . 4.900 2.789 2.781 2.798 . 0 0 "[ . 1 . 2]" 1 425 1 29 LYS QD 1 30 CYS H . . 8.000 4.553 3.759 5.109 . 0 0 "[ . 1 . 2]" 1 426 1 29 LYS QG 1 30 CYS H . . 8.000 3.010 2.792 3.490 . 0 0 "[ . 1 . 2]" 1 427 1 30 CYS H 1 31 GLY HA3 . . 5.300 4.861 4.796 4.936 . 0 0 "[ . 1 . 2]" 1 428 1 30 CYS H 1 33 CYS H . . 7.000 5.413 5.347 5.494 . 0 0 "[ . 1 . 2]" 1 429 1 30 CYS H 1 34 HIS HD2 . . 7.000 5.610 5.565 5.649 . 0 0 "[ . 1 . 2]" 1 430 1 30 CYS HA 1 32 ASP H . . 6.000 3.535 3.510 3.562 . 0 0 "[ . 1 . 2]" 1 431 1 30 CYS HA 1 33 CYS HB2 . . 5.800 3.975 3.895 4.087 . 0 0 "[ . 1 . 2]" 1 432 1 30 CYS HA 1 33 CYS HB3 . . 6.000 5.498 5.390 5.610 . 0 0 "[ . 1 . 2]" 1 433 1 30 CYS HA 1 34 HIS HD2 . . 3.800 3.043 2.968 3.086 . 0 0 "[ . 1 . 2]" 1 434 1 30 CYS QB 1 34 HIS HD2 . . 5.000 2.887 2.841 2.972 . 0 0 "[ . 1 . 2]" 1 435 1 31 GLY H 1 31 GLY HA2 . . 2.900 2.874 2.851 2.889 . 0 0 "[ . 1 . 2]" 1 436 1 31 GLY H 1 31 GLY HA3 . . 2.700 2.270 2.258 2.281 . 0 0 "[ . 1 . 2]" 1 437 1 31 GLY H 1 32 ASP H . . 3.400 2.571 2.535 2.637 . 0 0 "[ . 1 . 2]" 1 438 1 31 GLY H 1 33 CYS H . . 5.100 4.390 4.292 4.446 . 0 0 "[ . 1 . 2]" 1 439 1 31 GLY H 1 34 HIS H . . 5.000 4.989 4.942 5.023 0.023 2 0 "[ . 1 . 2]" 1 440 1 31 GLY HA3 1 34 HIS H . . 5.600 5.190 5.101 5.251 . 0 0 "[ . 1 . 2]" 1 441 1 32 ASP H 1 32 ASP HB2 . . 3.000 2.445 2.377 2.501 . 0 0 "[ . 1 . 2]" 1 442 1 32 ASP H 1 32 ASP HB3 . . 2.600 2.541 2.494 2.603 0.003 11 0 "[ . 1 . 2]" 1 443 1 32 ASP H 1 33 CYS H . . 2.600 2.341 2.282 2.383 . 0 0 "[ . 1 . 2]" 1 444 1 32 ASP H 1 33 CYS HA . . 6.200 4.977 4.928 5.010 . 0 0 "[ . 1 . 2]" 1 445 1 32 ASP H 1 34 HIS H . . 3.900 3.926 3.913 3.942 0.042 11 0 "[ . 1 . 2]" 1 446 1 32 ASP H 1 34 HIS HD2 . . 7.000 5.374 5.283 5.457 . 0 0 "[ . 1 . 2]" 1 447 1 32 ASP HA 1 32 ASP HB2 . . 2.500 2.558 2.533 2.588 0.088 11 0 "[ . 1 . 2]" 1 448 1 32 ASP HA 1 34 HIS H . . 5.400 5.352 5.320 5.376 . 0 0 "[ . 1 . 2]" 1 449 1 32 ASP HB2 1 33 CYS H . . 4.000 3.865 3.797 3.984 . 0 0 "[ . 1 . 2]" 1 450 1 32 ASP HB2 1 33 CYS HA . . 6.400 5.623 5.594 5.673 . 0 0 "[ . 1 . 2]" 1 451 1 32 ASP HB3 1 33 CYS H . . 3.500 2.780 2.702 2.958 . 0 0 "[ . 1 . 2]" 1 452 1 33 CYS H 1 33 CYS HB2 . . 3.200 2.331 2.313 2.391 . 0 0 "[ . 1 . 2]" 1 453 1 33 CYS H 1 33 CYS HB3 . . 3.500 3.507 3.490 3.523 0.023 14 0 "[ . 1 . 2]" 1 454 1 33 CYS H 1 34 HIS HB2 . . 4.800 4.324 4.254 4.349 . 0 0 "[ . 1 . 2]" 1 455 1 33 CYS H 1 34 HIS HD2 . . 4.500 4.179 4.126 4.241 . 0 0 "[ . 1 . 2]" 1 456 1 33 CYS H 1 35 HIS H . . 7.000 4.487 4.282 4.949 . 0 0 "[ . 1 . 2]" 1 457 1 33 CYS HA 1 34 HIS HD2 . . 7.000 5.873 5.826 5.914 . 0 0 "[ . 1 . 2]" 1 458 1 33 CYS HA 1 35 HIS HB3 . . 5.700 4.761 4.715 4.816 . 0 0 "[ . 1 . 2]" 1 459 1 33 CYS HB2 1 34 HIS H . . 3.100 2.654 2.625 2.686 . 0 0 "[ . 1 . 2]" 1 460 1 33 CYS HB2 1 34 HIS HD2 . . 5.400 3.505 3.428 3.560 . 0 0 "[ . 1 . 2]" 1 461 1 33 CYS HB3 1 34 HIS HD2 . . 4.100 4.120 4.103 4.139 0.039 14 0 "[ . 1 . 2]" 1 462 1 34 HIS H 1 34 HIS HB2 . . 3.100 2.426 2.419 2.434 . 0 0 "[ . 1 . 2]" 1 463 1 34 HIS H 1 34 HIS HB3 . . 3.800 3.563 3.559 3.569 . 0 0 "[ . 1 . 2]" 1 464 1 34 HIS H 1 34 HIS HD1 . . 5.100 4.596 4.575 4.620 . 0 0 "[ . 1 . 2]" 1 465 1 34 HIS H 1 34 HIS HD2 . . 3.300 2.759 2.711 2.789 . 0 0 "[ . 1 . 2]" 1 466 1 34 HIS H 1 35 HIS H . . 4.800 3.630 3.540 3.891 . 0 0 "[ . 1 . 2]" 1 467 1 34 HIS HA 1 34 HIS HD1 . . 3.400 2.965 2.936 3.002 . 0 0 "[ . 1 . 2]" 1 468 1 34 HIS HA 1 34 HIS HE1 . . 6.200 4.976 4.964 4.987 . 0 0 "[ . 1 . 2]" 1 469 1 34 HIS HA 1 35 HIS HB3 . . 5.500 4.963 4.848 5.003 . 0 0 "[ . 1 . 2]" 1 470 1 34 HIS HA 1 35 HIS HD2 . . 5.100 4.688 4.503 4.840 . 0 0 "[ . 1 . 2]" 1 471 1 34 HIS HA 1 44 ARG H . . 6.300 5.071 4.616 5.286 . 0 0 "[ . 1 . 2]" 1 472 1 34 HIS HB2 1 43 TYR HA . . 4.500 4.268 3.911 4.456 . 0 0 "[ . 1 . 2]" 1 473 1 34 HIS HB3 1 43 TYR QE . . 6.930 4.686 3.995 5.213 . 0 0 "[ . 1 . 2]" 1 474 1 34 HIS HD1 1 43 TYR H . . 7.000 5.447 4.215 5.927 . 0 0 "[ . 1 . 2]" 1 475 1 34 HIS HD1 1 43 TYR HA . . 3.700 2.925 2.549 3.205 . 0 0 "[ . 1 . 2]" 1 476 1 34 HIS HD1 1 43 TYR QB . . 5.800 4.655 4.347 4.839 . 0 0 "[ . 1 . 2]" 1 477 1 34 HIS HD1 1 44 ARG H . . 3.500 2.414 2.018 2.594 . 0 0 "[ . 1 . 2]" 1 478 1 34 HIS HD2 1 43 TYR QE . . 6.530 4.508 3.963 5.167 . 0 0 "[ . 1 . 2]" 1 479 1 34 HIS HE1 1 43 TYR HA . . 4.900 3.652 3.261 3.873 . 0 0 "[ . 1 . 2]" 1 480 1 34 HIS HE1 1 44 ARG H . . 4.800 3.511 2.742 3.711 . 0 0 "[ . 1 . 2]" 1 481 1 34 HIS HE1 1 44 ARG HA . . 6.900 4.771 4.562 4.931 . 0 0 "[ . 1 . 2]" 1 482 1 34 HIS HE1 1 45 LYS HA . . 4.900 4.097 3.946 4.318 . 0 0 "[ . 1 . 2]" 1 483 1 34 HIS HE1 1 46 CYS H . . 6.800 4.930 4.838 5.039 . 0 0 "[ . 1 . 2]" 1 484 1 35 HIS H 1 35 HIS HB2 . . 4.000 3.539 3.533 3.547 . 0 0 "[ . 1 . 2]" 1 485 1 35 HIS H 1 35 HIS HB3 . . 3.200 2.384 2.363 2.435 . 0 0 "[ . 1 . 2]" 1 486 1 35 HIS H 1 35 HIS HD2 . . 3.400 2.964 2.735 3.092 . 0 0 "[ . 1 . 2]" 1 487 1 35 HIS HA 1 35 HIS HB2 . . 3.000 2.421 2.397 2.439 . 0 0 "[ . 1 . 2]" 1 488 1 35 HIS HA 1 35 HIS HD2 . . 5.300 4.746 4.700 4.775 . 0 0 "[ . 1 . 2]" 1 489 1 35 HIS HA 1 36 PRO HD2 . . 2.600 2.646 2.636 2.657 0.057 8 0 "[ . 1 . 2]" 1 490 1 35 HIS HA 1 76 PHE HZ . . 6.900 5.818 5.613 6.045 . 0 0 "[ . 1 . 2]" 1 491 1 35 HIS HB2 1 35 HIS HD1 . . 3.600 2.763 2.694 2.814 . 0 0 "[ . 1 . 2]" 1 492 1 35 HIS HB2 1 35 HIS HE1 . . 5.100 4.872 4.844 4.894 . 0 0 "[ . 1 . 2]" 1 493 1 35 HIS HB2 1 36 PRO HD2 . . 3.100 2.238 2.216 2.262 . 0 0 "[ . 1 . 2]" 1 494 1 35 HIS HB2 1 36 PRO HD3 . . 3.200 3.209 3.184 3.243 0.043 11 0 "[ . 1 . 2]" 1 495 1 35 HIS HB2 1 36 PRO QG . . 7.600 4.177 4.160 4.194 . 0 0 "[ . 1 . 2]" 1 496 1 35 HIS HB2 1 76 PHE QD . . 6.440 3.194 2.933 3.414 . 0 0 "[ . 1 . 2]" 1 497 1 35 HIS HB2 1 76 PHE QE . . 6.730 2.767 2.475 3.051 . 0 0 "[ . 1 . 2]" 1 498 1 35 HIS HB2 1 76 PHE HZ . . 5.100 3.594 3.404 3.829 . 0 0 "[ . 1 . 2]" 1 499 1 35 HIS HB3 1 35 HIS HD2 . . 3.700 2.746 2.730 2.776 . 0 0 "[ . 1 . 2]" 1 500 1 35 HIS HB3 1 36 PRO HD2 . . 3.700 3.680 3.656 3.734 0.034 16 0 "[ . 1 . 2]" 1 501 1 35 HIS HB3 1 36 PRO HD3 . . 4.000 4.015 3.994 4.065 0.065 16 0 "[ . 1 . 2]" 1 502 1 35 HIS HB3 1 76 PHE HB2 . . 4.600 4.557 4.403 4.646 0.046 16 0 "[ . 1 . 2]" 1 503 1 35 HIS HB3 1 76 PHE QD . . 6.440 3.219 2.959 3.481 . 0 0 "[ . 1 . 2]" 1 504 1 35 HIS HB3 1 76 PHE QE . . 7.030 3.940 3.713 4.186 . 0 0 "[ . 1 . 2]" 1 505 1 35 HIS HB3 1 76 PHE HZ . . 6.600 5.048 4.889 5.250 . 0 0 "[ . 1 . 2]" 1 506 1 35 HIS HD1 1 36 PRO HD2 . . 5.400 3.737 3.584 3.888 . 0 0 "[ . 1 . 2]" 1 507 1 35 HIS HD1 1 36 PRO HD3 . . 5.800 4.776 4.735 4.832 . 0 0 "[ . 1 . 2]" 1 508 1 35 HIS HD1 1 37 VAL HA . . 4.400 3.405 3.040 3.825 . 0 0 "[ . 1 . 2]" 1 509 1 35 HIS HD1 1 37 VAL MG1 . . 5.600 4.483 4.239 4.671 . 0 0 "[ . 1 . 2]" 1 510 1 35 HIS HD1 1 37 VAL MG2 . . 3.600 2.084 1.865 2.441 . 0 0 "[ . 1 . 2]" 1 511 1 35 HIS HD1 1 76 PHE QD . . 7.740 4.897 4.663 5.071 . 0 0 "[ . 1 . 2]" 1 512 1 35 HIS HD1 1 76 PHE QE . . 6.330 3.903 3.617 4.142 . 0 0 "[ . 1 . 2]" 1 513 1 35 HIS HD1 1 76 PHE HZ . . 4.800 3.824 3.389 4.148 . 0 0 "[ . 1 . 2]" 1 514 1 35 HIS HD2 1 37 VAL MG2 . . 6.800 4.820 4.427 5.198 . 0 0 "[ . 1 . 2]" 1 515 1 35 HIS HD2 1 68 VAL MG1 . . 8.000 4.954 4.824 5.102 . 0 0 "[ . 1 . 2]" 1 516 1 35 HIS HD2 1 68 VAL MG2 . . 8.000 5.890 5.784 6.061 . 0 0 "[ . 1 . 2]" 1 517 1 35 HIS HD2 1 76 PHE HB2 . . 5.900 4.120 3.940 4.350 . 0 0 "[ . 1 . 2]" 1 518 1 35 HIS HD2 1 76 PHE HB3 . . 5.400 3.755 3.564 4.026 . 0 0 "[ . 1 . 2]" 1 519 1 35 HIS HD2 1 76 PHE QD . . 6.540 4.078 3.867 4.287 . 0 0 "[ . 1 . 2]" 1 520 1 35 HIS HD2 1 76 PHE QE . . 8.630 5.004 4.840 5.191 . 0 0 "[ . 1 . 2]" 1 521 1 35 HIS HD2 1 76 PHE HZ . . 7.000 6.142 5.997 6.364 . 0 0 "[ . 1 . 2]" 1 522 1 35 HIS HE1 1 37 VAL H . . 6.500 5.306 4.822 5.702 . 0 0 "[ . 1 . 2]" 1 523 1 35 HIS HE1 1 37 VAL HA . . 4.800 4.128 3.476 4.714 . 0 0 "[ . 1 . 2]" 1 524 1 35 HIS HE1 1 37 VAL MG2 . . 3.000 1.885 1.782 2.178 . 0 0 "[ . 1 . 2]" 1 525 1 35 HIS HE1 1 76 PHE HZ . . 6.200 5.279 4.834 5.537 . 0 0 "[ . 1 . 2]" 1 526 1 36 PRO HA 1 37 VAL H . . 2.700 2.161 2.149 2.187 . 0 0 "[ . 1 . 2]" 1 527 1 36 PRO HA 1 42 ASP H . . 6.100 4.728 3.714 6.158 0.058 7 0 "[ . 1 . 2]" 1 528 1 36 PRO QB 1 40 LYS HA . . 7.380 4.565 3.737 6.031 . 0 0 "[ . 1 . 2]" 1 529 1 36 PRO QB 1 41 GLU HA . . 5.580 3.836 3.146 4.903 . 0 0 "[ . 1 . 2]" 1 530 1 36 PRO QB 1 76 PHE HZ . . 7.880 5.726 5.522 5.994 . 0 0 "[ . 1 . 2]" 1 531 1 36 PRO HD2 1 76 PHE HZ . . 5.400 3.932 3.712 4.172 . 0 0 "[ . 1 . 2]" 1 532 1 36 PRO HD3 1 37 VAL MG2 . . 8.000 5.653 5.292 5.987 . 0 0 "[ . 1 . 2]" 1 533 1 36 PRO HD3 1 41 GLU QG . . 4.300 3.699 3.240 3.918 . 0 0 "[ . 1 . 2]" 1 534 1 36 PRO HD3 1 76 PHE HZ . . 6.200 5.668 5.452 5.908 . 0 0 "[ . 1 . 2]" 1 535 1 36 PRO QG 1 76 PHE HZ . . 6.900 4.690 4.480 4.905 . 0 0 "[ . 1 . 2]" 1 536 1 37 VAL H 1 37 VAL MG2 . . 4.400 2.731 2.400 2.970 . 0 0 "[ . 1 . 2]" 1 537 1 37 VAL H 1 40 LYS QB . . 8.000 4.811 3.050 5.538 . 0 0 "[ . 1 . 2]" 1 538 1 37 VAL H 1 41 GLU HA . . 6.800 3.880 3.741 4.095 . 0 0 "[ . 1 . 2]" 1 539 1 37 VAL HA 1 37 VAL MG1 . . 3.200 2.474 2.350 2.555 . 0 0 "[ . 1 . 2]" 1 540 1 37 VAL HA 1 37 VAL MG2 . . 3.200 2.292 2.155 2.419 . 0 0 "[ . 1 . 2]" 1 541 1 37 VAL HA 1 76 PHE HZ . . 7.000 5.036 4.726 5.476 . 0 0 "[ . 1 . 2]" 1 542 1 37 VAL MG1 1 38 ASN HA . . 7.100 3.832 3.184 4.538 . 0 0 "[ . 1 . 2]" 1 543 1 37 VAL MG1 1 38 ASN HB2 . . 4.000 2.771 2.464 3.091 . 0 0 "[ . 1 . 2]" 1 544 1 37 VAL MG2 1 38 ASN HA . . 8.000 5.692 5.406 5.975 . 0 0 "[ . 1 . 2]" 1 545 1 37 VAL MG2 1 38 ASN HB2 . . 7.500 5.090 4.995 5.151 . 0 0 "[ . 1 . 2]" 1 546 1 37 VAL MG2 1 40 LYS QB . . 9.000 6.047 3.269 6.692 . 0 0 "[ . 1 . 2]" 1 547 1 37 VAL MG2 1 51 CYS HA . . 7.500 5.483 5.099 5.809 . 0 0 "[ . 1 . 2]" 1 548 1 37 VAL MG2 1 51 CYS HB3 . . 8.000 4.897 4.383 5.197 . 0 0 "[ . 1 . 2]" 1 549 1 37 VAL MG2 1 76 PHE HZ . . 8.000 4.872 4.370 5.322 . 