NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
609827 | 2n8f | 25848 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8f 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 1233 _Distance_constraint_stats_list.Viol_count 1457 _Distance_constraint_stats_list.Viol_total 540.318 _Distance_constraint_stats_list.Viol_max 0.335 _Distance_constraint_stats_list.Viol_rms 0.0084 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0011 _Distance_constraint_stats_list.Viol_average_violations_only 0.0185 _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 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 GLU 0.030 0.010 10 0 "[ . 1 . 2]" 1 4 CYS 0.013 0.005 6 0 "[ . 1 . 2]" 1 5 ILE 0.241 0.029 4 0 "[ . 1 . 2]" 1 6 ARG 0.213 0.036 10 0 "[ . 1 . 2]" 1 7 LYS 0.236 0.036 10 0 "[ . 1 . 2]" 1 8 TRP 0.052 0.008 10 0 "[ . 1 . 2]" 1 9 LEU 0.297 0.082 8 0 "[ . 1 . 2]" 1 10 SER 0.978 0.205 9 0 "[ . 1 . 2]" 1 11 CYS 1.203 0.335 8 0 "[ . 1 . 2]" 1 12 VAL 0.662 0.172 9 0 "[ . 1 . 2]" 1 14 ARG 0.056 0.010 7 0 "[ . 1 . 2]" 1 15 LYS 0.027 0.007 13 0 "[ . 1 . 2]" 1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ASP 0.049 0.021 4 0 "[ . 1 . 2]" 1 18 CYS 0.310 0.030 13 0 "[ . 1 . 2]" 1 19 CYS 0.137 0.029 8 0 "[ . 1 . 2]" 1 20 GLU 0.142 0.028 19 0 "[ . 1 . 2]" 1 21 GLY 0.094 0.022 18 0 "[ . 1 . 2]" 1 22 LEU 1.156 0.087 20 0 "[ . 1 . 2]" 1 23 GLU 1.579 0.119 20 0 "[ . 1 . 2]" 1 24 CYS 0.112 0.062 13 0 "[ . 1 . 2]" 1 25 TYR 0.113 0.035 20 0 "[ . 1 . 2]" 1 26 LYS 0.053 0.036 13 0 "[ . 1 . 2]" 1 27 ARG 0.138 0.078 20 0 "[ . 1 . 2]" 1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 HIS 0.139 0.079 17 0 "[ . 1 . 2]" 1 30 SER 0.118 0.078 20 0 "[ . 1 . 2]" 1 31 PHE 0.435 0.172 9 0 "[ . 1 . 2]" 1 32 GLU 0.373 0.090 2 0 "[ . 1 . 2]" 1 33 VAL 2.686 0.335 8 0 "[ . 1 . 2]" 1 34 CYS 0.822 0.076 2 0 "[ . 1 . 2]" 1 35 VAL 1.065 0.119 20 0 "[ . 1 . 2]" 1 36 PRO 0.551 0.043 2 0 "[ . 1 . 2]" 1 37 ILE 1.958 0.053 14 0 "[ . 1 . 2]" 1 38 PRO 0.032 0.009 15 0 "[ . 1 . 2]" 1 39 GLY 0.004 0.004 2 0 "[ . 1 . 2]" 1 40 PHE 2.207 0.053 14 0 "[ . 1 . 2]" 1 41 CYS 0.209 0.022 13 0 "[ . 1 . 2]" 1 42 LEU 1.592 0.050 20 0 "[ . 1 . 2]" 1 43 VAL 0.727 0.140 15 0 "[ . 1 . 2]" 1 44 LYS 1.415 0.042 16 0 "[ . 1 . 2]" 1 45 TRP 0.764 0.034 3 0 "[ . 1 . 2]" 1 46 LYS 1.896 0.140 15 0 "[ . 1 . 2]" 1 47 GLN 0.310 0.057 7 0 "[ . 1 . 2]" 1 48 CYS 0.411 0.041 3 0 "[ . 1 . 2]" 1 49 ASP 0.515 0.030 1 0 "[ . 1 . 2]" 1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 ARG 3.977 0.146 7 0 "[ . 1 . 2]" 1 52 GLU 0.592 0.051 19 0 "[ . 1 . 2]" 1 53 ARG 2.034 0.302 12 0 "[ . 1 . 2]" 1 54 ASP 0.615 0.053 1 0 "[ . 1 . 2]" 1 55 CYS 1.085 0.056 3 0 "[ . 1 . 2]" 1 56 CYS 0.678 0.047 20 0 "[ . 1 . 2]" 1 57 ALA 0.156 0.023 6 0 "[ . 1 . 2]" 1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 LEU 2.510 0.123 14 0 "[ . 1 . 2]" 1 60 GLU 0.081 0.011 11 0 "[ . 1 . 2]" 1 61 CYS 0.360 0.051 19 0 "[ . 1 . 2]" 1 62 TRP 1.491 0.047 4 0 "[ . 1 . 2]" 1 63 LYS 0.822 0.066 2 0 "[ . 1 . 2]" 1 64 ARG 0.433 0.034 16 0 "[ . 1 . 2]" 1 65 SER 0.031 0.010 1 0 "[ . 1 . 2]" 1 66 GLY 0.099 0.034 16 0 "[ . 1 . 2]" 1 67 ASN 0.016 0.014 14 0 "[ . 1 . 2]" 1 68 LYS 0.394 0.151 17 0 "[ . 1 . 2]" 1 69 SER 0.221 0.037 17 0 "[ . 1 . 2]" 1 70 SER 0.587 0.073 17 0 "[ . 1 . 2]" 1 71 VAL 1.424 0.073 17 0 "[ . 1 . 2]" 1 72 CYS 1.125 0.034 3 0 "[ . 1 . 2]" 1 73 ALA 0.807 0.047 4 0 "[ . 1 . 2]" 1 74 PRO 1.076 0.057 6 0 "[ . 1 . 2]" 1 75 ILE 0.146 0.018 14 0 "[ . 1 . 2]" 1 76 THR 0.284 0.063 17 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 19 CYS H 1 20 GLU H . . 4.540 4.346 4.342 4.351 . 0 0 "[ . 1 . 2]" 1 2 1 21 GLY H 1 22 LEU H . . 3.210 2.421 2.355 2.495 . 0 0 "[ . 1 . 2]" 1 3 1 3 GLU H 1 3 GLU QG . . 3.190 2.601 2.026 3.111 . 0 0 "[ . 1 . 2]" 1 4 1 3 GLU H 1 3 GLU HB3 . . 3.660 3.211 2.467 3.628 . 0 0 "[ . 1 . 2]" 1 5 1 2 ASN HB2 1 3 GLU H . . 4.540 3.775 2.278 4.462 . 0 0 "[ . 1 . 2]" 1 6 1 2 ASN HB3 1 3 GLU H . . 4.540 3.482 2.012 4.351 . 0 0 "[ . 1 . 2]" 1 7 1 3 GLU HB2 1 4 CYS H . . 3.790 3.134 2.134 3.773 . 0 0 "[ . 1 . 2]" 1 8 1 3 GLU HB3 1 4 CYS H . . 3.790 2.738 2.054 3.792 0.002 20 0 "[ . 1 . 2]" 1 9 1 4 CYS H 1 4 CYS HB3 . . 3.090 2.938 2.622 3.082 . 0 0 "[ . 1 . 2]" 1 10 1 3 GLU HA 1 4 CYS H . . 2.590 2.507 2.420 2.577 . 0 0 "[ . 1 . 2]" 1 11 1 5 ILE H 1 18 CYS HA . . 3.700 3.644 3.453 3.711 0.011 13 0 "[ . 1 . 2]" 1 12 1 4 CYS HB2 1 5 ILE H . . 3.290 2.238 2.201 2.298 . 0 0 "[ . 1 . 2]" 1 13 1 5 ILE H 1 5 ILE HB . . 3.160 2.517 2.488 2.586 . 0 0 "[ . 1 . 2]" 1 14 1 6 ARG HB2 1 7 LYS H . . 3.990 3.900 3.599 4.003 0.013 10 0 "[ . 1 . 2]" 1 15 1 6 ARG HA 1 7 LYS H . . 3.370 2.295 2.218 2.444 . 0 0 "[ . 1 . 2]" 1 16 1 37 ILE MG 1 40 PHE H . . 3.640 3.307 3.228 3.406 . 0 0 "[ . 1 . 2]" 1 17 1 42 LEU H 1 42 LEU MD2 . . 3.580 3.559 3.502 3.592 0.012 2 0 "[ . 1 . 2]" 1 18 1 43 VAL H 1 43 VAL MG2 . . 2.610 2.072 2.008 2.133 . 0 0 "[ . 1 . 2]" 1 19 1 42 LEU H 1 42 LEU HB2 . . 3.320 2.799 2.749 2.850 . 0 0 "[ . 1 . 2]" 1 20 1 42 LEU H 1 42 LEU HG . . 3.210 2.687 2.572 2.732 . 0 0 "[ . 1 . 2]" 1 21 1 41 CYS H 1 41 CYS HB3 . . 3.980 3.338 3.275 3.452 . 0 0 "[ . 1 . 2]" 1 22 1 40 PHE HA 1 41 CYS H . . 2.710 2.242 2.239 2.246 . 0 0 "[ . 1 . 2]" 1 23 1 39 GLY HA2 1 40 PHE H . . 3.560 3.193 3.156 3.245 . 0 0 "[ . 1 . 2]" 1 24 1 39 GLY HA3 1 40 PHE H . . 3.560 3.351 3.308 3.380 . 0 0 "[ . 1 . 2]" 1 25 1 38 PRO HB3 1 39 GLY H . . 4.100 3.969 3.908 4.104 0.004 2 0 "[ . 1 . 2]" 1 26 1 38 PRO HB2 1 39 GLY H . . 4.100 3.483 3.390 3.681 . 0 0 "[ . 1 . 2]" 1 27 1 38 PRO HA 1 39 GLY H . . 2.730 2.166 2.155 2.175 . 0 0 "[ . 1 . 2]" 1 28 1 39 GLY H 1 40 PHE H . . 3.440 2.570 2.405 2.633 . 0 0 "[ . 1 . 2]" 1 29 1 40 PHE QD 1 41 CYS H . . 3.550 2.705 2.579 2.902 . 0 0 "[ . 1 . 2]" 1 30 1 40 PHE H 1 40 PHE QD . . 4.090 4.112 4.097 4.128 0.038 12 0 "[ . 1 . 2]" 1 31 1 42 LEU H 1 43 VAL H . . 4.590 4.458 4.414 4.487 . 0 0 "[ . 1 . 2]" 1 32 1 41 CYS HB2 1 42 LEU H . . 3.250 1.987 1.946 2.038 . 0 0 "[ . 1 . 2]" 1 33 1 43 VAL H 1 46 LYS HG3 . . 3.360 2.389 1.933 2.643 . 0 0 "[ . 1 . 2]" 1 34 1 42 LEU H 1 55 CYS HA . . 3.400 2.027 1.944 2.136 . 0 0 "[ . 1 . 2]" 1 35 1 50 GLY H 1 51 ARG H . . 3.210 2.987 2.978 3.004 . 0 0 "[ . 1 . 2]" 1 36 1 52 GLU H 1 53 ARG H . . 3.380 2.614 2.515 2.655 . 0 0 "[ . 1 . 2]" 1 37 1 59 LEU H 1 60 GLU H . . 4.580 4.565 4.554 4.581 0.001 20 0 "[ . 1 . 2]" 1 38 1 60 GLU H 1 73 ALA H . . 3.310 2.349 2.315 2.375 . 0 0 "[ . 1 . 2]" 1 39 1 66 GLY H 1 67 ASN H . . 3.300 2.544 2.438 2.669 . 0 0 "[ . 1 . 2]" 1 40 1 4 CYS HA 1 5 ILE H . . 3.210 2.513 2.494 2.519 . 0 0 "[ . 1 . 2]" 1 41 1 3 GLU QG 1 4 CYS H . . 3.850 3.494 3.003 3.846 . 0 0 "[ . 1 . 2]" 1 42 1 46 LYS HA 1 47 GLN H . . 2.640 2.276 2.240 2.383 . 0 0 "[ . 1 . 2]" 1 43 1 47 GLN HB2 1 48 CYS H . . 4.420 4.308 4.245 4.429 0.009 7 0 "[ . 1 . 2]" 1 44 1 47 GLN HA 1 48 CYS H . . 2.920 2.205 2.156 2.234 . 0 0 "[ . 1 . 2]" 1 45 1 51 ARG HA 1 52 GLU H . . 3.310 2.809 2.726 2.856 . 0 0 "[ . 1 . 2]" 1 46 1 57 ALA H 1 57 ALA MB . . 2.600 2.123 2.054 2.226 . 0 0 "[ . 1 . 2]" 1 47 1 59 LEU HA 1 60 GLU H . . 2.850 2.503 2.466 2.524 . 