NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
306414 | 1p7a | 5851 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p7a 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 540 _Distance_constraint_stats_list.Viol_count 1229 _Distance_constraint_stats_list.Viol_total 2096.468 _Distance_constraint_stats_list.Viol_max 0.811 _Distance_constraint_stats_list.Viol_rms 0.0445 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0097 _Distance_constraint_stats_list.Viol_average_violations_only 0.0853 _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 3 THR 1.759 0.411 1 0 "[ . 1 . 2]" 1 4 ARG 1.784 0.411 1 0 "[ . 1 . 2]" 1 5 GLY 0.206 0.105 9 0 "[ . 1 . 2]" 1 6 SER 5.314 0.498 4 0 "[ . 1 . 2]" 1 7 THR 2.589 0.373 16 0 "[ . 1 . 2]" 1 8 GLY 2.112 0.310 14 0 "[ . 1 . 2]" 1 9 ILE 4.770 0.262 4 0 "[ . 1 . 2]" 1 10 LYS 2.563 0.698 14 1 "[ . 1 +. 2]" 1 11 PRO 1.907 0.540 14 1 "[ . 1 +. 2]" 1 12 PHE 3.541 0.158 6 0 "[ . 1 . 2]" 1 13 GLN 16.471 0.660 4 6 "[* +. 1* * . * -]" 1 14 CYS 8.318 0.359 17 0 "[ . 1 . 2]" 1 15 PRO 0.926 0.139 17 0 "[ . 1 . 2]" 1 16 ASP 4.053 0.158 2 0 "[ . 1 . 2]" 1 17 CYS 4.384 0.442 9 0 "[ . 1 . 2]" 1 18 ASP 3.642 0.442 9 0 "[ . 1 . 2]" 1 19 ARG 13.986 0.625 10 2 "[ . + - . 2]" 1 20 SER 6.639 0.625 10 2 "[ . + - . 2]" 1 21 PHE 10.147 0.315 19 0 "[ . 1 . 2]" 1 22 SER 2.050 0.209 15 0 "[ . 1 . 2]" 1 23 ARG 13.072 0.540 11 4 "[ . 1+* *. - 2]" 1 24 SER 0.424 0.064 17 0 "[ . 1 . 2]" 1 25 ASP 9.748 0.578 15 1 "[ . 1 + 2]" 1 26 HIS 6.619 0.578 15 1 "[ . 1 + 2]" 1 27 LEU 1.034 0.075 9 0 "[ . 1 . 2]" 1 28 ALA 2.661 0.084 20 0 "[ . 1 . 2]" 1 29 LEU 2.112 0.118 9 0 "[ . 1 . 2]" 1 30 HIS 1.295 0.154 3 0 "[ . 1 . 2]" 1 31 ARG 9.252 0.198 10 0 "[ . 1 . 2]" 1 32 LYS 2.345 0.124 5 0 "[ . 1 . 2]" 1 33 ARG 4.224 0.431 2 0 "[ . 1 . 2]" 1 34 HIS 3.907 0.117 16 0 "[ . 1 . 2]" 1 35 MET 3.167 0.504 19 1 "[ . 1 . +2]" 1 36 LEU 2.788 0.811 11 1 "[ . 1+ . 2]" 1 37 VAL 1.446 0.140 2 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 3 THR H 1 3 THR HA 2.900 . 3.900 2.630 2.259 2.949 . 0 0 "[ . 1 . 2]" 1 2 1 3 THR H 1 3 THR HB 3.000 . 4.100 3.468 2.762 3.931 . 0 0 "[ . 1 . 2]" 1 3 1 3 THR H 1 18 ASP HA 2.400 . 6.000 4.947 2.899 6.111 0.111 15 0 "[ . 1 . 2]" 1 4 1 3 THR HA 1 3 THR HB 2.900 . 4.000 2.867 2.379 3.019 . 0 0 "[ . 1 . 2]" 1 5 1 3 THR HA 1 4 ARG H 2.300 . 3.000 2.756 2.136 3.411 0.411 1 0 "[ . 1 . 2]" 1 6 1 3 THR HB 1 4 ARG H 3.300 . 4.700 3.567 1.837 4.372 0.063 13 0 "[ . 1 . 2]" 1 7 1 4 ARG H 1 4 ARG HA 2.300 . 3.000 2.648 2.259 2.932 . 0 0 "[ . 1 . 2]" 1 8 1 4 ARG H 1 4 ARG HB2 3.700 . 5.400 3.078 2.174 3.775 . 0 0 "[ . 1 . 2]" 1 9 1 4 ARG H 1 4 ARG HB3 3.100 . 4.300 3.623 2.534 4.150 . 0 0 "[ . 1 . 2]" 1 10 1 4 ARG H 1 4 ARG QD 4.200 . 6.400 4.176 2.618 5.215 . 0 0 "[ . 1 . 2]" 1 11 1 4 ARG H 1 4 ARG QG 2.700 . 3.600 2.912 1.856 3.692 0.092 18 0 "[ . 1 . 2]" 1 12 1 4 ARG HA 1 4 ARG HB2 3.000 . 4.100 2.868 2.426 3.026 . 0 0 "[ . 1 . 2]" 1 13 1 4 ARG HA 1 4 ARG HB3 2.600 . 3.400 2.579 2.266 2.901 . 0 0 "[ . 1 . 2]" 1 14 1 4 ARG HA 1 4 ARG HE 6.500 . 7.000 4.519 3.012 5.494 . 0 0 "[ . 1 . 2]" 1 15 1 4 ARG HA 1 4 ARG QG 2.800 . 3.800 2.547 2.019 3.382 . 0 0 "[ . 1 . 2]" 1 16 1 4 ARG HB2 1 4 ARG QD 2.800 . 3.800 2.721 1.940 3.450 . 0 0 "[ . 1 . 2]" 1 17 1 4 ARG HB2 1 4 ARG HE 3.600 . 5.300 3.561 1.745 4.774 0.155 20 0 "[ . 1 . 2]" 1 18 1 4 ARG HB3 1 4 ARG QD 2.900 . 3.900 2.667 2.026 3.574 . 0 0 "[ . 1 . 2]" 1 19 1 4 ARG HB3 1 4 ARG QG 2.300 . 3.000 2.325 2.132 2.521 . 0 0 "[ . 1 . 2]" 1 20 1 4 ARG HE 1 4 ARG QG 3.300 . 4.700 2.580 2.099 3.266 . 0 0 "[ . 1 . 2]" 1 21 1 5 GLY H 1 5 GLY QA 2.300 . 3.000 2.334 2.196 2.499 . 0 0 "[ . 1 . 2]" 1 22 1 5 GLY QA 1 6 SER H 2.200 . 2.800 2.461 2.129 2.862 0.062 20 0 "[ . 1 . 2]" 1 23 1 5 GLY QA 1 7 THR H 3.800 . 5.600 4.309 3.316 5.705 0.105 9 0 "[ . 1 . 2]" 1 24 1 6 SER H 1 6 SER HA 2.500 . 3.300 2.771 2.215 2.945 . 0 0 "[ . 1 . 2]" 1 25 1 6 SER H 1 6 SER HB2 2.800 . 3.800 3.235 2.766 3.824 0.024 16 0 "[ . 1 . 2]" 1 26 1 6 SER H 1 6 SER HB3 2.600 . 3.500 3.573 2.090 3.998 0.498 4 0 "[ . 1 . 2]" 1 27 1 6 SER HA 1 6 SER HB2 2.900 . 4.000 2.885 2.248 3.026 . 0 0 "[ . 1 . 2]" 1 28 1 6 SER HA 1 6 SER HB3 3.000 . 4.100 2.333 2.237 2.881 . 0 0 "[ . 1 . 2]" 1 29 1 6 SER HA 1 7 THR H 2.400 . 3.100 2.713 2.147 3.473 0.373 16 0 "[ . 1 . 2]" 1 30 1 6 SER HB2 1 7 THR H 3.200 . 4.500 3.685 1.757 4.367 0.143 9 0 "[ . 1 . 2]" 1 31 1 6 SER HB3 1 7 THR H 3.200 . 4.500 4.054 2.351 4.598 0.098 1 0 "[ . 1 . 2]" 1 32 1 7 THR H 1 7 THR HA 2.500 . 3.300 2.910 2.857 2.947 . 0 0 "[ . 1 . 2]" 1 33 1 7 THR H 1 7 THR HB 2.600 . 6.000 3.497 3.337 3.747 . 0 0 "[ . 1 . 2]" 1 34 1 7 THR HA 1 8 GLY H 2.300 . 2.900 2.311 2.136 2.428 . 0 0 "[ . 1 . 2]" 1 35 1 7 THR HA 1 9 ILE H 3.500 . 5.000 4.602 3.642 5.262 0.262 4 0 "[ . 1 . 2]" 1 36 1 7 THR HB 1 8 GLY H 2.900 . 6.000 4.129 3.929 4.237 . 0 0 "[ . 1 . 2]" 1 37 1 8 GLY H 1 8 GLY QA 2.100 . 2.700 2.250 2.176 2.415 . 0 0 "[ . 1 . 2]" 1 38 1 8 GLY H 1 9 ILE H 2.600 . 3.500 2.935 1.910 3.587 0.087 18 0 "[ . 1 . 2]" 1 39 1 8 GLY H 1 18 ASP HA 3.600 . 5.200 4.850 3.522 5.510 0.310 14 0 "[ . 1 . 2]" 1 40 1 8 GLY QA 1 9 ILE H 2.000 . 2.500 2.468 2.159 2.711 0.211 7 0 "[ . 1 . 2]" 1 41 1 8 GLY QA 1 9 ILE HB 3.100 . 6.000 4.903 4.704 5.073 . 0 0 "[ . 1 . 2]" 1 42 1 8 GLY QA 1 9 ILE HG13 3.400 . 4.900 3.701 3.056 4.151 . 0 0 "[ . 1 . 2]" 1 43 1 9 ILE H 1 9 ILE HA 2.400 . 3.100 2.892 2.866 2.910 . 0 0 "[ . 1 . 2]" 1 44 1 9 ILE H 1 9 ILE HB 2.100 . 2.700 2.771 2.713 2.825 0.125 12 0 "[ . 1 . 2]" 1 45 1 9 ILE H 1 9 ILE HG12 2.600 . 3.400 3.244 3.071 3.402 0.002 3 0 "[ . 1 . 2]" 1 46 1 9 ILE H 1 9 ILE HG13 2.500 . 3.300 1.774 1.677 1.939 0.023 12 0 "[ . 1 . 2]" 1 47 1 9 ILE H 1 13 GLN HE21 2.900 . 6.000 4.384 2.148 5.691 . 0 0 "[ . 1 . 2]" 1 48 1 9 ILE H 1 18 ASP HA 2.700 . 6.000 5.957 5.642 6.152 0.152 9 0 "[ . 1 . 2]" 1 49 1 9 ILE H 1 20 SER HB3 3.100 . 