0 0 "[ . 1 . 2]" 1 550 1 38 ASN HA 1 38 ASN HB3 . . 2.900 2.955 2.709 3.035 0.135 8 0 "[ . 1 . 2]" 1 551 1 41 GLU HA 1 42 ASP H . . 2.600 2.306 2.203 2.567 . 0 0 "[ . 1 . 2]" 1 552 1 41 GLU QB 1 43 TYR QE . . 7.730 4.272 2.469 5.481 . 0 0 "[ . 1 . 2]" 1 553 1 41 GLU QG 1 42 ASP H . . 7.700 3.672 2.914 4.399 . 0 0 "[ . 1 . 2]" 1 554 1 41 GLU QG 1 43 TYR H . . 8.000 6.393 3.876 7.140 . 0 0 "[ . 1 . 2]" 1 555 1 42 ASP HA 1 43 TYR H . . 3.100 2.529 2.268 2.788 . 0 0 "[ . 1 . 2]" 1 556 1 42 ASP HA 1 43 TYR QD . . 7.040 3.968 3.666 4.352 . 0 0 "[ . 1 . 2]" 1 557 1 42 ASP HA 1 43 TYR QE . . 9.130 4.698 4.340 5.197 . 0 0 "[ . 1 . 2]" 1 558 1 42 ASP HB2 1 43 TYR H . . 5.000 3.731 2.686 4.543 . 0 0 "[ . 1 . 2]" 1 559 1 42 ASP HB3 1 43 TYR H . . 5.000 3.628 2.740 4.724 . 0 0 "[ . 1 . 2]" 1 560 1 43 TYR HA 1 44 ARG H . . 2.800 2.299 2.195 2.432 . 0 0 "[ . 1 . 2]" 1 561 1 44 ARG H 1 44 ARG HG2 . . 4.700 4.612 2.575 4.810 0.110 14 0 "[ . 1 . 2]" 1 562 1 44 ARG H 1 45 LYS H . . 6.000 4.445 4.373 4.472 . 0 0 "[ . 1 . 2]" 1 563 1 44 ARG HA 1 44 ARG HG2 . . 3.800 2.764 2.502 3.562 . 0 0 "[ . 1 . 2]" 1 564 1 44 ARG HA 1 45 LYS H . . 2.800 2.616 2.345 2.713 . 0 0 "[ . 1 . 2]" 1 565 1 44 ARG HA 1 45 LYS HG2 . . 6.000 5.731 5.588 5.895 . 0 0 "[ . 1 . 2]" 1 566 1 44 ARG QB 1 45 LYS HA . . 6.510 4.328 4.205 4.911 . 0 0 "[ . 1 . 2]" 1 567 1 44 ARG HB2 1 45 LYS H . . 4.100 3.822 2.186 4.141 0.041 13 0 "[ . 1 . 2]" 1 568 1 44 ARG HB2 1 45 LYS HA . . 7.000 5.630 4.708 6.038 . 0 0 "[ . 1 . 2]" 1 569 1 44 ARG HB3 1 45 LYS H . . 4.100 2.707 2.392 3.962 . 0 0 "[ . 1 . 2]" 1 570 1 44 ARG HB3 1 45 LYS HA . . 7.000 4.546 4.350 5.848 . 0 0 "[ . 1 . 2]" 1 571 1 44 ARG QD 1 45 LYS H . . 7.400 4.167 3.944 4.874 . 0 0 "[ . 1 . 2]" 1 572 1 44 ARG HG2 1 45 LYS H . . 4.400 2.534 2.436 3.558 . 0 0 "[ . 1 . 2]" 1 573 1 44 ARG HG2 1 45 LYS HA . . 5.700 5.178 4.279 5.328 . 0 0 "[ . 1 . 2]" 1 574 1 44 ARG HG2 1 45 LYS HG3 . . 6.200 5.491 5.207 5.901 . 0 0 "[ . 1 . 2]" 1 575 1 44 ARG HG2 1 46 CYS HA . . 7.000 6.705 4.243 7.063 0.063 14 0 "[ . 1 . 2]" 1 576 1 45 LYS H 1 45 LYS HB2 . . 3.600 2.367 2.279 2.450 . 0 0 "[ . 1 . 2]" 1 577 1 45 LYS HA 1 45 LYS HG2 . . 3.800 3.435 3.306 3.529 . 0 0 "[ . 1 . 2]" 1 578 1 45 LYS HA 1 47 GLY H . . 5.000 4.164 4.021 4.383 . 0 0 "[ . 1 . 2]" 1 579 1 45 LYS HB3 1 47 GLY H . . 3.800 3.152 3.029 3.278 . 0 0 "[ . 1 . 2]" 1 580 1 45 LYS HB3 1 48 THR H . . 5.100 4.728 4.550 4.896 . 0 0 "[ . 1 . 2]" 1 581 1 45 LYS QD 1 48 THR HA . . 6.600 5.147 4.621 5.589 . 0 0 "[ . 1 . 2]" 1 582 1 45 LYS HG3 1 47 GLY H . . 5.500 5.485 5.401 5.534 0.034 16 0 "[ . 1 . 2]" 1 583 1 46 CYS H 1 47 GLY H . . 5.000 2.738 2.703 2.779 . 0 0 "[ . 1 . 2]" 1 584 1 46 CYS H 1 48 THR H . . 6.000 4.843 4.778 4.904 . 0 0 "[ . 1 . 2]" 1 585 1 46 CYS H 1 52 HIS HD2 . . 5.700 5.521 5.466 5.572 . 0 0 "[ . 1 . 2]" 1 586 1 46 CYS HA 1 47 GLY HA2 . . 5.400 4.761 4.746 4.780 . 0 0 "[ . 1 . 2]" 1 587 1 46 CYS HA 1 48 THR H . . 4.700 3.747 3.708 3.783 . 0 0 "[ . 1 . 2]" 1 588 1 46 CYS HA 1 48 THR HB . . 5.500 4.229 4.117 4.331 . 0 0 "[ . 1 . 2]" 1 589 1 46 CYS HA 1 51 CYS HB2 . . 4.400 4.456 4.428 4.488 0.088 10 0 "[ . 1 . 2]" 1 590 1 46 CYS HA 1 51 CYS HB3 . . 7.000 4.310 4.246 4.347 . 0 0 "[ . 1 . 2]" 1 591 1 46 CYS HA 1 52 HIS H . . 6.900 4.634 4.404 4.736 . 0 0 "[ . 1 . 2]" 1 592 1 46 CYS HA 1 52 HIS HB2 . . 5.800 4.224 4.121 4.294 . 0 0 "[ . 1 . 2]" 1 593 1 46 CYS HA 1 52 HIS HD2 . . 3.700 3.010 2.906 3.122 . 0 0 "[ . 1 . 2]" 1 594 1 46 CYS HA 1 68 VAL MG2 . . 7.500 5.509 5.339 5.677 . 0 0 "[ . 1 . 2]" 1 595 1 46 CYS HA 1 69 MET ME . . 6.300 4.710 4.538 4.871 . 0 0 "[ . 1 . 2]" 1 596 1 46 CYS QB 1 52 HIS HD2 . . 4.700 2.732 2.613 2.810 . 0 0 "[ . 1 . 2]" 1 597 1 46 CYS QB 1 68 VAL MG2 . . 7.700 3.619 3.494 3.738 . 0 0 "[ . 1 . 2]" 1 598 1 46 CYS QB 1 69 MET ME . . 5.300 2.412 2.266 2.573 . 0 0 "[ . 1 . 2]" 1 599 1 47 GLY H 1 47 GLY HA3 . . 2.800 2.269 2.257 2.280 . 0 0 "[ . 1 . 2]" 1 600 1 47 GLY H 1 48 THR H . . 3.500 3.509 3.417 3.594 0.094 14 0 "[ . 1 . 2]" 1 601 1 47 GLY H 1 48 THR HA . . 6.700 5.055 4.963 5.165 . 0 0 "[ . 1 . 2]" 1 602 1 47 GLY H 1 52 HIS H . . 7.000 5.428 5.344 5.482 . 0 0 "[ . 1 . 2]" 1 603 1 47 GLY H 1 52 HIS HD2 . . 5.600 5.410 5.347 5.447 . 0 0 "[ . 1 . 2]" 1 604 1 47 GLY H 1 69 MET ME . . 8.000 4.501 4.160 4.735 . 0 0 "[ . 1 . 2]" 1 605 1 47 GLY HA2 1 52 HIS H . . 3.800 3.578 3.496 3.757 . 0 0 "[ . 1 . 2]" 1 606 1 47 GLY HA2 1 52 HIS HD2 . . 5.000 5.028 5.010 5.043 0.043 14 0 "[ . 1 . 2]" 1 607 1 47 GLY HA3 1 52 HIS H . . 5.800 5.240 5.156 5.418 . 0 0 "[ . 1 . 2]" 1 608 1 48 THR H 1 48 THR MG . . 4.300 3.582 3.527 3.621 . 0 0 "[ . 1 . 2]" 1 609 1 48 THR H 1 49 ALA H . . 6.100 4.539 4.524 4.567 . 0 0 "[ . 1 . 2]" 1 610 1 48 THR H 1 51 CYS HB2 . . 4.200 2.568 2.437 2.643 . 0 0 "[ . 1 . 2]" 1 611 1 48 THR H 1 52 HIS H . . 5.300 2.882 2.838 2.976 . 0 0 "[ . 1 . 2]" 1 612 1 48 THR HA 1 48 THR MG . . 3.200 2.628 2.554 2.710 . 0 0 "[ . 1 . 2]" 1 613 1 48 THR HA 1 49 ALA H . . 2.800 2.186 2.176 2.224 . 0 0 "[ . 1 . 2]" 1 614 1 48 THR HB 1 51 CYS HB2 . . 3.400 2.577 2.385 2.862 . 0 0 "[ . 1 . 2]" 1 615 1 48 THR MG 1 49 ALA H . . 3.800 2.634 2.364 2.814 . 0 0 "[ . 1 . 2]" 1 616 1 48 THR MG 1 50 GLY H . . 8.000 4.353 4.212 4.612 . 0 0 "[ . 1 . 2]" 1 617 1 48 THR MG 1 51 CYS H . . 5.300 3.269 3.027 3.492 . 0 0 "[ . 1 . 2]" 1 618 1 49 ALA H 1 49 ALA MB . . 3.200 2.016 1.932 2.160 . 0 0 "[ . 1 . 2]" 1 619 1 49 ALA H 1 50 GLY H . . 5.700 4.420 4.353 4.557 . 0 0 "[ . 1 . 2]" 1 620 1 49 ALA HA 1 50 GLY H . . 2.400 2.202 2.190 2.221 . 0 0 "[ . 1 . 2]" 1 621 1 49 ALA HA 1 50 GLY QA . . 5.680 3.906 3.900 3.929 . 0 0 "[ . 1 . 2]" 1 622 1 49 ALA HA 1 51 CYS H . . 3.500 3.530 3.514 3.548 0.048 1 0 "[ . 1 . 2]" 1 623 1 49 ALA HA 1 53 ASP HB2 . . 3.100 2.715 2.407 3.142 0.042 15 0 "[ . 1 . 2]" 1 624 1 49 ALA HA 1 53 ASP HB3 . . 3.200 3.087 2.217 3.241 0.041 7 0 "[ . 1 . 2]" 1 625 1 49 ALA MB 1 51 CYS H . . 6.200 4.570 4.426 4.624 . 0 0 "[ . 1 . 2]" 1 626 1 50 GLY H 1 51 CYS H . . 3.100 2.271 2.097 2.707 . 0 0 "[ . 1 . 2]" 1 627 1 50 GLY H 1 51 CYS HB2 . . 6.100 4.654 4.494 5.026 . 0 0 "[ . 1 . 2]" 1 628 1 50 GLY H 1 53 ASP HA . . 5.500 5.166 4.938 5.402 . 0 0 "[ . 1 . 2]" 1 629 1 50 GLY H 1 53 ASP HB2 . . 4.300 3.026 2.526 3.821 . 0 0 "[ . 1 . 2]" 1 630 1 50 GLY H 1 53 ASP HB3 . . 4.300 2.724 2.390 2.942 . 0 0 "[ . 1 . 2]" 1 631 1 51 CYS H 1 51 CYS HB2 . . 3.200 2.466 2.450 2.484 . 0 0 "[ . 1 . 2]" 1 632 1 51 CYS H 1 51 CYS HB3 . . 3.600 3.652 3.629 3.665 0.065 10 0 "[ . 1 . 2]" 1 633 1 51 CYS H 1 52 HIS H . . 3.900 3.069 2.942 3.421 . 0 0 "[ . 1 . 2]" 1 634 1 51 CYS H 1 52 HIS HA . . 7.000 4.848 4.773 5.084 . 0 0 "[ . 1 . 2]" 1 635 1 51 CYS H 1 53 ASP HB3 . . 5.200 4.103 3.548 4.579 . 0 0 "[ . 1 . 2]" 1 636 1 51 CYS HA 1 51 CYS HB3 . . 2.700 2.530 2.495 2.541 . 0 0 "[ . 1 . 2]" 1 637 1 51 CYS HA 1 52 HIS HD2 . . 7.000 5.416 5.344 5.443 . 0 0 "[ . 1 . 2]" 1 638 1 51 CYS HB2 1 52 HIS H . . 2.700 1.924 1.886 1.950 . 0 0 "[ . 1 . 2]" 1 639 1 51 CYS HB2 1 52 HIS HD2 . . 4.200 4.192 4.112 4.228 0.028 14 0 "[ . 1 . 2]" 1 640 1 52 HIS H 1 52 HIS HB3 . . 4.100 3.628 3.600 3.651 . 0 0 "[ . 1 . 2]" 1 641 1 52 HIS H 1 52 HIS HD1 . . 5.500 4.797 4.660 4.860 . 0 0 "[ . 1 . 2]" 1 642 1 52 HIS H 1 52 HIS HD2 . . 4.100 3.511 3.262 3.625 . 0 0 "[ . 1 . 2]" 1 643 1 52 HIS H 1 53 ASP H . . 4.700 3.652 3.450 3.877 . 0 0 "[ . 1 . 2]" 1 644 1 52 HIS H 1 53 ASP HA . . 7.000 4.905 4.757 5.072 . 0 0 "[ . 1 . 2]" 1 645 1 52 HIS H 1 68 VAL MG2 . . 8.000 5.512 5.416 5.575 . 0 0 "[ . 1 . 2]" 1 646 1 52 HIS HA 1 52 HIS HD1 . . 3.200 2.677 2.648 2.722 . 0 0 "[ . 1 . 2]" 1 647 1 52 HIS HA 1 53 ASP H . . 2.700 2.458 2.357 2.545 . 0 0 "[ . 1 . 2]" 1 648 1 52 HIS HA 1 63 LYS HA . . 3.200 2.843 2.591 3.108 . 0 0 "[ . 1 . 2]" 1 649 1 52 HIS HA 1 68 VAL MG1 . . 7.000 5.431 5.362 5.509 . 0 0 "[ . 1 . 2]" 1 650 1 52 HIS HA 1 68 VAL MG2 . . 7.000 4.605 4.568 4.650 . 0 0 "[ . 1 . 2]" 1 651 1 52 HIS HB2 1 52 HIS HD2 . . 3.500 2.735 2.731 2.741 . 0 0 "[ . 1 . 2]" 1 652 1 52 HIS HB2 1 68 VAL MG2 . . 4.600 3.705 3.647 3.741 . 0 0 "[ . 1 . 2]" 1 653 1 52 HIS HB3 1 65 TYR HA . . 3.500 2.117 2.036 2.362 . 0 0 "[ . 1 . 2]" 1 654 1 52 HIS HB3 1 68 VAL MG1 . . 7.200 4.628 4.542 4.690 . 0 0 "[ . 1 . 2]" 1 655 1 52 HIS HB3 1 68 VAL MG2 . . 4.300 3.026 2.974 3.061 . 0 0 "[ . 1 . 2]" 1 656 1 52 HIS HD1 1 53 ASP H . . 5.100 5.029 4.860 5.129 0.029 13 0 "[ . 1 . 2]" 1 657 1 52 HIS HD1 1 62 ALA HA . . 7.000 4.422 4.300 4.608 . 0 0 "[ . 1 . 2]" 1 658 1 52 HIS HD1 1 62 ALA MB . . 8.000 4.384 4.198 4.626 . 0 0 "[ . 1 . 2]" 1 659 1 52 HIS HD1 1 63 LYS H . . 5.000 4.566 4.278 4.809 . 0 0 "[ . 1 . 2]" 1 660 1 52 HIS HD1 1 63 LYS HA . . 3.100 2.625 2.250 2.983 . 0 0 "[ . 1 . 2]" 1 661 1 52 HIS HD1 1 63 LYS QB . . 7.200 4.505 4.136 4.838 . 0 0 "[ . 1 . 2]" 1 662 1 52 HIS HD1 1 64 GLY H . . 5.000 4.063 3.892 4.220 . 0 0 "[ . 1 . 2]" 1 663 1 52 HIS HD1 1 67 HIS HD2 . . 7.000 4.767 4.571 4.948 . 0 0 "[ . 1 . 2]" 1 664 1 52 HIS HD1 1 68 VAL HB . . 7.000 5.198 5.123 5.253 . 0 0 "[ . 1 . 2]" 1 665 1 52 HIS HD1 1 68 VAL MG1 . . 4.200 3.214 3.123 3.304 . 0 0 "[ . 1 . 2]" 1 666 1 52 HIS HD1 1 68 VAL MG2 . . 4.400 2.992 2.935 3.049 . 0 0 "[ . 1 . 2]" 1 667 1 52 HIS HD2 1 68 VAL HB . . 5.300 5.321 5.305 5.345 0.045 9 0 "[ . 1 . 2]" 1 668 1 52 HIS HD2 1 68 VAL MG1 . . 7.400 4.658 4.574 4.733 . 0 0 "[ . 1 . 2]" 1 669 1 52 HIS HD2 1 68 VAL MG2 . . 5.100 3.651 3.586 3.776 . 0 0 "[ . 1 . 2]" 1 670 1 52 HIS HD2 1 69 MET ME . . 6.800 4.563 4.269 4.684 . 0 0 "[ . 1 . 2]" 1 671 1 52 HIS HE1 1 67 HIS HD2 . . 5.600 4.660 4.451 4.803 . 0 0 "[ . 1 . 2]" 1 672 1 52 HIS HE1 1 68 VAL H . . 7.000 5.924 5.723 6.182 . 0 0 "[ . 1 . 2]" 1 673 1 52 HIS HE1 1 68 VAL HB . . 5.500 4.497 4.444 4.577 . 0 0 "[ . 1 . 2]" 1 674 1 52 HIS HE1 1 68 VAL MG1 . . 3.600 2.312 2.206 2.415 . 0 0 "[ . 1 . 2]" 1 675 1 52 HIS HE1 1 68 VAL MG2 . . 