0 0 "[ . 1 . 2]" 1 48 1 60 GLU H 1 60 GLU QB . . 3.280 3.206 3.161 3.240 . 0 0 "[ . 1 . 2]" 1 49 1 60 GLU H 1 60 GLU HG2 . . 3.220 2.619 2.563 2.704 . 0 0 "[ . 1 . 2]" 1 50 1 31 PHE H 1 31 PHE QD . . 3.680 2.292 1.939 3.672 . 0 0 "[ . 1 . 2]" 1 51 1 74 PRO HA 1 75 ILE H . . 2.790 2.459 2.405 2.484 . 0 0 "[ . 1 . 2]" 1 52 1 74 PRO HB3 1 75 ILE H . . 3.510 3.383 3.355 3.448 . 0 0 "[ . 1 . 2]" 1 53 1 74 PRO HB2 1 75 ILE H . . 3.710 2.471 2.411 2.603 . 0 0 "[ . 1 . 2]" 1 54 1 75 ILE H 1 75 ILE HB . . 3.610 3.602 3.601 3.605 . 0 0 "[ . 1 . 2]" 1 55 1 75 ILE H 1 75 ILE HG12 . . 3.140 2.077 2.063 2.086 . 0 0 "[ . 1 . 2]" 1 56 1 75 ILE H 1 75 ILE HG13 . . 3.270 2.722 2.692 2.752 . 0 0 "[ . 1 . 2]" 1 57 1 75 ILE H 1 75 ILE MG . . 3.370 2.403 2.371 2.461 . 0 0 "[ . 1 . 2]" 1 58 1 33 VAL HB 1 34 CYS H . . 3.760 2.477 2.140 3.797 0.037 8 0 "[ . 1 . 2]" 1 59 1 37 ILE H 1 37 ILE HB . . 3.640 2.493 2.480 2.510 . 0 0 "[ . 1 . 2]" 1 60 1 10 SER H 1 10 SER HB3 . . 4.110 3.659 3.429 3.871 . 0 0 "[ . 1 . 2]" 1 61 1 30 SER HB2 1 31 PHE H . . 4.480 3.741 2.240 4.275 . 0 0 "[ . 1 . 2]" 1 62 1 30 SER HB3 1 31 PHE H . . 4.480 2.811 1.947 4.029 . 0 0 "[ . 1 . 2]" 1 63 1 35 VAL H 1 35 VAL HB . . 3.930 3.805 3.720 3.859 . 0 0 "[ . 1 . 2]" 1 64 1 43 VAL HB 1 44 LYS H . . 2.900 1.916 1.889 1.932 . 0 0 "[ . 1 . 2]" 1 65 1 26 LYS H 1 26 LYS HB3 . . 3.800 3.116 2.441 3.691 . 0 0 "[ . 1 . 2]" 1 66 1 26 LYS H 1 26 LYS QG . . 4.270 2.985 1.934 4.161 . 0 0 "[ . 1 . 2]" 1 67 1 21 GLY H 1 22 LEU HG . . 4.830 4.611 4.520 4.714 . 0 0 "[ . 1 . 2]" 1 68 1 21 GLY H 1 22 LEU HB2 . . 4.850 4.659 4.569 4.781 . 0 0 "[ . 1 . 2]" 1 69 1 21 GLY H 1 37 ILE MD . . 4.010 3.763 3.501 4.012 0.002 15 0 "[ . 1 . 2]" 1 70 1 22 LEU H 1 22 LEU MD2 . . 3.850 3.768 3.626 3.829 . 0 0 "[ . 1 . 2]" 1 71 1 22 LEU H 1 22 LEU HG . . 3.360 3.212 3.034 3.329 . 0 0 "[ . 1 . 2]" 1 72 1 22 LEU H 1 22 LEU HB2 . . 3.430 2.601 2.513 2.651 . 0 0 "[ . 1 . 2]" 1 73 1 20 GLU HA 1 22 LEU H . . 3.850 3.780 3.594 3.858 0.008 18 0 "[ . 1 . 2]" 1 74 1 21 GLY H 1 22 LEU MD2 . . 5.260 5.221 5.123 5.276 0.016 8 0 "[ . 1 . 2]" 1 75 1 20 GLU H 1 20 GLU HB3 . . 3.050 2.494 2.401 2.618 . 0 0 "[ . 1 . 2]" 1 76 1 20 GLU H 1 20 GLU HB2 . . 3.050 2.699 2.557 2.846 . 0 0 "[ . 1 . 2]" 1 77 1 19 CYS HB2 1 20 GLU H . . 3.660 3.632 3.607 3.663 0.003 19 0 "[ . 1 . 2]" 1 78 1 19 CYS HB3 1 20 GLU H . . 3.110 2.315 2.202 2.398 . 0 0 "[ . 1 . 2]" 1 79 1 19 CYS HA 1 20 GLU H . . 2.920 2.710 2.687 2.722 . 0 0 "[ . 1 . 2]" 1 80 1 20 GLU H 1 21 GLY H . . 4.510 4.377 4.363 4.394 . 0 0 "[ . 1 . 2]" 1 81 1 22 LEU HA 1 23 GLU H . . 3.100 2.352 2.241 2.454 . 0 0 "[ . 1 . 2]" 1 82 1 23 GLU H 1 35 VAL MG2 . . 3.230 2.895 2.544 3.238 0.008 15 0 "[ . 1 . 2]" 1 83 1 23 GLU H 1 37 ILE MD . . 3.860 3.624 3.417 3.829 . 0 0 "[ . 1 . 2]" 1 84 1 23 GLU HA 1 24 CYS H . . 3.220 2.342 2.181 2.466 . 0 0 "[ . 1 . 2]" 1 85 1 47 GLN HE22 1 69 SER QB . . 4.040 3.395 3.206 3.608 . 0 0 "[ . 1 . 2]" 1 86 1 47 GLN HE22 1 47 GLN HG3 . . 3.670 3.523 3.457 3.600 . 0 0 "[ . 1 . 2]" 1 87 1 62 TRP HA 1 62 TRP HE1 . . 4.670 4.511 4.502 4.522 . 0 0 "[ . 1 . 2]" 1 88 1 62 TRP HE1 1 64 ARG QD . . 4.720 4.160 3.917 4.606 . 0 0 "[ . 1 . 2]" 1 89 1 62 TRP H 1 62 TRP HB2 . . 3.150 2.399 2.379 2.439 . 0 0 "[ . 1 . 2]" 1 90 1 62 TRP H 1 62 TRP HB3 . . 3.220 2.759 2.744 2.770 . 0 0 "[ . 1 . 2]" 1 91 1 62 TRP H 1 71 VAL MG2 . . 4.600 4.365 4.310 4.390 . 0 0 "[ . 1 . 2]" 1 92 1 62 TRP H 1 72 CYS HA . . 3.530 1.997 1.941 2.123 . 0 0 "[ . 1 . 2]" 1 93 1 62 TRP H 1 62 TRP HE3 . . 5.060 5.049 5.033 5.069 0.009 17 0 "[ . 1 . 2]" 1 94 1 62 TRP H 1 71 VAL H . . 4.640 4.585 4.402 4.645 0.005 20 0 "[ . 1 . 2]" 1 95 1 44 LYS HG2 1 45 TRP HE1 . . 4.210 3.329 3.211 3.505 . 0 0 "[ . 1 . 2]" 1 96 1 18 CYS H 1 18 CYS HB2 . . 3.850 2.159 2.089 2.286 . 0 0 "[ . 1 . 2]" 1 97 1 18 CYS H 1 18 CYS HB3 . . 3.850 3.467 3.385 3.548 . 0 0 "[ . 1 . 2]" 1 98 1 18 CYS H 1 19 CYS H . . 4.580 3.073 2.991 3.152 . 0 0 "[ . 1 . 2]" 1 99 1 19 CYS H 1 19 CYS HB3 . . 3.740 3.568 3.535 3.650 . 0 0 "[ . 1 . 2]" 1 100 1 68 LYS HB2 1 69 SER H . . 3.920 3.403 1.946 3.708 . 0 0 "[ . 1 . 2]" 1 101 1 69 SER H 1 71 VAL MG1 . . 4.450 4.346 4.053 4.487 0.037 17 0 "[ . 1 . 2]" 1 102 1 69 SER H 1 69 SER QB . . 3.040 2.214 2.125 2.303 . 0 0 "[ . 1 . 2]" 1 103 1 68 LYS HA 1 69 SER H . . 2.840 2.604 2.582 2.645 . 0 0 "[ . 1 . 2]" 1 104 1 25 TYR H 1 35 VAL MG2 . . 4.410 3.196 2.599 3.803 . 0 0 "[ . 1 . 2]" 1 105 1 3 GLU H 1 3 GLU HB2 . . 3.660 2.760 2.180 3.656 . 0 0 "[ . 1 . 2]" 1 106 1 4 CYS H 1 5 ILE H . . 4.600 4.488 4.441 4.554 . 0 0 "[ . 1 . 2]" 1 107 1 5 ILE H 1 6 ARG H . . 4.700 4.522 4.402 4.611 . 0 0 "[ . 1 . 2]" 1 108 1 6 ARG HG2 1 7 LYS H . . 4.760 4.576 4.197 4.764 0.004 4 0 "[ . 1 . 2]" 1 109 1 8 TRP H 1 9 LEU H . . 3.980 2.854 2.823 2.900 . 0 0 "[ . 1 . 2]" 1 110 1 19 CYS H 1 22 LEU HB2 . . 3.810 2.941 2.753 3.039 . 0 0 "[ . 1 . 2]" 1 111 1 23 GLU H 1 37 ILE H . . 4.550 4.479 3.997 4.566 0.016 7 0 "[ . 1 . 2]" 1 112 1 25 TYR H 1 26 LYS H . . 4.880 4.538 4.468 4.573 . 0 0 "[ . 1 . 2]" 1 113 1 15 LYS H 1 15 LYS QB . . 3.830 2.583 2.333 2.718 . 0 0 "[ . 1 . 2]" 1 114 1 61 CYS H 1 62 TRP H . . 4.270 4.212 4.170 4.240 . 0 0 "[ . 1 . 2]" 1 115 1 60 GLU HA 1 61 CYS H . . 3.040 2.349 2.298 2.453 . 0 0 "[ . 1 . 2]" 1 116 1 61 CYS H 1 61 CYS HB2 . . 3.120 2.315 2.265 2.398 . 0 0 "[ . 1 . 2]" 1 117 1 63 LYS H 1 64 ARG H . . 4.130 4.121 4.082 4.154 0.024 17 0 "[ . 1 . 2]" 1 118 1 62 TRP HB2 1 63 LYS H . . 4.420 4.334 4.304 4.388 . 0 0 "[ . 1 . 2]" 1 119 1 62 TRP HB3 1 63 LYS H . . 4.000 3.933 3.872 4.014 0.014 2 0 "[ . 1 . 2]" 1 120 1 62 TRP HA 1 63 LYS H . . 2.860 2.166 2.149 2.179 . 0 0 "[ . 1 . 2]" 1 121 1 62 TRP H 1 73 ALA H . . 4.360 3.286 3.229 3.368 . 0 0 "[ . 1 . 2]" 1 122 1 45 TRP H 1 72 CYS H . . 4.980 4.859 4.825 4.894 . 0 0 "[ . 1 . 2]" 1 123 1 44 LYS H 1 45 TRP H . . 3.600 2.555 2.547 2.571 . 0 0 "[ . 1 . 2]" 1 124 1 45 TRP H 1 45 TRP HD1 . . 4.240 3.610 3.432 3.694 . 0 0 "[ . 1 . 2]" 1 125 1 43 VAL MG2 1 45 TRP H . . 3.710 1.974 1.885 1.989 . 0 0 "[ . 1 . 2]" 1 126 1 44 LYS HG2 1 45 TRP H . . 3.850 2.956 2.885 2.996 . 0 0 "[ . 1 . 2]" 1 127 1 37 ILE HB 1 40 PHE H . . 4.110 4.039 3.981 4.098 . 0 0 "[ . 1 . 2]" 1 128 1 39 GLY H 1 40 PHE HB3 . . 4.650 4.536 4.385 4.627 . 0 0 "[ . 1 . 2]" 1 129 1 41 CYS H 1 42 LEU H . . 4.590 4.333 4.328 4.342 . 0 0 "[ . 1 . 2]" 1 130 1 41 CYS HA 1 42 LEU H . . 3.080 2.705 2.681 2.715 . 0 0 "[ . 1 . 2]" 1 131 1 42 LEU H 1 43 VAL MG1 . . 5.110 4.881 4.764 4.959 . 0 0 "[ . 1 . 2]" 1 132 1 42 LEU H 1 42 LEU HB3 . . 3.910 3.820 3.794 3.837 . 0 0 "[ . 1 . 2]" 1 133 1 42 LEU H 1 42 LEU MD1 . . 3.990 3.977 3.866 4.006 0.016 8 0 "[ . 1 . 2]" 1 134 1 42 LEU HB3 1 43 VAL H . . 3.650 2.359 2.142 2.509 . 0 0 "[ . 1 . 2]" 1 135 1 43 VAL H 1 46 LYS HG2 . . 3.960 3.757 3.424 3.934 . 0 0 "[ . 1 . 2]" 1 136 1 45 TRP H 1 46 LYS H . . 3.430 2.250 2.181 2.429 . 0 0 "[ . 1 . 2]" 1 137 1 46 LYS H 1 72 CYS H . . 3.590 3.177 2.951 3.275 . 0 0 "[ . 1 . 2]" 1 138 1 44 LYS H 1 46 LYS H . . 4.510 4.346 4.265 4.535 0.025 7 0 "[ . 1 . 2]" 1 139 1 43 VAL H 1 46 LYS H . . 