4.300 3.210 2.137 3.787 . 0 0 "[ . 1 . 2]" 1 50 1 9 ILE HA 1 9 ILE HB 2.200 . 6.000 2.997 2.983 3.012 . 0 0 "[ . 1 . 2]" 1 51 1 9 ILE HA 1 9 ILE HG13 2.700 . 3.600 3.102 2.988 3.243 . 0 0 "[ . 1 . 2]" 1 52 1 9 ILE HA 1 10 LYS H 2.000 . 2.500 2.411 2.311 2.532 0.032 14 0 "[ . 1 . 2]" 1 53 1 9 ILE HB 1 9 ILE HG12 2.500 . 3.300 2.999 2.966 3.029 . 0 0 "[ . 1 . 2]" 1 54 1 9 ILE HB 1 9 ILE HG13 2.800 . 3.700 2.598 2.484 2.690 . 0 0 "[ . 1 . 2]" 1 55 1 9 ILE HB 1 10 LYS H 2.900 . 3.900 3.321 2.997 3.509 . 0 0 "[ . 1 . 2]" 1 56 1 9 ILE HG13 1 10 LYS H 3.500 . 5.000 4.898 4.798 4.989 . 0 0 "[ . 1 . 2]" 1 57 1 10 LYS H 1 10 LYS HA 2.600 . 3.500 2.259 2.218 2.276 . 0 0 "[ . 1 . 2]" 1 58 1 10 LYS H 1 10 LYS HB2 2.100 . 6.000 3.246 3.109 3.477 . 0 0 "[ . 1 . 2]" 1 59 1 10 LYS H 1 10 LYS HD2 3.900 . 5.800 4.275 3.478 4.826 . 0 0 "[ . 1 . 2]" 1 60 1 10 LYS H 1 10 LYS HE3 3.500 . 5.000 4.433 3.237 5.698 0.698 14 1 "[ . 1 +. 2]" 1 61 1 10 LYS H 1 10 LYS HG2 4.000 . 6.000 4.645 4.309 4.859 . 0 0 "[ . 1 . 2]" 1 62 1 10 LYS H 1 10 LYS HG3 4.000 . 6.100 3.270 2.776 3.581 . 0 0 "[ . 1 . 2]" 1 63 1 10 LYS H 1 11 PRO HD2 2.900 . 6.000 4.552 4.452 4.864 . 0 0 "[ . 1 . 2]" 1 64 1 10 LYS H 1 11 PRO HD3 3.300 . 4.600 4.336 3.784 4.483 . 0 0 "[ . 1 . 2]" 1 65 1 10 LYS H 1 20 SER HB3 3.200 . 4.500 4.318 4.021 4.520 0.020 14 0 "[ . 1 . 2]" 1 66 1 10 LYS HA 1 10 LYS QB 2.200 . 2.800 2.503 2.408 2.529 . 0 0 "[ . 1 . 2]" 1 67 1 10 LYS HA 1 10 LYS HD2 3.400 . 4.800 4.102 3.707 4.373 . 0 0 "[ . 1 . 2]" 1 68 1 10 LYS HA 1 10 LYS HG2 2.600 . 3.400 3.066 2.842 3.161 . 0 0 "[ . 1 . 2]" 1 69 1 10 LYS HA 1 10 LYS HG3 2.400 . 3.100 2.111 1.993 2.402 . 0 0 "[ . 1 . 2]" 1 70 1 10 LYS HA 1 11 PRO HD2 2.100 . 2.600 2.315 2.208 2.677 0.077 14 0 "[ . 1 . 2]" 1 71 1 10 LYS HA 1 11 PRO HD3 2.100 . 2.700 2.353 1.774 2.478 . 0 0 "[ . 1 . 2]" 1 72 1 10 LYS HA 1 11 PRO HG2 2.900 . 6.000 4.429 4.366 4.547 . 0 0 "[ . 1 . 2]" 1 73 1 10 LYS HA 1 11 PRO HG3 2.900 . 6.000 4.456 3.931 4.537 . 0 0 "[ . 1 . 2]" 1 74 1 10 LYS HA 1 22 SER HA 3.200 . 4.400 4.383 4.111 4.509 0.109 4 0 "[ . 1 . 2]" 1 75 1 10 LYS HB2 1 10 LYS HE2 3.000 . 4.100 3.195 2.341 3.776 . 0 0 "[ . 1 . 2]" 1 76 1 10 LYS QB 1 10 LYS HG3 2.300 . 3.000 2.522 2.488 2.529 . 0 0 "[ . 1 . 2]" 1 77 1 10 LYS QB 1 11 PRO HD3 2.400 . 6.000 3.794 3.412 3.969 . 0 0 "[ . 1 . 2]" 1 78 1 10 LYS QB 1 20 SER HA 3.300 . 4.700 2.960 2.658 3.424 . 0 0 "[ . 1 . 2]" 1 79 1 10 LYS QB 1 21 PHE H 2.600 . 3.400 2.504 2.380 2.642 . 0 0 "[ . 1 . 2]" 1 80 1 10 LYS HB2 1 20 SER HB3 3.100 . 4.300 2.455 2.020 3.276 . 0 0 "[ . 1 . 2]" 1 81 1 10 LYS HB3 1 10 LYS HG2 2.400 . 3.100 2.218 2.208 2.263 . 0 0 "[ . 1 . 2]" 1 82 1 10 LYS HB3 1 11 PRO HD2 2.800 . 3.800 2.592 2.226 2.788 . 0 0 "[ . 1 . 2]" 1 83 1 10 LYS HB3 1 12 PHE H 2.800 . 3.800 2.452 2.289 2.692 . 0 0 "[ . 1 . 2]" 1 84 1 10 LYS HB3 1 22 SER HA 2.700 . 3.600 3.294 2.375 3.651 0.051 4 0 "[ . 1 . 2]" 1 85 1 10 LYS HD2 1 10 LYS QE 2.500 . 3.300 2.235 2.137 2.488 . 0 0 "[ . 1 . 2]" 1 86 1 10 LYS HD2 1 22 SER HB2 3.200 . 4.500 3.305 2.674 4.339 . 0 0 "[ . 1 . 2]" 1 87 1 10 LYS HD3 1 10 LYS QE 2.600 . 3.500 2.433 2.195 2.531 . 0 0 "[ . 1 . 2]" 1 88 1 10 LYS HD3 1 22 SER H 3.300 . 4.600 3.495 2.783 4.153 . 0 0 "[ . 1 . 2]" 1 89 1 10 LYS QE 1 10 LYS HG2 2.500 . 3.300 2.962 2.259 3.400 0.100 13 0 "[ . 1 . 2]" 1 90 1 10 LYS QE 1 10 LYS HG3 2.500 . 3.300 2.185 1.946 2.549 . 0 0 "[ . 1 . 2]" 1 91 1 10 LYS HG2 1 11 PRO HD2 3.300 . 4.600 2.685 2.405 3.257 . 0 0 "[ . 1 . 2]" 1 92 1 10 LYS HG2 1 11 PRO HD3 3.300 . 4.700 4.127 3.645 4.599 . 0 0 "[ . 1 . 2]" 1 93 1 10 LYS HG2 1 20 SER HB3 3.000 . 6.000 5.117 4.690 5.607 . 0 0 "[ . 1 . 2]" 1 94 1 10 LYS HG3 1 20 SER HB3 3.200 . 6.000 4.894 4.434 5.284 . 0 0 "[ . 1 . 2]" 1 95 1 10 LYS HG3 1 22 SER H 3.600 . 5.200 4.964 4.634 5.204 0.004 18 0 "[ . 1 . 2]" 1 96 1 10 LYS HG3 1 22 SER HA 3.000 . 4.100 3.815 3.434 4.309 0.209 15 0 "[ . 1 . 2]" 1 97 1 11 PRO HA 1 11 PRO HB3 2.400 . 3.100 2.281 2.257 2.306 . 0 0 "[ . 1 . 2]" 1 98 1 11 PRO HA 1 11 PRO HD3 3.100 . 4.300 3.475 3.349 3.728 . 0 0 "[ . 1 . 2]" 1 99 1 11 PRO HA 1 11 PRO HG2 2.800 . 3.800 3.856 3.832 3.983 0.183 6 0 "[ . 1 . 2]" 1 100 1 11 PRO HA 1 12 PHE H 2.200 . 6.000 3.461 3.397 3.513 . 0 0 "[ . 1 . 2]" 1 101 1 11 PRO HA 1 12 PHE HA 3.000 . 6.000 4.535 4.504 4.562 . 0 0 "[ . 1 . 2]" 1 102 1 11 PRO HA 1 12 PHE QB 3.300 . 6.000 5.407 5.348 5.450 . 0 0 "[ . 1 . 2]" 1 103 1 11 PRO HB2 1 11 PRO HD2 2.600 . 6.000 3.991 2.974 4.074 . 0 0 "[ . 1 . 2]" 1 104 1 11 PRO HB2 1 11 PRO HD3 3.100 . 4.300 3.884 3.855 3.992 . 0 0 "[ . 1 . 2]" 1 105 1 11 PRO HB2 1 11 PRO HG3 2.500 . 3.300 2.685 2.654 2.988 . 0 0 "[ . 1 . 2]" 1 106 1 11 PRO HB2 1 12 PHE H 3.000 . 4.200 3.503 2.769 3.748 . 0 0 "[ . 1 . 2]" 1 107 1 11 PRO HB3 1 11 PRO HD2 2.600 . 6.000 3.877 3.856 3.983 . 0 0 "[ . 1 . 2]" 1 108 1 11 PRO HB3 1 11 PRO HD3 2.600 . 3.500 3.004 2.883 4.040 0.540 14 1 "[ . 1 +. 2]" 1 109 1 11 PRO HB3 1 12 PHE H 2.900 . 6.000 4.310 4.062 4.412 . 0 0 "[ . 1 . 2]" 1 110 1 11 PRO HD2 1 11 PRO HG2 2.700 . 3.600 2.314 2.225 2.331 . 0 0 "[ . 1 . 2]" 1 111 1 11 PRO HD2 1 11 PRO HG3 2.700 . 3.600 2.699 2.661 2.993 . 0 0 "[ . 1 . 2]" 1 112 1 11 PRO HD2 1 12 PHE H 2.800 . 3.800 2.958 2.598 3.171 . 0 0 "[ . 1 . 2]" 1 113 1 11 PRO HD2 1 22 SER HA 2.600 . 3.400 2.561 1.971 3.068 . 0 0 "[ . 1 . 2]" 1 114 1 11 PRO HD3 1 11 PRO HG2 2.500 . 3.300 2.974 2.683 3.003 . 0 0 "[ . 1 . 2]" 1 115 1 11 PRO HD3 1 11 PRO HG3 2.400 . 3.100 2.318 2.246 2.335 . 0 0 "[ . 1 . 2]" 1 116 1 11 PRO HD3 1 12 PHE H 2.800 . 6.000 4.018 3.868 4.138 . 0 0 "[ . 1 . 2]" 1 117 1 11 PRO HD3 1 12 PHE QB 2.800 . 6.000 5.941 5.787 6.046 0.046 15 0 "[ . 1 . 2]" 1 118 1 11 PRO HD3 1 22 SER HA 2.300 . 6.000 4.160 3.446 4.800 . 0 0 "[ . 1 . 2]" 1 119 1 11 PRO HG2 1 12 PHE H 3.000 . 4.100 2.885 2.678 4.012 . 0 0 "[ . 1 . 