4.400 3.497 3.455 3.542 . 0 0 "[ . 1 . 2]" 1 676 1 53 ASP H 1 54 SER H . . 3.600 3.358 2.429 3.540 . 0 0 "[ . 1 . 2]" 1 677 1 53 ASP H 1 63 LYS HA . . 4.200 4.205 4.151 4.247 0.047 15 0 "[ . 1 . 2]" 1 678 1 53 ASP H 1 63 LYS QG . . 7.080 5.038 4.377 5.944 . 0 0 "[ . 1 . 2]" 1 679 1 53 ASP H 1 65 TYR H . . 5.600 5.147 4.752 5.526 . 0 0 "[ . 1 . 2]" 1 680 1 53 ASP HA 1 53 ASP HB2 . . 2.700 2.533 2.341 2.682 . 0 0 "[ . 1 . 2]" 1 681 1 53 ASP HA 1 53 ASP HB3 . . 2.900 2.958 2.509 3.029 0.129 7 0 "[ . 1 . 2]" 1 682 1 53 ASP HA 1 54 SER QB . . 6.980 4.579 4.393 4.909 . 0 0 "[ . 1 . 2]" 1 683 1 53 ASP HA 1 55 MET ME . . 3.800 2.441 2.177 2.933 . 0 0 "[ . 1 . 2]" 1 684 1 53 ASP HA 1 65 TYR QD . . 6.440 4.991 4.692 5.237 . 0 0 "[ . 1 . 2]" 1 685 1 54 SER H 1 65 TYR HB2 . . 6.200 3.485 3.466 3.516 . 0 0 "[ . 1 . 2]" 1 686 1 54 SER H 1 65 TYR HB3 . . 6.100 3.852 3.538 4.575 . 0 0 "[ . 1 . 2]" 1 687 1 55 MET HA 1 55 MET HB3 . . 2.900 2.840 2.791 2.914 0.014 14 0 "[ . 1 . 2]" 1 688 1 55 MET HA 1 55 MET ME . . 4.600 2.160 1.956 2.483 . 0 0 "[ . 1 . 2]" 1 689 1 55 MET HA 1 55 MET HG2 . . 4.000 3.480 3.426 3.540 . 0 0 "[ . 1 . 2]" 1 690 1 55 MET HA 1 55 MET HG3 . . 3.000 2.137 2.072 2.225 . 0 0 "[ . 1 . 2]" 1 691 1 55 MET HA 1 65 TYR HB3 . . 5.000 4.575 4.226 4.813 . 0 0 "[ . 1 . 2]" 1 692 1 55 MET HA 1 65 TYR QD . . 7.240 5.164 4.937 5.364 . 0 0 "[ . 1 . 2]" 1 693 1 55 MET HB3 1 55 MET HG2 . . 2.300 2.325 2.296 2.370 0.070 7 0 "[ . 1 . 2]" 1 694 1 55 MET HB3 1 55 MET HG3 . . 3.000 2.689 2.614 2.746 . 0 0 "[ . 1 . 2]" 1 695 1 55 MET ME 1 55 MET HG2 . . 4.000 3.277 3.227 3.323 . 0 0 "[ . 1 . 2]" 1 696 1 55 MET ME 1 65 TYR HB2 . . 4.300 3.519 3.297 3.634 . 0 0 "[ . 1 . 2]" 1 697 1 55 MET ME 1 65 TYR HB3 . . 5.000 3.273 3.085 3.513 . 0 0 "[ . 1 . 2]" 1 698 1 55 MET ME 1 65 TYR QD . . 6.340 3.543 3.215 3.820 . 0 0 "[ . 1 . 2]" 1 699 1 55 MET ME 1 65 TYR QE . . 7.730 4.643 4.335 4.955 . 0 0 "[ . 1 . 2]" 1 700 1 56 ASP HB2 1 59 ASP H . . 7.000 5.308 4.295 6.232 . 0 0 "[ . 1 . 2]" 1 701 1 56 ASP HB3 1 59 ASP H . . 6.900 4.255 3.799 4.802 . 0 0 "[ . 1 . 2]" 1 702 1 56 ASP HB3 1 59 ASP HA . . 5.600 4.473 3.646 5.043 . 0 0 "[ . 1 . 2]" 1 703 1 57 LYS HA 1 57 LYS HG2 . . 3.000 2.483 2.301 2.685 . 0 0 "[ . 1 . 2]" 1 704 1 57 LYS HA 1 66 TYR H . . 4.800 3.881 3.676 4.075 . 0 0 "[ . 1 . 2]" 1 705 1 57 LYS HA 1 66 TYR HB2 . . 3.800 3.777 3.686 3.820 0.020 5 0 "[ . 1 . 2]" 1 706 1 57 LYS HA 1 66 TYR HB3 . . 3.000 2.402 2.240 2.503 . 0 0 "[ . 1 . 2]" 1 707 1 57 LYS HA 1 66 TYR QD . . 6.240 2.937 2.639 3.248 . 0 0 "[ . 1 . 2]" 1 708 1 57 LYS HA 1 67 HIS H . . 5.200 5.108 4.803 5.217 0.017 6 0 "[ . 1 . 2]" 1 709 1 57 LYS QB 1 66 TYR HB3 . . 7.880 3.498 3.114 3.902 . 0 0 "[ . 1 . 2]" 1 710 1 57 LYS QB 1 66 TYR QD . . 7.120 3.911 3.384 4.343 . 0 0 "[ . 1 . 2]" 1 711 1 57 LYS HG2 1 66 TYR QD . . 7.440 2.814 2.492 3.516 . 0 0 "[ . 1 . 2]" 1 712 1 57 LYS HG3 1 66 TYR QD . . 7.340 3.452 2.850 3.931 . 0 0 "[ . 1 . 2]" 1 713 1 58 LYS QB 1 59 ASP H . . 6.600 4.068 4.008 4.117 . 0 0 "[ . 1 . 2]" 1 714 1 60 LYS HA 1 60 LYS QD . . 4.600 3.796 2.907 4.271 . 0 0 "[ . 1 . 2]" 1 715 1 60 LYS HA 1 61 SER HA . . 5.100 4.601 4.273 5.136 0.036 12 0 "[ . 1 . 2]" 1 716 1 60 LYS HA 1 64 GLY HA3 . . 3.700 3.422 2.742 3.722 0.022 20 0 "[ . 1 . 2]" 1 717 1 60 LYS HA 1 67 HIS HE1 . . 5.100 4.510 3.929 5.133 0.033 19 0 "[ . 1 . 2]" 1 718 1 60 LYS QB 1 67 HIS HE1 . . 5.750 3.264 2.953 5.013 . 0 0 "[ . 1 . 2]" 1 719 1 60 LYS HB2 1 67 HIS HE1 . . 6.200 4.522 3.002 6.154 . 0 0 "[ . 1 . 2]" 1 720 1 60 LYS HB3 1 67 HIS HE1 . . 6.200 3.717 2.985 5.367 . 0 0 "[ . 1 . 2]" 1 721 1 60 LYS QD 1 67 HIS HE1 . . 7.200 5.388 4.169 6.316 . 0 0 "[ . 1 . 2]" 1 722 1 61 SER HA 1 63 LYS H . . 6.000 5.181 4.298 5.525 . 0 0 "[ . 1 . 2]" 1 723 1 61 SER HA 1 67 HIS HD2 . . 6.400 5.576 4.427 6.037 . 0 0 "[ . 1 . 2]" 1 724 1 62 ALA HA 1 68 VAL MG1 . . 4.100 3.025 2.906 3.176 . 0 0 "[ . 1 . 2]" 1 725 1 62 ALA MB 1 63 LYS H . . 4.300 2.561 2.368 2.792 . 0 0 "[ . 1 . 2]" 1 726 1 62 ALA MB 1 64 GLY H . . 5.900 4.121 4.050 4.253 . 0 0 "[ . 1 . 2]" 1 727 1 62 ALA MB 1 67 HIS HD2 . . 5.300 4.403 4.244 4.476 . 0 0 "[ . 1 . 2]" 1 728 1 62 ALA MB 1 68 VAL MG1 . . 5.700 3.884 3.550 3.980 . 0 0 "[ . 1 . 2]" 1 729 1 62 ALA MB 1 74 THR HB . . 7.400 5.675 5.446 5.856 . 0 0 "[ . 1 . 2]" 1 730 1 63 LYS H 1 63 LYS HG2 . . 3.500 2.615 1.992 3.460 . 0 0 "[ . 1 . 2]" 1 731 1 63 LYS H 1 63 LYS HG3 . . 3.500 2.999 2.168 3.513 0.013 2 0 "[ . 1 . 2]" 1 732 1 63 LYS H 1 64 GLY H . . 3.600 2.581 2.563 2.612 . 0 0 "[ . 1 . 2]" 1 733 1 63 LYS H 1 67 HIS HD2 . . 7.000 5.306 5.280 5.450 . 0 0 "[ . 1 . 2]" 1 734 1 63 LYS H 1 68 VAL MG1 . . 8.000 5.276 5.066 5.424 . 0 0 "[ . 1 . 2]" 1 735 1 63 LYS HA 1 63 LYS QG . . 3.660 2.549 2.040 3.325 . 0 0 "[ . 1 . 2]" 1 736 1 63 LYS QB 1 64 GLY H . . 5.800 3.362 3.093 3.920 . 0 0 "[ . 1 . 2]" 1 737 1 63 LYS QG 1 64 GLY H . . 4.980 3.948 2.632 4.498 . 0 0 "[ . 1 . 2]" 1 738 1 64 GLY H 1 67 HIS H . . 5.800 4.880 4.730 5.039 . 0 0 "[ . 1 . 2]" 1 739 1 64 GLY H 1 67 HIS HD2 . . 5.100 3.820 3.594 3.965 . 0 0 "[ . 1 . 2]" 1 740 1 64 GLY H 1 68 VAL MG1 . . 5.900 4.321 4.099 4.531 . 0 0 "[ . 1 . 2]" 1 741 1 64 GLY HA2 1 65 TYR H . . 3.300 2.308 2.259 2.346 . 0 0 "[ . 1 . 2]" 1 742 1 64 GLY HA2 1 67 HIS HD2 . . 5.400 5.395 5.270 5.434 0.034 19 0 "[ . 1 . 2]" 1 743 1 64 GLY HA3 1 67 HIS H . . 5.500 3.283 3.178 3.357 . 0 0 "[ . 1 . 2]" 1 744 1 65 TYR H 1 65 TYR HB2 . . 3.200 2.404 2.323 2.471 . 0 0 "[ . 1 . 2]" 1 745 1 65 TYR H 1 65 TYR HB3 . . 3.600 2.256 2.186 2.336 . 0 0 "[ . 1 . 2]" 1 746 1 65 TYR H 1 66 TYR H . . 4.300 2.826 2.749 2.890 . 0 0 "[ . 1 . 2]" 1 747 1 65 TYR H 1 68 VAL MG2 . . 6.600 3.958 3.867 4.070 . 0 0 "[ . 1 . 2]" 1 748 1 65 TYR HA 1 65 TYR HB2 . . 2.800 2.482 2.458 2.519 . 0 0 "[ . 1 . 2]" 1 749 1 65 TYR HA 1 68 VAL MG1 . . 5.600 3.953 3.796 4.082 . 0 0 "[ . 1 . 2]" 1 750 1 65 TYR HA 1 68 VAL MG2 . . 3.500 2.038 1.955 2.176 . 0 0 "[ . 1 . 2]" 1 751 1 65 TYR HB2 1 68 VAL MG2 . . 6.500 4.050 3.921 4.211 . 0 0 "[ . 1 . 2]" 1 752 1 65 TYR HB3 1 66 TYR H . . 4.300 2.534 2.419 2.644 . 0 0 "[ . 1 . 2]" 1 753 1 65 TYR HB3 1 68 VAL MG2 . . 8.000 4.426 4.301 4.575 . 0 0 "[ . 1 . 2]" 1 754 1 65 TYR QE 1 66 TYR QD . . 11.270 5.721 5.553 5.980 . 0 0 "[ . 1 . 2]" 1 755 1 66 TYR H 1 66 TYR HB2 . . 3.400 2.757 2.691 2.852 . 0 0 "[ . 1 . 2]" 1 756 1 66 TYR H 1 67 HIS H . . 3.800 2.593 2.509 2.645 . 0 0 "[ . 1 . 2]" 1 757 1 66 TYR H 1 67 HIS QB . . 8.000 4.036 3.940 4.095 . 0 0 "[ . 1 . 2]" 1 758 1 66 TYR H 1 70 HIS HD1 . . 7.000 5.397 5.240 5.516 . 0 0 "[ . 1 . 2]" 1 759 1 66 TYR HA 1 69 MET HB2 . . 5.300 2.812 2.735 2.900 . 0 0 "[ . 1 . 2]" 1 760 1 66 TYR HA 1 70 HIS HE1 . . 4.300 3.030 2.897 3.152 . 0 0 "[ . 1 . 2]" 1 761 1 66 TYR HB2 1 67 HIS H . . 4.800 4.484 4.461 4.504 . 0 0 "[ . 1 . 2]" 1 762 1 66 TYR HB2 1 70 HIS HD1 . . 4.700 4.562 4.480 4.686 . 0 0 "[ . 1 . 2]" 1 763 1 66 TYR HB2 1 70 HIS HE1 . . 5.500 3.948 3.798 4.070 . 0 0 "[ . 1 . 2]" 1 764 1 66 TYR QD 1 70 HIS HB2 . . 7.040 4.796 4.653 4.940 . 0 0 "[ . 1 . 2]" 1 765 1 66 TYR QD 1 70 HIS HB3 . . 7.340 5.974 5.806 6.132 . 0 0 "[ . 1 . 2]" 1 766 1 66 TYR QE 1 70 HIS HB3 . . 7.430 5.122 5.009 5.293 . 0 0 "[ . 1 . 2]" 1 767 1 66 TYR QE 1 70 HIS HD1 . . 8.730 4.218 4.083 4.367 . 0 0 "[ . 1 . 2]" 1 768 1 67 HIS H 1 67 HIS QB . . 3.500 2.193 2.170 2.256 . 0 0 "[ . 1 . 2]" 1 769 1 67 HIS H 1 67 HIS HD2 . . 5.200 4.002 3.832 4.126 . 0 0 "[ . 1 . 2]" 1 770 1 67 HIS H 1 68 VAL H . . 3.800 2.073 2.035 2.099 . 0 0 "[ . 1 . 2]" 1 771 1 67 HIS H 1 68 VAL MG1 . . 6.300 4.027 3.905 4.108 . 0 0 "[ . 1 . 2]" 1 772 1 67 HIS H 1 68 VAL MG2 . . 5.800 2.962 2.705 3.122 . 0 0 "[ . 1 . 2]" 1 773 1 67 HIS H 1 70 HIS H . . 7.000 4.892 4.720 4.999 . 0 0 "[ . 1 . 2]" 1 774 1 67 HIS H 1 70 HIS HD1 . . 6.800 4.577 4.406 4.665 . 0 0 "[ . 1 . 2]" 1 775 1 67 HIS HA 1 70 HIS H . . 4.500 3.447 3.335 3.554 . 0 0 "[ . 1 . 2]" 1 776 1 67 HIS HA 1 70 HIS HB2 . . 5.200 3.815 3.634 4.035 . 0 0 "[ . 1 . 2]" 1 777 1 67 HIS HA 1 71 ASP QB . . 5.300 2.420 2.220 2.608 . 0 0 "[ . 1 . 2]" 1 778 1 67 HIS HA 1 74 THR MG . . 6.100 4.872 4.792 5.001 . 0 0 "[ . 1 . 2]" 1 779 1 67 HIS QB 1 68 VAL H . . 5.100 3.332 3.119 3.621 . 0 0 "[ . 1 . 2]" 1 780 1 67 HIS QB 1 71 ASP H . . 6.700 4.403 4.277 4.534 . 0 0 "[ . 1 . 2]" 1 781 1 67 HIS HD2 1 68 VAL H . . 5.500 3.594 3.246 3.885 . 0 0 "[ . 1 . 2]" 1 782 1 67 HIS HD2 1 68 VAL HA . . 5.100 3.633 3.375 3.799 . 0 0 "[ . 1 . 2]" 1 783 1 67 HIS HD2 1 68 VAL HB . . 6.100 4.731 4.552 4.887 . 0 0 "[ . 1 . 2]" 1 784 1 67 HIS HD2 1 68 VAL MG1 . . 3.400 1.973 1.920 2.049 . 0 0 "[ . 1 . 2]" 1 785 1 67 HIS HD2 1 68 VAL MG2 . . 4.900 3.493 3.362 3.675 . 0 0 "[ . 1 . 2]" 1 786 1 67 HIS HD2 1 74 THR HB . . 6.300 5.149 4.995 5.227 . 0 0 "[ . 1 . 2]" 1 787 1 67 HIS HD2 1 74 THR MG . . 5.500 3.468 3.306 3.600 . 0 0 "[ . 1 . 2]" 1 788 1 67 HIS HE1 1 68 VAL HA . . 7.000 5.917 5.693 6.151 . 0 0 "[ . 1 . 2]" 1 789 1 67 HIS HE1 1 68 VAL MG1 . . 8.000 5.082 4.904 5.236 . 0 0 "[ . 1 . 2]" 1 790 1 67 HIS HE1 1 71 ASP HA . . 6.600 5.609 5.292 6.073 . 0 0 "[ . 1 . 2]" 1 791 1 67 HIS HE1 1 71 ASP QB . . 5.500 3.269 3.063 3.671 . 0 0 "[ . 1 . 2]" 1 792 1 67 HIS HE1 1 73 ASN HB2 . . 6.900 4.714 4.073 6.033 . 0 0 "[ . 1 . 2]" 1 793 1 67 HIS HE1 1 73 ASN QB . . 6.650 4.161 3.712 4.904 . 0 0 "[ . 1 . 2]" 1 794 1 67 HIS HE1 1 73 ASN HB3 . . 6.900 4.885 3.795 5.974 . 0 0 "[ . 1 . 2]" 1 795 1 67 HIS HE1 1 74 THR HA . . 5.900 4.092 3.898 4.340 . 0 0 "[ . 1 . 2]" 1 796 1 67 HIS HE1 1 74 THR HB . . 7.000 4.902 4.670 5.200 . 0 0 "[ . 1 . 2]" 1 797 1 67 HIS HE1 1 74 THR MG . . 4.000 2.483 2.152 2.852 . 0 0 "[ . 1 . 2]" 1 798 1 68 VAL H 1 69 MET H . . 3.100 2.401 2.151 2.567 . 0 0 "[ . 1 . 2]" 1 799 1 68 VAL H 1 69 MET QG . . 6.900 3.312 3.037 4.694 . 0 0 "[ . 1 . 2]" 1 800 1 68 VAL H 1 70 HIS H . . 5.300 3.981 3.730 4.121 . 0 0 "[ . 1 . 2]" 1 801 1 68 VAL H 1 71 ASP H . . 