4.160 3.711 3.601 3.978 . 0 0 "[ . 1 . 2]" 1 140 1 44 LYS HA 1 46 LYS H . . 3.950 3.717 3.700 3.738 . 0 0 "[ . 1 . 2]" 1 141 1 46 LYS H 1 72 CYS HB2 . . 3.590 3.474 3.217 3.596 0.006 6 0 "[ . 1 . 2]" 1 142 1 46 LYS H 1 71 VAL HB . . 3.930 3.703 3.442 3.812 . 0 0 "[ . 1 . 2]" 1 143 1 43 VAL MG2 1 46 LYS H . . 3.340 2.466 2.323 2.726 . 0 0 "[ . 1 . 2]" 1 144 1 46 LYS H 1 59 LEU MD1 . . 5.500 4.972 4.647 5.623 0.123 14 0 "[ . 1 . 2]" 1 145 1 47 GLN H 1 48 CYS H . . 4.780 4.608 4.549 4.628 . 0 0 "[ . 1 . 2]" 1 146 1 47 GLN H 1 47 GLN HG2 . . 4.480 4.321 4.273 4.376 . 0 0 "[ . 1 . 2]" 1 147 1 47 GLN H 1 47 GLN HG3 . . 3.340 3.231 3.135 3.359 0.019 7 0 "[ . 1 . 2]" 1 148 1 46 LYS HG2 1 47 GLN H . . 4.290 4.241 4.184 4.347 0.057 7 0 "[ . 1 . 2]" 1 149 1 48 CYS H 1 71 VAL HA . . 3.220 2.459 2.346 2.520 . 0 0 "[ . 1 . 2]" 1 150 1 48 CYS H 1 49 ASP HA . . 4.750 4.637 4.571 4.765 0.015 15 0 "[ . 1 . 2]" 1 151 1 48 CYS H 1 49 ASP H . . 3.140 2.069 1.984 2.232 . 0 0 "[ . 1 . 2]" 1 152 1 48 CYS H 1 48 CYS HB2 . . 3.760 3.712 3.659 3.743 . 0 0 "[ . 1 . 2]" 1 153 1 49 ASP H 1 69 SER QB . . 5.480 5.307 5.234 5.365 . 0 0 "[ . 1 . 2]" 1 154 1 49 ASP H 1 70 SER HB3 . . 4.680 4.480 2.973 4.696 0.016 2 0 "[ . 1 . 2]" 1 155 1 48 CYS H 1 48 CYS HB3 . . 3.870 2.688 2.567 2.744 . 0 0 "[ . 1 . 2]" 1 156 1 47 GLN HG3 1 48 CYS H . . 4.220 4.034 3.924 4.229 0.009 7 0 "[ . 1 . 2]" 1 157 1 47 GLN HG2 1 48 CYS H . . 3.630 3.552 3.436 3.645 0.015 7 0 "[ . 1 . 2]" 1 158 1 47 GLN HB3 1 48 CYS H . . 3.800 3.200 3.081 3.440 . 0 0 "[ . 1 . 2]" 1 159 1 48 CYS H 1 71 VAL HB . . 4.980 4.914 4.775 4.984 0.004 3 0 "[ . 1 . 2]" 1 160 1 48 CYS H 1 71 VAL MG1 . . 3.950 3.949 3.921 3.965 0.015 8 0 "[ . 1 . 2]" 1 161 1 49 ASP HA 1 51 ARG H . . 3.900 3.775 3.771 3.781 . 0 0 "[ . 1 . 2]" 1 162 1 51 ARG H 1 52 GLU H . . 3.080 2.867 2.781 3.014 . 0 0 "[ . 1 . 2]" 1 163 1 50 GLY H 1 52 GLU H . . 4.160 3.539 3.445 3.742 . 0 0 "[ . 1 . 2]" 1 164 1 49 ASP HA 1 52 GLU H . . 5.030 4.813 4.685 5.044 0.014 3 0 "[ . 1 . 2]" 1 165 1 52 GLU H 1 61 CYS HB2 . . 5.500 4.742 4.611 4.797 . 0 0 "[ . 1 . 2]" 1 166 1 48 CYS HB2 1 52 GLU H . . 5.080 4.812 4.699 4.944 . 0 0 "[ . 1 . 2]" 1 167 1 52 GLU H 1 52 GLU QB . . 2.890 2.444 2.403 2.556 . 0 0 "[ . 1 . 2]" 1 168 1 52 GLU H 1 52 GLU QG . . 3.110 2.200 1.994 2.261 . 0 0 "[ . 1 . 2]" 1 169 1 51 ARG HB2 1 52 GLU H . . 4.310 4.221 4.168 4.273 . 0 0 "[ . 1 . 2]" 1 170 1 52 GLU QB 1 53 ARG H . . 3.740 3.703 3.679 3.741 0.001 15 0 "[ . 1 . 2]" 1 171 1 52 GLU QG 1 53 ARG H . . 3.910 2.566 2.453 2.695 . 0 0 "[ . 1 . 2]" 1 172 1 53 ARG HA 1 54 ASP H . . 3.440 3.018 2.972 3.455 0.015 3 0 "[ . 1 . 2]" 1 173 1 42 LEU MD1 1 54 ASP H . . 3.700 3.401 3.285 3.680 . 0 0 "[ . 1 . 2]" 1 174 1 54 ASP H 1 55 CYS H . . 3.140 1.939 1.871 2.621 . 0 0 "[ . 1 . 2]" 1 175 1 53 ARG HA 1 55 CYS H . . 3.990 3.918 3.777 3.959 . 0 0 "[ . 1 . 2]" 1 176 1 55 CYS H 1 55 CYS HB2 . . 3.180 2.639 2.615 2.645 . 0 0 "[ . 1 . 2]" 1 177 1 42 LEU MD2 1 55 CYS H . . 5.130 4.922 4.832 5.018 . 0 0 "[ . 1 . 2]" 1 178 1 55 CYS H 1 59 LEU HB3 . . 5.500 5.358 4.922 5.532 0.032 3 0 "[ . 1 . 2]" 1 179 1 42 LEU HB2 1 55 CYS H . . 4.710 4.099 4.072 4.124 . 0 0 "[ . 1 . 2]" 1 180 1 42 LEU H 1 56 CYS H . . 3.590 2.322 2.275 2.419 . 0 0 "[ . 1 . 2]" 1 181 1 55 CYS H 1 56 CYS H . . 4.740 4.637 4.632 4.647 . 0 0 "[ . 1 . 2]" 1 182 1 56 CYS H 1 57 ALA H . . 4.570 4.551 4.517 4.562 . 0 0 "[ . 1 . 2]" 1 183 1 56 CYS H 1 59 LEU H . . 5.000 4.709 4.596 4.775 . 0 0 "[ . 1 . 2]" 1 184 1 55 CYS HA 1 56 CYS H . . 3.050 2.437 2.362 2.458 . 0 0 "[ . 1 . 2]" 1 185 1 43 VAL HA 1 56 CYS H . . 4.250 4.257 4.102 4.297 0.047 20 0 "[ . 1 . 2]" 1 186 1 56 CYS H 1 56 CYS HB3 . . 3.550 3.446 3.302 3.548 . 0 0 "[ . 1 . 2]" 1 187 1 41 CYS HB2 1 56 CYS H . . 3.720 2.853 2.784 2.999 . 0 0 "[ . 1 . 2]" 1 188 1 56 CYS H 1 56 CYS HB2 . . 3.290 2.146 2.076 2.285 . 0 0 "[ . 1 . 2]" 1 189 1 42 LEU HB2 1 56 CYS H . . 3.690 3.324 3.272 3.411 . 0 0 "[ . 1 . 2]" 1 190 1 56 CYS HB2 1 57 ALA H . . 3.620 3.610 3.421 3.643 0.023 6 0 "[ . 1 . 2]" 1 191 1 41 CYS HB2 1 57 ALA H . . 4.750 4.629 4.579 4.714 . 0 0 "[ . 1 . 2]" 1 192 1 56 CYS HB3 1 57 ALA H . . 2.990 2.112 1.985 2.160 . 0 0 "[ . 1 . 2]" 1 193 1 56 CYS HA 1 57 ALA H . . 2.820 2.599 2.582 2.657 . 0 0 "[ . 1 . 2]" 1 194 1 57 ALA H 1 58 GLY H . . 4.660 4.535 4.464 4.580 . 0 0 "[ . 1 . 2]" 1 195 1 59 LEU H 1 74 PRO HA . . 4.340 4.287 4.236 4.347 0.007 16 0 "[ . 1 . 2]" 1 196 1 55 CYS HB2 1 59 LEU H . . 4.760 4.515 4.407 4.608 . 0 0 "[ . 1 . 2]" 1 197 1 55 CYS HB3 1 59 LEU H . . 4.710 4.532 4.383 4.615 . 0 0 "[ . 1 . 2]" 1 198 1 60 GLU H 1 74 PRO HA . . 4.300 4.205 4.176 4.235 . 0 0 "[ . 1 . 2]" 1 199 1 55 CYS HB3 1 60 GLU H . . 4.340 4.286 4.140 4.350 0.010 7 0 "[ . 1 . 2]" 1 200 1 60 GLU H 1 72 CYS HB3 . . 4.210 3.531 3.505 3.580 . 0 0 "[ . 1 . 2]" 1 201 1 59 LEU MD2 1 60 GLU H . . 4.050 3.071 2.780 3.879 . 0 0 "[ . 1 . 2]" 1 202 1 59 LEU MD1 1 60 GLU H . . 4.050 3.869 3.336 4.061 0.011 11 0 "[ . 1 . 2]" 1 203 1 64 ARG H 1 65 SER H . . 4.430 4.391 4.330 4.436 0.006 11 0 "[ . 1 . 2]" 1 204 1 64 ARG H 1 70 SER HA . . 3.490 2.664 2.343 2.820 . 0 0 "[ . 1 . 2]" 1 205 1 65 SER H 1 66 GLY H . . 4.520 4.359 4.317 4.395 . 0 0 "[ . 1 . 2]" 1 206 1 64 ARG HG2 1 65 SER H . . 4.430 3.700 3.553 3.835 . 0 0 "[ . 1 . 2]" 1 207 1 65 SER HA 1 67 ASN H . . 3.650 3.431 3.393 3.479 . 0 0 "[ . 1 . 2]" 1 208 1 66 GLY HA2 1 67 ASN H . . 3.530 3.455 3.419 3.495 . 0 0 "[ . 1 . 2]" 1 209 1 67 ASN H 1 68 LYS H . . 3.460 2.156 1.968 2.194 . 0 0 "[ . 1 . 2]" 1 210 1 68 LYS H 1 69 SER H . . 4.390 4.364 4.357 4.371 . 0 0 "[ . 1 . 2]" 1 211 1 69 SER HA 1 70 SER H . . 2.950 2.562 2.530 2.575 . 0 0 "[ . 1 . 2]" 1 212 1 69 SER QB 1 70 SER H . . 3.160 2.108 2.072 2.173 . 0 0 "[ . 1 . 2]" 1 213 1 70 SER H 1 70 SER HB3 . . 3.560 2.802 2.208 3.560 . 0 0 "[ . 1 . 2]" 1 214 1 49 ASP H 1 70 SER H . . 5.060 5.060 5.008 5.090 0.030 1 0 "[ . 1 . 2]" 1 215 1 69 SER H 1 70 SER H . . 4.580 4.579 4.549 4.599 0.019 15 0 "[ . 1 . 2]" 1 216 1 70 SER H 1 71 VAL H . . 4.740 4.501 4.468 4.579 . 0 0 "[ . 1 . 2]" 1 217 1 71 VAL H 1 71 VAL MG1 . . 3.520 3.063 3.005 3.118 . 0 0 "[ . 1 . 2]" 1 218 1 63 LYS HA 1 71 VAL H . . 4.340 4.221 3.943 4.323 . 0 0 "[ . 1 . 2]" 1 219 1 47 GLN HA 1 71 VAL H . . 4.760 4.572 4.545 4.623 . 0 0 "[ . 1 . 2]" 1 220 1 70 SER HA 1 71 VAL H . . 2.890 2.142 2.138 2.174 . 0 0 "[ . 1 . 2]" 1 221 1 72 CYS H 1 73 ALA H . . 4.660 4.547 4.543 4.555 . 0 0 "[ . 1 . 2]" 1 222 1 71 VAL HA 1 72 CYS H . . 2.870 2.568 2.565 2.576 . 0 0 "[ . 1 . 2]" 1 223 1 47 GLN HA 1 72 CYS H . . 4.190 3.974 3.937 4.061 . 0 0 "[ . 1 . 2]" 1 224 1 45 TRP HA 1 72 CYS H . . 4.410 4.430 4.412 4.444 0.034 3 0 "[ . 1 . 2]" 1 225 1 72 CYS H 1 72 CYS HB2 . . 3.130 2.277 2.250 2.291 . 0 0 "[ . 1 . 2]" 1 226 1 72 CYS H 1 72 CYS HB3 . . 3.580 3.352 3.314 3.418 . 0 0 "[ . 1 . 2]" 1 227 1 46 LYS HB2 1 72 CYS H . . 4.660 4.608 4.348 4.671 0.011 14 0 "[ . 1 . 2]" 1 228 1 71 VAL HB 1 72 CYS H . . 3.020 2.026 2.005 2.039 . 0 0 "[ . 1 . 2]" 1 229 1 46 LYS HB3 1 72 CYS H . . 5.250 5.239 5.181 5.265 0.015 12 0 "[ . 1 . 