2]" 1 120 1 11 PRO HG2 1 22 SER HA 3.100 . 4.300 3.075 2.161 3.792 . 0 0 "[ . 1 . 2]" 1 121 1 11 PRO HG3 1 12 PHE H 3.300 . 4.700 4.276 4.125 4.517 . 0 0 "[ . 1 . 2]" 1 122 1 11 PRO HG3 1 22 SER HA 3.300 . 4.700 4.032 3.183 4.735 0.035 9 0 "[ . 1 . 2]" 1 123 1 12 PHE H 1 12 PHE HA 2.400 . 3.100 2.939 2.927 2.947 . 0 0 "[ . 1 . 2]" 1 124 1 12 PHE H 1 12 PHE HB2 2.100 . 2.700 2.667 2.556 2.720 0.020 16 0 "[ . 1 . 2]" 1 125 1 12 PHE H 1 13 GLN H 2.800 . 3.700 3.733 3.584 3.858 0.158 6 0 "[ . 1 . 2]" 1 126 1 12 PHE H 1 20 SER HA 3.800 . 5.600 4.902 4.608 5.169 . 0 0 "[ . 1 . 2]" 1 127 1 12 PHE H 1 20 SER HB3 3.300 . 6.000 5.696 5.123 6.043 0.043 11 0 "[ . 1 . 2]" 1 128 1 12 PHE H 1 24 SER HA 3.300 . 6.000 5.964 5.740 6.064 0.064 17 0 "[ . 1 . 2]" 1 129 1 12 PHE HA 1 12 PHE QB 2.100 . 2.700 2.354 2.324 2.393 . 0 0 "[ . 1 . 2]" 1 130 1 12 PHE QB 1 13 GLN H 2.600 . 6.000 3.754 3.690 3.843 . 0 0 "[ . 1 . 2]" 1 131 1 12 PHE QB 1 20 SER HA 3.800 . 5.600 5.109 4.877 5.222 . 0 0 "[ . 1 . 2]" 1 132 1 12 PHE QB 1 21 PHE H 2.600 . 3.400 3.485 3.354 3.551 0.151 4 0 "[ . 1 . 2]" 1 133 1 12 PHE QB 1 21 PHE HA 3.700 . 5.500 4.665 4.534 4.839 . 0 0 "[ . 1 . 2]" 1 134 1 12 PHE QB 1 26 HIS HB2 3.400 . 6.000 5.260 4.876 5.649 . 0 0 "[ . 1 . 2]" 1 135 1 12 PHE QB 1 27 LEU HA 3.400 . 4.900 4.595 4.278 4.918 0.018 3 0 "[ . 1 . 2]" 1 136 1 12 PHE HB2 1 23 ARG H 3.600 . 5.200 4.071 3.690 4.488 . 0 0 "[ . 1 . 2]" 1 137 1 12 PHE HB3 1 27 LEU HB2 2.800 . 3.800 2.635 2.262 3.004 . 0 0 "[ . 1 . 2]" 1 138 1 13 GLN H 1 13 GLN HA 2.700 . 3.600 2.922 2.880 2.941 . 0 0 "[ . 1 . 2]" 1 139 1 13 GLN H 1 13 GLN QB 1.900 . 2.400 2.428 1.992 2.631 0.231 13 0 "[ . 1 . 2]" 1 140 1 13 GLN H 1 13 GLN HG2 2.800 . 3.800 3.244 2.361 4.349 0.549 20 1 "[ . 1 . +]" 1 141 1 13 GLN H 1 13 GLN HG3 2.700 . 6.000 3.677 2.824 4.118 . 0 0 "[ . 1 . 2]" 1 142 1 13 GLN H 1 14 CYS H 3.200 . 4.500 4.537 4.487 4.587 0.087 14 0 "[ . 1 . 2]" 1 143 1 13 GLN H 1 20 SER HA 3.400 . 4.800 4.597 4.304 4.813 0.013 9 0 "[ . 1 . 2]" 1 144 1 13 GLN HA 1 13 GLN QB 2.300 . 3.000 2.262 2.150 2.527 . 0 0 "[ . 1 . 2]" 1 145 1 13 GLN HA 1 13 GLN HG2 3.000 . 4.100 3.312 2.011 3.949 . 0 0 "[ . 1 . 2]" 1 146 1 13 GLN HA 1 13 GLN HG3 2.600 . 3.500 3.423 2.415 4.160 0.660 4 5 "[* +. 1* - . * 2]" 1 147 1 13 GLN HA 1 14 CYS H 2.000 . 2.500 2.377 2.310 2.440 . 0 0 "[ . 1 . 2]" 1 148 1 13 GLN HA 1 14 CYS HB2 2.500 . 6.000 3.836 3.376 4.154 . 0 0 "[ . 1 . 2]" 1 149 1 13 GLN HA 1 20 SER HA 2.700 . 3.600 2.180 1.828 2.560 . 0 0 "[ . 1 . 2]" 1 150 1 13 GLN HA 1 20 SER HB2 2.600 . 6.000 4.873 4.380 5.359 . 0 0 "[ . 1 . 2]" 1 151 1 13 GLN HA 1 21 PHE H 2.800 . 3.800 2.826 2.539 3.085 . 0 0 "[ . 1 . 2]" 1 152 1 13 GLN QB 1 13 GLN HE21 3.400 . 4.900 2.520 1.609 3.898 0.291 3 0 "[ . 1 . 2]" 1 153 1 13 GLN QB 1 13 GLN HG2 2.100 . 2.700 2.370 2.093 2.515 . 0 0 "[ . 1 . 2]" 1 154 1 13 GLN QB 1 14 CYS H 2.500 . 3.300 2.698 2.125 3.105 . 0 0 "[ . 1 . 2]" 1 155 1 13 GLN QB 1 20 SER HA 3.100 . 4.300 3.085 1.943 3.951 . 0 0 "[ . 1 . 2]" 1 156 1 13 GLN QB 1 20 SER HB3 3.100 . 4.300 3.779 2.703 4.417 0.117 15 0 "[ . 1 . 2]" 1 157 1 13 GLN QB 1 21 PHE H 3.200 . 4.500 4.193 3.326 4.718 0.218 20 0 "[ . 1 . 2]" 1 158 1 13 GLN HE21 1 13 GLN HG2 3.100 . 4.300 3.110 2.130 3.553 . 0 0 "[ . 1 . 2]" 1 159 1 13 GLN HE21 1 13 GLN HG3 2.700 . 3.600 2.807 2.104 3.544 . 0 0 "[ . 1 . 2]" 1 160 1 13 GLN HE21 1 14 CYS H 3.000 . 6.000 5.049 3.307 6.105 0.105 15 0 "[ . 1 . 2]" 1 161 1 13 GLN HE21 1 18 ASP HA 6.000 . 7.000 4.466 1.731 7.066 0.066 19 0 "[ . 1 . 2]" 1 162 1 13 GLN HE21 1 20 SER HB3 3.800 . 5.600 4.864 2.534 5.877 0.277 2 0 "[ . 1 . 2]" 1 163 1 13 GLN HG2 1 14 CYS H 3.000 . 4.100 3.723 2.650 4.236 0.136 2 0 "[ . 1 . 2]" 1 164 1 13 GLN HG3 1 14 CYS H 2.900 . 4.000 3.777 2.716 4.359 0.359 17 0 "[ . 1 . 2]" 1 165 1 14 CYS H 1 14 CYS HA 2.500 . 3.300 2.877 2.844 2.923 . 0 0 "[ . 1 . 2]" 1 166 1 14 CYS H 1 14 CYS HB2 2.100 . 2.700 2.782 2.727 2.854 0.154 19 0 "[ . 1 . 2]" 1 167 1 14 CYS H 1 14 CYS HB3 2.200 . 2.800 2.536 2.466 2.691 . 0 0 "[ . 1 . 2]" 1 168 1 14 CYS H 1 15 PRO HD3 3.200 . 6.000 4.686 4.565 4.774 . 0 0 "[ . 1 . 2]" 1 169 1 14 CYS H 1 19 ARG H 3.000 . 4.100 2.579 2.089 3.335 . 0 0 "[ . 1 . 2]" 1 170 1 14 CYS H 1 19 ARG HE 3.300 . 6.000 5.558 5.288 5.878 . 0 0 "[ . 1 . 2]" 1 171 1 14 CYS H 1 20 SER HA 2.500 . 6.000 3.679 3.060 4.184 . 0 0 "[ . 1 . 2]" 1 172 1 14 CYS HA 1 14 CYS HB2 2.800 . 3.700 2.444 2.420 2.505 . 0 0 "[ . 1 . 2]" 1 173 1 14 CYS HA 1 14 CYS HB3 2.400 . 3.100 3.028 3.014 3.034 . 0 0 "[ . 1 . 2]" 1 174 1 14 CYS HA 1 15 PRO HB3 2.600 . 6.000 4.860 4.806 4.912 . 0 0 "[ . 1 . 2]" 1 175 1 14 CYS HA 1 15 PRO HD2 2.400 . 3.100 2.177 2.076 2.266 . 0 0 "[ . 1 . 2]" 1 176 1 14 CYS HA 1 15 PRO HD3 2.300 . 2.900 2.245 2.167 2.313 . 0 0 "[ . 1 . 2]" 1 177 1 14 CYS HA 1 19 ARG HE 3.400 . 6.000 6.082 6.022 6.199 0.199 3 0 "[ . 1 . 2]" 1 178 1 14 CYS HA 1 31 ARG HD2 2.800 . 3.800 3.045 2.686 3.417 . 0 0 "[ . 1 . 2]" 1 179 1 14 CYS HA 1 31 ARG HE 3.700 . 5.400 4.354 3.808 5.152 . 0 0 "[ . 1 . 2]" 1 180 1 14 CYS HA 1 34 HIS HD2 3.800 . 5.600 5.590 5.299 5.713 0.113 6 0 "[ . 1 . 2]" 1 181 1 14 CYS HB2 1 16 ASP H 3.200 . 4.500 4.164 4.062 4.289 . 0 0 "[ . 1 . 2]" 1 182 1 14 CYS HB2 1 17 CYS H 2.700 . 6.000 3.840 3.626 4.110 . 0 0 "[ . 1 . 2]" 1 183 1 14 CYS HB2 1 19 ARG H 2.300 . 6.000 3.308 2.982 3.699 . 0 0 "[ . 1 . 2]" 1 184 1 14 CYS HB2 1 19 ARG HE 2.800 . 3.800 3.715 3.637 3.871 0.071 3 0 "[ . 1 . 2]" 1 185 1 14 CYS HB2 1 20 SER H 2.900 . 6.000 5.350 4.859 5.868 . 0 0 "[ . 1 . 2]" 1 186 1 14 CYS HB3 1 15 PRO HD3 3.100 . 6.000 4.974 4.902 5.034 . 0 0 "[ . 1 . 2]" 1 187 1 14 CYS HB3 1 16 ASP H 3.100 . 4.300 3.470 3.353 3.597 . 0 0 "[ . 1 . 2]" 1 188 1 14 CYS HB3 1 17 CYS H 2.800 . 3.800 2.611 2.366 2.846 . 0 0 "[ . 1 . 2]" 1 189 1 15 PRO HA 1 15 PRO HB2 2.100 . 2.700 2.696 2.677 2.715 0.015 6 0 "[ . 1 . 