5.900 4.980 4.800 5.044 . 0 0 "[ . 1 . 2]" 1 802 1 68 VAL H 1 74 THR MG . . 8.000 4.982 4.866 5.058 . 0 0 "[ . 1 . 2]" 1 803 1 68 VAL HA 1 68 VAL HB . . 2.800 2.577 2.556 2.597 . 0 0 "[ . 1 . 2]" 1 804 1 68 VAL HA 1 68 VAL MG1 . . 3.300 2.128 2.083 2.217 . 0 0 "[ . 1 . 2]" 1 805 1 68 VAL HA 1 68 VAL MG2 . . 3.700 3.196 3.187 3.204 . 0 0 "[ . 1 . 2]" 1 806 1 68 VAL HA 1 70 HIS H . . 5.600 3.898 3.835 3.969 . 0 0 "[ . 1 . 2]" 1 807 1 68 VAL HA 1 71 ASP H . . 4.800 4.738 4.647 4.811 0.011 5 0 "[ . 1 . 2]" 1 808 1 68 VAL HA 1 74 THR MG . . 4.800 3.022 2.901 3.140 . 0 0 "[ . 1 . 2]" 1 809 1 68 VAL HA 1 78 SER HA . . 5.700 4.377 4.308 4.473 . 0 0 "[ . 1 . 2]" 1 810 1 68 VAL HA 1 78 SER HB2 . . 3.900 3.131 2.922 3.342 . 0 0 "[ . 1 . 2]" 1 811 1 68 VAL HB 1 78 SER HA . . 6.100 4.610 4.529 4.681 . 0 0 "[ . 1 . 2]" 1 812 1 68 VAL MG1 1 69 MET H . . 5.400 4.410 4.395 4.427 . 0 0 "[ . 1 . 2]" 1 813 1 68 VAL MG1 1 69 MET ME . . 6.200 4.244 4.208 4.296 . 0 0 "[ . 1 . 2]" 1 814 1 68 VAL MG1 1 74 THR HA . . 8.000 5.391 5.246 5.466 . 0 0 "[ . 1 . 2]" 1 815 1 68 VAL MG1 1 74 THR HB . . 6.100 3.604 3.552 3.680 . 0 0 "[ . 1 . 2]" 1 816 1 68 VAL MG1 1 74 THR MG . . 6.600 2.930 2.850 3.056 . 0 0 "[ . 1 . 2]" 1 817 1 68 VAL MG1 1 78 SER H . . 8.000 6.477 6.402 6.530 . 0 0 "[ . 1 . 2]" 1 818 1 68 VAL MG1 1 78 SER HA . . 7.300 5.002 4.882 5.087 . 0 0 "[ . 1 . 2]" 1 819 1 68 VAL MG1 1 78 SER HB3 . . 8.000 4.893 4.635 5.503 . 0 0 "[ . 1 . 2]" 1 820 1 68 VAL MG2 1 69 MET H . . 4.100 3.226 3.146 3.265 . 0 0 "[ . 1 . 2]" 1 821 1 68 VAL MG2 1 69 MET HA . . 7.500 4.139 4.076 4.215 . 0 0 "[ . 1 . 2]" 1 822 1 68 VAL MG2 1 69 MET HB2 . . 6.800 4.281 3.767 4.387 . 0 0 "[ . 1 . 2]" 1 823 1 68 VAL MG2 1 69 MET ME . . 4.500 2.218 2.017 2.369 . 0 0 "[ . 1 . 2]" 1 824 1 68 VAL MG2 1 69 MET QG . . 6.200 2.321 2.081 3.598 . 0 0 "[ . 1 . 2]" 1 825 1 68 VAL MG2 1 70 HIS H . . 6.000 4.781 4.740 4.810 . 0 0 "[ . 1 . 2]" 1 826 1 68 VAL MG2 1 74 THR MG . . 7.300 4.952 4.923 4.990 . 0 0 "[ . 1 . 2]" 1 827 1 68 VAL MG2 1 78 SER HA . . 7.700 5.671 5.604 5.752 . 0 0 "[ . 1 . 2]" 1 828 1 69 MET H 1 69 MET HB2 . . 3.600 2.557 2.368 2.650 . 0 0 "[ . 1 . 2]" 1 829 1 69 MET H 1 69 MET ME . . 6.200 4.158 4.054 4.275 . 0 0 "[ . 1 . 2]" 1 830 1 69 MET H 1 69 MET QG . . 4.500 2.737 2.525 3.704 . 0 0 "[ . 1 . 2]" 1 831 1 69 MET H 1 71 ASP H . . 4.500 3.691 3.611 3.731 . 0 0 "[ . 1 . 2]" 1 832 1 69 MET HA 1 70 HIS HD2 . . 7.000 6.511 6.396 6.582 . 0 0 "[ . 1 . 2]" 1 833 1 69 MET HA 1 78 SER HA . . 5.400 4.431 4.270 4.487 . 0 0 "[ . 1 . 2]" 1 834 1 69 MET HA 1 78 SER HB2 . . 4.300 3.731 3.521 4.300 0.000 18 0 "[ . 1 . 2]" 1 835 1 69 MET HA 1 79 CYS H . . 3.800 2.645 2.466 2.716 . 0 0 "[ . 1 . 2]" 1 836 1 69 MET HA 1 80 VAL MG2 . . 8.000 4.479 4.374 4.553 . 0 0 "[ . 1 . 2]" 1 837 1 69 MET HB2 1 70 HIS H . . 4.100 3.329 3.211 3.557 . 0 0 "[ . 1 . 2]" 1 838 1 69 MET HB2 1 70 HIS HD1 . . 3.300 2.407 2.268 2.963 . 0 0 "[ . 1 . 2]" 1 839 1 69 MET HB3 1 70 HIS H . . 5.600 4.214 3.976 4.310 . 0 0 "[ . 1 . 2]" 1 840 1 69 MET HB3 1 70 HIS HD1 . . 3.800 3.825 3.645 3.860 0.060 10 0 "[ . 1 . 2]" 1 841 1 69 MET HB3 1 79 CYS H . . 6.000 4.894 4.808 4.975 . 0 0 "[ . 1 . 2]" 1 842 1 69 MET HB3 1 79 CYS HB2 . . 6.400 3.593 3.565 3.644 . 0 0 "[ . 1 . 2]" 1 843 1 69 MET QG 1 70 HIS HD1 . . 6.400 4.084 3.829 5.052 . 0 0 "[ . 1 . 2]" 1 844 1 70 HIS H 1 70 HIS HB2 . . 3.200 2.875 2.828 2.915 . 0 0 "[ . 1 . 2]" 1 845 1 70 HIS H 1 70 HIS HB3 . . 3.700 3.864 3.847 3.885 0.185 6 0 "[ . 1 . 2]" 1 846 1 70 HIS H 1 70 HIS HD1 . . 3.000 2.709 2.600 2.939 . 0 0 "[ . 1 . 2]" 1 847 1 70 HIS H 1 70 HIS HD2 . . 5.700 5.270 5.212 5.332 . 0 0 "[ . 1 . 2]" 1 848 1 70 HIS H 1 70 HIS HE1 . . 5.200 4.956 4.837 5.099 . 0 0 "[ . 1 . 2]" 1 849 1 70 HIS H 1 71 ASP H . . 3.000 2.243 2.187 2.265 . 0 0 "[ . 1 . 2]" 1 850 1 70 HIS H 1 71 ASP HA . . 5.800 4.612 4.579 4.633 . 0 0 "[ . 1 . 2]" 1 851 1 70 HIS H 1 71 ASP QB . . 8.000 3.577 3.560 3.601 . 0 0 "[ . 1 . 2]" 1 852 1 70 HIS H 1 79 CYS HB3 . . 6.800 6.664 6.528 6.752 . 0 0 "[ . 1 . 2]" 1 853 1 70 HIS H 1 80 VAL HB . . 7.000 4.591 4.490 4.685 . 0 0 "[ . 1 . 2]" 1 854 1 70 HIS H 1 80 VAL MG1 . . 8.000 5.693 5.605 5.777 . 0 0 "[ . 1 . 2]" 1 855 1 70 HIS H 1 80 VAL MG2 . . 6.800 4.278 4.230 4.337 . 0 0 "[ . 1 . 2]" 1 856 1 70 HIS HA 1 70 HIS HB3 . . 2.800 2.380 2.361 2.401 . 0 0 "[ . 1 . 2]" 1 857 1 70 HIS HA 1 70 HIS HD2 . . 3.800 3.621 3.443 3.674 . 0 0 "[ . 1 . 2]" 1 858 1 70 HIS HA 1 80 VAL HB . . 2.500 2.038 2.003 2.071 . 0 0 "[ . 1 . 2]" 1 859 1 70 HIS HA 1 80 VAL MG1 . . 4.500 3.373 3.291 3.442 . 0 0 "[ . 1 . 2]" 1 860 1 70 HIS HA 1 80 VAL MG2 . . 3.100 1.939 1.912 1.964 . 0 0 "[ . 1 . 2]" 1 861 1 70 HIS HA 1 81 GLY H . . 4.400 4.145 3.970 4.236 . 0 0 "[ . 1 . 2]" 1 862 1 70 HIS HB2 1 70 HIS HD1 . . 3.200 2.719 2.647 2.738 . 0 0 "[ . 1 . 2]" 1 863 1 70 HIS HB2 1 71 ASP H . . 3.900 2.214 2.192 2.270 . 0 0 "[ . 1 . 2]" 1 864 1 70 HIS HB2 1 71 ASP HA . . 5.700 3.934 3.897 3.975 . 0 0 "[ . 1 . 2]" 1 865 1 70 HIS HB2 1 80 VAL HB . . 4.700 4.763 4.732 4.796 0.096 9 0 "[ . 1 . 2]" 1 866 1 70 HIS HB2 1 80 VAL MG2 . . 5.400 4.103 3.980 4.238 . 0 0 "[ . 1 . 2]" 1 867 1 70 HIS HB3 1 70 HIS HD1 . . 3.800 3.816 3.784 3.823 0.023 11 0 "[ . 1 . 2]" 1 868 1 70 HIS HB3 1 70 HIS HD2 . . 3.300 2.764 2.754 2.807 . 0 0 "[ . 1 . 2]" 1 869 1 70 HIS HB3 1 71 ASP H . . 4.400 3.531 3.475 3.576 . 0 0 "[ . 1 . 2]" 1 870 1 70 HIS HB3 1 71 ASP HA . . 7.000 4.543 4.481 4.597 . 0 0 "[ . 1 . 2]" 1 871 1 70 HIS HB3 1 80 VAL MG1 . . 6.300 3.812 3.695 3.950 . 0 0 "[ . 1 . 2]" 1 872 1 70 HIS HB3 1 80 VAL MG2 . . 4.000 2.920 2.726 3.166 . 0 0 "[ . 1 . 2]" 1 873 1 70 HIS HD1 1 80 VAL MG2 . . 8.000 4.762 4.696 4.882 . 0 0 "[ . 1 . 2]" 1 874 1 70 HIS HD2 1 80 VAL H . . 6.500 5.606 5.460 5.687 . 0 0 "[ . 1 . 2]" 1 875 1 70 HIS HD2 1 80 VAL HB . . 5.000 4.914 4.822 5.000 . 10 0 "[ . 1 . 2]" 1 876 1 70 HIS HD2 1 80 VAL MG1 . . 5.800 4.477 4.420 4.535 . 0 0 "[ . 1 . 2]" 1 877 1 70 HIS HD2 1 106 HIS HD2 . . 7.000 4.441 4.340 4.527 . 0 0 "[ . 1 . 2]" 1 878 1 71 ASP H 1 74 THR MG . . 6.300 4.440 4.224 4.628 . 0 0 "[ . 1 . 2]" 1 879 1 71 ASP H 1 78 SER HG . . 7.000 4.346 4.090 4.792 . 0 0 "[ . 1 . 2]" 1 880 1 71 ASP H 1 80 VAL MG1 . . 8.000 5.657 5.518 5.795 . 0 0 "[ . 1 . 2]" 1 881 1 71 ASP HA 1 72 LYS QG . . 5.680 3.582 3.216 4.026 . 0 0 "[ . 1 . 2]" 1 882 1 71 ASP HA 1 74 THR MG . . 5.900 4.169 4.058 4.338 . 0 0 "[ . 1 . 2]" 1 883 1 71 ASP HA 1 80 VAL MG1 . . 8.000 5.380 5.179 5.582 . 0 0 "[ . 1 . 2]" 1 884 1 71 ASP HA 1 80 VAL MG2 . . 8.000 5.909 5.771 6.090 . 0 0 "[ . 1 . 2]" 1 885 1 71 ASP QB 1 72 LYS QG . . 8.880 4.792 4.581 5.081 . 0 0 "[ . 1 . 2]" 1 886 1 71 ASP QB 1 74 THR MG . . 5.500 2.081 1.875 2.293 . 0 0 "[ . 1 . 2]" 1 887 1 72 LYS HA 1 72 LYS QD . . 4.400 3.968 3.868 4.044 . 0 0 "[ . 1 . 2]" 1 888 1 72 LYS HA 1 72 LYS HG2 . . 3.300 3.007 2.162 3.348 0.048 16 0 "[ . 1 . 2]" 1 889 1 72 LYS HA 1 72 LYS QG . . 3.080 2.470 2.128 2.590 . 0 0 "[ . 1 . 2]" 1 890 1 72 LYS HA 1 72 LYS HG3 . . 3.300 2.832 2.448 3.354 0.054 11 0 "[ . 1 . 2]" 1 891 1 72 LYS HA 1 74 THR MG . . 5.800 3.467 3.343 3.632 . 0 0 "[ . 1 . 2]" 1 892 1 72 LYS HA 1 80 VAL MG1 . . 6.400 5.129 4.952 5.229 . 0 0 "[ . 1 . 2]" 1 893 1 72 LYS HA 1 81 GLY H . . 5.700 3.799 3.544 4.090 . 0 0 "[ . 1 . 2]" 1 894 1 72 LYS HA 1 81 GLY QA . . 4.480 2.722 2.519 2.960 . 0 0 "[ . 1 . 2]" 1 895 1 72 LYS QD 1 80 VAL MG1 . . 6.400 3.101 2.405 3.601 . 0 0 "[ . 1 . 2]" 1 896 1 72 LYS QD 1 84 VAL MG1 . . 6.500 3.362 2.384 4.464 . 0 0 "[ . 1 . 2]" 1 897 1 72 LYS QD 1 84 VAL MG2 . . 6.800 2.541 1.798 3.283 . 0 0 "[ . 1 . 2]" 1 898 1 72 LYS QE 1 80 VAL MG1 . . 6.400 2.674 1.925 4.279 . 0 0 "[ . 1 . 2]" 1 899 1 72 LYS QE 1 80 VAL MG2 . . 8.600 4.794 3.648 6.226 . 0 0 "[ . 1 . 2]" 1 900 1 72 LYS QE 1 84 VAL MG1 . . 7.400 3.514 2.465 4.982 . 0 0 "[ . 1 . 2]" 1 901 1 72 LYS QE 1 84 VAL MG2 . . 6.600 2.568 1.780 3.197 . 0 0 "[ . 1 . 2]" 1 902 1 72 LYS QG 1 80 VAL MG1 . . 6.080 2.765 2.519 3.020 . 0 0 "[ . 1 . 2]" 1 903 1 72 LYS QG 1 81 GLY QA . . 4.210 2.059 1.923 2.456 . 0 0 "[ . 1 . 2]" 1 904 1 72 LYS HG2 1 81 GLY HA2 . . 5.050 2.113 1.989 2.540 . 0 0 "[ . 1 . 2]" 1 905 1 72 LYS HG2 1 81 GLY HA3 . . 5.050 3.395 2.916 3.570 . 0 0 "[ . 1 . 2]" 1 906 1 72 LYS HG3 1 81 GLY HA2 . . 5.050 3.331 2.696 4.090 . 0 0 "[ . 1 . 2]" 1 907 1 72 LYS HG3 1 81 GLY HA3 . . 5.050 4.198 3.492 5.042 . 0 0 "[ . 1 . 2]" 1 908 1 74 THR HA 1 74 THR MG . . 3.400 2.380 2.327 2.470 . 0 0 "[ . 1 . 2]" 1 909 1 74 THR HA 1 75 LYS H . . 3.500 2.349 2.297 2.384 . 0 0 "[ . 1 . 2]" 1 910 1 74 THR HA 1 76 PHE H . . 6.100 3.938 3.830 3.988 . 0 0 "[ . 1 . 2]" 1 911 1 74 THR HB 1 75 LYS H . . 4.100 2.787 2.699 2.927 . 0 0 "[ . 1 . 2]" 1 912 1 74 THR HB 1 75 LYS HB2 . . 6.900 5.341 5.211 5.472 . 0 0 "[ . 1 . 2]" 1 913 1 74 THR HB 1 75 LYS HB3 . . 5.000 4.588 4.519 4.731 . 0 0 "[ . 1 . 2]" 1 914 1 74 THR HB 1 75 LYS HG2 . . 6.800 6.368 6.218 6.676 . 0 0 "[ . 1 . 2]" 1 915 1 74 THR HB 1 76 PHE H . . 4.000 2.581 2.547 2.626 . 0 0 "[ . 1 . 2]" 1 916 1 74 THR MG 1 75 LYS H . . 4.900 3.925 3.881 3.980 . 0 0 "[ . 1 . 2]" 1 917 1 74 THR MG 1 78 SER HA . . 6.100 4.927 4.789 4.975 . 0 0 "[ . 1 . 2]" 1 918 1 74 THR MG 1 78 SER HB3 . . 5.700 3.082 2.810 3.482 . 0 0 "[ . 1 . 2]" 1 919 1 75 LYS H 1 75 LYS HB2 . . 3.600 2.592 2.484 2.674 . 0 0 "[ . 1 . 2]" 1 920 1 75 LYS H 1 76 PHE H . . 4.200 2.570 2.560 2.578 . 0 0 "[ . 1 . 2]" 1 921 1 75 LYS H 1 76 PHE QD . . 9.140 4.347 4.166 4.450 . 0 0 "[ . 1 . 2]" 1 922 1 75 LYS HA 1 75 LYS HB2 . . 2.700 2.408 2.371 2.461 . 0 0 "[ . 1 . 2]" 1 923 1 75 LYS HA 1 75 LYS HG2 . . 3.500 3.099 2.445 3.516 0.016 19 0 "[ . 1 . 2]" 1 924 1 75 LYS HA 1 75 LYS HG3 . . 3.500 2.705 2.400 3.406 . 0 0 "[ . 1 . 2]" 1 925 1 75 LYS HA 1 76 PHE QD . . 9.140 5.316 5.247 5.386 . 0 0 "[ . 1 . 2]" 1 926 1 75 LYS HA 1 76 PHE QE . . 8.530 6.171 6.036 6.313 . 0 0 "[ . 1 . 