2]" 1 230 1 72 CYS H 1 73 ALA MB . . 4.970 4.941 4.928 4.983 0.013 15 0 "[ . 1 . 2]" 1 231 1 71 VAL MG2 1 72 CYS H . . 3.510 3.298 3.181 3.365 . 0 0 "[ . 1 . 2]" 1 232 1 71 VAL MG1 1 72 CYS H . . 3.550 3.437 3.369 3.504 . 0 0 "[ . 1 . 2]" 1 233 1 59 LEU HB3 1 73 ALA H . . 4.480 3.874 3.631 4.468 . 0 0 "[ . 1 . 2]" 1 234 1 59 LEU MD1 1 73 ALA H . . 4.580 4.349 3.774 4.583 0.003 9 0 "[ . 1 . 2]" 1 235 1 71 VAL MG2 1 73 ALA H . . 5.370 5.169 4.986 5.279 . 0 0 "[ . 1 . 2]" 1 236 1 73 ALA H 1 73 ALA MB . . 3.020 2.668 2.614 2.678 . 0 0 "[ . 1 . 2]" 1 237 1 60 GLU QB 1 73 ALA H . . 4.690 4.553 4.514 4.605 . 0 0 "[ . 1 . 2]" 1 238 1 72 CYS HB3 1 73 ALA H . . 3.790 2.913 2.859 2.955 . 0 0 "[ . 1 . 2]" 1 239 1 72 CYS HB2 1 73 ALA H . . 4.340 4.133 4.118 4.149 . 0 0 "[ . 1 . 2]" 1 240 1 73 ALA H 1 74 PRO HD3 . . 4.970 4.895 4.872 4.912 . 0 0 "[ . 1 . 2]" 1 241 1 72 CYS HA 1 73 ALA H . . 2.790 2.313 2.296 2.324 . 0 0 "[ . 1 . 2]" 1 242 1 59 LEU HA 1 75 ILE H . . 4.030 3.938 3.792 4.043 0.013 8 0 "[ . 1 . 2]" 1 243 1 75 ILE HA 1 76 THR H . . 2.670 2.286 2.264 2.290 . 0 0 "[ . 1 . 2]" 1 244 1 75 ILE MG 1 76 THR H . . 3.550 3.553 3.540 3.568 0.018 14 0 "[ . 1 . 2]" 1 245 1 75 ILE HB 1 76 THR H . . 3.390 2.683 2.672 2.751 . 0 0 "[ . 1 . 2]" 1 246 1 75 ILE HG13 1 76 THR H . . 4.550 4.204 4.190 4.247 . 0 0 "[ . 1 . 2]" 1 247 1 23 GLU H 1 37 ILE HG13 . . 5.040 3.270 2.956 3.499 . 0 0 "[ . 1 . 2]" 1 248 1 7 LYS H 1 8 TRP H . . 4.760 4.610 4.574 4.629 . 0 0 "[ . 1 . 2]" 1 249 1 5 ILE MD 1 17 ASP H . . 4.540 3.894 3.433 4.457 . 0 0 "[ . 1 . 2]" 1 250 1 5 ILE MD 1 18 CYS H . . 4.640 3.790 3.467 4.131 . 0 0 "[ . 1 . 2]" 1 251 1 41 CYS H 1 42 LEU MD2 . . 4.380 4.230 4.065 4.387 0.007 3 0 "[ . 1 . 2]" 1 252 1 46 LYS H 1 72 CYS HB3 . . 4.570 4.369 4.326 4.409 . 0 0 "[ . 1 . 2]" 1 253 1 46 LYS H 1 47 GLN H . . 4.610 4.495 4.485 4.509 . 0 0 "[ . 1 . 2]" 1 254 1 48 CYS H 1 71 VAL H . . 4.460 4.284 4.219 4.333 . 0 0 "[ . 1 . 2]" 1 255 1 42 LEU HB3 1 55 CYS H . . 5.500 5.530 5.507 5.550 0.050 20 0 "[ . 1 . 2]" 1 256 1 52 GLU HA 1 61 CYS H . . 4.280 3.961 3.803 4.151 . 0 0 "[ . 1 . 2]" 1 257 1 64 ARG H 1 71 VAL H . . 4.660 3.414 3.229 3.498 . 0 0 "[ . 1 . 2]" 1 258 1 62 TRP HE3 1 71 VAL H . . 5.130 5.136 5.084 5.155 0.025 3 0 "[ . 1 . 2]" 1 259 1 28 ARG H 1 28 ARG QG . . 4.330 2.993 1.943 4.056 . 0 0 "[ . 1 . 2]" 1 260 1 18 CYS HB3 1 19 CYS H . . 4.100 2.491 2.339 2.662 . 0 0 "[ . 1 . 2]" 1 261 1 18 CYS HB2 1 19 CYS H . . 4.100 2.464 2.276 2.623 . 0 0 "[ . 1 . 2]" 1 262 1 9 LEU H 1 22 LEU MD1 . . 5.500 5.337 5.031 5.512 0.012 2 0 "[ . 1 . 2]" 1 263 1 9 LEU H 1 33 VAL HB . . 4.550 2.740 2.178 4.632 0.082 8 0 "[ . 1 . 2]" 1 264 1 47 GLN HG3 1 70 SER H . . 5.070 4.809 4.629 4.944 . 0 0 "[ . 1 . 2]" 1 265 1 2 ASN HA 1 3 GLU H . . 2.940 2.310 2.141 2.630 . 0 0 "[ . 1 . 2]" 1 266 1 5 ILE H 1 19 CYS HB2 . . 4.590 4.125 3.864 4.333 . 0 0 "[ . 1 . 2]" 1 267 1 11 CYS H 1 33 VAL HB . . 4.130 3.935 3.382 4.465 0.335 8 0 "[ . 1 . 2]" 1 268 1 11 CYS H 1 12 VAL H . . 4.360 2.171 2.119 2.417 . 0 0 "[ . 1 . 2]" 1 269 1 7 LYS H 1 7 LYS QE . . 4.610 4.418 4.042 4.609 . 0 0 "[ . 1 . 2]" 1 270 1 7 LYS H 1 22 LEU MD1 . . 3.980 3.480 3.132 3.963 . 0 0 "[ . 1 . 2]" 1 271 1 17 ASP H 1 18 CYS H . . 4.160 2.672 2.395 2.922 . 0 0 "[ . 1 . 2]" 1 272 1 21 GLY H 1 22 LEU HA . . 5.140 5.103 5.044 5.162 0.022 18 0 "[ . 1 . 2]" 1 273 1 22 LEU H 1 37 ILE MD . . 3.380 2.762 2.568 3.251 . 0 0 "[ . 1 . 2]" 1 274 1 22 LEU H 1 23 GLU H . . 4.560 4.466 4.433 4.512 . 0 0 "[ . 1 . 2]" 1 275 1 22 LEU HG 1 23 GLU H . . 5.400 4.929 4.800 5.036 . 0 0 "[ . 1 . 2]" 1 276 1 23 GLU H 1 35 VAL MG1 . . 5.500 4.891 4.656 5.198 . 0 0 "[ . 1 . 2]" 1 277 1 18 CYS HB3 1 23 GLU H . . 5.180 4.726 4.501 4.894 . 0 0 "[ . 1 . 2]" 1 278 1 23 GLU H 1 37 ILE HA . . 5.500 5.282 4.858 5.509 0.009 8 0 "[ . 1 . 2]" 1 279 1 23 GLU H 1 35 VAL H . . 3.450 2.329 2.037 2.832 . 0 0 "[ . 1 . 2]" 1 280 1 18 CYS HB2 1 23 GLU H . . 5.180 5.169 4.924 5.202 0.022 10 0 "[ . 1 . 2]" 1 281 1 23 GLU H 1 24 CYS H . . 4.520 4.375 4.234 4.468 . 0 0 "[ . 1 . 2]" 1 282 1 24 CYS H 1 24 CYS HB2 . . 3.310 2.411 2.171 2.845 . 0 0 "[ . 1 . 2]" 1 283 1 24 CYS H 1 24 CYS HB3 . . 3.310 2.762 2.391 3.081 . 0 0 "[ . 1 . 2]" 1 284 1 24 CYS H 1 35 VAL MG2 . . 4.800 4.510 4.076 4.812 0.012 4 0 "[ . 1 . 2]" 1 285 1 15 LYS QB 1 24 CYS H . . 4.510 4.097 3.350 4.517 0.007 13 0 "[ . 1 . 2]" 1 286 1 26 LYS H 1 26 LYS HB2 . . 3.800 2.971 2.274 3.808 0.008 8 0 "[ . 1 . 2]" 1 287 1 25 TYR QE 1 26 LYS H . . 5.500 3.892 3.604 4.774 . 0 0 "[ . 1 . 2]" 1 288 1 6 ARG H 1 7 LYS H . . 5.500 4.628 4.595 4.646 . 0 0 "[ . 1 . 2]" 1 289 1 27 ARG QB 1 28 ARG H . . 5.500 2.629 1.994 3.798 . 0 0 "[ . 1 . 2]" 1 290 1 28 ARG H 1 29 HIS H . . 5.230 2.684 1.935 3.041 . 0 0 "[ . 1 . 2]" 1 291 1 28 ARG HB2 1 29 HIS H . . 4.420 2.483 1.946 3.644 . 0 0 "[ . 1 . 2]" 1 292 1 28 ARG HB3 1 29 HIS H . . 4.420 2.818 1.946 4.065 . 0 0 "[ . 1 . 2]" 1 293 1 5 ILE MG 1 6 ARG H . . 2.870 2.473 2.103 2.835 . 0 0 "[ . 1 . 2]" 1 294 1 9 LEU H 1 9 LEU HG . . 5.500 4.549 4.424 4.648 . 0 0 "[ . 1 . 2]" 1 295 1 9 LEU H 1 9 LEU HB2 . . 3.800 2.996 2.770 3.133 . 0 0 "[ . 1 . 2]" 1 296 1 10 SER H 1 11 CYS HA . . 4.530 4.412 4.316 4.473 . 0 0 "[ . 1 . 2]" 1 297 1 9 LEU HB2 1 10 SER H . . 3.590 3.493 3.267 3.588 . 0 0 "[ . 1 . 2]" 1 298 1 9 LEU HB3 1 10 SER H . . 3.590 2.019 1.935 2.101 . 0 0 "[ . 1 . 2]" 1 299 1 9 LEU HG 1 10 SER H . . 4.810 3.650 2.879 4.784 . 0 0 "[ . 1 . 2]" 1 300 1 9 LEU H 1 10 SER H . . 4.330 2.442 2.322 2.615 . 0 0 "[ . 1 . 2]" 1 301 1 10 SER H 1 31 PHE QE . . 5.500 5.106 4.320 5.585 0.085 9 0 "[ . 1 . 2]" 1 302 1 16 ASN H 1 17 ASP H . . 4.530 2.421 1.946 2.605 . 0 0 "[ . 1 . 2]" 1 303 1 15 LYS QB 1 16 ASN H . . 4.260 3.373 2.234 3.685 . 0 0 "[ . 1 . 2]" 1 304 1 33 VAL MG2 1 34 CYS H . . 4.030 3.091 2.881 3.893 . 0 0 "[ . 1 . 2]" 1 305 1 11 CYS HA 1 34 CYS H . . 4.390 4.106 3.729 4.444 0.054 10 0 "[ . 1 . 2]" 1 306 1 9 LEU H 1 34 CYS H . . 4.290 3.125 2.447 3.690 . 0 0 "[ . 1 . 2]" 1 307 1 22 LEU HB3 1 35 VAL H . . 4.520 3.285 3.090 3.593 . 0 0 "[ . 1 . 2]" 1 308 1 34 CYS H 1 35 VAL H . . 4.850 4.598 4.487 4.630 . 0 0 "[ . 1 . 2]" 1 309 1 37 ILE MG 1 39 GLY H . . 4.910 4.651 4.572 4.692 . 0 0 "[ . 1 . 2]" 1 310 1 22 LEU HA 1 37 ILE H . . 4.180 3.008 2.733 3.266 . 0 0 "[ . 1 . 2]" 1 311 1 37 ILE H 1 37 ILE HG12 . . 3.950 3.813 3.702 3.949 . 0 0 "[ . 1 . 2]" 1 312 1 37 ILE H 1 37 ILE HG13 . . 3.730 2.359 2.219 2.544 . 0 0 "[ . 1 . 2]" 1 313 1 37 ILE H 1 40 PHE HB3 . . 4.810 4.133 3.958 4.362 . 0 0 "[ . 1 . 2]" 1 314 1 40 PHE QE 1 41 CYS H . . 4.080 3.789 3.713 3.900 . 0 0 "[ . 1 . 2]" 1 315 1 41 CYS HB3 1 42 LEU H . . 3.600 3.533 3.500 3.567 . 0 0 "[ . 1 . 2]" 1 316 1 42 LEU HA 1 43 VAL H . . 2.860 2.475 2.387 2.608 . 0 0 "[ . 1 . 2]" 1 317 1 43 VAL H 1 55 CYS HA . . 5.110 4.938 4.760 5.088 . 0 0 "[ . 1 . 2]" 1 318 1 43 VAL H 1 43 VAL HB . . 3.860 3.726 3.702 3.773 . 0 0 "[ . 1 . 2]" 1 319 1 43 VAL H 1 46 LYS HB2 . . 3.930 2.100 1.963 2.423 . 0 0 "[ . 1 . 2]" 1 320 1 43 VAL H 1 46 LYS HD2 . . 4.480 4.372 4.175 4.487 0.007 3 0 "[ . 1 . 2]" 1 321 1 43 VAL H 1 44 LYS H . . 