2]" 1 190 1 15 PRO HA 1 15 PRO HB3 2.100 . 2.600 2.305 2.291 2.322 . 0 0 "[ . 1 . 2]" 1 191 1 15 PRO HA 1 15 PRO HD3 3.500 . 5.000 3.703 3.622 3.780 . 0 0 "[ . 1 . 2]" 1 192 1 15 PRO HA 1 16 ASP H 2.800 . 3.800 3.347 3.278 3.416 . 0 0 "[ . 1 . 2]" 1 193 1 15 PRO HA 1 17 CYS H 3.300 . 4.700 4.660 4.124 4.839 0.139 17 0 "[ . 1 . 2]" 1 194 1 15 PRO HB2 1 15 PRO HD2 2.900 . 4.000 4.009 3.992 4.025 0.025 17 0 "[ . 1 . 2]" 1 195 1 15 PRO HB2 1 15 PRO HD3 2.700 . 6.000 3.956 3.929 3.982 . 0 0 "[ . 1 . 2]" 1 196 1 15 PRO HB2 1 15 PRO HG3 2.400 . 3.100 2.672 2.668 2.681 . 0 0 "[ . 1 . 2]" 1 197 1 15 PRO HB2 1 16 ASP H 3.200 . 4.500 3.925 3.774 4.037 . 0 0 "[ . 1 . 2]" 1 198 1 15 PRO HB3 1 15 PRO HD2 2.600 . 6.000 3.882 3.872 3.895 . 0 0 "[ . 1 . 2]" 1 199 1 15 PRO HB3 1 16 ASP H 2.700 . 6.000 4.463 4.410 4.505 . 0 0 "[ . 1 . 2]" 1 200 1 15 PRO HB3 1 31 ARG QD 3.200 . 6.000 5.262 4.838 5.762 . 0 0 "[ . 1 . 2]" 1 201 1 15 PRO HD2 1 15 PRO HG3 2.500 . 3.300 2.738 2.720 2.757 . 0 0 "[ . 1 . 2]" 1 202 1 15 PRO HD2 1 31 ARG HD2 2.500 . 3.300 2.213 1.995 2.533 . 0 0 "[ . 1 . 2]" 1 203 1 15 PRO HD2 1 31 ARG HE 3.200 . 4.500 2.585 2.144 3.266 . 0 0 "[ . 1 . 2]" 1 204 1 15 PRO HD3 1 15 PRO QG 2.400 . 3.100 2.217 2.208 2.225 . 0 0 "[ . 1 . 2]" 1 205 1 15 PRO HD3 1 16 ASP H 2.800 . 6.000 3.911 3.799 4.002 . 0 0 "[ . 1 . 2]" 1 206 1 15 PRO HD3 1 31 ARG HD2 3.000 . 4.100 2.859 2.450 3.482 . 0 0 "[ . 1 . 2]" 1 207 1 15 PRO HD3 1 31 ARG HE 3.200 . 4.500 4.056 3.714 4.507 0.007 16 0 "[ . 1 . 2]" 1 208 1 15 PRO QG 1 31 ARG HD2 3.100 . 4.300 3.242 2.898 3.661 . 0 0 "[ . 1 . 2]" 1 209 1 15 PRO QG 1 34 HIS HD2 2.700 . 6.000 5.497 5.143 6.017 0.017 2 0 "[ . 1 . 2]" 1 210 1 16 ASP H 1 16 ASP HA 2.300 . 3.000 2.946 2.931 2.958 . 0 0 "[ . 1 . 2]" 1 211 1 16 ASP H 1 16 ASP HB2 2.400 . 3.100 2.641 2.203 3.025 . 0 0 "[ . 1 . 2]" 1 212 1 16 ASP H 1 16 ASP HB3 2.500 . 3.300 2.914 2.594 3.441 0.141 3 0 "[ . 1 . 2]" 1 213 1 16 ASP H 1 17 CYS H 2.100 . 2.600 2.052 1.993 2.114 . 0 0 "[ . 1 . 2]" 1 214 1 16 ASP H 1 17 CYS HA 3.300 . 4.700 4.771 4.734 4.812 0.112 2 0 "[ . 1 . 2]" 1 215 1 16 ASP H 1 31 ARG HD2 3.300 . 4.700 4.781 4.718 4.858 0.158 2 0 "[ . 1 . 2]" 1 216 1 16 ASP H 1 34 HIS HD2 3.300 . 6.000 5.370 5.042 5.649 . 0 0 "[ . 1 . 2]" 1 217 1 16 ASP HA 1 16 ASP HB2 2.300 . 2.900 2.658 2.450 2.949 0.049 8 0 "[ . 1 . 2]" 1 218 1 16 ASP HA 1 16 ASP HB3 2.500 . 3.300 2.937 2.706 3.027 . 0 0 "[ . 1 . 2]" 1 219 1 16 ASP HA 1 17 CYS H 2.600 . 3.500 3.507 3.425 3.533 0.033 17 0 "[ . 1 . 2]" 1 220 1 16 ASP HB2 1 17 CYS H 3.100 . 4.300 3.587 2.823 3.916 . 0 0 "[ . 1 . 2]" 1 221 1 16 ASP HB3 1 17 CYS H 2.700 . 3.600 2.869 2.548 3.624 0.024 14 0 "[ . 1 . 2]" 1 222 1 16 ASP HB3 1 34 HIS HD2 2.700 . 6.000 4.411 3.818 4.813 . 0 0 "[ . 1 . 2]" 1 223 1 17 CYS H 1 17 CYS HA 2.500 . 3.300 2.928 2.906 2.944 . 0 0 "[ . 1 . 2]" 1 224 1 17 CYS H 1 17 CYS HB2 3.100 . 4.300 2.561 2.493 2.676 . 0 0 "[ . 1 . 2]" 1 225 1 17 CYS H 1 17 CYS HB3 3.000 . 4.100 3.694 3.654 3.727 . 0 0 "[ . 1 . 2]" 1 226 1 17 CYS H 1 18 ASP H 2.600 . 3.500 2.114 1.973 2.301 . 0 0 "[ . 1 . 2]" 1 227 1 17 CYS H 1 18 ASP HA 3.600 . 5.200 4.364 4.232 4.546 . 0 0 "[ . 1 . 2]" 1 228 1 17 CYS HA 1 17 CYS HB2 2.200 . 6.000 3.016 3.000 3.027 . 0 0 "[ . 1 . 2]" 1 229 1 17 CYS HA 1 17 CYS HB3 2.300 . 2.900 2.443 2.387 2.514 . 0 0 "[ . 1 . 2]" 1 230 1 17 CYS HA 1 18 ASP H 2.200 . 6.000 3.463 3.442 3.492 . 0 0 "[ . 1 . 2]" 1 231 1 17 CYS HA 1 18 ASP HB2 3.800 . 5.600 4.756 4.143 6.042 0.442 9 0 "[ . 1 . 2]" 1 232 1 17 CYS HB2 1 18 ASP H 2.300 . 3.000 2.811 2.738 2.858 . 0 0 "[ . 1 . 2]" 1 233 1 17 CYS HB2 1 18 ASP HA 3.300 . 4.700 4.658 4.556 4.760 0.060 14 0 "[ . 1 . 2]" 1 234 1 17 CYS HB2 1 19 ARG H 3.100 . 4.300 2.654 2.088 3.150 . 0 0 "[ . 1 . 2]" 1 235 1 17 CYS HB3 1 18 ASP H 2.400 . 6.000 3.850 3.684 3.946 . 0 0 "[ . 1 . 2]" 1 236 1 17 CYS HB3 1 19 ARG H 3.200 . 4.500 3.830 2.907 4.458 . 0 0 "[ . 1 . 2]" 1 237 1 18 ASP H 1 18 ASP HA 2.300 . 3.000 2.285 2.239 2.338 . 0 0 "[ . 1 . 2]" 1 238 1 18 ASP H 1 18 ASP HB2 2.400 . 6.000 3.509 3.241 4.024 . 0 0 "[ . 1 . 2]" 1 239 1 18 ASP H 1 18 ASP HB3 2.400 . 6.000 3.830 3.182 4.137 . 0 0 "[ . 1 . 2]" 1 240 1 18 ASP H 1 19 ARG H 2.300 . 2.900 2.254 2.065 2.510 . 0 0 "[ . 1 . 2]" 1 241 1 18 ASP HA 1 18 ASP HB3 2.400 . 3.100 2.854 2.651 3.006 . 0 0 "[ . 1 . 2]" 1 242 1 18 ASP HA 1 19 ARG H 2.700 . 3.600 2.745 2.459 3.024 . 0 0 "[ . 1 . 2]" 1 243 1 19 ARG H 1 19 ARG HA 2.400 . 3.100 2.889 2.843 2.913 . 0 0 "[ . 1 . 2]" 1 244 1 19 ARG H 1 19 ARG HB3 2.700 . 3.600 3.504 3.326 3.646 0.046 2 0 "[ . 1 . 2]" 1 245 1 19 ARG H 1 19 ARG HD2 3.000 . 6.000 4.748 4.371 5.206 . 0 0 "[ . 1 . 2]" 1 246 1 19 ARG H 1 19 ARG HG3 2.600 . 3.500 3.131 2.381 3.563 0.063 17 0 "[ . 1 . 2]" 1 247 1 19 ARG H 1 20 SER H 2.700 . 6.000 4.423 4.164 4.614 . 0 0 "[ . 1 . 2]" 1 248 1 19 ARG HA 1 19 ARG HB2 2.400 . 3.100 2.975 2.918 3.033 . 0 0 "[ . 1 . 2]" 1 249 1 19 ARG HA 1 19 ARG HB3 2.300 . 3.000 2.572 2.290 2.782 . 0 0 "[ . 1 . 2]" 1 250 1 19 ARG HA 1 19 ARG HD3 2.600 . 6.000 4.305 3.892 4.776 . 0 0 "[ . 1 . 2]" 1 251 1 19 ARG HA 1 19 ARG HE 3.300 . 6.000 5.235 4.570 5.526 . 0 0 "[ . 1 . 2]" 1 252 1 19 ARG HA 1 20 SER H 2.400 . 3.100 2.754 2.281 3.033 . 0 0 "[ . 1 . 2]" 1 253 1 19 ARG HA 1 21 PHE HZ 3.800 . 5.600 5.545 5.078 5.666 0.066 3 0 "[ . 1 . 2]" 1 254 1 19 ARG HB2 1 19 ARG HD2 3.000 . 4.100 3.480 3.031 3.766 . 0 0 "[ . 1 . 2]" 1 255 1 19 ARG HB2 1 19 ARG HD3 2.900 . 6.000 3.086 2.007 4.130 . 0 0 "[ . 1 . 2]" 1 256 1 19 ARG HB2 1 19 ARG HE 2.800 . 3.800 3.174 2.560 3.579 . 0 0 "[ . 1 . 2]" 1 257 1 19 ARG HB2 1 21 PHE HZ 3.000 . 4.100 3.311 2.814 3.982 . 0 0 "[ . 1 . 2]" 1 258 1 19 ARG HB3 1 19 ARG HD2 3.200 . 4.500 3.112 1.936 4.053 . 0 0 "[ . 1 . 2]" 1 259 1 19 ARG HB3 1 19 ARG HD3 2.800 . 3.800 3.334 3.100 3.518 . 0 0 "[ . 1 . 2]" 1 260 1 19 ARG HB3 1 19 ARG HE 2.800 . 