2]" 1 927 1 75 LYS HB2 1 76 PHE H . . 4.300 4.246 4.190 4.296 . 0 0 "[ . 1 . 2]" 1 928 1 75 LYS HB2 1 76 PHE HZ . . 7.000 6.515 6.321 6.678 . 0 0 "[ . 1 . 2]" 1 929 1 75 LYS HB3 1 76 PHE H . . 3.700 3.166 3.108 3.222 . 0 0 "[ . 1 . 2]" 1 930 1 75 LYS HB3 1 76 PHE HZ . . 6.300 5.214 5.045 5.405 . 0 0 "[ . 1 . 2]" 1 931 1 75 LYS QD 1 76 PHE QD . . 10.140 4.319 2.952 5.518 . 0 0 "[ . 1 . 2]" 1 932 1 75 LYS QD 1 76 PHE QE . . 8.430 3.653 2.593 5.092 . 0 0 "[ . 1 . 2]" 1 933 1 75 LYS QD 1 76 PHE HZ . . 6.600 3.986 2.856 5.515 . 0 0 "[ . 1 . 2]" 1 934 1 75 LYS QE 1 76 PHE QE . . 8.130 3.575 2.411 4.884 . 0 0 "[ . 1 . 2]" 1 935 1 75 LYS QE 1 76 PHE HZ . . 5.700 3.617 2.411 5.092 . 0 0 "[ . 1 . 2]" 1 936 1 75 LYS HG2 1 76 PHE QD . . 7.340 4.047 3.718 4.788 . 0 0 "[ . 1 . 2]" 1 937 1 75 LYS HG2 1 76 PHE HZ . . 5.600 4.508 3.783 5.599 . 0 0 "[ . 1 . 2]" 1 938 1 75 LYS HG3 1 76 PHE HA . . 6.500 5.187 4.525 6.001 . 0 0 "[ . 1 . 2]" 1 939 1 75 LYS HG3 1 76 PHE QD . . 8.140 5.182 4.803 5.584 . 0 0 "[ . 1 . 2]" 1 940 1 75 LYS HG3 1 76 PHE QE . . 7.430 5.128 4.822 5.304 . 0 0 "[ . 1 . 2]" 1 941 1 75 LYS HG3 1 76 PHE HZ . . 5.800 5.725 5.423 5.809 0.009 12 0 "[ . 1 . 2]" 1 942 1 76 PHE H 1 77 LYS H . . 6.400 4.521 4.505 4.548 . 0 0 "[ . 1 . 2]" 1 943 1 76 PHE HA 1 76 PHE HB3 . . 2.800 2.596 2.579 2.613 . 0 0 "[ . 1 . 2]" 1 944 1 76 PHE HA 1 76 PHE QE . . 5.420 4.582 4.544 4.634 . 0 0 "[ . 1 . 2]" 1 945 1 76 PHE HA 1 76 PHE HZ . . 7.000 6.045 6.016 6.075 . 0 0 "[ . 1 . 2]" 1 946 1 76 PHE HB2 1 77 LYS H . . 3.900 3.907 3.884 3.923 0.023 18 0 "[ . 1 . 2]" 1 947 1 77 LYS H 1 77 LYS HB2 . . 3.500 2.191 2.040 2.358 . 0 0 "[ . 1 . 2]" 1 948 1 77 LYS H 1 77 LYS HB3 . . 3.900 3.463 3.326 3.533 . 0 0 "[ . 1 . 2]" 1 949 1 77 LYS H 1 77 LYS QG . . 4.480 2.736 2.277 3.271 . 0 0 "[ . 1 . 2]" 1 950 1 77 LYS H 1 78 SER H . . 5.000 4.566 4.543 4.580 . 0 0 "[ . 1 . 2]" 1 951 1 77 LYS HA 1 77 LYS HG2 . . 3.800 2.381 2.040 3.076 . 0 0 "[ . 1 . 2]" 1 952 1 77 LYS HA 1 77 LYS QG . . 3.600 2.169 1.976 2.353 . 0 0 "[ . 1 . 2]" 1 953 1 77 LYS HA 1 77 LYS HG3 . . 3.800 2.903 2.000 3.576 . 0 0 "[ . 1 . 2]" 1 954 1 77 LYS HA 1 78 SER H . . 2.400 2.189 2.181 2.196 . 0 0 "[ . 1 . 2]" 1 955 1 77 LYS HA 1 78 SER HA . . 5.200 4.319 4.316 4.323 . 0 0 "[ . 1 . 2]" 1 956 1 77 LYS HB2 1 82 CYS HB2 . . 4.500 3.949 3.717 4.160 . 0 0 "[ . 1 . 2]" 1 957 1 77 LYS HB3 1 78 SER H . . 3.600 3.489 3.367 3.612 0.012 20 0 "[ . 1 . 2]" 1 958 1 77 LYS HB3 1 78 SER HA . . 7.000 4.688 4.581 4.795 . 0 0 "[ . 1 . 2]" 1 959 1 77 LYS QD 1 78 SER H . . 6.500 4.882 3.551 5.561 . 0 0 "[ . 1 . 2]" 1 960 1 77 LYS QG 1 78 SER H . . 5.880 3.867 3.475 4.260 . 0 0 "[ . 1 . 2]" 1 961 1 77 LYS QG 1 82 CYS HB2 . . 6.080 3.682 2.672 4.330 . 0 0 "[ . 1 . 2]" 1 962 1 78 SER H 1 78 SER HB2 . . 4.100 3.596 3.363 3.661 . 0 0 "[ . 1 . 2]" 1 963 1 78 SER H 1 78 SER HB3 . . 3.800 2.461 2.176 2.611 . 0 0 "[ . 1 . 2]" 1 964 1 78 SER H 1 78 SER HG . . 5.300 3.712 3.390 4.059 . 0 0 "[ . 1 . 2]" 1 965 1 78 SER H 1 80 VAL H . . 7.000 5.643 5.542 5.702 . 0 0 "[ . 1 . 2]" 1 966 1 78 SER H 1 81 GLY H . . 4.700 3.639 3.581 3.723 . 0 0 "[ . 1 . 2]" 1 967 1 78 SER H 1 81 GLY HA2 . . 5.700 4.241 4.175 4.354 . 0 0 "[ . 1 . 2]" 1 968 1 78 SER H 1 81 GLY QA . . 4.970 2.480 2.418 2.591 . 0 0 "[ . 1 . 2]" 1 969 1 78 SER H 1 81 GLY HA3 . . 5.700 2.497 2.433 2.610 . 0 0 "[ . 1 . 2]" 1 970 1 78 SER H 1 82 CYS H . . 5.700 3.198 3.163 3.274 . 0 0 "[ . 1 . 2]" 1 971 1 78 SER HA 1 78 SER HB2 . . 2.800 2.323 2.260 2.369 . 0 0 "[ . 1 . 2]" 1 972 1 78 SER HA 1 78 SER HB3 . . 2.900 2.678 2.584 2.902 0.002 18 0 "[ . 1 . 2]" 1 973 1 78 SER HA 1 79 CYS H . . 2.800 2.463 2.425 2.500 . 0 0 "[ . 1 . 2]" 1 974 1 78 SER HA 1 79 CYS HA . . 6.000 4.285 4.284 4.286 . 0 0 "[ . 1 . 2]" 1 975 1 78 SER HA 1 79 CYS HB3 . . 6.700 5.889 5.869 5.908 . 0 0 "[ . 1 . 2]" 1 976 1 78 SER HA 1 81 GLY H . . 6.100 4.315 4.241 4.564 . 0 0 "[ . 1 . 2]" 1 977 1 78 SER HA 1 82 CYS H . . 6.900 4.549 4.504 4.601 . 0 0 "[ . 1 . 2]" 1 978 1 78 SER HB2 1 79 CYS H . . 3.600 2.851 2.646 3.295 . 0 0 "[ . 1 . 2]" 1 979 1 78 SER HB2 1 80 VAL MG2 . . 8.000 5.329 5.100 5.861 . 0 0 "[ . 1 . 2]" 1 980 1 78 SER HB2 1 81 GLY H . . 6.100 3.579 3.397 3.917 . 0 0 "[ . 1 . 2]" 1 981 1 78 SER HB3 1 79 CYS H . . 4.100 4.081 4.010 4.116 0.016 10 0 "[ . 1 . 2]" 1 982 1 78 SER HB3 1 80 VAL H . . 6.500 5.081 4.810 5.165 . 0 0 "[ . 1 . 2]" 1 983 1 78 SER HB3 1 80 VAL MG2 . . 8.000 6.169 5.937 6.272 . 0 0 "[ . 1 . 2]" 1 984 1 78 SER HG 1 79 CYS H . . 6.600 4.223 3.797 4.545 . 0 0 "[ . 1 . 2]" 1 985 1 78 SER HG 1 81 GLY H . . 3.800 2.269 2.096 2.416 . 0 0 "[ . 1 . 2]" 1 986 1 79 CYS H 1 79 CYS HB2 . . 3.700 2.671 2.637 2.708 . 0 0 "[ . 1 . 2]" 1 987 1 79 CYS H 1 79 CYS HB3 . . 4.000 3.560 3.558 3.564 . 0 0 "[ . 1 . 2]" 1 988 1 79 CYS H 1 80 VAL H . . 3.500 3.122 3.066 3.165 . 0 0 "[ . 1 . 2]" 1 989 1 79 CYS H 1 80 VAL HB . . 5.300 5.138 5.079 5.202 . 0 0 "[ . 1 . 2]" 1 990 1 79 CYS H 1 80 VAL MG1 . . 8.000 6.131 6.089 6.177 . 0 0 "[ . 1 . 2]" 1 991 1 79 CYS H 1 80 VAL MG2 . . 6.400 4.669 4.574 4.760 . 0 0 "[ . 1 . 2]" 1 992 1 79 CYS H 1 81 GLY H . . 4.900 3.876 3.804 4.168 . 0 0 "[ . 1 . 2]" 1 993 1 79 CYS H 1 82 CYS H . . 6.300 4.715 4.688 4.768 . 0 0 "[ . 1 . 2]" 1 994 1 79 CYS HA 1 79 CYS HB3 . . 3.000 2.431 2.422 2.441 . 0 0 "[ . 1 . 2]" 1 995 1 79 CYS HA 1 80 VAL MG2 . . 8.000 4.854 4.781 4.935 . 0 0 "[ . 1 . 2]" 1 996 1 79 CYS HA 1 83 HIS H . . 5.600 4.147 4.084 4.258 . 0 0 "[ . 1 . 2]" 1 997 1 79 CYS HB2 1 80 VAL H . . 2.800 2.105 2.088 2.144 . 0 0 "[ . 1 . 2]" 1 998 1 79 CYS HB2 1 80 VAL MG1 . . 6.800 5.194 5.178 5.227 . 0 0 "[ . 1 . 2]" 1 999 1 79 CYS HB2 1 80 VAL MG2 . . 4.400 2.871 2.733 3.067 . 0 0 "[ . 1 . 2]" 1 1000 1 79 CYS HB3 1 80 VAL H . . 3.200 3.310 3.288 3.327 0.127 6 0 "[ . 1 . 2]" 1 1001 1 79 CYS HB3 1 80 VAL MG1 . . 7.000 5.825 5.804 5.844 . 0 0 "[ . 1 . 2]" 1 1002 1 79 CYS HB3 1 80 VAL MG2 . . 4.900 3.695 3.572 3.817 . 0 0 "[ . 1 . 2]" 1 1003 1 80 VAL H 1 80 VAL HB . . 2.700 2.361 2.332 2.383 . 0 0 "[ . 1 . 2]" 1 1004 1 80 VAL H 1 80 VAL MG1 . . 4.300 3.694 3.688 3.698 . 0 0 "[ . 1 . 2]" 1 1005 1 80 VAL H 1 80 VAL MG2 . . 3.000 2.146 2.024 2.318 . 0 0 "[ . 1 . 2]" 1 1006 1 80 VAL H 1 81 GLY H . . 3.200 2.614 2.599 2.699 . 0 0 "[ . 1 . 2]" 1 1007 1 80 VAL H 1 81 GLY QA . . 7.280 4.439 4.430 4.475 . 0 0 "[ . 1 . 2]" 1 1008 1 80 VAL H 1 82 CYS H . . 5.800 4.662 4.559 4.699 . 0 0 "[ . 1 . 2]" 1 1009 1 80 VAL H 1 83 HIS H . . 6.400 4.687 4.650 4.703 . 0 0 "[ . 1 . 2]" 1 1010 1 80 VAL HA 1 80 VAL MG1 . . 3.300 2.417 2.365 2.522 . 0 0 "[ . 1 . 2]" 1 1011 1 80 VAL HA 1 80 VAL MG2 . . 3.200 2.339 2.227 2.425 . 0 0 "[ . 1 . 2]" 1 1012 1 80 VAL HA 1 82 CYS H . . 7.000 4.731 4.618 4.777 . 0 0 "[ . 1 . 2]" 1 1013 1 80 VAL HA 1 83 HIS H . . 3.500 3.350 3.249 3.392 . 0 0 "[ . 1 . 2]" 1 1014 1 80 VAL HA 1 83 HIS HB2 . . 2.500 1.908 1.878 1.932 . 0 0 "[ . 1 . 2]" 1 1015 1 80 VAL HA 1 83 HIS HD1 . . 5.300 3.919 3.849 3.999 . 0 0 "[ . 1 . 2]" 1 1016 1 80 VAL HA 1 84 VAL H . . 4.500 3.626 3.580 3.675 . 0 0 "[ . 1 . 2]" 1 1017 1 80 VAL HA 1 84 VAL MG2 . . 6.200 3.458 3.423 3.507 . 0 0 "[ . 1 . 2]" 1 1018 1 80 VAL HA 1 98 THR HA . . 4.600 3.595 3.509 3.721 . 0 0 "[ . 1 . 2]" 1 1019 1 80 VAL HA 1 98 THR HB . . 6.100 4.043 3.888 4.175 . 0 0 "[ . 1 . 2]" 1 1020 1 80 VAL HA 1 98 THR MG . . 5.200 2.795 2.729 2.885 . 0 0 "[ . 1 . 2]" 1 1021 1 80 VAL HB 1 81 GLY H . . 3.500 2.797 2.541 2.853 . 0 0 "[ . 1 . 2]" 1 1022 1 80 VAL HB 1 82 CYS H . . 6.300 5.560 5.369 5.612 . 0 0 "[ . 1 . 2]" 1 1023 1 80 VAL HB 1 83 HIS H . . 6.100 5.546 5.437 5.584 . 0 0 "[ . 1 . 2]" 1 1024 1 80 VAL MG1 1 81 GLY H . . 4.800 3.583 3.291 3.656 . 0 0 "[ . 1 . 2]" 1 1025 1 80 VAL MG1 1 81 GLY HA2 . . 5.800 3.669 3.503 3.780 . 0 0 "[ . 1 . 2]" 1 1026 1 80 VAL MG1 1 81 GLY QA . . 5.530 3.543 3.387 3.639 . 0 0 "[ . 1 . 2]" 1 1027 1 80 VAL MG1 1 81 GLY HA3 . . 5.800 4.679 4.495 4.750 . 0 0 "[ . 1 . 2]" 1 1028 1 80 VAL MG1 1 82 CYS H . . 8.000 5.328 5.138 5.395 . 0 0 "[ . 1 . 2]" 1 1029 1 80 VAL MG1 1 83 HIS H . . 6.700 4.639 4.497 4.688 . 0 0 "[ . 1 . 2]" 1 1030 1 80 VAL MG1 1 83 HIS HB2 . . 5.200 3.394 3.222 3.530 . 0 0 "[ . 1 . 2]" 1 1031 1 80 VAL MG1 1 83 HIS HD1 . . 7.000 5.035 4.941 5.139 . 0 0 "[ . 1 . 2]" 1 1032 1 80 VAL MG1 1 84 VAL H . . 5.800 3.450 3.322 3.548 . 0 0 "[ . 1 . 2]" 1 1033 1 80 VAL MG1 1 84 VAL HA . . 6.600 4.224 4.146 4.309 . 0 0 "[ . 1 . 2]" 1 1034 1 80 VAL MG1 1 84 VAL HB . . 5.700 3.987 3.860 4.142 . 0 0 "[ . 1 . 2]" 1 1035 1 80 VAL MG1 1 84 VAL MG1 . . 6.400 4.056 4.021 4.128 . 0 0 "[ . 1 . 2]" 1 1036 1 80 VAL MG1 1 84 VAL MG2 . . 4.500 1.888 1.792 1.989 . 0 0 "[ . 1 . 2]" 1 1037 1 80 VAL MG1 1 97 LEU HB3 . . 8.000 5.556 5.439 5.711 . 0 0 "[ . 1 . 2]" 1 1038 1 80 VAL MG1 1 98 THR HA . . 4.400 2.812 2.608 2.975 . 0 0 "[ . 1 . 2]" 1 1039 1 80 VAL MG1 1 98 THR HB . . 3.900 1.971 1.923 2.106 . 0 0 "[ . 1 . 2]" 1 1040 1 80 VAL MG1 1 98 THR MG . . 4.600 2.398 2.293 2.627 . 0 0 "[ . 1 . 2]" 1 1041 1 80 VAL MG2 1 81 GLY H . . 4.600 3.958 3.906 4.003 . 0 0 "[ . 1 . 2]" 1 1042 1 80 VAL MG2 1 83 HIS H . . 6.400 5.080 5.019 5.125 . 0 0 "[ . 1 . 2]" 1 1043 1 80 VAL MG2 1 83 HIS HB2 . . 5.000 3.819 3.734 3.883 . 0 0 "[ . 1 . 2]" 1 1044 1 80 VAL MG2 1 84 VAL MG2 . . 8.200 4.044 4.004 4.085 . 0 0 "[ . 1 . 2]" 1 1045 1 80 VAL MG2 1 98 THR HA . . 4.800 2.706 2.511 2.871 . 0 0 "[ . 1 . 2]" 1 1046 1 80 VAL MG2 1 98 THR HB . . 5.700 3.553 3.366 3.665 . 0 0 "[ . 1 . 2]" 1 1047 1 80 VAL MG2 1 98 THR MG . . 5.700 3.647 3.578 3.703 . 0 0 "[ . 1 . 2]" 1 1048 1 80 VAL MG2 1 106 HIS HD2 . . 7.300 5.281 5.106 5.414 . 0 0 "[ . 1 . 2]" 1 1049 1 81 GLY H 1 81 GLY HA2 . . 2.900 2.744 2.679 2.754 . 0 0 "[ . 1 . 2]" 1 1050 1 81 GLY H 1 81 GLY QA . . 2.660 2.153 2.152 2.154 . 0 0 "[ . 1 . 2]" 1 1051 1 81 GLY H 1 81 GLY HA3 . . 2.900 2.250 2.248 2.269 . 0 0 "[ . 1 . 2]" 1 1052 1 81 GLY H 1 82 CYS H . . 3.300 3.019 2.991 3.152 . 