4.580 4.422 4.402 4.441 . 0 0 "[ . 1 . 2]" 1 322 1 43 VAL MG2 1 44 LYS H . . 3.190 3.122 3.099 3.142 . 0 0 "[ . 1 . 2]" 1 323 1 44 LYS H 1 45 TRP HA . . 5.500 5.098 5.084 5.123 . 0 0 "[ . 1 . 2]" 1 324 1 44 LYS H 1 73 ALA HA . . 5.500 5.114 5.081 5.172 . 0 0 "[ . 1 . 2]" 1 325 1 44 LYS H 1 44 LYS HG3 . . 4.130 3.809 3.759 3.887 . 0 0 "[ . 1 . 2]" 1 326 1 46 LYS HG3 1 47 GLN H . . 5.180 5.048 4.955 5.096 . 0 0 "[ . 1 . 2]" 1 327 1 46 LYS HB3 1 47 GLN H . . 3.010 2.809 2.481 2.931 . 0 0 "[ . 1 . 2]" 1 328 1 46 LYS HD2 1 47 GLN H . . 3.690 3.687 3.669 3.701 0.011 15 0 "[ . 1 . 2]" 1 329 1 47 GLN H 1 71 VAL MG1 . . 3.890 3.748 3.598 3.894 0.004 7 0 "[ . 1 . 2]" 1 330 1 48 CYS H 1 69 SER QB . . 5.490 5.267 5.177 5.347 . 0 0 "[ . 1 . 2]" 1 331 1 48 CYS H 1 72 CYS H . . 5.500 4.235 4.052 4.327 . 0 0 "[ . 1 . 2]" 1 332 1 49 ASP H 1 50 GLY H . . 4.580 4.468 4.458 4.472 . 0 0 "[ . 1 . 2]" 1 333 1 49 ASP H 1 71 VAL HA . . 4.420 4.434 4.422 4.445 0.025 2 0 "[ . 1 . 2]" 1 334 1 49 ASP H 1 70 SER HB2 . . 4.680 3.787 2.824 4.661 . 0 0 "[ . 1 . 2]" 1 335 1 49 ASP H 1 49 ASP HB3 . . 3.660 2.705 2.464 3.046 . 0 0 "[ . 1 . 2]" 1 336 1 49 ASP H 1 49 ASP HB2 . . 3.660 2.489 2.134 3.591 . 0 0 "[ . 1 . 2]" 1 337 1 47 GLN HB3 1 49 ASP H . . 4.320 3.113 3.022 3.182 . 0 0 "[ . 1 . 2]" 1 338 1 49 ASP HA 1 50 GLY H . . 2.950 2.143 2.142 2.145 . 0 0 "[ . 1 . 2]" 1 339 1 49 ASP HB2 1 50 GLY H . . 4.730 4.316 3.521 4.529 . 0 0 "[ . 1 . 2]" 1 340 1 42 LEU MD1 1 51 ARG H . . 4.640 4.091 3.988 4.181 . 0 0 "[ . 1 . 2]" 1 341 1 51 ARG H 1 52 GLU QB . . 4.530 4.401 4.359 4.499 . 0 0 "[ . 1 . 2]" 1 342 1 51 ARG H 1 51 ARG HB3 . . 3.960 3.707 3.670 3.752 . 0 0 "[ . 1 . 2]" 1 343 1 48 CYS HB2 1 51 ARG H . . 4.950 4.865 4.821 4.922 . 0 0 "[ . 1 . 2]" 1 344 1 51 ARG H 1 52 GLU HA . . 5.500 4.460 4.440 4.506 . 0 0 "[ . 1 . 2]" 1 345 1 42 LEU MD1 1 52 GLU H . . 4.980 4.934 4.817 5.011 0.031 7 0 "[ . 1 . 2]" 1 346 1 51 ARG HB3 1 52 GLU H . . 4.780 4.443 4.407 4.493 . 0 0 "[ . 1 . 2]" 1 347 1 53 ARG H 1 54 ASP H . . 3.160 2.342 1.958 2.434 . 0 0 "[ . 1 . 2]" 1 348 1 54 ASP H 1 54 ASP HB2 . . 3.210 2.518 2.132 2.619 . 0 0 "[ . 1 . 2]" 1 349 1 54 ASP H 1 54 ASP HB3 . . 3.210 3.098 2.996 3.195 . 0 0 "[ . 1 . 2]" 1 350 1 51 ARG HB3 1 54 ASP H . . 3.620 3.268 3.135 3.473 . 0 0 "[ . 1 . 2]" 1 351 1 53 ARG HG3 1 54 ASP H . . 5.130 4.678 3.758 5.097 . 0 0 "[ . 1 . 2]" 1 352 1 52 GLU HA 1 54 ASP H . . 4.510 3.976 3.893 4.472 . 0 0 "[ . 1 . 2]" 1 353 1 52 GLU H 1 54 ASP H . . 4.770 4.191 3.876 4.268 . 0 0 "[ . 1 . 2]" 1 354 1 53 ARG H 1 55 CYS H . . 4.450 4.111 3.751 4.181 . 0 0 "[ . 1 . 2]" 1 355 1 41 CYS HA 1 56 CYS H . . 4.880 4.635 4.575 4.729 . 0 0 "[ . 1 . 2]" 1 356 1 42 LEU HG 1 56 CYS H . . 4.410 4.379 4.297 4.430 0.020 15 0 "[ . 1 . 2]" 1 357 1 43 VAL H 1 56 CYS H . . 5.120 5.024 4.969 5.071 . 0 0 "[ . 1 . 2]" 1 358 1 59 LEU H 1 59 LEU HB2 . . 3.310 2.230 2.119 2.283 . 0 0 "[ . 1 . 2]" 1 359 1 56 CYS H 1 59 LEU HB2 . . 4.060 3.090 3.011 3.160 . 0 0 "[ . 1 . 2]" 1 360 1 56 CYS H 1 59 LEU HB3 . . 4.170 3.966 3.539 4.143 . 0 0 "[ . 1 . 2]" 1 361 1 43 VAL MG1 1 56 CYS H . . 5.190 5.155 5.038 5.193 0.003 14 0 "[ . 1 . 2]" 1 362 1 58 GLY H 1 59 LEU H . . 3.050 2.619 2.517 2.701 . 0 0 "[ . 1 . 2]" 1 363 1 75 ILE H 1 75 ILE MD . . 3.710 3.707 3.700 3.715 0.005 16 0 "[ . 1 . 2]" 1 364 1 57 ALA MB 1 59 LEU H . . 5.500 4.381 4.273 4.486 . 0 0 "[ . 1 . 2]" 1 365 1 59 LEU HB3 1 60 GLU H . . 3.090 2.311 2.157 2.717 . 0 0 "[ . 1 . 2]" 1 366 1 59 LEU HG 1 60 GLU H . . 5.500 4.076 2.392 4.669 . 0 0 "[ . 1 . 2]" 1 367 1 52 GLU QG 1 61 CYS H . . 5.500 5.404 5.193 5.551 0.051 19 0 "[ . 1 . 2]" 1 368 1 61 CYS H 1 72 CYS HA . . 5.070 4.969 4.926 5.047 . 0 0 "[ . 1 . 2]" 1 369 1 61 CYS HA 1 62 TRP H . . 3.100 2.214 2.203 2.234 . 0 0 "[ . 1 . 2]" 1 370 1 60 GLU HG2 1 61 CYS H . . 4.480 4.301 4.063 4.467 . 0 0 "[ . 1 . 2]" 1 371 1 60 GLU HG3 1 61 CYS H . . 3.860 3.630 3.310 3.835 . 0 0 "[ . 1 . 2]" 1 372 1 60 GLU HG3 1 62 TRP H . . 4.920 4.252 3.923 4.404 . 0 0 "[ . 1 . 2]" 1 373 1 62 TRP H 1 63 LYS H . . 4.690 4.545 4.504 4.566 . 0 0 "[ . 1 . 2]" 1 374 1 61 CYS HB2 1 62 TRP H . . 4.810 4.610 4.588 4.627 . 0 0 "[ . 1 . 2]" 1 375 1 62 TRP HE1 1 73 ALA MB . . 4.710 4.643 4.595 4.715 0.005 17 0 "[ . 1 . 2]" 1 376 1 64 ARG HA 1 65 SER H . . 2.700 2.164 2.145 2.187 . 0 0 "[ . 1 . 2]" 1 377 1 64 ARG QD 1 65 SER H . . 5.390 5.316 5.240 5.396 0.006 1 0 "[ . 1 . 2]" 1 378 1 64 ARG HG3 1 65 SER H . . 4.430 4.172 3.970 4.273 . 0 0 "[ . 1 . 2]" 1 379 1 66 GLY H 1 67 ASN HA . . 5.030 4.842 4.835 4.862 . 0 0 "[ . 1 . 2]" 1 380 1 47 GLN HG3 1 69 SER H . . 5.340 5.330 5.226 5.353 0.013 15 0 "[ . 1 . 2]" 1 381 1 68 LYS QD 1 69 SER H . . 4.260 3.503 2.559 4.174 . 0 0 "[ . 1 . 2]" 1 382 1 27 ARG QG 1 31 PHE H . . 5.370 4.657 2.860 5.375 0.005 12 0 "[ . 1 . 2]" 1 383 1 37 ILE MD 1 40 PHE H . . 5.440 5.453 5.382 5.474 0.034 20 0 "[ . 1 . 2]" 1 384 1 42 LEU MD1 1 49 ASP H . . 5.500 5.397 5.193 5.506 0.006 19 0 "[ . 1 . 2]" 1 385 1 49 ASP H 1 71 VAL MG1 . . 5.500 5.413 5.387 5.450 . 0 0 "[ . 1 . 2]" 1 386 1 62 TRP HB2 1 71 VAL H . . 5.020 5.008 4.895 5.039 0.019 19 0 "[ . 1 . 2]" 1 387 1 44 LYS HA 1 72 CYS H . . 3.980 3.994 3.981 4.006 0.026 6 0 "[ . 1 . 2]" 1 388 1 62 TRP HE3 1 72 CYS H . . 5.040 5.025 4.971 5.063 0.023 17 0 "[ . 1 . 2]" 1 389 1 68 LYS H 1 68 LYS QD . . 5.500 4.959 4.141 5.453 . 0 0 "[ . 1 . 2]" 1 390 1 63 LYS HA 1 64 ARG H . . 2.780 2.196 2.188 2.203 . 0 0 "[ . 1 . 2]" 1 391 1 62 TRP HA 1 64 ARG H . . 5.420 5.423 5.402 5.432 0.012 4 0 "[ . 1 . 2]" 1 392 1 64 ARG H 1 64 ARG QD . . 4.160 4.150 4.067 4.176 0.016 9 0 "[ . 1 . 2]" 1 393 1 62 TRP HE1 1 63 LYS H . . 4.680 4.149 4.076 4.306 . 0 0 "[ . 1 . 2]" 1 394 1 63 LYS QG 1 64 ARG H . . 3.840 3.703 3.483 3.843 0.003 18 0 "[ . 1 . 2]" 1 395 1 53 ARG H 1 53 ARG HD2 . . 5.500 4.879 3.096 5.365 . 0 0 "[ . 1 . 2]" 1 396 1 53 ARG H 1 61 CYS HB2 . . 5.500 5.503 5.446 5.517 0.017 15 0 "[ . 1 . 2]" 1 397 1 53 ARG H 1 53 ARG HD3 . . 5.500 4.809 2.063 5.392 . 0 0 "[ . 1 . 2]" 1 398 1 53 ARG HB3 1 54 ASP H . . 4.640 4.496 4.195 4.656 0.016 19 0 "[ . 1 . 2]" 1 399 1 53 ARG HG2 1 54 ASP H . . 5.130 4.858 3.607 5.166 0.036 3 0 "[ . 1 . 2]" 1 400 1 52 GLU QB 1 54 ASP H . . 5.190 5.035 4.985 5.188 . 0 0 "[ . 1 . 2]" 1 401 1 46 LYS H 1 59 LEU MD2 . . 5.500 5.091 4.242 5.463 . 0 0 "[ . 1 . 2]" 1 402 1 46 LYS H 1 46 LYS HB2 . . 3.080 2.435 2.388 2.539 . 0 0 "[ . 1 . 2]" 1 403 1 46 LYS H 1 46 LYS HG3 . . 3.910 3.918 3.843 3.937 0.027 4 0 "[ . 1 . 2]" 1 404 1 46 LYS H 1 46 LYS HG2 . . 3.520 3.470 3.337 3.506 . 0 0 "[ . 1 . 2]" 1 405 1 46 LYS H 1 46 LYS HD2 . . 5.500 5.225 5.194 5.267 . 0 0 "[ . 1 . 2]" 1 406 1 45 TRP H 1 72 CYS HB3 . . 5.110 5.115 5.082 5.133 0.023 5 0 "[ . 1 . 2]" 1 407 1 45 TRP H 1 46 LYS HB2 . . 4.170 3.808 3.764 3.964 . 0 0 "[ . 1 . 2]" 1 408 1 5 ILE MD 1 11 CYS H . . 5.500 5.381 4.991 5.509 0.009 7 0 "[ . 1 . 2]" 1 409 1 21 GLY H 1 40 PHE QE . . 3.810 3.581 3.258 3.790 . 0 0 "[ . 1 . 2]" 1 410 1 43 VAL HA 1 43 VAL HB . . 2.910 2.493 2.491 2.496 . 0 0 "[ . 1 . 2]" 1 411 1 38 PRO HA 1 39 GLY HA2 . . 4.850 4.406 4.390 4.412 . 