3.800 3.185 2.283 3.683 . 0 0 "[ . 1 . 2]" 1 261 1 19 ARG HB3 1 20 SER H 2.600 . 3.500 2.134 1.481 2.961 0.219 11 0 "[ . 1 . 2]" 1 262 1 19 ARG HB3 1 20 SER HA 4.000 . 6.000 4.334 3.922 4.937 . 0 0 "[ . 1 . 2]" 1 263 1 19 ARG HB3 1 21 PHE HZ 2.800 . 3.800 3.107 2.504 3.650 . 0 0 "[ . 1 . 2]" 1 264 1 19 ARG HD2 1 19 ARG HE 2.300 . 3.000 2.877 2.356 2.963 . 0 0 "[ . 1 . 2]" 1 265 1 19 ARG HD2 1 19 ARG HG2 2.600 . 3.400 2.544 2.292 2.800 . 0 0 "[ . 1 . 2]" 1 266 1 19 ARG HD2 1 19 ARG HG3 2.600 . 3.400 2.656 2.263 3.014 . 0 0 "[ . 1 . 2]" 1 267 1 19 ARG HD2 1 20 SER H 4.000 . 6.000 4.837 3.044 5.603 . 0 0 "[ . 1 . 2]" 1 268 1 19 ARG HD3 1 19 ARG HE 2.600 . 3.400 2.457 2.270 2.941 . 0 0 "[ . 1 . 2]" 1 269 1 19 ARG HD3 1 19 ARG HG2 2.700 . 3.600 2.684 2.213 3.010 . 0 0 "[ . 1 . 2]" 1 270 1 19 ARG HD3 1 19 ARG HG3 2.500 . 3.300 2.544 2.299 2.807 . 0 0 "[ . 1 . 2]" 1 271 1 19 ARG HD3 1 20 SER H 3.700 . 5.400 5.299 4.136 6.025 0.625 10 2 "[ . + - . 2]" 1 272 1 19 ARG HD3 1 21 PHE HZ 3.100 . 4.300 3.941 3.315 4.465 0.165 19 0 "[ . 1 . 2]" 1 273 1 19 ARG HE 1 19 ARG HG2 3.200 . 4.500 3.473 3.177 3.863 . 0 0 "[ . 1 . 2]" 1 274 1 19 ARG HE 1 19 ARG HG3 3.000 . 4.200 3.256 2.312 4.068 . 0 0 "[ . 1 . 2]" 1 275 1 19 ARG HE 1 20 SER H 3.500 . 5.000 5.053 4.820 5.211 0.211 17 0 "[ . 1 . 2]" 1 276 1 19 ARG HE 1 21 PHE HZ 3.000 . 4.100 1.868 1.748 2.101 0.152 6 0 "[ . 1 . 2]" 1 277 1 19 ARG HE 1 30 HIS HA 3.600 . 5.200 5.169 5.014 5.354 0.154 3 0 "[ . 1 . 2]" 1 278 1 19 ARG HE 1 30 HIS HB3 2.700 . 3.600 3.642 3.531 3.711 0.111 3 0 "[ . 1 . 2]" 1 279 1 19 ARG HE 1 31 ARG H 2.800 . 6.000 5.958 5.865 6.014 0.014 13 0 "[ . 1 . 2]" 1 280 1 19 ARG HE 1 31 ARG HA 3.300 . 6.000 6.127 6.008 6.198 0.198 10 0 "[ . 1 . 2]" 1 281 1 19 ARG HE 1 31 ARG HG2 2.700 . 6.000 5.758 5.467 5.987 . 0 0 "[ . 1 . 2]" 1 282 1 19 ARG HE 1 31 ARG HG3 2.900 . 6.000 5.951 5.603 6.070 0.070 6 0 "[ . 1 . 2]" 1 283 1 19 ARG HE 1 34 HIS HD2 2.600 . 6.000 6.037 5.840 6.090 0.090 19 0 "[ . 1 . 2]" 1 284 1 19 ARG HG3 1 20 SER H 3.600 . 5.300 4.311 3.887 5.328 0.028 10 0 "[ . 1 . 2]" 1 285 1 19 ARG HG3 1 21 PHE HZ 3.400 . 4.800 4.241 2.836 4.928 0.128 17 0 "[ . 1 . 2]" 1 286 1 20 SER H 1 20 SER HA 2.700 . 3.600 2.897 2.826 2.956 . 0 0 "[ . 1 . 2]" 1 287 1 20 SER HA 1 20 SER HB2 2.300 . 3.000 2.762 2.650 2.924 . 0 0 "[ . 1 . 2]" 1 288 1 20 SER HA 1 20 SER HB3 2.200 . 2.800 2.250 2.215 2.298 . 0 0 "[ . 1 . 2]" 1 289 1 20 SER HA 1 21 PHE H 2.100 . 2.700 2.119 2.078 2.182 . 0 0 "[ . 1 . 2]" 1 290 1 20 SER HA 1 21 PHE HB2 3.600 . 6.000 4.706 4.534 4.819 . 0 0 "[ . 1 . 2]" 1 291 1 20 SER HA 1 21 PHE HB3 3.000 . 6.000 5.632 5.555 5.673 . 0 0 "[ . 1 . 2]" 1 292 1 20 SER HB2 1 21 PHE H 2.600 . 3.400 3.482 3.289 3.570 0.170 13 0 "[ . 1 . 2]" 1 293 1 21 PHE H 1 21 PHE HA 3.000 . 4.100 2.936 2.922 2.951 . 0 0 "[ . 1 . 2]" 1 294 1 21 PHE H 1 21 PHE HB2 2.900 . 3.900 2.865 2.768 2.970 . 0 0 "[ . 1 . 2]" 1 295 1 21 PHE H 1 22 SER H 3.500 . 5.000 4.343 4.239 4.416 . 0 0 "[ . 1 . 2]" 1 296 1 21 PHE H 1 22 SER HA 3.400 . 4.800 4.751 4.618 4.833 0.033 20 0 "[ . 1 . 2]" 1 297 1 21 PHE HA 1 21 PHE HB2 2.600 . 3.500 3.022 3.014 3.028 . 0 0 "[ . 1 . 2]" 1 298 1 21 PHE HA 1 21 PHE HB3 2.800 . 3.800 2.391 2.361 2.436 . 0 0 "[ . 1 . 2]" 1 299 1 21 PHE HB2 1 26 HIS HB2 2.900 . 3.900 3.944 3.439 4.215 0.315 19 0 "[ . 1 . 2]" 1 300 1 21 PHE HB2 1 26 HIS HB3 3.300 . 4.600 3.805 3.363 4.205 . 0 0 "[ . 1 . 2]" 1 301 1 21 PHE HB2 1 27 LEU H 2.700 . 3.600 3.445 3.267 3.532 . 0 0 "[ . 1 . 2]" 1 302 1 21 PHE HB3 1 22 SER H 2.700 . 6.000 3.026 2.760 3.253 . 0 0 "[ . 1 . 2]" 1 303 1 21 PHE HB3 1 23 ARG H 2.600 . 6.000 2.780 2.568 3.039 . 0 0 "[ . 1 . 2]" 1 304 1 21 PHE HB3 1 27 LEU H 2.200 . 6.000 3.524 3.117 3.925 . 0 0 "[ . 1 . 2]" 1 305 1 21 PHE HZ 1 30 HIS H 4.100 . 6.200 4.869 4.609 5.102 . 0 0 "[ . 1 . 2]" 1 306 1 21 PHE HZ 1 30 HIS HA 3.300 . 6.000 5.126 4.884 5.600 . 0 0 "[ . 1 . 2]" 1 307 1 21 PHE HZ 1 30 HIS HB2 2.700 . 3.600 2.975 2.688 3.571 . 0 0 "[ . 1 . 2]" 1 308 1 21 PHE HZ 1 30 HIS HB3 2.700 . 3.600 2.810 2.489 3.154 . 0 0 "[ . 1 . 2]" 1 309 1 22 SER H 1 22 SER HA 2.500 . 3.300 2.888 2.844 2.920 . 0 0 "[ . 1 . 2]" 1 310 1 22 SER H 1 22 SER HB2 2.600 . 3.400 3.189 2.901 3.416 0.016 9 0 "[ . 1 . 2]" 1 311 1 22 SER H 1 22 SER HB3 2.600 . 3.400 3.375 3.105 3.522 0.122 15 0 "[ . 1 . 2]" 1 312 1 22 SER H 1 23 ARG H 2.300 . 3.000 2.292 2.155 2.493 . 0 0 "[ . 1 . 2]" 1 313 1 22 SER H 1 23 ARG HB2 3.700 . 5.400 4.613 4.199 5.162 . 0 0 "[ . 1 . 2]" 1 314 1 22 SER H 1 23 ARG HG3 3.000 . 6.000 4.281 3.569 5.373 . 0 0 "[ . 1 . 2]" 1 315 1 22 SER HA 1 22 SER HB2 2.800 . 3.800 2.861 2.728 2.974 . 0 0 "[ . 1 . 2]" 1 316 1 22 SER HA 1 22 SER HB3 2.600 . 3.500 2.253 2.240 2.284 . 0 0 "[ . 1 . 2]" 1 317 1 22 SER HB3 1 23 ARG H 2.800 . 6.000 4.333 4.190 4.434 . 0 0 "[ . 1 . 2]" 1 318 1 23 ARG H 1 23 ARG HA 2.400 . 3.100 2.951 2.943 2.959 . 0 0 "[ . 1 . 2]" 1 319 1 23 ARG H 1 23 ARG HB3 2.600 . 6.000 3.732 3.568 3.811 . 0 0 "[ . 1 . 2]" 1 320 1 23 ARG H 1 23 ARG HD3 3.600 . 5.200 4.884 3.839 5.724 0.524 14 1 "[ . 1 +. 2]" 1 321 1 23 ARG H 1 23 ARG HE 3.400 . 6.000 5.197 4.677 5.588 . 0 0 "[ . 1 . 2]" 1 322 1 23 ARG H 1 23 ARG HG2 2.700 . 3.600 3.626 2.878 3.863 0.263 2 0 "[ . 1 . 2]" 1 323 1 23 ARG H 1 23 ARG HG3 2.800 . 3.800 2.956 2.163 3.651 . 0 0 "[ . 1 . 2]" 1 324 1 23 ARG H 1 24 SER H 3.200 . 4.500 4.379 4.310 4.473 . 0 0 "[ . 1 . 2]" 1 325 1 23 ARG H 1 26 HIS HB2 3.200 . 4.500 3.001 2.677 3.312 . 0 0 "[ . 1 . 2]" 1 326 1 23 ARG H 1 26 HIS HB3 3.300 . 4.600 4.108 3.815 4.524 . 0 0 "[ . 1 . 2]" 1 327 1 23 ARG HA 1 23 ARG HB2 2.700 . 3.600 3.017 2.970 3.032 . 0 0 "[ . 1 . 2]" 1 328 1 23 ARG HA 1 23 ARG HB3 2.600 . 3.500 2.451 2.287 2.620 . 0 0 "[ . 1 . 2]" 1 329 1 23 ARG HA 1 23 ARG HD2 3.600 . 5.200 4.228 3.224 5.165 . 0 0 "[ . 1 . 2]" 1 330 1 23 ARG HA 1 23 ARG HE 3.400 . 