0 0 "[ . 1 . 2]" 1 1053 1 81 GLY H 1 83 HIS H . . 4.800 4.088 4.049 4.271 . 0 0 "[ . 1 . 2]" 1 1054 1 81 GLY H 1 84 VAL MG2 . . 6.300 4.005 3.862 4.274 . 0 0 "[ . 1 . 2]" 1 1055 1 81 GLY QA 1 83 HIS H . . 6.320 4.151 4.128 4.209 . 0 0 "[ . 1 . 2]" 1 1056 1 81 GLY QA 1 84 VAL H . . 6.280 3.531 3.515 3.543 . 0 0 "[ . 1 . 2]" 1 1057 1 81 GLY QA 1 84 VAL MG2 . . 6.180 2.725 2.524 3.052 . 0 0 "[ . 1 . 2]" 1 1058 1 81 GLY HA2 1 83 HIS H . . 7.000 4.707 4.675 4.765 . 0 0 "[ . 1 . 2]" 1 1059 1 81 GLY HA3 1 83 HIS H . . 7.000 4.614 4.591 4.685 . 0 0 "[ . 1 . 2]" 1 1060 1 82 CYS H 1 82 CYS HB2 . . 2.900 2.487 2.441 2.503 . 0 0 "[ . 1 . 2]" 1 1061 1 82 CYS H 1 82 CYS HB3 . . 2.700 2.518 2.502 2.563 . 0 0 "[ . 1 . 2]" 1 1062 1 82 CYS H 1 83 HIS H . . 2.900 2.637 2.627 2.665 . 0 0 "[ . 1 . 2]" 1 1063 1 82 CYS H 1 83 HIS HA . . 5.800 5.166 5.158 5.189 . 0 0 "[ . 1 . 2]" 1 1064 1 82 CYS H 1 85 GLU H . . 5.600 4.793 4.756 4.829 . 0 0 "[ . 1 . 2]" 1 1065 1 82 CYS HA 1 82 CYS HB2 . . 2.700 2.469 2.461 2.492 . 0 0 "[ . 1 . 2]" 1 1066 1 82 CYS HA 1 83 HIS HD2 . . 6.300 5.216 5.193 5.232 . 0 0 "[ . 1 . 2]" 1 1067 1 82 CYS HA 1 84 VAL H . . 4.300 4.328 4.309 4.346 0.046 17 0 "[ . 1 . 2]" 1 1068 1 82 CYS HA 1 85 GLU H . . 4.000 3.235 3.216 3.257 . 0 0 "[ . 1 . 2]" 1 1069 1 82 CYS HA 1 85 GLU HB2 . . 3.800 2.564 2.496 2.647 . 0 0 "[ . 1 . 2]" 1 1070 1 82 CYS HA 1 85 GLU HB3 . . 4.100 4.050 3.966 4.124 0.024 16 0 "[ . 1 . 2]" 1 1071 1 82 CYS HB2 1 83 HIS H . . 4.100 3.893 3.828 3.911 . 0 0 "[ . 1 . 2]" 1 1072 1 82 CYS HB3 1 83 HIS H . . 3.100 2.623 2.557 2.647 . 0 0 "[ . 1 . 2]" 1 1073 1 83 HIS H 1 83 HIS HB2 . . 2.600 2.263 2.253 2.282 . 0 0 "[ . 1 . 2]" 1 1074 1 83 HIS H 1 83 HIS HD1 . . 4.700 4.879 4.855 4.905 0.205 19 0 "[ . 1 . 2]" 1 1075 1 83 HIS H 1 83 HIS HD2 . . 3.000 2.642 2.610 2.683 . 0 0 "[ . 1 . 2]" 1 1076 1 83 HIS H 1 84 VAL H . . 3.000 2.815 2.811 2.828 . 0 0 "[ . 1 . 2]" 1 1077 1 83 HIS H 1 84 VAL HA . . 5.900 5.330 5.324 5.338 . 0 0 "[ . 1 . 2]" 1 1078 1 83 HIS H 1 84 VAL HB . . 5.500 4.856 4.785 4.923 . 0 0 "[ . 1 . 2]" 1 1079 1 83 HIS H 1 84 VAL MG1 . . 7.000 5.942 5.907 5.970 . 0 0 "[ . 1 . 2]" 1 1080 1 83 HIS H 1 86 VAL H . . 5.000 4.513 4.441 4.534 . 0 0 "[ . 1 . 2]" 1 1081 1 83 HIS H 1 86 VAL HB . . 5.300 4.862 4.633 4.907 . 0 0 "[ . 1 . 2]" 1 1082 1 83 HIS H 1 98 THR HA . . 7.000 6.355 6.219 6.461 . 0 0 "[ . 1 . 2]" 1 1083 1 83 HIS H 1 98 THR MG . . 6.000 4.059 3.986 4.098 . 0 0 "[ . 1 . 2]" 1 1084 1 83 HIS HA 1 83 HIS HD1 . . 4.500 4.366 4.335 4.388 . 0 0 "[ . 1 . 2]" 1 1085 1 83 HIS HA 1 85 GLU H . . 4.800 4.146 4.094 4.266 . 0 0 "[ . 1 . 2]" 1 1086 1 83 HIS HA 1 86 VAL H . . 3.100 3.012 2.970 3.037 . 0 0 "[ . 1 . 2]" 1 1087 1 83 HIS HA 1 86 VAL HB . . 2.300 2.285 2.106 2.336 0.036 17 0 "[ . 1 . 2]" 1 1088 1 83 HIS HA 1 88 GLY H . . 7.000 5.647 5.546 5.738 . 0 0 "[ . 1 . 2]" 1 1089 1 83 HIS HA 1 97 LEU MD1 . . 4.100 3.166 3.016 3.279 . 0 0 "[ . 1 . 2]" 1 1090 1 83 HIS HA 1 98 THR MG . . 5.400 3.838 3.767 3.895 . 0 0 "[ . 1 . 2]" 1 1091 1 83 HIS HB2 1 83 HIS HD1 . . 3.400 3.172 3.149 3.201 . 0 0 "[ . 1 . 2]" 1 1092 1 83 HIS HB2 1 84 VAL H . . 3.900 2.780 2.764 2.791 . 0 0 "[ . 1 . 2]" 1 1093 1 83 HIS HB2 1 98 THR HA . . 5.800 4.132 3.985 4.233 . 0 0 "[ . 1 . 2]" 1 1094 1 83 HIS HB2 1 98 THR MG . . 3.200 2.291 2.196 2.354 . 0 0 "[ . 1 . 2]" 1 1095 1 83 HIS HB3 1 84 VAL H . . 4.200 3.468 3.455 3.487 . 0 0 "[ . 1 . 2]" 1 1096 1 83 HIS HB3 1 97 LEU MD2 . . 5.000 3.999 3.947 4.031 . 0 0 "[ . 1 . 2]" 1 1097 1 83 HIS HB3 1 98 THR HA . . 5.000 3.961 3.876 4.055 . 0 0 "[ . 1 . 2]" 1 1098 1 83 HIS HB3 1 98 THR MG . . 3.600 1.960 1.913 2.016 . 0 0 "[ . 1 . 2]" 1 1099 1 83 HIS HD1 1 84 VAL H . . 6.000 5.783 5.766 5.799 . 0 0 "[ . 1 . 2]" 1 1100 1 83 HIS HD1 1 87 ALA MB . . 6.500 5.233 5.065 5.332 . 0 0 "[ . 1 . 2]" 1 1101 1 83 HIS HD1 1 97 LEU H . . 4.900 4.642 4.577 4.708 . 0 0 "[ . 1 . 2]" 1 1102 1 83 HIS HD1 1 97 LEU HA . . 3.200 2.373 2.263 2.515 . 0 0 "[ . 1 . 2]" 1 1103 1 83 HIS HD1 1 97 LEU HB2 . . 3.800 3.849 3.825 3.866 0.066 11 0 "[ . 1 . 2]" 1 1104 1 83 HIS HD1 1 97 LEU MD2 . . 3.900 2.798 2.685 2.922 . 0 0 "[ . 1 . 2]" 1 1105 1 83 HIS HD1 1 98 THR H . . 7.000 4.297 4.224 4.371 . 0 0 "[ . 1 . 2]" 1 1106 1 83 HIS HD1 1 98 THR HA . . 4.900 3.830 3.706 3.894 . 0 0 "[ . 1 . 2]" 1 1107 1 83 HIS HD1 1 98 THR MG . . 5.100 3.496 3.441 3.535 . 0 0 "[ . 1 . 2]" 1 1108 1 83 HIS HE1 1 97 LEU MD2 . . 4.000 2.822 2.638 2.955 . 0 0 "[ . 1 . 2]" 1 1109 1 84 VAL H 1 84 VAL HA . . 2.700 2.767 2.759 2.773 0.073 20 0 "[ . 1 . 2]" 1 1110 1 84 VAL H 1 84 VAL MG2 . . 3.000 2.216 2.098 2.282 . 0 0 "[ . 1 . 2]" 1 1111 1 84 VAL H 1 86 VAL MG2 . . 6.100 4.927 4.833 4.968 . 0 0 "[ . 1 . 2]" 1 1112 1 84 VAL H 1 98 THR MG . . 4.000 2.812 2.735 2.882 . 0 0 "[ . 1 . 2]" 1 1113 1 84 VAL HA 1 84 VAL HB . . 3.000 3.021 3.013 3.024 0.024 11 0 "[ . 1 . 2]" 1 1114 1 84 VAL HA 1 84 VAL MG1 . . 3.500 2.458 2.365 2.526 . 0 0 "[ . 1 . 2]" 1 1115 1 84 VAL HA 1 84 VAL MG2 . . 3.000 2.314 2.277 2.360 . 0 0 "[ . 1 . 2]" 1 1116 1 84 VAL HA 1 86 VAL H . . 5.700 4.329 4.273 4.388 . 0 0 "[ . 1 . 2]" 1 1117 1 84 VAL HA 1 87 ALA MB . . 3.900 2.930 2.800 3.134 . 0 0 "[ . 1 . 2]" 1 1118 1 84 VAL HA 1 88 GLY H . . 5.500 3.701 3.236 4.262 . 0 0 "[ . 1 . 2]" 1 1119 1 84 VAL HA 1 97 LEU HB3 . . 7.000 5.458 5.376 5.538 . 0 0 "[ . 1 . 2]" 1 1120 1 84 VAL HA 1 98 THR HA . . 6.200 5.929 5.845 6.046 . 0 0 "[ . 1 . 2]" 1 1121 1 84 VAL HA 1 98 THR HB . . 5.900 4.416 4.302 4.523 . 0 0 "[ . 1 . 2]" 1 1122 1 84 VAL HA 1 98 THR MG . . 3.100 2.066 1.969 2.167 . 0 0 "[ . 1 . 2]" 1 1123 1 84 VAL HB 1 85 GLU H . . 3.200 2.795 2.695 2.839 . 0 0 "[ . 1 . 2]" 1 1124 1 84 VAL MG1 1 85 GLU H . . 4.600 3.540 3.380 3.653 . 0 0 "[ . 1 . 2]" 1 1125 1 84 VAL MG1 1 85 GLU HA . . 5.000 3.522 3.304 3.703 . 0 0 "[ . 1 . 2]" 1 1126 1 84 VAL MG1 1 85 GLU HB2 . . 6.300 4.788 4.598 4.929 . 0 0 "[ . 1 . 2]" 1 1127 1 84 VAL MG1 1 86 VAL H . . 7.000 5.025 4.924 5.097 . 0 0 "[ . 1 . 2]" 1 1128 1 84 VAL MG1 1 88 GLY H . . 5.800 4.104 3.702 4.619 . 0 0 "[ . 1 . 2]" 1 1129 1 84 VAL MG1 1 98 THR HA . . 8.000 6.660 6.621 6.694 . 0 0 "[ . 1 . 2]" 1 1130 1 84 VAL MG1 1 98 THR HB . . 6.500 4.873 4.784 4.942 . 0 0 "[ . 1 . 2]" 1 1131 1 84 VAL MG2 1 85 GLU HA . . 7.700 5.434 5.427 5.438 . 0 0 "[ . 1 . 2]" 1 1132 1 84 VAL MG2 1 98 THR HA . . 5.700 4.283 4.187 4.360 . 0 0 "[ . 1 . 2]" 1 1133 1 84 VAL MG2 1 98 THR HB . . 4.600 2.723 2.577 2.870 . 0 0 "[ . 1 . 2]" 1 1134 1 85 GLU H 1 85 GLU HA . . 2.900 2.827 2.825 2.832 . 0 0 "[ . 1 . 2]" 1 1135 1 85 GLU H 1 85 GLU HB2 . . 2.800 2.088 2.084 2.093 . 0 0 "[ . 1 . 2]" 1 1136 1 85 GLU H 1 85 GLU HB3 . . 3.300 3.366 3.360 3.369 0.069 4 0 "[ . 1 . 2]" 1 1137 1 85 GLU H 1 85 GLU HG2 . . 3.700 3.546 3.528 3.559 . 0 0 "[ . 1 . 2]" 1 1138 1 85 GLU H 1 85 GLU QG . . 3.390 3.158 3.150 3.171 . 0 0 "[ . 1 . 2]" 1 1139 1 85 GLU H 1 85 GLU HG3 . . 3.700 3.544 3.532 3.563 . 0 0 "[ . 1 . 2]" 1 1140 1 85 GLU H 1 86 VAL H . . 2.600 2.464 2.445 2.471 . 0 0 "[ . 1 . 2]" 1 1141 1 85 GLU H 1 86 VAL HA . . 6.900 5.056 5.044 5.063 . 0 0 "[ . 1 . 2]" 1 1142 1 85 GLU H 1 87 ALA MB . . 6.900 5.001 4.915 5.091 . 0 0 "[ . 1 . 2]" 1 1143 1 85 GLU HA 1 85 GLU HG2 . . 3.600 2.009 2.004 2.014 . 0 0 "[ . 1 . 2]" 1 1144 1 85 GLU HA 1 85 GLU QG . . 3.290 1.993 1.988 1.998 . 0 0 "[ . 1 . 2]" 1 1145 1 85 GLU HA 1 85 GLU HG3 . . 3.600 3.321 3.311 3.332 . 0 0 "[ . 1 . 2]" 1 1146 1 85 GLU HA 1 86 VAL H . . 3.500 3.566 3.559 3.569 0.069 4 0 "[ . 1 . 2]" 1 1147 1 85 GLU HA 1 88 GLY H . . 3.900 3.478 3.360 3.658 . 0 0 "[ . 1 . 2]" 1 1148 1 85 GLU HB2 1 86 VAL H . . 3.200 3.140 3.127 3.172 . 0 0 "[ . 1 . 2]" 1 1149 1 85 GLU HB3 1 86 VAL H . . 3.400 3.424 3.416 3.443 0.043 17 0 "[ . 1 . 2]" 1 1150 1 85 GLU QG 1 86 VAL H . . 5.080 4.528 4.523 4.542 . 0 0 "[ . 1 . 2]" 1 1151 1 86 VAL H 1 86 VAL HA . . 2.900 2.848 2.834 2.857 . 0 0 "[ . 1 . 2]" 1 1152 1 86 VAL H 1 86 VAL HB . . 3.100 2.377 2.340 2.399 . 0 0 "[ . 1 . 2]" 1 1153 1 86 VAL H 1 86 VAL MG2 . . 3.000 2.199 2.091 2.357 . 0 0 "[ . 1 . 2]" 1 1154 1 86 VAL H 1 87 ALA H . . 2.900 2.599 2.555 2.631 . 0 0 "[ . 1 . 2]" 1 1155 1 86 VAL H 1 88 GLY H . . 4.000 3.593 3.414 3.692 . 0 0 "[ . 1 . 2]" 1 1156 1 86 VAL H 1 97 LEU HB2 . . 6.800 6.296 6.011 6.577 . 0 0 "[ . 1 . 2]" 1 1157 1 86 VAL H 1 97 LEU MD1 . . 5.600 4.422 4.312 4.551 . 0 0 "[ . 1 . 2]" 1 1158 1 86 VAL HA 1 86 VAL MG1 . . 3.200 2.422 2.331 2.484 . 0 0 "[ . 1 . 2]" 1 1159 1 86 VAL HA 1 86 VAL MG2 . . 3.000 2.400 2.288 2.448 . 0 0 "[ . 1 . 2]" 1 1160 1 86 VAL HA 1 97 LEU MD1 . . 6.400 4.711 4.531 4.867 . 0 0 "[ . 1 . 2]" 1 1161 1 86 VAL HB 1 87 ALA H . . 2.800 2.425 2.367 2.472 . 0 0 "[ . 1 . 2]" 1 1162 1 86 VAL HB 1 87 ALA MB . . 4.900 3.768 3.659 3.878 . 0 0 "[ . 1 . 2]" 1 1163 1 86 VAL HB 1 88 GLY H . . 4.700 4.622 4.453 4.722 0.022 20 0 "[ . 1 . 2]" 1 1164 1 86 VAL HB 1 97 LEU MD1 . . 3.500 2.676 2.514 2.808 . 0 0 "[ . 1 . 2]" 1 1165 1 86 VAL HB 1 98 THR MG . . 6.000 4.876 4.783 4.963 . 0 0 "[ . 1 . 2]" 1 1166 1 86 VAL MG1 1 87 ALA H . . 4.100 3.318 3.242 3.389 . 0 0 "[ . 1 . 2]" 1 1167 1 86 VAL MG1 1 87 ALA HA . . 4.800 3.483 3.370 3.642 . 0 0 "[ . 1 . 2]" 1 1168 1 86 VAL MG1 1 93 LYS QE . . 9.000 4.829 3.705 5.993 . 0 0 "[ . 1 . 2]" 1 1169 1 86 VAL MG1 1 97 LEU MD1 . . 4.200 2.293 2.033 2.459 . 0 0 "[ . 1 . 2]" 1 1170 1 87 ALA H 1 87 ALA MB . . 3.000 2.083 1.941 2.174 . 0 0 "[ . 1 . 2]" 1 1171 1 87 ALA H 1 88 GLY H . . 3.100 2.571 2.515 2.605 . 0 0 "[ . 1 . 2]" 1 1172 1 87 ALA H 1 98 THR MG . . 5.200 3.852 3.764 3.916 . 0 0 "[ . 1 . 2]" 1 1173 1 87 ALA HA 1 93 LYS HB2 . . 3.100 2.658 2.473 2.825 . 0 0 "[ . 1 . 2]" 1 1174 1 87 ALA HA 1 93 LYS HB3 . . 2.900 2.688 2.314 2.920 0.020 17 0 "[ . 1 . 2]" 1 1175 1 87 ALA HA 1 93 LYS QG . . 6.500 4.001 3.245 4.398 . 0 0 "[ . 1 . 2]" 1 1176 1 87 ALA HA 1 94 LYS H . . 6.300 4.579 4.184 4.982 . 0 0 "[ . 1 . 2]" 1 1177 1 87 ALA HA 1 97 LEU MD1 . . 