0 0 "[ . 1 . 2]" 1 412 1 38 PRO HA 1 39 GLY HA3 . . 4.850 4.426 4.395 4.441 . 0 0 "[ . 1 . 2]" 1 413 1 40 PHE HA 1 40 PHE QD . . 3.310 2.734 2.665 2.830 . 0 0 "[ . 1 . 2]" 1 414 1 37 ILE MD 1 40 PHE HB3 . . 4.520 4.501 4.396 4.541 0.021 18 0 "[ . 1 . 2]" 1 415 1 37 ILE HB 1 40 PHE HB3 . . 3.620 3.219 3.177 3.281 . 0 0 "[ . 1 . 2]" 1 416 1 40 PHE H 1 40 PHE HB3 . . 3.340 2.309 2.292 2.327 . 0 0 "[ . 1 . 2]" 1 417 1 40 PHE H 1 40 PHE HB2 . . 3.350 2.774 2.754 2.795 . 0 0 "[ . 1 . 2]" 1 418 1 40 PHE QD 1 41 CYS HA . . 5.500 3.935 3.758 4.018 . 0 0 "[ . 1 . 2]" 1 419 1 42 LEU HB3 1 55 CYS HA . . 3.720 3.601 3.593 3.643 . 0 0 "[ . 1 . 2]" 1 420 1 42 LEU HB2 1 55 CYS HA . . 3.570 1.998 1.980 2.031 . 0 0 "[ . 1 . 2]" 1 421 1 42 LEU HA 1 46 LYS HB3 . . 4.430 4.339 4.030 4.471 0.041 15 0 "[ . 1 . 2]" 1 422 1 42 LEU HB2 1 46 LYS HB3 . . 4.600 4.532 4.395 4.618 0.018 7 0 "[ . 1 . 2]" 1 423 1 42 LEU HA 1 43 VAL HA . . 4.580 4.405 4.382 4.453 . 0 0 "[ . 1 . 2]" 1 424 1 43 VAL HA 1 44 LYS H . . 2.990 2.635 2.626 2.650 . 0 0 "[ . 1 . 2]" 1 425 1 43 VAL HA 1 44 LYS HA . . 4.510 4.333 4.328 4.337 . 0 0 "[ . 1 . 2]" 1 426 1 43 VAL HA 1 43 VAL MG1 . . 2.720 2.346 2.295 2.364 . 0 0 "[ . 1 . 2]" 1 427 1 43 VAL HA 1 59 LEU MD1 . . 4.430 2.391 1.948 3.519 . 0 0 "[ . 1 . 2]" 1 428 1 43 VAL HB 1 59 LEU MD1 . . 4.840 4.047 3.785 4.634 . 0 0 "[ . 1 . 2]" 1 429 1 43 VAL HB 1 44 LYS QB . . 4.330 4.292 4.206 4.340 0.010 1 0 "[ . 1 . 2]" 1 430 1 44 LYS HA 1 44 LYS HG2 . . 3.650 3.572 3.564 3.580 . 0 0 "[ . 1 . 2]" 1 431 1 43 VAL MG2 1 44 LYS HA . . 4.300 4.290 4.258 4.315 0.015 5 0 "[ . 1 . 2]" 1 432 1 44 LYS HA 1 72 CYS HB2 . . 3.810 3.700 3.475 3.820 0.010 14 0 "[ . 1 . 2]" 1 433 1 44 LYS HA 1 73 ALA HA . . 3.520 2.746 2.699 2.810 . 0 0 "[ . 1 . 2]" 1 434 1 44 LYS QB 1 73 ALA HA . . 4.220 2.258 2.180 2.302 . 0 0 "[ . 1 . 2]" 1 435 1 44 LYS H 1 44 LYS QB . . 2.890 2.559 2.489 2.613 . 0 0 "[ . 1 . 2]" 1 436 1 44 LYS HA 1 45 TRP H . . 3.350 3.236 3.221 3.260 . 0 0 "[ . 1 . 2]" 1 437 1 45 TRP HA 1 45 TRP HE3 . . 3.190 2.534 2.366 3.085 . 0 0 "[ . 1 . 2]" 1 438 1 46 LYS HB2 1 47 GLN H . . 4.240 4.047 3.765 4.135 . 0 0 "[ . 1 . 2]" 1 439 1 46 LYS H 1 46 LYS HB3 . . 3.670 3.631 3.598 3.714 0.044 7 0 "[ . 1 . 2]" 1 440 1 44 LYS HA 1 45 TRP HA . . 4.640 4.486 4.482 4.495 . 0 0 "[ . 1 . 2]" 1 441 1 45 TRP HA 1 71 VAL MG1 . . 3.550 3.498 3.406 3.566 0.016 17 0 "[ . 1 . 2]" 1 442 1 43 VAL MG2 1 46 LYS HB2 . . 3.340 2.267 2.097 2.754 . 0 0 "[ . 1 . 2]" 1 443 1 42 LEU MD1 1 46 LYS HB3 . . 4.020 3.657 3.587 3.778 . 0 0 "[ . 1 . 2]" 1 444 1 43 VAL MG2 1 46 LYS HB3 . . 4.290 3.576 3.478 3.819 . 0 0 "[ . 1 . 2]" 1 445 1 42 LEU HB3 1 46 LYS HB3 . . 4.310 2.875 2.697 2.971 . 0 0 "[ . 1 . 2]" 1 446 1 37 ILE MG 1 38 PRO HD2 . . 3.200 1.925 1.905 1.965 . 0 0 "[ . 1 . 2]" 1 447 1 40 PHE HZ 1 42 LEU HG . . 4.410 4.413 4.339 4.432 0.022 16 0 "[ . 1 . 2]" 1 448 1 43 VAL MG2 1 46 LYS HE3 . . 4.080 3.824 3.605 4.220 0.140 15 0 "[ . 1 . 2]" 1 449 1 43 VAL HA 1 43 VAL MG2 . . 3.310 3.187 3.184 3.193 . 0 0 "[ . 1 . 2]" 1 450 1 42 LEU HA 1 43 VAL MG2 . . 3.900 3.876 3.824 3.898 . 0 0 "[ . 1 . 2]" 1 451 1 42 LEU HA 1 43 VAL MG1 . . 3.590 3.506 3.470 3.563 . 0 0 "[ . 1 . 2]" 1 452 1 43 VAL MG1 1 44 LYS H . . 3.470 3.440 3.425 3.453 . 0 0 "[ . 1 . 2]" 1 453 1 43 VAL H 1 43 VAL MG1 . . 2.980 2.829 2.753 2.969 . 0 0 "[ . 1 . 2]" 1 454 1 64 ARG HA 1 64 ARG HG2 . . 3.860 2.736 2.690 2.843 . 0 0 "[ . 1 . 2]" 1 455 1 59 LEU H 1 59 LEU HG . . 4.590 3.290 2.807 4.572 . 0 0 "[ . 1 . 2]" 1 456 1 44 LYS QE 1 44 LYS HG2 . . 3.480 2.457 2.017 2.624 . 0 0 "[ . 1 . 2]" 1 457 1 44 LYS QE 1 44 LYS HG3 . . 3.390 2.505 2.232 3.202 . 0 0 "[ . 1 . 2]" 1 458 1 7 LYS QD 1 22 LEU MD2 . . 5.500 2.191 1.839 3.459 . 0 0 "[ . 1 . 2]" 1 459 1 44 LYS H 1 44 LYS HD3 . . 4.460 2.418 2.072 3.451 . 0 0 "[ . 1 . 2]" 1 460 1 43 VAL MG2 1 46 LYS HG2 . . 3.080 2.327 2.157 2.400 . 0 0 "[ . 1 . 2]" 1 461 1 42 LEU HB3 1 46 LYS HG2 . . 4.840 4.815 4.491 4.856 0.016 19 0 "[ . 1 . 2]" 1 462 1 43 VAL MG2 1 46 LYS HG3 . . 3.100 1.892 1.863 1.916 . 0 0 "[ . 1 . 2]" 1 463 1 42 LEU MD2 1 46 LYS HD2 . . 3.580 3.120 2.835 3.368 . 0 0 "[ . 1 . 2]" 1 464 1 46 LYS HA 1 46 LYS HD2 . . 3.710 3.489 3.437 3.606 . 0 0 "[ . 1 . 2]" 1 465 1 43 VAL MG2 1 46 LYS HD3 . . 4.230 3.999 3.808 4.057 . 0 0 "[ . 1 . 2]" 1 466 1 46 LYS HA 1 46 LYS HD3 . . 3.530 3.019 2.951 3.073 . 0 0 "[ . 1 . 2]" 1 467 1 46 LYS HD3 1 47 GLN H . . 4.170 3.809 3.582 3.924 . 0 0 "[ . 1 . 2]" 1 468 1 43 VAL MG2 1 46 LYS HE2 . . 4.080 3.247 2.980 3.452 . 0 0 "[ . 1 . 2]" 1 469 1 46 LYS HA 1 47 GLN HB2 . . 4.530 4.365 4.334 4.392 . 0 0 "[ . 1 . 2]" 1 470 1 47 GLN HB3 1 71 VAL MG1 . . 4.970 4.786 4.728 4.877 . 0 0 "[ . 1 . 2]" 1 471 1 47 GLN HA 1 47 GLN HG2 . . 3.840 2.786 2.660 2.885 . 0 0 "[ . 1 . 2]" 1 472 1 47 GLN HA 1 47 GLN HG3 . . 3.740 2.281 2.213 2.376 . 0 0 "[ . 1 . 2]" 1 473 1 47 GLN HG2 1 49 ASP H . . 3.670 3.573 3.453 3.673 0.003 19 0 "[ . 1 . 2]" 1 474 1 47 GLN HG3 1 49 ASP H . . 4.900 4.812 4.676 4.901 0.001 16 0 "[ . 1 . 2]" 1 475 1 47 GLN HE21 1 47 GLN HG3 . . 3.670 2.333 2.165 2.523 . 0 0 "[ . 1 . 2]" 1 476 1 48 CYS HB2 1 61 CYS HB2 . . 3.920 3.207 3.074 3.269 . 0 0 "[ . 1 . 2]" 1 477 1 48 CYS HB3 1 52 GLU HA . . 4.650 4.583 4.463 4.659 0.009 19 0 "[ . 1 . 2]" 1 478 1 49 ASP HA 1 50 GLY HA3 . . 4.570 4.389 4.386 4.390 . 0 0 "[ . 1 . 2]" 1 479 1 51 ARG HB2 1 54 ASP H . . 4.450 4.460 4.354 4.503 0.053 1 0 "[ . 1 . 2]" 1 480 1 42 LEU MD1 1 51 ARG HB2 . . 3.870 2.022 1.943 2.106 . 0 0 "[ . 1 . 2]" 1 481 1 53 ARG HA 1 53 ARG HG2 . . 3.600 2.842 2.441 3.701 0.101 12 0 "[ . 1 . 2]" 1 482 1 51 ARG HB3 1 51 ARG HD3 . . 3.700 3.199 2.312 3.658 . 0 0 "[ . 1 . 2]" 1 483 1 51 ARG HA 1 51 ARG HG2 . . 4.020 3.321 2.832 3.606 . 0 0 "[ . 1 . 2]" 1 484 1 42 LEU MD1 1 51 ARG HG3 . . 3.860 3.112 2.599 3.797 . 0 0 "[ . 1 . 2]" 1 485 1 52 GLU HA 1 52 GLU QG . . 3.490 3.341 3.334 3.436 . 0 0 "[ . 1 . 2]" 1 486 1 52 GLU HA 1 61 CYS HB2 . . 3.500 2.492 2.382 2.541 . 0 0 "[ . 1 . 2]" 1 487 1 48 CYS HB2 1 52 GLU HA . . 3.750 2.843 2.722 2.932 . 0 0 "[ . 1 . 2]" 1 488 1 53 ARG HB2 1 54 ASP H . . 4.640 4.031 3.043 4.553 . 0 0 "[ . 1 . 2]" 1 489 1 53 ARG H 1 53 ARG HB2 . . 3.820 2.946 2.685 3.825 0.005 12 0 "[ . 1 . 2]" 1 490 1 15 LYS H 1 15 LYS QD . . 4.580 3.328 1.949 4.152 . 0 0 "[ . 1 . 2]" 1 491 1 53 ARG H 1 53 ARG HB3 . . 3.820 3.696 2.855 3.817 . 0 0 "[ . 1 . 2]" 1 492 1 53 ARG HA 1 53 ARG HD2 . . 5.500 4.669 3.917 5.436 . 0 0 "[ . 1 . 2]" 1 493 1 53 ARG HA 1 53 ARG HD3 . . 5.500 4.473 3.866 5.471 . 0 0 "[ . 1 . 2]" 1 494 1 51 ARG HB3 1 54 ASP HB2 . . 4.190 2.232 2.151 2.301 . 0 0 "[ . 1 . 2]" 1 495 1 42 LEU MD1 1 54 ASP HB2 . . 3.500 3.425 3.275 3.503 0.003 14 0 "[ . 1 . 2]" 1 496 1 42 LEU HB2 1 55 CYS HB2 . . 4.480 4.103 4.034 4.311 . 0 0 "[ . 1 . 2]" 1 497 1 55 CYS HB2 1 59 LEU HB2 . . 3.490 2.922 2.666 3.527 0.037 14 0 "[ . 1 . 2]" 1 498 1 55 CYS HB2 1 56 CYS H . . 3.910 3.479 3.437 3.654 . 0 0 "[ . 1 . 2]" 1 499 1 55 CYS HB2 1 59 LEU HG . . 5.050 4.891 4.404 5.106 0.056 3 0 "[ . 1 . 2]" 1 500 1 55 CYS HB2 1 59 LEU HB3 . . 3.530 2.864 2.344 3.154 . 