4.900 4.711 4.303 4.928 0.028 4 0 "[ . 1 . 2]" 1 331 1 23 ARG HA 1 23 ARG HG3 2.500 . 3.300 3.362 3.018 3.764 0.464 18 0 "[ . 1 . 2]" 1 332 1 23 ARG HA 1 24 SER H 2.100 . 2.600 2.104 2.043 2.181 . 0 0 "[ . 1 . 2]" 1 333 1 23 ARG HA 1 24 SER HA 4.100 . 6.200 4.319 4.240 4.388 . 0 0 "[ . 1 . 2]" 1 334 1 23 ARG HA 1 24 SER QB 3.400 . 4.800 4.322 3.983 4.586 . 0 0 "[ . 1 . 2]" 1 335 1 23 ARG HA 1 25 ASP H 2.700 . 3.600 3.647 3.565 3.705 0.105 18 0 "[ . 1 . 2]" 1 336 1 23 ARG HB2 1 23 ARG HD3 2.600 . 3.500 3.316 2.308 4.040 0.540 11 4 "[ . 1+* *. - 2]" 1 337 1 23 ARG HB2 1 23 ARG HE 2.700 . 3.600 2.697 2.094 3.150 . 0 0 "[ . 1 . 2]" 1 338 1 23 ARG HB2 1 24 SER H 2.900 . 6.000 4.040 3.682 4.230 . 0 0 "[ . 1 . 2]" 1 339 1 23 ARG HB2 1 25 ASP H 2.800 . 3.800 3.534 2.920 3.816 0.016 11 0 "[ . 1 . 2]" 1 340 1 23 ARG HB2 1 26 HIS HD2 3.200 . 4.500 3.646 3.263 4.078 . 0 0 "[ . 1 . 2]" 1 341 1 23 ARG HB3 1 23 ARG HD2 2.500 . 6.000 3.005 2.179 3.812 . 0 0 "[ . 1 . 2]" 1 342 1 23 ARG HB3 1 23 ARG HD3 2.200 . 6.000 3.440 3.197 3.632 . 0 0 "[ . 1 . 2]" 1 343 1 23 ARG HB3 1 23 ARG HE 3.100 . 4.300 2.416 1.932 2.677 . 0 0 "[ . 1 . 2]" 1 344 1 23 ARG HB3 1 24 SER H 3.400 . 4.900 3.116 3.023 3.223 . 0 0 "[ . 1 . 2]" 1 345 1 23 ARG HB3 1 25 ASP H 2.900 . 3.900 2.593 2.243 2.849 . 0 0 "[ . 1 . 2]" 1 346 1 23 ARG HB3 1 25 ASP HB2 2.700 . 6.000 4.366 3.940 4.741 . 0 0 "[ . 1 . 2]" 1 347 1 23 ARG HB3 1 26 HIS HD2 3.400 . 4.900 4.521 4.071 4.914 0.014 1 0 "[ . 1 . 2]" 1 348 1 23 ARG HD2 1 23 ARG HE 2.400 . 3.100 2.719 2.314 2.956 . 0 0 "[ . 1 . 2]" 1 349 1 23 ARG HD2 1 23 ARG HG3 2.600 . 3.500 2.795 2.409 3.012 . 0 0 "[ . 1 . 2]" 1 350 1 23 ARG HD3 1 23 ARG HE 2.300 . 2.900 2.623 2.279 2.955 0.055 12 0 "[ . 1 . 2]" 1 351 1 23 ARG HD3 1 23 ARG HG2 2.700 . 3.600 2.728 2.356 3.013 . 0 0 "[ . 1 . 2]" 1 352 1 23 ARG HD3 1 23 ARG HG3 2.400 . 3.100 2.366 2.221 2.535 . 0 0 "[ . 1 . 2]" 1 353 1 23 ARG HD3 1 26 HIS HD2 2.900 . 6.000 4.700 2.665 6.194 0.194 14 0 "[ . 1 . 2]" 1 354 1 23 ARG HE 1 23 ARG HG2 2.400 . 6.000 3.653 3.313 3.895 . 0 0 "[ . 1 . 2]" 1 355 1 23 ARG HE 1 23 ARG HG3 2.800 . 3.800 3.427 2.838 3.918 0.118 9 0 "[ . 1 . 2]" 1 356 1 23 ARG HE 1 25 ASP H 3.100 . 4.300 4.140 3.712 4.354 0.054 10 0 "[ . 1 . 2]" 1 357 1 23 ARG HE 1 26 HIS H 3.100 . 4.300 3.615 3.048 4.221 . 0 0 "[ . 1 . 2]" 1 358 1 23 ARG HE 1 26 HIS HD2 2.600 . 3.400 3.175 2.453 3.443 0.043 16 0 "[ . 1 . 2]" 1 359 1 23 ARG HG2 1 25 ASP H 2.400 . 6.000 4.970 4.570 5.391 . 0 0 "[ . 1 . 2]" 1 360 1 23 ARG HG2 1 26 HIS H 2.400 . 6.000 5.121 4.763 5.436 . 0 0 "[ . 1 . 2]" 1 361 1 23 ARG HG3 1 24 SER H 2.800 . 6.000 5.177 4.973 5.430 . 0 0 "[ . 1 . 2]" 1 362 1 23 ARG HG3 1 25 ASP H 3.400 . 6.000 5.385 5.121 5.585 . 0 0 "[ . 1 . 2]" 1 363 1 23 ARG HG3 1 26 HIS H 2.500 . 6.000 4.709 4.316 5.098 . 0 0 "[ . 1 . 2]" 1 364 1 24 SER H 1 24 SER HA 2.600 . 3.400 2.821 2.787 2.855 . 0 0 "[ . 1 . 2]" 1 365 1 24 SER H 1 24 SER QB 2.400 . 3.100 2.483 2.042 2.834 . 0 0 "[ . 1 . 2]" 1 366 1 24 SER H 1 25 ASP H 2.400 . 3.100 2.514 2.424 2.631 . 0 0 "[ . 1 . 2]" 1 367 1 24 SER HA 1 24 SER QB 2.100 . 6.000 2.322 2.146 2.545 . 0 0 "[ . 1 . 2]" 1 368 1 24 SER HA 1 25 ASP H 2.900 . 3.900 3.459 3.430 3.482 . 0 0 "[ . 1 . 2]" 1 369 1 24 SER HA 1 25 ASP HA 3.700 . 5.400 4.811 4.693 4.844 . 0 0 "[ . 1 . 2]" 1 370 1 24 SER HA 1 27 LEU HB2 2.500 . 6.000 2.645 2.341 3.280 . 0 0 "[ . 1 . 2]" 1 371 1 24 SER HA 1 28 ALA H 3.000 . 6.000 4.209 3.927 4.822 . 0 0 "[ . 1 . 2]" 1 372 1 24 SER QB 1 25 ASP H 3.300 . 4.700 3.097 2.815 3.333 . 0 0 "[ . 1 . 2]" 1 373 1 24 SER QB 1 27 LEU H 6.000 . 7.000 4.736 4.574 4.996 . 0 0 "[ . 1 . 2]" 1 374 1 25 ASP H 1 25 ASP HA 2.200 . 2.800 2.824 2.786 2.887 0.087 18 0 "[ . 1 . 2]" 1 375 1 25 ASP H 1 25 ASP HB2 2.300 . 3.000 3.034 2.559 3.255 0.255 17 0 "[ . 1 . 2]" 1 376 1 25 ASP H 1 25 ASP HB3 2.400 . 3.100 2.114 1.973 2.606 . 0 0 "[ . 1 . 2]" 1 377 1 25 ASP H 1 26 HIS H 2.300 . 2.900 2.592 2.324 2.702 . 0 0 "[ . 1 . 2]" 1 378 1 25 ASP H 1 26 HIS HD2 3.700 . 5.500 5.334 5.040 5.530 0.030 15 0 "[ . 1 . 2]" 1 379 1 25 ASP H 1 27 LEU H 3.100 . 4.300 3.902 3.819 4.033 . 0 0 "[ . 1 . 2]" 1 380 1 25 ASP HA 1 25 ASP HB3 2.200 . 2.800 2.909 2.821 3.028 0.228 19 0 "[ . 1 . 2]" 1 381 1 25 ASP HA 1 26 HIS H 2.800 . 3.800 3.521 3.476 3.540 . 0 0 "[ . 1 . 2]" 1 382 1 25 ASP HA 1 28 ALA H 2.700 . 3.600 3.616 3.454 3.682 0.082 14 0 "[ . 1 . 2]" 1 383 1 25 ASP HA 1 29 LEU H 3.600 . 5.200 4.266 4.071 4.462 . 0 0 "[ . 1 . 2]" 1 384 1 25 ASP HB2 1 26 HIS HD2 3.500 . 5.000 5.148 4.962 5.578 0.578 15 1 "[ . 1 + 2]" 1 385 1 25 ASP HB2 1 28 ALA H 3.800 . 6.000 5.815 5.759 5.948 . 0 0 "[ . 1 . 2]" 1 386 1 25 ASP HB3 1 26 HIS H 2.800 . 3.800 2.927 2.545 3.200 . 0 0 "[ . 1 . 2]" 1 387 1 26 HIS H 1 26 HIS HA 2.400 . 3.100 2.832 2.802 2.863 . 0 0 "[ . 1 . 2]" 1 388 1 26 HIS H 1 26 HIS HB2 2.700 . 3.600 2.132 2.096 2.160 . 0 0 "[ . 1 . 2]" 1 389 1 26 HIS H 1 26 HIS HB3 2.700 . 3.600 3.427 3.377 3.469 . 0 0 "[ . 1 . 2]" 1 390 1 26 HIS H 1 26 HIS HD2 2.500 . 3.300 3.289 3.160 3.363 0.063 6 0 "[ . 1 . 2]" 1 391 1 26 HIS HA 1 26 HIS HB2 2.400 . 3.100 2.934 2.890 2.965 . 0 0 "[ . 1 . 2]" 1 392 1 26 HIS HA 1 26 HIS HB3 2.400 . 3.100 2.745 2.703 2.799 . 0 0 "[ . 1 . 2]" 1 393 1 26 HIS HA 1 26 HIS HD2 2.200 . 2.800 2.671 2.518 2.861 0.061 15 0 "[ . 1 . 2]" 1 394 1 26 HIS HA 1 27 LEU H 3.000 . 4.100 3.498 3.476 3.516 . 0 0 "[ . 1 . 2]" 1 395 1 26 HIS HA 1 28 ALA H 3.800 . 5.600 4.705 4.577 4.804 . 0 0 "[ . 1 . 2]" 1 396 1 26 HIS HA 1 29 LEU H 2.600 . 3.400 3.344 3.223 3.440 0.040 4 0 "[ . 1 . 2]" 1 397 1 26 HIS HA 1 29 LEU HG 2.500 . 3.300 3.052 2.785 3.295 . 0 0 "[ . 1 . 2]" 1 398 1 26 HIS HB2 1 26 HIS HD2 3.200 . 4.500 3.259 3.062 3.363 . 0 0 "[ . 1 . 2]" 1 399 1 26 HIS HB3 1 26 HIS HD2 2.900 . 4.000 3.939 3.916 3.959 . 0 0 "[ . 1 . 2]" 1 400 1 26 HIS HD2 1 29 LEU QB 3.300 . 4.700 4.527 4.209 4.707 0.007 13 0 "[ . 