4.600 3.047 2.874 3.312 . 0 0 "[ . 1 . 2]" 1 1178 1 87 ALA MB 1 88 GLY H . . 4.100 2.886 2.637 3.278 . 0 0 "[ . 1 . 2]" 1 1179 1 87 ALA MB 1 89 ALA HA . . 8.000 5.235 4.577 6.030 . 0 0 "[ . 1 . 2]" 1 1180 1 87 ALA MB 1 90 ASP HB2 . . 5.800 4.423 3.899 4.694 . 0 0 "[ . 1 . 2]" 1 1181 1 87 ALA MB 1 91 ALA HA . . 6.300 4.952 4.343 5.133 . 0 0 "[ . 1 . 2]" 1 1182 1 87 ALA MB 1 93 LYS HA . . 5.300 3.860 3.528 4.109 . 0 0 "[ . 1 . 2]" 1 1183 1 87 ALA MB 1 93 LYS HB2 . . 3.900 2.553 2.254 2.767 . 0 0 "[ . 1 . 2]" 1 1184 1 87 ALA MB 1 93 LYS HB3 . . 3.400 2.295 1.877 2.695 . 0 0 "[ . 1 . 2]" 1 1185 1 87 ALA MB 1 93 LYS QD . . 5.600 3.703 3.186 4.040 . 0 0 "[ . 1 . 2]" 1 1186 1 87 ALA MB 1 93 LYS QE . . 9.000 5.118 3.530 5.654 . 0 0 "[ . 1 . 2]" 1 1187 1 87 ALA MB 1 94 LYS H . . 4.100 2.691 2.336 2.979 . 0 0 "[ . 1 . 2]" 1 1188 1 87 ALA MB 1 94 LYS HA . . 3.000 2.332 2.032 2.604 . 0 0 "[ . 1 . 2]" 1 1189 1 87 ALA MB 1 94 LYS QE . . 9.000 4.544 2.899 5.595 . 0 0 "[ . 1 . 2]" 1 1190 1 87 ALA MB 1 97 LEU MD1 . . 4.300 2.266 1.956 2.612 . 0 0 "[ . 1 . 2]" 1 1191 1 87 ALA MB 1 97 LEU MD2 . . 6.600 4.331 4.200 4.442 . 0 0 "[ . 1 . 2]" 1 1192 1 87 ALA MB 1 98 THR H . . 7.500 3.831 3.713 3.998 . 0 0 "[ . 1 . 2]" 1 1193 1 87 ALA MB 1 98 THR HA . . 7.800 5.493 5.423 5.531 . 0 0 "[ . 1 . 2]" 1 1194 1 87 ALA MB 1 98 THR HB . . 7.900 5.042 4.970 5.091 . 0 0 "[ . 1 . 2]" 1 1195 1 87 ALA MB 1 98 THR MG . . 5.000 2.571 2.517 2.648 . 0 0 "[ . 1 . 2]" 1 1196 1 88 GLY HA3 1 90 ASP HB2 . . 5.400 5.082 4.525 5.416 0.016 5 0 "[ . 1 . 2]" 1 1197 1 89 ALA HA 1 90 ASP HB2 . . 5.500 4.947 4.541 5.430 . 0 0 "[ . 1 . 2]" 1 1198 1 89 ALA HA 1 94 LYS QE . . 6.000 4.615 3.631 5.217 . 0 0 "[ . 1 . 2]" 1 1199 1 89 ALA MB 1 90 ASP HA . . 5.100 4.189 4.093 4.260 . 0 0 "[ . 1 . 2]" 1 1200 1 90 ASP H 1 90 ASP HB2 . . 3.200 2.913 2.500 3.213 0.013 6 0 "[ . 1 . 2]" 1 1201 1 90 ASP H 1 90 ASP HB3 . . 3.200 2.758 2.352 3.193 . 0 0 "[ . 1 . 2]" 1 1202 1 90 ASP H 1 94 LYS H . . 5.100 4.307 3.766 5.117 0.017 17 0 "[ . 1 . 2]" 1 1203 1 90 ASP HA 1 90 ASP HB2 . . 2.600 2.576 2.406 2.716 0.116 20 0 "[ . 1 . 2]" 1 1204 1 90 ASP HA 1 90 ASP HB3 . . 3.000 3.040 3.009 3.055 0.055 18 0 "[ . 1 . 2]" 1 1205 1 90 ASP HA 1 91 ALA HA . . 5.300 5.050 4.518 5.365 0.065 13 0 "[ . 1 . 2]" 1 1206 1 90 ASP HA 1 91 ALA MB . . 5.600 3.896 3.744 4.058 . 0 0 "[ . 1 . 2]" 1 1207 1 90 ASP HB2 1 93 LYS H . . 5.100 4.573 4.141 5.134 0.034 20 0 "[ . 1 . 2]" 1 1208 1 90 ASP HB2 1 93 LYS HB2 . . 3.900 3.657 3.142 3.933 0.033 19 0 "[ . 1 . 2]" 1 1209 1 90 ASP HB2 1 94 LYS H . . 7.000 5.189 4.987 5.520 . 0 0 "[ . 1 . 2]" 1 1210 1 90 ASP HB3 1 93 LYS H . . 4.700 3.051 2.697 3.488 . 0 0 "[ . 1 . 2]" 1 1211 1 91 ALA HA 1 93 LYS H . . 5.600 4.366 3.660 4.892 . 0 0 "[ . 1 . 2]" 1 1212 1 91 ALA HA 1 94 LYS H . . 4.100 3.279 2.726 3.573 . 0 0 "[ . 1 . 2]" 1 1213 1 91 ALA HA 1 94 LYS QB . . 4.400 2.521 1.918 3.754 . 0 0 "[ . 1 . 2]" 1 1214 1 91 ALA HA 1 94 LYS QE . . 6.200 4.572 2.313 5.587 . 0 0 "[ . 1 . 2]" 1 1215 1 91 ALA HA 1 95 LYS H . . 4.800 4.558 3.733 4.874 0.074 17 0 "[ . 1 . 2]" 1 1216 1 92 ALA HA 1 95 LYS HB2 . . 3.800 3.398 2.737 3.825 0.025 12 0 "[ . 1 . 2]" 1 1217 1 92 ALA HA 1 96 ASP H . . 5.300 4.807 4.585 5.063 . 0 0 "[ . 1 . 2]" 1 1218 1 92 ALA MB 1 93 LYS H . . 3.700 2.425 2.141 2.976 . 0 0 "[ . 1 . 2]" 1 1219 1 92 ALA MB 1 94 LYS H . . 5.800 4.311 4.098 4.626 . 0 0 "[ . 1 . 2]" 1 1220 1 93 LYS H 1 93 LYS HB2 . . 3.100 2.299 2.217 2.388 . 0 0 "[ . 1 . 2]" 1 1221 1 93 LYS H 1 93 LYS HB3 . . 3.700 3.521 3.486 3.604 . 0 0 "[ . 1 . 2]" 1 1222 1 93 LYS H 1 94 LYS H . . 3.100 2.527 2.075 2.620 . 0 0 "[ . 1 . 2]" 1 1223 1 93 LYS H 1 94 LYS HA . . 7.000 5.097 4.719 5.182 . 0 0 "[ . 1 . 2]" 1 1224 1 93 LYS HA 1 93 LYS HB3 . . 2.500 2.564 2.507 2.619 0.119 12 0 "[ . 1 . 2]" 1 1225 1 93 LYS HA 1 95 LYS H . . 5.700 3.426 3.351 3.517 . 0 0 "[ . 1 . 2]" 1 1226 1 93 LYS HA 1 96 ASP H . . 3.600 2.816 2.610 3.057 . 0 0 "[ . 1 . 2]" 1 1227 1 93 LYS HA 1 96 ASP HB2 . . 2.900 2.418 2.042 2.925 0.025 13 0 "[ . 1 . 2]" 1 1228 1 93 LYS HA 1 96 ASP HB3 . . 4.000 3.256 2.831 3.772 . 0 0 "[ . 1 . 2]" 1 1229 1 93 LYS HB2 1 94 LYS H . . 3.500 2.909 2.685 3.063 . 0 0 "[ . 1 . 2]" 1 1230 1 93 LYS HB2 1 94 LYS HA . . 5.400 4.551 4.424 4.689 . 0 0 "[ . 1 . 2]" 1 1231 1 93 LYS HB2 1 97 LEU HB2 . . 4.500 4.599 4.563 4.627 0.127 9 0 "[ . 1 . 2]" 1 1232 1 93 LYS HB2 1 97 LEU MD1 . . 6.000 3.724 3.393 4.089 . 0 0 "[ . 1 . 2]" 1 1233 1 93 LYS HB3 1 94 LYS H . . 3.600 3.741 3.669 3.792 0.192 10 0 "[ . 1 . 2]" 1 1234 1 93 LYS HB3 1 97 LEU MD1 . . 3.700 2.341 2.030 2.697 . 0 0 "[ . 1 . 2]" 1 1235 1 93 LYS HB3 1 97 LEU MD2 . . 6.700 4.195 3.947 4.498 . 0 0 "[ . 1 . 2]" 1 1236 1 93 LYS QD 1 97 LEU MD2 . . 7.700 3.908 2.983 4.631 . 0 0 "[ . 1 . 2]" 1 1237 1 93 LYS QE 1 97 LEU MD1 . . 6.600 4.146 3.530 4.640 . 0 0 "[ . 1 . 2]" 1 1238 1 94 LYS H 1 94 LYS QB . . 3.800 2.115 1.997 2.292 . 0 0 "[ . 1 . 2]" 1 1239 1 94 LYS H 1 94 LYS QD . . 4.900 4.045 3.006 4.437 . 0 0 "[ . 1 . 2]" 1 1240 1 94 LYS H 1 96 ASP H . . 6.600 3.893 3.762 4.031 . 0 0 "[ . 1 . 2]" 1 1241 1 94 LYS H 1 97 LEU H . . 5.300 4.658 4.467 4.784 . 0 0 "[ . 1 . 2]" 1 1242 1 94 LYS H 1 97 LEU MD1 . . 8.000 5.147 4.785 5.656 . 0 0 "[ . 1 . 2]" 1 1243 1 94 LYS HA 1 97 LEU H . . 4.600 3.504 3.140 3.784 . 0 0 "[ . 1 . 2]" 1 1244 1 94 LYS HA 1 98 THR H . . 3.800 2.785 2.175 3.257 . 0 0 "[ . 1 . 2]" 1 1245 1 94 LYS HA 1 98 THR HA . . 6.800 5.192 4.689 5.495 . 0 0 "[ . 1 . 2]" 1 1246 1 94 LYS HA 1 98 THR MG . . 4.100 2.650 2.289 2.927 . 0 0 "[ . 1 . 2]" 1 1247 1 94 LYS QG 1 98 THR MG . . 7.400 3.098 2.071 4.624 . 0 0 "[ . 1 . 2]" 1 1248 1 95 LYS HA 1 95 LYS HB2 . . 2.800 2.748 2.699 2.788 . 0 0 "[ . 1 . 2]" 1 1249 1 95 LYS HA 1 95 LYS HG2 . . 2.900 2.870 2.811 2.940 0.040 10 0 "[ . 1 . 2]" 1 1250 1 95 LYS HA 1 95 LYS HG3 . . 3.400 2.078 2.059 2.095 . 0 0 "[ . 1 . 2]" 1 1251 1 95 LYS HA 1 98 THR HA . . 7.000 5.836 5.441 6.167 . 0 0 "[ . 1 . 2]" 1 1252 1 95 LYS HA 1 99 GLY H . . 3.600 3.209 3.134 3.370 . 0 0 "[ . 1 . 2]" 1 1253 1 95 LYS HA 1 99 GLY HA2 . . 4.000 2.499 2.215 2.843 . 0 0 "[ . 1 . 2]" 1 1254 1 95 LYS HA 1 99 GLY HA3 . . 4.900 2.635 2.606 2.661 . 0 0 "[ . 1 . 2]" 1 1255 1 95 LYS HA 1 103 SER HA . . 6.000 5.420 5.176 5.699 . 0 0 "[ . 1 . 2]" 1 1256 1 95 LYS HB2 1 99 GLY H . . 5.700 5.744 5.722 5.785 0.085 12 0 "[ . 1 . 2]" 1 1257 1 95 LYS QD 1 103 SER HA . . 7.400 6.651 6.606 6.677 . 0 0 "[ . 1 . 2]" 1 1258 1 95 LYS HG2 1 103 SER HA . . 5.700 5.279 5.193 5.347 . 0 0 "[ . 1 . 2]" 1 1259 1 95 LYS HG3 1 103 SER HA . . 6.300 6.342 6.320 6.366 0.066 10 0 "[ . 1 . 2]" 1 1260 1 96 ASP H 1 96 ASP HB2 . . 2.800 2.349 2.275 2.425 . 0 0 "[ . 1 . 2]" 1 1261 1 96 ASP H 1 96 ASP HB3 . . 3.300 3.301 3.244 3.324 0.024 19 0 "[ . 1 . 2]" 1 1262 1 96 ASP H 1 97 LEU H . . 3.200 1.949 1.862 2.056 . 0 0 "[ . 1 . 2]" 1 1263 1 96 ASP H 1 97 LEU HB2 . . 5.500 3.877 3.747 4.063 . 0 0 "[ . 1 . 2]" 1 1264 1 96 ASP H 1 97 LEU HB3 . . 6.000 5.324 5.224 5.451 . 0 0 "[ . 1 . 2]" 1 1265 1 96 ASP H 1 97 LEU MD2 . . 6.400 4.558 4.360 4.890 . 0 0 "[ . 1 . 2]" 1 1266 1 96 ASP H 1 97 LEU HG . . 6.400 3.924 3.666 4.331 . 0 0 "[ . 1 . 2]" 1 1267 1 96 ASP H 1 99 GLY H . . 5.300 3.786 3.305 3.925 . 0 0 "[ . 1 . 2]" 1 1268 1 96 ASP H 1 103 SER HA . . 6.600 5.104 4.763 5.439 . 0 0 "[ . 1 . 2]" 1 1269 1 96 ASP H 1 104 LYS H . . 7.000 5.163 4.945 5.373 . 0 0 "[ . 1 . 2]" 1 1270 1 96 ASP HA 1 96 ASP HB2 . . 3.000 2.919 2.897 2.935 . 0 0 "[ . 1 . 2]" 1 1271 1 96 ASP HA 1 96 ASP HB3 . . 2.900 2.857 2.837 2.880 . 0 0 "[ . 1 . 2]" 1 1272 1 96 ASP HA 1 97 LEU HA . . 5.200 4.548 4.509 4.684 . 0 0 "[ . 1 . 2]" 1 1273 1 96 ASP HA 1 97 LEU HB3 . . 7.000 6.479 6.416 6.645 . 0 0 "[ . 1 . 2]" 1 1274 1 96 ASP HA 1 97 LEU MD2 . . 7.300 4.560 4.465 4.875 . 0 0 "[ . 1 . 2]" 1 1275 1 96 ASP HA 1 98 THR H . . 5.300 4.908 4.477 5.105 . 0 0 "[ . 1 . 2]" 1 1276 1 96 ASP HA 1 103 SER HA . . 2.800 2.388 1.990 2.723 . 0 0 "[ . 1 . 2]" 1 1277 1 96 ASP HA 1 104 LYS H . . 3.200 2.707 2.439 2.886 . 0 0 "[ . 1 . 2]" 1 1278 1 96 ASP HA 1 104 LYS HG2 . . 3.600 3.283 2.913 3.623 0.023 9 0 "[ . 1 . 2]" 1 1279 1 96 ASP HA 1 105 CYS H . . 5.100 4.920 4.646 5.110 0.010 6 0 "[ . 1 . 2]" 1 1280 1 96 ASP HB3 1 97 LEU MD1 . . 6.700 4.791 4.627 4.971 . 0 0 "[ . 1 . 2]" 1 1281 1 96 ASP HB3 1 97 LEU MD2 . . 4.900 3.061 2.977 3.281 . 0 0 "[ . 1 . 2]" 1 1282 1 96 ASP HB3 1 97 LEU HG . . 4.200 3.383 3.149 3.609 . 0 0 "[ . 1 . 2]" 1 1283 1 96 ASP HB3 1 103 SER HA . . 5.500 4.924 4.482 5.323 . 0 0 "[ . 1 . 2]" 1 1284 1 96 ASP HB3 1 104 LYS H . . 5.500 4.082 3.677 4.435 . 0 0 "[ . 1 . 2]" 1 1285 1 96 ASP HB3 1 104 LYS HE2 . . 4.200 3.767 3.223 4.220 0.020 9 0 "[ . 1 . 2]" 1 1286 1 96 ASP HB3 1 104 LYS HG2 . . 4.200 2.966 2.291 3.414 . 0 0 "[ . 1 . 2]" 1 1287 1 97 LEU H 1 97 LEU HA . . 2.900 2.934 2.897 2.939 0.039 18 0 "[ . 1 . 2]" 1 1288 1 97 LEU H 1 97 LEU HB2 . . 3.100 2.515 2.304 2.608 . 0 0 "[ . 1 . 2]" 1 1289 1 97 LEU H 1 97 LEU MD2 . . 4.500 3.677 3.466 3.737 . 0 0 "[ . 1 . 2]" 1 1290 1 97 LEU H 1 98 THR H . . 2.900 1.971 1.890 2.233 . 0 0 "[ . 1 . 2]" 1 1291 1 97 LEU H 1 99 GLY H . . 4.000 2.746 2.460 3.367 . 0 0 "[ . 1 . 2]" 1 1292 1 97 LEU HA 1 97 LEU MD2 . . 3.000 1.919 1.878 1.988 . 0 0 "[ . 1 . 2]" 1 1293 1 97 LEU HA 1 97 LEU HG . . 3.400 3.182 3.098 3.216 . 0 0 "[ . 1 . 2]" 1 1294 1 97 LEU HA 1 98 THR HA . . 5.600 4.544 4.518 4.560 . 0 0 "[ . 1 . 2]" 1 1295 1 97 LEU HA 1 98 THR MG . . 6.000 4.117 4.013 4.241 . 0 0 "[ . 1 . 2]" 1 1296 1 97 LEU HA 1 99 GLY H . . 5.000 4.146 3.992 4.271 . 0 0 "[ . 1 . 2]" 1 1297 1 97 LEU HB2 1 98 THR H . . 3.700 2.727 2.574 3.044 . 0 0 "[ . 1 . 2]" 1 1298 1 97 LEU HB2 1 98 THR MG . . 4.700 2.566 2.499 2.677 . 0 0 "[ . 1 . 2]" 1 1299 1 97 LEU HB3 1 98 THR H . . 4.000 3.599 3.380 3.924 . 0 0 "[ . 1 . 2]" 1 1300 1 97 LEU HB3 1 98 THR HA . . 5.400 4.627 4.507 4.783 . 0 0 "[ . 