0 0 "[ . 1 . 2]" 1 501 1 55 CYS H 1 55 CYS HB3 . . 3.710 3.588 3.587 3.590 . 0 0 "[ . 1 . 2]" 1 502 1 42 LEU HB2 1 55 CYS HB3 . . 4.250 2.895 2.811 3.199 . 0 0 "[ . 1 . 2]" 1 503 1 41 CYS HB2 1 56 CYS HA . . 3.180 2.134 2.082 2.227 . 0 0 "[ . 1 . 2]" 1 504 1 41 CYS HB3 1 56 CYS HA . . 3.180 2.946 2.771 3.146 . 0 0 "[ . 1 . 2]" 1 505 1 56 CYS HA 1 57 ALA HA . . 4.360 4.318 4.314 4.325 . 0 0 "[ . 1 . 2]" 1 506 1 42 LEU H 1 56 CYS HA . . 4.200 3.583 3.538 3.678 . 0 0 "[ . 1 . 2]" 1 507 1 56 CYS HA 1 57 ALA MB . . 4.340 4.205 4.148 4.249 . 0 0 "[ . 1 . 2]" 1 508 1 57 ALA HA 1 59 LEU H . . 3.690 3.469 3.378 3.570 . 0 0 "[ . 1 . 2]" 1 509 1 57 ALA HA 1 58 GLY H . . 2.790 2.158 2.145 2.178 . 0 0 "[ . 1 . 2]" 1 510 1 57 ALA MB 1 58 GLY H . . 3.410 3.128 2.992 3.275 . 0 0 "[ . 1 . 2]" 1 511 1 57 ALA MB 1 58 GLY HA2 . . 4.430 4.320 4.284 4.387 . 0 0 "[ . 1 . 2]" 1 512 1 56 CYS HB3 1 57 ALA MB . . 3.800 3.698 3.649 3.792 . 0 0 "[ . 1 . 2]" 1 513 1 58 GLY HA2 1 75 ILE MD . . 4.620 4.341 4.120 4.435 . 0 0 "[ . 1 . 2]" 1 514 1 58 GLY HA3 1 75 ILE MD . . 4.620 4.503 4.359 4.583 . 0 0 "[ . 1 . 2]" 1 515 1 59 LEU HB3 1 59 LEU MD2 . . 3.510 2.339 2.300 2.414 . 0 0 "[ . 1 . 2]" 1 516 1 18 CYS HB3 1 22 LEU HB3 . . 4.140 2.968 2.774 3.047 . 0 0 "[ . 1 . 2]" 1 517 1 55 CYS HB3 1 59 LEU HB2 . . 3.130 2.426 2.146 2.848 . 0 0 "[ . 1 . 2]" 1 518 1 59 LEU H 1 59 LEU HB3 . . 4.020 3.447 3.146 3.556 . 0 0 "[ . 1 . 2]" 1 519 1 59 LEU HB2 1 60 GLU H . . 4.160 3.676 3.574 3.938 . 0 0 "[ . 1 . 2]" 1 520 1 43 VAL HB 1 59 LEU MD2 . . 4.840 4.495 3.936 4.742 . 0 0 "[ . 1 . 2]" 1 521 1 43 VAL HA 1 59 LEU MD2 . . 4.430 3.290 2.128 3.747 . 0 0 "[ . 1 . 2]" 1 522 1 44 LYS H 1 59 LEU MD1 . . 3.670 3.070 2.947 3.178 . 0 0 "[ . 1 . 2]" 1 523 1 59 LEU H 1 59 LEU MD1 . . 4.060 3.711 3.280 3.910 . 0 0 "[ . 1 . 2]" 1 524 1 19 CYS H 1 22 LEU MD1 . . 3.950 3.821 3.637 3.950 0.000 18 0 "[ . 1 . 2]" 1 525 1 8 TRP H 1 22 LEU MD1 . . 4.450 3.758 3.437 4.004 . 0 0 "[ . 1 . 2]" 1 526 1 45 TRP H 1 59 LEU MD1 . . 5.100 4.553 4.349 4.936 . 0 0 "[ . 1 . 2]" 1 527 1 44 LYS H 1 59 LEU MD2 . . 3.670 3.156 3.088 3.227 . 0 0 "[ . 1 . 2]" 1 528 1 59 LEU H 1 59 LEU MD2 . . 4.060 3.823 3.660 4.056 . 0 0 "[ . 1 . 2]" 1 529 1 59 LEU MD2 1 73 ALA H . . 4.580 3.283 2.910 4.194 . 0 0 "[ . 1 . 2]" 1 530 1 60 GLU H 1 60 GLU HG3 . . 4.240 3.962 3.767 4.114 . 0 0 "[ . 1 . 2]" 1 531 1 60 GLU HA 1 60 GLU HG3 . . 4.110 3.863 3.747 3.908 . 0 0 "[ . 1 . 2]" 1 532 1 52 GLU HA 1 61 CYS HB3 . . 4.240 4.201 4.083 4.288 0.048 3 0 "[ . 1 . 2]" 1 533 1 61 CYS H 1 61 CYS HB3 . . 3.290 2.787 2.722 2.841 . 0 0 "[ . 1 . 2]" 1 534 1 61 CYS HB3 1 62 TRP H . . 4.710 4.329 4.305 4.355 . 0 0 "[ . 1 . 2]" 1 535 1 52 GLU QG 1 61 CYS HB2 . . 4.100 4.074 4.000 4.118 0.018 20 0 "[ . 1 . 2]" 1 536 1 52 GLU QB 1 61 CYS HB2 . . 3.670 2.034 1.937 2.113 . 0 0 "[ . 1 . 2]" 1 537 1 62 TRP HB3 1 62 TRP HE3 . . 3.400 2.826 2.813 2.846 . 0 0 "[ . 1 . 2]" 1 538 1 62 TRP HB2 1 62 TRP HE3 . . 3.590 3.070 3.050 3.084 . 0 0 "[ . 1 . 2]" 1 539 1 62 TRP HB2 1 62 TRP HD1 . . 3.890 3.539 3.530 3.552 . 0 0 "[ . 1 . 2]" 1 540 1 62 TRP HB2 1 71 VAL MG2 . . 3.980 3.816 3.698 3.911 . 0 0 "[ . 1 . 2]" 1 541 1 60 GLU HG3 1 62 TRP HB2 . . 4.390 4.146 3.850 4.278 . 0 0 "[ . 1 . 2]" 1 542 1 3 GLU HA 1 4 CYS HB3 . . 4.460 4.365 4.205 4.465 0.005 6 0 "[ . 1 . 2]" 1 543 1 63 LYS H 1 63 LYS HB3 . . 3.520 2.840 2.649 2.939 . 0 0 "[ . 1 . 2]" 1 544 1 63 LYS HB3 1 64 ARG H . . 4.720 4.269 4.215 4.361 . 0 0 "[ . 1 . 2]" 1 545 1 63 LYS H 1 63 LYS HB2 . . 3.520 2.539 2.451 2.683 . 0 0 "[ . 1 . 2]" 1 546 1 63 LYS HB2 1 64 ARG H . . 4.720 4.609 4.552 4.632 . 0 0 "[ . 1 . 2]" 1 547 1 63 LYS H 1 63 LYS QG . . 4.190 4.050 3.997 4.157 . 0 0 "[ . 1 . 2]" 1 548 1 63 LYS HA 1 63 LYS QG . . 3.440 2.285 2.128 2.830 . 0 0 "[ . 1 . 2]" 1 549 1 63 LYS QE 1 63 LYS QG . . 3.270 2.327 1.972 2.630 . 0 0 "[ . 1 . 2]" 1 550 1 63 LYS HA 1 70 SER HA . . 5.500 3.486 3.151 3.633 . 0 0 "[ . 1 . 2]" 1 551 1 63 LYS H 1 63 LYS QE . . 4.820 4.663 3.784 4.852 0.032 2 0 "[ . 1 . 2]" 1 552 1 26 LYS HA 1 26 LYS QD . . 4.650 3.951 2.015 4.454 . 0 0 "[ . 1 . 2]" 1 553 1 64 ARG HA 1 64 ARG QD . . 4.000 3.911 3.822 3.978 . 0 0 "[ . 1 . 2]" 1 554 1 63 LYS HA 1 64 ARG HA . . 4.520 4.399 4.395 4.404 . 0 0 "[ . 1 . 2]" 1 555 1 64 ARG H 1 64 ARG HB2 . . 3.830 2.404 2.369 2.427 . 0 0 "[ . 1 . 2]" 1 556 1 62 TRP HE1 1 64 ARG HA . . 5.500 5.475 5.349 5.507 0.007 19 0 "[ . 1 . 2]" 1 557 1 62 TRP HZ3 1 64 ARG QD . . 3.580 3.141 3.061 3.295 . 0 0 "[ . 1 . 2]" 1 558 1 65 SER HA 1 66 GLY H . . 2.970 2.189 2.165 2.220 . 0 0 "[ . 1 . 2]" 1 559 1 65 SER HA 1 66 GLY HA2 . . 4.500 4.463 4.435 4.495 . 0 0 "[ . 1 . 2]" 1 560 1 67 ASN HB2 1 68 LYS H . . 4.200 3.087 2.438 4.009 . 0 0 "[ . 1 . 2]" 1 561 1 67 ASN H 1 67 ASN HB2 . . 3.740 2.645 2.374 3.754 0.014 14 0 "[ . 1 . 2]" 1 562 1 67 ASN HB3 1 68 LYS H . . 4.200 2.934 2.372 3.773 . 0 0 "[ . 1 . 2]" 1 563 1 67 ASN H 1 67 ASN HB3 . . 3.740 3.214 2.631 3.705 . 0 0 "[ . 1 . 2]" 1 564 1 68 LYS H 1 68 LYS HB2 . . 4.020 3.019 2.824 3.998 . 0 0 "[ . 1 . 2]" 1 565 1 68 LYS HB3 1 69 SER H . . 3.920 2.227 1.948 3.354 . 0 0 "[ . 1 . 2]" 1 566 1 68 LYS HA 1 69 SER QB . . 4.710 4.624 4.514 4.696 . 0 0 "[ . 1 . 2]" 1 567 1 68 LYS H 1 68 LYS HG2 . . 4.580 4.172 3.016 4.585 0.005 14 0 "[ . 1 . 2]" 1 568 1 68 LYS HA 1 68 LYS HG2 . . 3.880 2.455 2.132 3.836 . 0 0 "[ . 1 . 2]" 1 569 1 68 LYS QE 1 68 LYS HG2 . . 3.720 2.788 2.145 3.496 . 0 0 "[ . 1 . 2]" 1 570 1 68 LYS QE 1 68 LYS HG3 . . 3.720 2.729 2.088 3.496 . 0 0 "[ . 1 . 2]" 1 571 1 68 LYS HA 1 68 LYS HG3 . . 3.880 3.212 2.951 3.736 . 0 0 "[ . 1 . 2]" 1 572 1 68 LYS H 1 68 LYS HG3 . . 4.580 4.142 2.762 4.607 0.027 19 0 "[ . 1 . 2]" 1 573 1 69 SER QB 1 71 VAL MG1 . . 3.950 3.760 3.698 3.899 . 0 0 "[ . 1 . 2]" 1 574 1 47 GLN HB3 1 69 SER QB . . 4.950 4.924 4.818 4.959 0.009 19 0 "[ . 1 . 2]" 1 575 1 47 GLN HG2 1 69 SER QB . . 3.780 2.875 2.757 2.936 . 0 0 "[ . 1 . 2]" 1 576 1 47 GLN HG3 1 69 SER QB . . 3.490 3.157 3.056 3.243 . 0 0 "[ . 1 . 2]" 1 577 1 47 GLN HE21 1 69 SER QB . . 4.040 2.135 1.909 2.439 . 0 0 "[ . 1 . 2]" 1 578 1 70 SER H 1 70 SER HB2 . . 3.560 3.256 2.230 3.582 0.022 12 0 "[ . 1 . 2]" 1 579 1 45 TRP HA 1 71 VAL HB . . 3.520 3.496 3.471 3.520 0.000 16 0 "[ . 1 . 2]" 1 580 1 47 GLN HA 1 71 VAL HA . . 3.310 2.018 1.991 2.094 . 0 0 "[ . 1 . 2]" 1 581 1 45 TRP H 1 71 VAL HB . . 5.260 5.155 5.114 5.180 . 0 0 "[ . 1 . 2]" 1 582 1 64 ARG QD 1 71 VAL MG2 . . 3.440 2.524 2.333 2.841 . 0 0 "[ . 1 . 2]" 1 583 1 64 ARG HA 1 71 VAL MG2 . . 5.500 5.316 5.198 5.462 . 0 0 "[ . 1 . 2]" 1 584 1 45 TRP HA 1 71 VAL MG2 . . 3.990 3.996 3.963 4.007 0.017 20 0 "[ . 1 . 2]" 1 585 1 62 TRP HE3 1 71 VAL MG2 . . 2.910 2.623 2.449 2.743 . 0 0 "[ . 1 . 2]" 1 586 1 62 TRP HZ3 1 71 VAL MG2 . . 3.950 3.869 3.790 3.943 . 0 0 "[ . 1 . 2]" 1 587 1 71 VAL HA 1 71 VAL MG2 . . 3.620 3.184 3.177 3.198 . 0 0 "[ . 1 . 2]" 1 588 1 46 LYS H 1 71 VAL MG2 . . 5.500 5.014 4.790 5.101 . 0 0 "[ . 1 . 2]" 1 589 1 71 VAL H 1 71 VAL MG2 . . 3.050 1.952 1.910 2.120 . 0 0 "[ . 1 . 2]" 1 590 1 47 GLN HG2 1 71 VAL MG1 . . 