1 . 2]" 1 401 1 26 HIS HD2 1 29 LEU HG 3.300 . 4.700 4.491 4.153 4.713 0.013 3 0 "[ . 1 . 2]" 1 402 1 27 LEU H 1 27 LEU HA 2.300 . 3.000 2.806 2.798 2.813 . 0 0 "[ . 1 . 2]" 1 403 1 27 LEU H 1 27 LEU HB2 3.300 . 4.600 2.349 2.305 2.380 . 0 0 "[ . 1 . 2]" 1 404 1 27 LEU H 1 27 LEU HG 2.500 . 6.000 4.620 4.603 4.631 . 0 0 "[ . 1 . 2]" 1 405 1 27 LEU H 1 28 ALA H 2.700 . 3.600 2.837 2.795 2.893 . 0 0 "[ . 1 . 2]" 1 406 1 27 LEU H 1 29 LEU H 3.000 . 4.100 4.021 3.935 4.070 . 0 0 "[ . 1 . 2]" 1 407 1 27 LEU HA 1 27 LEU HB2 2.700 . 3.600 2.550 2.534 2.569 . 0 0 "[ . 1 . 2]" 1 408 1 27 LEU HA 1 27 LEU HB3 2.500 . 3.300 3.018 3.012 3.024 . 0 0 "[ . 1 . 2]" 1 409 1 27 LEU HA 1 30 HIS H 2.800 . 6.000 3.788 3.676 3.901 . 0 0 "[ . 1 . 2]" 1 410 1 27 LEU HA 1 30 HIS HB3 2.800 . 3.800 3.324 3.171 3.848 0.048 3 0 "[ . 1 . 2]" 1 411 1 27 LEU HB2 1 27 LEU HG 2.800 . 3.800 2.933 2.927 2.940 . 0 0 "[ . 1 . 2]" 1 412 1 27 LEU HG 1 28 ALA H 2.700 . 3.600 3.629 3.530 3.675 0.075 9 0 "[ . 1 . 2]" 1 413 1 27 LEU HG 1 28 ALA HA 2.900 . 4.000 3.993 3.884 4.037 0.037 13 0 "[ . 1 . 2]" 1 414 1 27 LEU HG 1 31 ARG H 3.100 . 6.000 5.143 4.963 5.340 . 0 0 "[ . 1 . 2]" 1 415 1 27 LEU HG 1 31 ARG QD 2.200 . 2.800 2.650 2.423 2.814 0.014 14 0 "[ . 1 . 2]" 1 416 1 27 LEU HG 1 31 ARG HE 4.000 . 6.000 5.285 5.173 5.403 . 0 0 "[ . 1 . 2]" 1 417 1 27 LEU HG 1 31 ARG HG3 3.000 . 4.100 3.123 2.942 3.400 . 0 0 "[ . 1 . 2]" 1 418 1 28 ALA H 1 28 ALA HA 2.300 . 2.900 2.763 2.753 2.776 . 0 0 "[ . 1 . 2]" 1 419 1 28 ALA H 1 29 LEU H 2.500 . 3.300 2.818 2.765 2.844 . 0 0 "[ . 1 . 2]" 1 420 1 28 ALA H 1 29 LEU HA 3.700 . 5.400 5.385 5.341 5.406 0.006 5 0 "[ . 1 . 2]" 1 421 1 28 ALA H 1 29 LEU HB2 3.900 . 5.800 4.920 4.839 4.989 . 0 0 "[ . 1 . 2]" 1 422 1 28 ALA HA 1 29 LEU H 2.800 . 3.800 3.541 3.526 3.557 . 0 0 "[ . 1 . 2]" 1 423 1 28 ALA HA 1 31 ARG HB2 2.900 . 4.000 2.081 1.948 2.210 . 0 0 "[ . 1 . 2]" 1 424 1 28 ALA HA 1 31 ARG HB3 2.800 . 3.800 3.693 3.506 3.832 0.032 14 0 "[ . 1 . 2]" 1 425 1 28 ALA HA 1 31 ARG HD3 2.700 . 3.600 3.588 3.284 3.682 0.082 14 0 "[ . 1 . 2]" 1 426 1 28 ALA HA 1 31 ARG HG2 3.300 . 4.700 4.725 4.653 4.784 0.084 20 0 "[ . 1 . 2]" 1 427 1 28 ALA HA 1 31 ARG HG3 3.200 . 4.500 3.398 3.256 3.542 . 0 0 "[ . 1 . 2]" 1 428 1 29 LEU H 1 29 LEU HA 2.300 . 2.900 2.786 2.767 2.805 . 0 0 "[ . 1 . 2]" 1 429 1 29 LEU H 1 29 LEU HB2 2.100 . 2.600 2.425 2.365 2.482 . 0 0 "[ . 1 . 2]" 1 430 1 29 LEU H 1 29 LEU HG 2.300 . 2.900 2.388 2.293 2.528 . 0 0 "[ . 1 . 2]" 1 431 1 29 LEU HA 1 29 LEU QB 1.900 . 2.300 2.397 2.380 2.418 0.118 9 0 "[ . 1 . 2]" 1 432 1 29 LEU HA 1 29 LEU HG 2.700 . 3.600 2.933 2.704 3.098 . 0 0 "[ . 1 . 2]" 1 433 1 29 LEU QB 1 30 HIS HA 3.500 . 5.100 3.897 3.817 3.950 . 0 0 "[ . 1 . 2]" 1 434 1 30 HIS H 1 30 HIS HA 2.500 . 3.300 2.867 2.839 2.883 . 0 0 "[ . 1 . 2]" 1 435 1 30 HIS H 1 30 HIS HB2 2.700 . 3.600 3.019 2.953 3.430 . 0 0 "[ . 1 . 2]" 1 436 1 30 HIS H 1 30 HIS HB3 2.200 . 2.800 2.219 2.151 2.240 . 0 0 "[ . 1 . 2]" 1 437 1 30 HIS H 1 31 ARG H 2.400 . 3.100 2.448 2.391 2.567 . 0 0 "[ . 1 . 2]" 1 438 1 30 HIS HA 1 30 HIS HB2 2.400 . 3.100 2.314 2.231 2.330 . 0 0 "[ . 1 . 2]" 1 439 1 30 HIS HA 1 30 HIS HB3 2.200 . 6.000 2.984 2.784 3.000 . 0 0 "[ . 1 . 2]" 1 440 1 30 HIS HA 1 32 LYS H 3.500 . 5.000 3.633 3.481 3.859 . 0 0 "[ . 1 . 2]" 1 441 1 30 HIS HA 1 33 ARG H 3.400 . 4.800 4.221 3.874 4.692 . 0 0 "[ . 1 . 2]" 1 442 1 30 HIS HB2 1 31 ARG H 2.600 . 6.000 4.134 4.077 4.309 . 0 0 "[ . 1 . 2]" 1 443 1 30 HIS HB3 1 31 ARG H 2.700 . 3.600 2.914 2.789 3.560 . 0 0 "[ . 1 . 2]" 1 444 1 31 ARG H 1 31 ARG HA 2.500 . 3.300 2.836 2.819 2.856 . 0 0 "[ . 1 . 2]" 1 445 1 31 ARG H 1 31 ARG HB2 2.500 . 3.300 2.350 2.281 2.422 . 0 0 "[ . 1 . 2]" 1 446 1 31 ARG H 1 31 ARG HB3 2.300 . 6.000 3.570 3.546 3.602 . 0 0 "[ . 1 . 2]" 1 447 1 31 ARG H 1 31 ARG QD 2.600 . 6.000 4.220 4.066 4.334 . 0 0 "[ . 1 . 2]" 1 448 1 31 ARG H 1 31 ARG HG2 2.800 . 3.700 3.379 3.260 3.519 . 0 0 "[ . 1 . 2]" 1 449 1 31 ARG H 1 31 ARG HG3 2.600 . 3.500 2.655 2.481 2.810 . 0 0 "[ . 1 . 2]" 1 450 1 31 ARG H 1 32 LYS H 2.400 . 3.100 2.674 2.604 2.757 . 0 0 "[ . 1 . 2]" 1 451 1 31 ARG H 1 32 LYS QD 3.000 . 4.100 4.175 4.120 4.224 0.124 5 0 "[ . 1 . 2]" 1 452 1 31 ARG H 1 34 HIS HD2 3.400 . 4.900 4.233 4.104 4.415 . 0 0 "[ . 1 . 2]" 1 453 1 31 ARG HA 1 31 ARG HB2 2.400 . 3.100 3.009 3.000 3.017 . 0 0 "[ . 1 . 2]" 1 454 1 31 ARG HA 1 31 ARG QD 2.600 . 6.000 4.054 3.996 4.124 . 0 0 "[ . 1 . 2]" 1 455 1 31 ARG HA 1 31 ARG HE 3.000 . 4.100 4.120 4.041 4.194 0.094 11 0 "[ . 1 . 2]" 1 456 1 31 ARG HA 1 31 ARG HG2 2.600 . 3.400 2.264 2.209 2.341 . 0 0 "[ . 1 . 2]" 1 457 1 31 ARG HA 1 31 ARG HG3 2.500 . 3.300 3.226 3.150 3.295 . 0 0 "[ . 1 . 2]" 1 458 1 31 ARG HA 1 32 LYS H 3.000 . 4.100 3.272 3.186 3.335 . 0 0 "[ . 1 . 2]" 1 459 1 31 ARG HA 1 33 ARG H 3.100 . 4.300 3.514 3.306 3.799 . 0 0 "[ . 1 . 2]" 1 460 1 31 ARG HA 1 34 HIS HD2 2.100 . 2.700 1.686 1.528 1.918 . 0 0 "[ . 1 . 2]" 1 461 1 31 ARG HB2 1 31 ARG HD3 2.300 . 3.000 2.717 2.559 2.793 . 0 0 "[ . 1 . 2]" 1 462 1 31 ARG HB2 1 31 ARG HE 2.700 . 6.000 4.417 4.082 4.629 . 0 0 "[ . 1 . 2]" 1 463 1 31 ARG HB2 1 32 LYS H 3.100 . 4.300 3.576 3.403 3.722 . 0 0 "[ . 1 . 2]" 1 464 1 31 ARG HB3 1 31 ARG HD3 2.400 . 3.100 2.625 2.452 2.897 . 0 0 "[ . 1 . 2]" 1 465 1 31 ARG HB3 1 31 ARG HE 2.700 . 3.600 3.237 2.819 3.508 . 0 0 "[ . 1 . 2]" 1 466 1 31 ARG HB3 1 31 ARG HG3 2.500 . 3.300 2.979 2.960 2.998 . 0 0 "[ . 1 . 2]" 1 467 1 31 ARG HB3 1 34 HIS H 3.000 . 4.100 4.176 4.123 4.217 0.117 16 0 "[ . 1 . 2]" 1 468 1 31 ARG HB3 1 34 HIS HD2 3.000 . 4.100 3.114 2.835 3.317 . 0 0 "[ . 1 . 2]" 1 469 1 31 ARG QD 1 31 ARG HG2 2.400 . 3.100 2.393 2.318 2.450 . 0 0 "[ . 1 . 2]" 1 470 1 31 ARG QD 1 31 ARG HG3 2.500 . 3.300 2.167 2.153 2.176 . 0 0 "[ . 1 . 2]" 1 471 1 31 ARG QD 1 32 LYS H 3.400 . 