1 . 2]" 1 1301 1 97 LEU HB3 1 99 GLY H . . 7.000 5.256 5.101 5.493 . 0 0 "[ . 1 . 2]" 1 1302 1 97 LEU MD2 1 98 THR H . . 6.500 4.614 4.579 4.693 . 0 0 "[ . 1 . 2]" 1 1303 1 97 LEU MD2 1 98 THR HA . . 7.800 5.596 5.526 5.658 . 0 0 "[ . 1 . 2]" 1 1304 1 97 LEU MD2 1 98 THR MG . . 7.700 4.475 4.411 4.524 . 0 0 "[ . 1 . 2]" 1 1305 1 97 LEU MD2 1 103 SER HA . . 8.000 6.158 5.782 6.490 . 0 0 "[ . 1 . 2]" 1 1306 1 97 LEU MD2 1 104 LYS HA . . 8.000 5.421 5.119 5.625 . 0 0 "[ . 1 . 2]" 1 1307 1 97 LEU MD2 1 104 LYS HB2 . . 5.300 3.054 2.772 3.207 . 0 0 "[ . 1 . 2]" 1 1308 1 97 LEU MD2 1 104 LYS HB3 . . 5.400 3.958 3.739 4.131 . 0 0 "[ . 1 . 2]" 1 1309 1 97 LEU MD2 1 104 LYS HD2 . . 6.300 4.685 4.246 4.986 . 0 0 "[ . 1 . 2]" 1 1310 1 97 LEU MD2 1 104 LYS HE3 . . 6.700 4.827 4.233 5.216 . 0 0 "[ . 1 . 2]" 1 1311 1 97 LEU MD2 1 104 LYS HG2 . . 6.300 3.967 3.588 4.304 . 0 0 "[ . 1 . 2]" 1 1312 1 97 LEU MD2 1 105 CYS H . . 8.000 5.190 5.061 5.311 . 0 0 "[ . 1 . 2]" 1 1313 1 98 THR H 1 98 THR MG . . 4.200 2.274 2.147 2.450 . 0 0 "[ . 1 . 2]" 1 1314 1 98 THR H 1 99 GLY H . . 2.700 2.242 2.074 2.443 . 0 0 "[ . 1 . 2]" 1 1315 1 98 THR HA 1 98 THR HB . . 2.400 2.417 2.402 2.434 0.034 4 0 "[ . 1 . 2]" 1 1316 1 98 THR HA 1 98 THR MG . . 3.200 2.624 2.585 2.656 . 0 0 "[ . 1 . 2]" 1 1317 1 98 THR HA 1 99 GLY HA3 . . 7.000 5.027 4.973 5.076 . 0 0 "[ . 1 . 2]" 1 1318 1 98 THR HA 1 103 SER HG . . 7.000 6.831 6.681 6.937 . 0 0 "[ . 1 . 2]" 1 1319 1 98 THR HA 1 105 CYS HB2 . . 6.600 5.718 5.516 5.952 . 0 0 "[ . 1 . 2]" 1 1320 1 98 THR MG 1 99 GLY H . . 6.200 4.062 3.983 4.148 . 0 0 "[ . 1 . 2]" 1 1321 1 99 GLY H 1 100 CYS H . . 5.600 4.661 4.644 4.670 . 0 0 "[ . 1 . 2]" 1 1322 1 99 GLY H 1 103 SER HA . . 5.800 4.895 4.722 5.041 . 0 0 "[ . 1 . 2]" 1 1323 1 99 GLY H 1 103 SER HB3 . . 4.100 2.881 2.720 3.034 . 0 0 "[ . 1 . 2]" 1 1324 1 99 GLY H 1 103 SER HG . . 5.300 5.066 4.823 5.279 . 0 0 "[ . 1 . 2]" 1 1325 1 99 GLY H 1 104 LYS H . . 6.800 4.611 4.482 4.745 . 0 0 "[ . 1 . 2]" 1 1326 1 99 GLY HA3 1 103 SER HA . . 7.000 4.043 4.010 4.071 . 0 0 "[ . 1 . 2]" 1 1327 1 99 GLY HA3 1 103 SER HG . . 5.100 4.237 4.016 4.637 . 0 0 "[ . 1 . 2]" 1 1328 1 100 CYS H 1 101 LYS HA . . 7.000 4.852 4.604 4.974 . 0 0 "[ . 1 . 2]" 1 1329 1 100 CYS HA 1 106 HIS QB . . 6.500 4.092 3.866 4.304 . 0 0 "[ . 1 . 2]" 1 1330 1 100 CYS HA 1 106 HIS HD2 . . 3.600 3.310 3.132 3.499 . 0 0 "[ . 1 . 2]" 1 1331 1 101 LYS HA 1 101 LYS HB2 . . 2.800 2.470 2.361 2.643 . 0 0 "[ . 1 . 2]" 1 1332 1 101 LYS HA 1 101 LYS HG2 . . 2.700 2.613 2.365 2.729 0.029 12 0 "[ . 1 . 2]" 1 1333 1 101 LYS HA 1 101 LYS HG3 . . 3.600 2.983 2.342 3.601 0.001 20 0 "[ . 1 . 2]" 1 1334 1 101 LYS HA 1 102 LYS H . . 3.000 2.252 2.214 2.325 . 0 0 "[ . 1 . 2]" 1 1335 1 101 LYS HA 1 103 SER H . . 4.000 3.705 3.427 3.912 . 0 0 "[ . 1 . 2]" 1 1336 1 101 LYS HA 1 106 HIS H . . 6.700 5.110 4.875 5.351 . 0 0 "[ . 1 . 2]" 1 1337 1 101 LYS HA 1 106 HIS HD1 . . 7.000 6.386 6.059 6.688 . 0 0 "[ . 1 . 2]" 1 1338 1 101 LYS HA 1 106 HIS HD2 . . 5.900 5.116 4.888 5.355 . 0 0 "[ . 1 . 2]" 1 1339 1 101 LYS HB2 1 102 LYS H . . 4.200 4.183 4.090 4.245 0.045 9 0 "[ . 1 . 2]" 1 1340 1 101 LYS HG2 1 102 LYS H . . 4.200 2.316 2.278 2.432 . 0 0 "[ . 1 . 2]" 1 1341 1 101 LYS HG2 1 102 LYS HA . . 4.000 3.815 3.653 4.004 0.004 2 0 "[ . 1 . 2]" 1 1342 1 101 LYS HG3 1 102 LYS H . . 5.000 3.560 3.164 4.148 . 0 0 "[ . 1 . 2]" 1 1343 1 102 LYS H 1 102 LYS HA . . 2.900 2.213 2.207 2.232 . 0 0 "[ . 1 . 2]" 1 1344 1 102 LYS H 1 102 LYS QG . . 4.900 3.417 2.634 4.129 . 0 0 "[ . 1 . 2]" 1 1345 1 102 LYS H 1 107 GLU HA . . 3.400 2.854 2.027 3.200 . 0 0 "[ . 1 . 2]" 1 1346 1 102 LYS HA 1 102 LYS QD . . 4.900 3.569 2.275 4.089 . 0 0 "[ . 1 . 2]" 1 1347 1 102 LYS HA 1 102 LYS QG . . 4.000 2.195 1.940 2.747 . 0 0 "[ . 1 . 2]" 1 1348 1 102 LYS HA 1 103 SER H . . 3.200 2.759 2.683 2.864 . 0 0 "[ . 1 . 2]" 1 1349 1 102 LYS HA 1 103 SER HA . . 7.000 4.385 4.348 4.430 . 0 0 "[ . 1 . 2]" 1 1350 1 102 LYS HA 1 107 GLU H . . 7.000 5.400 5.156 5.584 . 0 0 "[ . 1 . 2]" 1 1351 1 102 LYS HA 1 107 GLU HA . . 3.600 2.669 2.340 2.856 . 0 0 "[ . 1 . 2]" 1 1352 1 102 LYS HA 1 107 GLU QG . . 6.700 4.251 2.679 5.758 . 0 0 "[ . 1 . 2]" 1 1353 1 102 LYS QB 1 103 SER HA . . 7.900 4.378 4.297 4.631 . 0 0 "[ . 1 . 2]" 1 1354 1 102 LYS QB 1 107 GLU HA . . 6.500 4.744 4.206 4.971 . 0 0 "[ . 1 . 2]" 1 1355 1 102 LYS QG 1 103 SER HA . . 8.000 5.294 4.166 6.024 . 0 0 "[ . 1 . 2]" 1 1356 1 102 LYS QG 1 107 GLU HA . . 6.600 4.125 3.825 4.488 . 0 0 "[ . 1 . 2]" 1 1357 1 103 SER H 1 103 SER HB3 . . 4.000 3.507 3.371 3.603 . 0 0 "[ . 1 . 2]" 1 1358 1 103 SER H 1 103 SER HG . . 3.800 2.104 2.063 2.173 . 0 0 "[ . 1 . 2]" 1 1359 1 103 SER H 1 104 LYS H . . 5.000 4.381 4.355 4.393 . 0 0 "[ . 1 . 2]" 1 1360 1 103 SER H 1 105 CYS H . . 5.000 4.488 4.383 4.593 . 0 0 "[ . 1 . 2]" 1 1361 1 103 SER H 1 106 HIS H . . 4.000 3.631 3.509 3.824 . 0 0 "[ . 1 . 2]" 1 1362 1 103 SER H 1 106 HIS QB . . 5.700 3.565 3.420 3.724 . 0 0 "[ . 1 . 2]" 1 1363 1 103 SER H 1 107 GLU HA . . 3.600 2.947 2.728 3.115 . 0 0 "[ . 1 . 2]" 1 1364 1 103 SER HA 1 103 SER HB2 . . 2.700 2.752 2.642 2.790 0.090 4 0 "[ . 1 . 2]" 1 1365 1 103 SER HA 1 103 SER HB3 . . 2.700 2.276 2.263 2.329 . 0 0 "[ . 1 . 2]" 1 1366 1 103 SER HA 1 103 SER HG . . 3.800 3.612 3.526 3.662 . 0 0 "[ . 1 . 2]" 1 1367 1 103 SER HA 1 104 LYS H . . 2.900 2.780 2.756 2.806 . 0 0 "[ . 1 . 2]" 1 1368 1 103 SER HA 1 104 LYS HB2 . . 5.400 5.052 4.909 5.177 . 0 0 "[ . 1 . 2]" 1 1369 1 103 SER HA 1 104 LYS HB3 . . 7.000 5.987 5.963 6.008 . 0 0 "[ . 1 . 2]" 1 1370 1 103 SER HA 1 104 LYS HG2 . . 4.300 3.888 3.682 4.148 . 0 0 "[ . 1 . 2]" 1 1371 1 103 SER HA 1 105 CYS H . . 4.400 4.423 4.380 4.451 0.051 3 0 "[ . 1 . 2]" 1 1372 1 103 SER HA 1 106 HIS H . . 5.900 5.123 5.037 5.262 . 0 0 "[ . 1 . 2]" 1 1373 1 103 SER HA 1 107 GLU HA . . 6.400 5.386 5.254 5.567 . 0 0 "[ . 1 . 2]" 1 1374 1 103 SER HB2 1 103 SER HG . . 2.600 2.401 2.345 2.533 . 0 0 "[ . 1 . 2]" 1 1375 1 103 SER HB2 1 104 LYS H . . 3.000 1.968 1.946 1.997 . 0 0 "[ . 1 . 2]" 1 1376 1 103 SER HB2 1 105 CYS H . . 3.700 2.273 2.214 2.434 . 0 0 "[ . 1 . 2]" 1 1377 1 103 SER HB2 1 106 HIS H . . 4.700 3.233 3.149 3.564 . 0 0 "[ . 1 . 2]" 1 1378 1 103 SER HB3 1 104 LYS H . . 3.400 3.095 2.993 3.328 . 0 0 "[ . 1 . 2]" 1 1379 1 103 SER HB3 1 105 CYS H . . 4.500 4.019 3.965 4.099 . 0 0 "[ . 1 . 2]" 1 1380 1 103 SER HB3 1 106 HIS H . . 5.600 4.438 4.371 4.522 . 0 0 "[ . 1 . 2]" 1 1381 1 103 SER HG 1 104 LYS H . . 4.300 3.968 3.784 4.026 . 0 0 "[ . 1 . 2]" 1 1382 1 103 SER HG 1 105 CYS H . . 3.800 3.268 3.006 3.379 . 0 0 "[ . 1 . 2]" 1 1383 1 103 SER HG 1 106 HIS H . . 3.400 2.000 1.975 2.072 . 0 0 "[ . 1 . 2]" 1 1384 1 104 LYS H 1 104 LYS HB2 . . 3.000 2.340 2.212 2.456 . 0 0 "[ . 1 . 2]" 1 1385 1 104 LYS H 1 104 LYS HB3 . . 3.600 3.539 3.489 3.563 . 0 0 "[ . 1 . 2]" 1 1386 1 104 LYS H 1 104 LYS HD2 . . 5.300 4.692 4.414 5.249 . 0 0 "[ . 1 . 2]" 1 1387 1 104 LYS H 1 104 LYS HD3 . . 5.500 4.468 4.081 4.709 . 0 0 "[ . 1 . 2]" 1 1388 1 104 LYS H 1 104 LYS HE2 . . 7.000 5.369 4.544 5.611 . 0 0 "[ . 1 . 2]" 1 1389 1 104 LYS H 1 104 LYS HG2 . . 3.100 2.515 2.223 2.785 . 0 0 "[ . 1 . 2]" 1 1390 1 104 LYS H 1 104 LYS HG3 . . 4.100 3.388 3.207 3.666 . 0 0 "[ . 1 . 2]" 1 1391 1 104 LYS H 1 105 CYS H . . 3.000 2.426 2.412 2.433 . 0 0 "[ . 1 . 2]" 1 1392 1 104 LYS H 1 105 CYS HA . . 7.000 5.017 5.000 5.025 . 0 0 "[ . 1 . 2]" 1 1393 1 104 LYS H 1 106 HIS H . . 5.000 4.440 4.354 4.581 . 0 0 "[ . 1 . 2]" 1 1394 1 104 LYS HA 1 104 LYS HB3 . . 2.800 2.530 2.462 2.616 . 0 0 "[ . 1 . 2]" 1 1395 1 104 LYS HA 1 104 LYS HD2 . . 3.700 2.953 2.452 3.779 0.079 9 0 "[ . 1 . 2]" 1 1396 1 104 LYS HA 1 104 LYS HD3 . . 3.200 2.801 2.328 3.034 . 0 0 "[ . 1 . 2]" 1 1397 1 104 LYS HA 1 104 LYS HE2 . . 5.300 4.837 2.943 5.068 . 0 0 "[ . 1 . 2]" 1 1398 1 104 LYS HA 1 104 LYS HG3 . . 4.000 3.683 3.618 3.761 . 0 0 "[ . 1 . 2]" 1 1399 1 104 LYS HA 1 105 CYS H . . 3.600 3.540 3.531 3.550 . 0 0 "[ . 1 . 2]" 1 1400 1 104 LYS HA 1 106 HIS H . . 5.500 5.304 5.177 5.452 . 0 0 "[ . 1 . 2]" 1 1401 1 104 LYS HB2 1 105 CYS H . . 3.900 3.067 3.029 3.143 . 0 0 "[ . 1 . 2]" 1 1402 1 104 LYS HB3 1 105 CYS H . . 4.300 3.944 3.826 4.036 . 0 0 "[ . 1 . 2]" 1 1403 1 104 LYS HG2 1 105 CYS H . . 6.600 4.561 4.366 4.751 . 0 0 "[ . 1 . 2]" 1 1404 1 104 LYS HG2 1 106 HIS H . . 7.000 6.696 6.488 6.959 . 0 0 "[ . 1 . 2]" 1 1405 1 105 CYS H 1 105 CYS HB2 . . 3.200 2.497 2.404 2.639 . 0 0 "[ . 1 . 2]" 1 1406 1 105 CYS H 1 106 HIS H . . 2.600 2.603 2.556 2.674 0.074 8 0 "[ . 1 . 2]" 1 1407 1 105 CYS H 1 106 HIS HD2 . . 6.700 5.725 5.581 5.836 . 0 0 "[ . 1 . 2]" 1 1408 1 105 CYS HA 1 105 CYS HB3 . . 2.900 2.464 2.392 2.518 . 0 0 "[ . 1 . 2]" 1 1409 1 105 CYS HB2 1 106 HIS H . . 3.200 2.177 2.058 2.281 . 0 0 "[ . 1 . 2]" 1 1410 1 106 HIS H 1 106 HIS HD1 . . 5.600 4.410 4.277 4.540 . 0 0 "[ . 1 . 2]" 1 1411 1 106 HIS H 1 106 HIS HD2 . . 5.100 3.644 3.534 3.784 . 0 0 "[ . 1 . 2]" 1 1412 1 106 HIS H 1 107 GLU H . . 4.800 4.541 4.476 4.585 . 0 0 "[ . 1 . 2]" 1 1413 1 106 HIS H 1 107 GLU QG . . 7.500 4.879 4.157 6.071 . 0 0 "[ . 1 . 2]" 1 1414 1 106 HIS HA 1 106 HIS HD1 . . 2.600 2.446 2.388 2.505 . 0 0 "[ . 1 . 2]" 1 1415 1 106 HIS HA 1 106 HIS HD2 . . 4.900 4.666 4.601 4.718 . 0 0 "[ . 1 . 2]" 1 1416 1 106 HIS HA 1 106 HIS HE1 . . 5.000 4.753 4.731 4.765 . 0 0 "[ . 1 . 2]" 1 1417 1 106 HIS HA 1 107 GLU H . . 2.300 2.258 2.197 2.317 0.017 18 0 "[ . 1 . 2]" 1 1418 1 106 HIS HA 1 107 GLU QG . . 4.800 3.933 3.698 4.255 . 0 0 "[ . 1 . 2]" 1 1419 1 106 HIS QB 1 107 GLU H . . 6.300 3.017 2.814 3.290 . 0 0 "[ . 1 . 2]" 1 1420 1 106 HIS HD1 1 107 GLU H . . 4.100 4.011 3.926 4.106 0.006 6 0 "[ . 1 . 2]" 1 1421 1 107 GLU H 1 107 GLU QB . . 3.300 2.604 2.330 2.914 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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