6.000 5.794 5.671 5.918 . 0 0 "[ . 1 . 2]" 1 472 1 31 ARG QD 1 34 HIS HD2 2.200 . 6.000 3.898 3.524 4.254 . 0 0 "[ . 1 . 2]" 1 473 1 31 ARG HE 1 31 ARG HG2 3.300 . 4.700 2.594 2.321 2.727 . 0 0 "[ . 1 . 2]" 1 474 1 31 ARG HE 1 31 ARG HG3 3.300 . 4.600 3.727 3.560 3.813 . 0 0 "[ . 1 . 2]" 1 475 1 31 ARG HG2 1 34 HIS HD2 2.900 . 4.000 1.994 1.785 2.276 0.015 3 0 "[ . 1 . 2]" 1 476 1 31 ARG HG3 1 34 HIS HD2 3.100 . 4.300 3.633 3.438 3.816 . 0 0 "[ . 1 . 2]" 1 477 1 32 LYS H 1 32 LYS HA 2.700 . 3.600 2.829 2.790 2.868 . 0 0 "[ . 1 . 2]" 1 478 1 32 LYS H 1 32 LYS HB2 2.000 . 2.500 2.093 2.054 2.311 . 0 0 "[ . 1 . 2]" 1 479 1 32 LYS H 1 32 LYS QD 2.200 . 2.800 2.698 2.561 2.751 . 0 0 "[ . 1 . 2]" 1 480 1 32 LYS H 1 32 LYS QG 2.900 . 3.900 3.709 2.933 3.858 . 0 0 "[ . 1 . 2]" 1 481 1 32 LYS H 1 33 ARG H 2.500 . 3.300 2.527 2.356 2.726 . 0 0 "[ . 1 . 2]" 1 482 1 32 LYS HA 1 32 LYS QB 2.000 . 2.500 2.528 2.447 2.538 0.038 12 0 "[ . 1 . 2]" 1 483 1 32 LYS HA 1 32 LYS QE 3.000 . 4.100 3.796 2.639 4.182 0.082 5 0 "[ . 1 . 2]" 1 484 1 32 LYS QB 1 32 LYS QE 3.300 . 4.600 3.384 2.605 3.765 . 0 0 "[ . 1 . 2]" 1 485 1 32 LYS QB 1 33 ARG H 2.400 . 3.100 2.874 2.650 2.960 . 0 0 "[ . 1 . 2]" 1 486 1 32 LYS QD 1 32 LYS HE2 2.200 . 2.800 2.100 2.082 2.125 . 0 0 "[ . 1 . 2]" 1 487 1 32 LYS HD2 1 32 LYS HG2 2.200 . 2.800 2.223 2.070 2.376 . 0 0 "[ . 1 . 2]" 1 488 1 33 ARG H 1 33 ARG HA 2.400 . 3.100 2.872 2.837 2.901 . 0 0 "[ . 1 . 2]" 1 489 1 33 ARG H 1 33 ARG HB2 2.600 . 3.500 2.505 2.078 3.646 0.146 12 0 "[ . 1 . 2]" 1 490 1 33 ARG H 1 33 ARG HB3 2.900 . 4.000 3.312 2.439 3.621 . 0 0 "[ . 1 . 2]" 1 491 1 33 ARG H 1 33 ARG QD 3.100 . 4.300 4.010 3.030 4.376 0.076 20 0 "[ . 1 . 2]" 1 492 1 33 ARG H 1 33 ARG QG 2.700 . 3.600 2.816 1.925 3.689 0.089 11 0 "[ . 1 . 2]" 1 493 1 33 ARG H 1 34 HIS H 2.400 . 3.100 2.484 2.398 2.638 . 0 0 "[ . 1 . 2]" 1 494 1 33 ARG H 1 34 HIS HB2 4.300 . 6.600 4.549 4.429 4.766 . 0 0 "[ . 1 . 2]" 1 495 1 33 ARG H 1 34 HIS HD2 3.900 . 5.800 4.733 4.345 5.029 . 0 0 "[ . 1 . 2]" 1 496 1 33 ARG HA 1 33 ARG HB2 2.200 . 6.000 2.863 2.343 3.025 . 0 0 "[ . 1 . 2]" 1 497 1 33 ARG HA 1 33 ARG HB3 2.400 . 3.100 2.616 2.362 2.898 . 0 0 "[ . 1 . 2]" 1 498 1 33 ARG HA 1 33 ARG QG 2.800 . 3.800 2.600 2.173 3.350 . 0 0 "[ . 1 . 2]" 1 499 1 33 ARG HA 1 34 HIS H 2.500 . 3.300 3.320 3.196 3.396 0.096 17 0 "[ . 1 . 2]" 1 500 1 33 ARG HA 1 35 MET H 2.600 . 3.500 3.485 3.106 3.584 0.084 9 0 "[ . 1 . 2]" 1 501 1 33 ARG HB2 1 33 ARG QD 2.500 . 3.300 2.715 2.069 3.578 0.278 8 0 "[ . 1 . 2]" 1 502 1 33 ARG HB3 1 33 ARG QD 2.700 . 3.600 2.647 1.973 3.294 . 0 0 "[ . 1 . 2]" 1 503 1 33 ARG HB3 1 33 ARG HE 3.000 . 4.100 3.307 1.828 4.531 0.431 2 0 "[ . 1 . 2]" 1 504 1 33 ARG QD 1 33 ARG HE 2.300 . 3.000 2.375 2.193 2.493 . 0 0 "[ . 1 . 2]" 1 505 1 33 ARG QD 1 33 ARG QG 3.300 . 4.700 2.017 1.923 2.084 . 0 0 "[ . 1 . 2]" 1 506 1 33 ARG HE 1 33 ARG QG 3.100 . 4.300 2.563 2.072 3.249 . 0 0 "[ . 1 . 2]" 1 507 1 34 HIS H 1 34 HIS HA 2.600 . 3.400 2.925 2.898 2.951 . 0 0 "[ . 1 . 2]" 1 508 1 34 HIS H 1 34 HIS HB2 2.700 . 3.600 2.412 2.295 2.525 . 0 0 "[ . 1 . 2]" 1 509 1 34 HIS H 1 34 HIS HB3 2.800 . 3.800 3.634 3.562 3.708 . 0 0 "[ . 1 . 2]" 1 510 1 34 HIS H 1 34 HIS HD2 2.700 . 6.000 3.769 3.438 4.051 . 0 0 "[ . 1 . 2]" 1 511 1 34 HIS H 1 35 MET H 2.300 . 3.000 2.280 2.090 2.670 . 0 0 "[ . 1 . 2]" 1 512 1 34 HIS HA 1 34 HIS HB3 2.500 . 3.300 2.536 2.469 2.623 . 0 0 "[ . 1 . 2]" 1 513 1 34 HIS HA 1 34 HIS HD2 3.300 . 4.700 4.611 4.434 4.723 0.023 19 0 "[ . 1 . 2]" 1 514 1 34 HIS HA 1 35 MET H 2.500 . 3.300 3.231 2.912 3.338 0.038 6 0 "[ . 1 . 2]" 1 515 1 34 HIS HB2 1 35 MET H 3.000 . 4.100 3.568 3.352 4.098 . 0 0 "[ . 1 . 2]" 1 516 1 34 HIS HB3 1 35 MET H 3.200 . 4.500 4.206 4.047 4.428 . 0 0 "[ . 1 . 2]" 1 517 1 35 MET H 1 35 MET HA 2.600 . 3.500 2.913 2.865 2.946 . 0 0 "[ . 1 . 2]" 1 518 1 35 MET H 1 35 MET HB2 2.500 . 3.300 2.436 2.111 2.683 . 0 0 "[ . 1 . 2]" 1 519 1 35 MET H 1 35 MET HB3 2.200 . 6.000 3.616 3.371 3.706 . 0 0 "[ . 1 . 2]" 1 520 1 35 MET H 1 35 MET HG2 2.800 . 3.800 3.462 2.195 3.877 0.077 11 0 "[ . 1 . 2]" 1 521 1 35 MET H 1 35 MET HG3 2.800 . 3.800 2.956 2.357 3.813 0.013 20 0 "[ . 1 . 2]" 1 522 1 35 MET H 1 36 LEU H 2.600 . 3.400 2.337 1.949 2.773 . 0 0 "[ . 1 . 2]" 1 523 1 35 MET HA 1 35 MET HB2 2.300 . 3.000 3.012 2.938 3.024 0.024 13 0 "[ . 1 . 2]" 1 524 1 35 MET HA 1 35 MET HB3 2.600 . 3.500 2.511 2.378 2.758 . 0 0 "[ . 1 . 2]" 1 525 1 35 MET HA 1 35 MET HG2 3.100 . 4.300 2.565 2.068 3.113 . 0 0 "[ . 1 . 2]" 1 526 1 35 MET HA 1 35 MET HG3 2.600 . 3.400 3.253 2.880 3.904 0.504 19 1 "[ . 1 . +2]" 1 527 1 35 MET HA 1 36 LEU H 2.200 . 6.000 3.351 2.952 3.560 . 0 0 "[ . 1 . 2]" 1 528 1 35 MET HB2 1 35 MET HG2 2.600 . 3.500 2.895 2.442 3.007 . 0 0 "[ . 1 . 2]" 1 529 1 35 MET HB2 1 35 MET HG3 2.700 . 3.600 2.381 2.204 2.689 . 0 0 "[ . 1 . 2]" 1 530 1 35 MET HB2 1 36 LEU H 3.000 . 4.100 3.111 2.048 3.999 . 0 0 "[ . 1 . 2]" 1 531 1 35 MET HB3 1 35 MET HG3 2.900 . 3.900 2.894 2.441 3.009 . 0 0 "[ . 1 . 2]" 1 532 1 36 LEU H 1 36 LEU HA 2.400 . 3.100 2.924 2.898 2.942 . 0 0 "[ . 1 . 2]" 1 533 1 36 LEU H 1 36 LEU QB 2.400 . 3.100 2.920 2.578 3.192 0.092 18 0 "[ . 1 . 2]" 1 534 1 36 LEU H 1 36 LEU HG 2.300 . 3.000 2.664 2.036 3.811 0.811 11 1 "[ . 1+ . 2]" 1 535 1 36 LEU H 1 37 VAL H 2.800 . 3.800 3.114 2.601 3.835 0.035 11 0 "[ . 1 . 2]" 1 536 1 36 LEU H 1 37 VAL HA 3.100 . 4.300 4.356 4.202 4.440 0.140 2 0 "[ . 1 . 2]" 1 537 1 36 LEU HA 1 36 LEU HB2 2.300 . 3.000 2.917 2.267 3.023 0.023 5 0 "[ . 1 . 2]" 1 538 1 36 LEU HA 1 37 VAL H 2.100 . 2.600 2.468 2.157 2.620 0.020 18 0 "[ . 1 . 2]" 1 539 1 36 LEU HG 1 37 VAL H 2.100 . 6.000 4.743 3.807 5.064 . 0 0 "[ . 1 . 2]" 1 540 1 37 VAL H 1 37 VAL HB 2.800 . 3.800 3.147 2.338 3.812 0.012 1 0 "[ . 1 . 2]" 1 stop_ save_
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