4.140 3.944 3.841 4.059 . 0 0 "[ . 1 . 2]" 1 591 1 47 GLN HG3 1 71 VAL MG1 . . 3.520 2.850 2.751 2.974 . 0 0 "[ . 1 . 2]" 1 592 1 63 LYS HA 1 71 VAL MG2 . . 5.030 5.049 5.012 5.075 0.045 19 0 "[ . 1 . 2]" 1 593 1 46 LYS HA 1 71 VAL MG1 . . 4.040 3.844 3.637 3.936 . 0 0 "[ . 1 . 2]" 1 594 1 47 GLN HA 1 71 VAL MG1 . . 3.180 2.495 2.406 2.637 . 0 0 "[ . 1 . 2]" 1 595 1 70 SER HA 1 71 VAL MG1 . . 4.160 4.031 3.911 4.112 . 0 0 "[ . 1 . 2]" 1 596 1 45 TRP HE3 1 71 VAL MG1 . . 4.280 4.059 3.924 4.277 . 0 0 "[ . 1 . 2]" 1 597 1 59 LEU HB3 1 72 CYS HB3 . . 3.680 3.117 2.882 3.666 . 0 0 "[ . 1 . 2]" 1 598 1 59 LEU MD1 1 72 CYS HB3 . . 4.170 2.843 2.503 3.530 . 0 0 "[ . 1 . 2]" 1 599 1 59 LEU MD2 1 72 CYS HB3 . . 4.170 2.587 1.968 2.942 . 0 0 "[ . 1 . 2]" 1 600 1 34 CYS HA 1 35 VAL MG2 . . 3.670 3.540 3.325 3.677 0.007 7 0 "[ . 1 . 2]" 1 601 1 62 TRP HB3 1 73 ALA MB . . 3.270 3.062 2.994 3.193 . 0 0 "[ . 1 . 2]" 1 602 1 62 TRP HB2 1 73 ALA MB . . 3.240 1.957 1.944 1.969 . 0 0 "[ . 1 . 2]" 1 603 1 72 CYS HB3 1 73 ALA MB . . 4.710 4.653 4.643 4.665 . 0 0 "[ . 1 . 2]" 1 604 1 60 GLU HG3 1 73 ALA MB . . 4.140 4.087 3.976 4.141 0.001 10 0 "[ . 1 . 2]" 1 605 1 72 CYS HA 1 73 ALA MB . . 3.760 3.759 3.755 3.768 0.008 17 0 "[ . 1 . 2]" 1 606 1 62 TRP HA 1 73 ALA MB . . 3.990 4.001 3.985 4.037 0.047 4 0 "[ . 1 . 2]" 1 607 1 62 TRP HZ3 1 73 ALA MB . . 3.300 3.272 3.093 3.312 0.012 6 0 "[ . 1 . 2]" 1 608 1 62 TRP HE3 1 73 ALA HA . . 4.530 3.938 3.866 3.979 . 0 0 "[ . 1 . 2]" 1 609 1 62 TRP H 1 73 ALA MB . . 3.950 3.960 3.932 3.978 0.028 19 0 "[ . 1 . 2]" 1 610 1 60 GLU H 1 73 ALA MB . . 4.310 4.177 4.144 4.198 . 0 0 "[ . 1 . 2]" 1 611 1 62 TRP HE3 1 73 ALA MB . . 3.090 2.203 2.152 2.233 . 0 0 "[ . 1 . 2]" 1 612 1 44 LYS HG2 1 73 ALA HA . . 5.110 5.024 5.010 5.040 . 0 0 "[ . 1 . 2]" 1 613 1 59 LEU HA 1 74 PRO HA . . 3.520 2.161 2.147 2.185 . 0 0 "[ . 1 . 2]" 1 614 1 74 PRO HA 1 75 ILE HG12 . . 4.410 4.358 4.299 4.387 . 0 0 "[ . 1 . 2]" 1 615 1 59 LEU HB3 1 74 PRO HA . . 5.160 4.589 4.442 4.956 . 0 0 "[ . 1 . 2]" 1 616 1 74 PRO HA 1 75 ILE HG13 . . 5.500 5.005 4.942 5.046 . 0 0 "[ . 1 . 2]" 1 617 1 74 PRO HG2 1 75 ILE H . . 4.550 4.311 4.262 4.415 . 0 0 "[ . 1 . 2]" 1 618 1 73 ALA HA 1 74 PRO HD3 . . 3.070 2.312 2.299 2.321 . 0 0 "[ . 1 . 2]" 1 619 1 73 ALA MB 1 74 PRO HD3 . . 3.400 3.204 3.168 3.246 . 0 0 "[ . 1 . 2]" 1 620 1 75 ILE HA 1 76 THR MG . . 4.720 3.640 3.376 4.138 . 0 0 "[ . 1 . 2]" 1 621 1 74 PRO HB2 1 75 ILE HA . . 4.930 4.650 4.622 4.708 . 0 0 "[ . 1 . 2]" 1 622 1 74 PRO HB3 1 75 ILE HG12 . . 4.910 4.627 4.589 4.684 . 0 0 "[ . 1 . 2]" 1 623 1 74 PRO HB3 1 75 ILE HG13 . . 5.030 5.022 5.005 5.031 0.001 15 0 "[ . 1 . 2]" 1 624 1 75 ILE HA 1 75 ILE MD . . 4.290 4.159 4.152 4.167 . 0 0 "[ . 1 . 2]" 1 625 1 75 ILE HA 1 75 ILE MG . . 3.110 2.174 2.134 2.215 . 0 0 "[ . 1 . 2]" 1 626 1 75 ILE MG 1 76 THR HA . . 5.500 5.384 5.269 5.478 . 0 0 "[ . 1 . 2]" 1 627 1 74 PRO HA 1 75 ILE MG . . 4.400 4.054 4.018 4.080 . 0 0 "[ . 1 . 2]" 1 628 1 76 THR HA 1 76 THR MG . . 3.140 2.483 2.067 3.203 0.063 17 0 "[ . 1 . 2]" 1 629 1 76 THR H 1 76 THR HB . . 4.030 3.745 2.906 3.907 . 0 0 "[ . 1 . 2]" 1 630 1 25 TYR HB3 1 35 VAL MG1 . . 3.630 2.850 1.942 3.632 0.002 9 0 "[ . 1 . 2]" 1 631 1 35 VAL MG1 1 36 PRO HD3 . . 3.770 3.654 3.457 3.779 0.009 12 0 "[ . 1 . 2]" 1 632 1 8 TRP HZ3 1 35 VAL MG1 . . 3.480 3.472 3.400 3.488 0.008 10 0 "[ . 1 . 2]" 1 633 1 8 TRP HE3 1 35 VAL MG1 . . 4.150 3.978 3.690 4.155 0.005 4 0 "[ . 1 . 2]" 1 634 1 8 TRP HZ2 1 35 VAL MG1 . . 4.500 3.002 2.579 3.409 . 0 0 "[ . 1 . 2]" 1 635 1 35 VAL H 1 35 VAL MG1 . . 3.710 3.156 2.952 3.340 . 0 0 "[ . 1 . 2]" 1 636 1 8 TRP H 1 35 VAL MG1 . . 4.600 4.349 4.062 4.582 . 0 0 "[ . 1 . 2]" 1 637 1 25 TYR H 1 35 VAL MG1 . . 4.860 3.767 3.007 4.356 . 0 0 "[ . 1 . 2]" 1 638 1 60 GLU HG2 1 73 ALA MB . . 4.370 3.269 3.154 3.403 . 0 0 "[ . 1 . 2]" 1 639 1 3 GLU HA 1 3 GLU QG . . 3.340 2.727 2.293 3.350 0.010 10 0 "[ . 1 . 2]" 1 640 1 4 CYS HB2 1 19 CYS HA . . 3.250 2.332 2.109 2.436 . 0 0 "[ . 1 . 2]" 1 641 1 4 CYS H 1 4 CYS HB2 . . 3.870 3.733 3.633 3.837 . 0 0 "[ . 1 . 2]" 1 642 1 5 ILE HB 1 18 CYS HA . . 3.350 2.341 2.154 2.526 . 0 0 "[ . 1 . 2]" 1 643 1 5 ILE HA 1 6 ARG H . . 2.870 2.164 2.139 2.223 . 0 0 "[ . 1 . 2]" 1 644 1 5 ILE H 1 5 ILE MG . . 3.950 3.767 3.763 3.773 . 0 0 "[ . 1 . 2]" 1 645 1 5 ILE H 1 19 CYS HA . . 4.080 4.035 3.805 4.086 0.006 10 0 "[ . 1 . 2]" 1 646 1 20 GLU HB3 1 21 GLY H . . 4.620 4.344 4.266 4.404 . 0 0 "[ . 1 . 2]" 1 647 1 20 GLU HB3 1 40 PHE HZ . . 5.500 4.596 3.961 5.076 . 0 0 "[ . 1 . 2]" 1 648 1 20 GLU HB2 1 40 PHE HZ . . 5.500 5.118 4.815 5.468 . 0 0 "[ . 1 . 2]" 1 649 1 20 GLU HA 1 20 GLU HG2 . . 3.710 3.316 2.462 3.738 0.028 19 0 "[ . 1 . 2]" 1 650 1 20 GLU HA 1 20 GLU HG3 . . 3.710 2.594 2.352 3.553 . 0 0 "[ . 1 . 2]" 1 651 1 37 ILE HB 1 40 PHE QD . . 4.390 3.576 3.487 3.692 . 0 0 "[ . 1 . 2]" 1 652 1 9 LEU H 1 9 LEU HB3 . . 3.800 2.700 2.572 2.990 . 0 0 "[ . 1 . 2]" 1 653 1 37 ILE HA 1 38 PRO HD2 . . 3.350 2.080 2.021 2.104 . 0 0 "[ . 1 . 2]" 1 654 1 37 ILE HA 1 38 PRO HG3 . . 4.520 4.328 4.316 4.334 . 0 0 "[ . 1 . 2]" 1 655 1 37 ILE HA 1 38 PRO HG2 . . 4.370 4.257 4.210 4.276 . 0 0 "[ . 1 . 2]" 1 656 1 22 LEU HA 1 36 PRO HA . . 3.590 2.892 2.731 3.093 . 0 0 "[ . 1 . 2]" 1 657 1 36 PRO HA 1 37 ILE H . . 3.250 2.157 2.150 2.188 . 0 0 "[ . 1 . 2]" 1 658 1 22 LEU MD2 1 36 PRO HA . . 3.070 1.988 1.898 2.079 . 0 0 "[ . 1 . 2]" 1 659 1 33 VAL HA 1 34 CYS H . . 3.260 2.469 2.268 2.548 . 0 0 "[ . 1 . 2]" 1 660 1 11 CYS H 1 33 VAL HA . . 3.470 1.960 1.840 2.263 . 0 0 "[ . 1 . 2]" 1 661 1 5 ILE MD 1 17 ASP HB3 . . 4.110 3.830 2.785 4.112 0.002 16 0 "[ . 1 . 2]" 1 662 1 37 ILE MG 1 40 PHE QD . . 4.160 3.747 3.483 3.902 . 0 0 "[ . 1 . 2]" 1 663 1 37 ILE HA 1 37 ILE MG . . 2.980 2.402 2.356 2.417 . 0 0 "[ . 1 . 2]" 1 664 1 42 LEU MD1 1 48 CYS HA . . 3.600 2.849 2.641 2.970 . 0 0 "[ . 1 . 2]" 1 665 1 9 LEU HA 1 9 LEU MD2 . . 3.900 3.577 2.302 3.902 0.002 17 0 "[ . 1 . 2]" 1 666 1 42 LEU MD1 1 43 VAL H . . 4.560 4.344 4.119 4.493 . 0 0 "[ . 1 . 2]" 1 667 1 42 LEU MD1 1 48 CYS HB2 . . 4.340 4.243 4.051 4.359 0.019 7 0 "[ . 1 . 2]" 1 668 1 42 LEU HA 1 42 LEU MD1 . . 4.110 3.935 3.921 3.963 . 0 0 "[ . 1 . 2]" 1 669 1 42 LEU MD1 1 51 ARG HA . . 4.520 3.928 3.811 3.977 . 0 0 "[ . 1 . 2]" 1 670 1 44 LYS HG3 1 73 ALA HA . . 4.520 4.488 4.388 4.544 0.024 20 0 "[ . 1 . 2]" 1 671 1 44 LYS HG3 1 45 TRP H . . 4.860 4.507 4.340 4.603 . 0 0 "[ . 1 . 2]" 1 672 1 12 VAL HA 1 12 VAL MG1 . . 3.240 2.293 2.176 2.390 . 0 0 "[ . 1 . 2]" 1 673 1 26 LYS QE 1 26 LYS QG . . 3.460 2.293 2.025 2.691 . 0 0 "[ . 1 . 2]" 1 674 1 37 ILE HA 1 37 ILE HG13 . . 3.910 2.663 2.592 2.702 . 0 0 "[ . 1 . 2]" 1 675 1 26 LYS H 1 26 LYS QD . . 4.670 3.952 2.596 4.658 . 0 0 "[ . 1 . 2]" 1 676 1 7 LYS HB2 1 7 LYS QE . . 3.830 2.765 2.028 3.171 . 0 0 "[ . 1 . 2]" 1 677 1 21 GLY HA2 1 40 PHE QD . . 3.850 3.006 2.667 3.240 . 0 0 "[ . 1 . 2]" 1 678 1 10 SER H 1 33 VAL MG2 . . 4.410 4.367 3.828 4.615 0.205 9 0 "[ . 1 . 2]" 1 679 1 8 TRP HE3 1 33 VAL MG2 . . 4.290 2.185 1.913 3.837 . 0 0 "[ . 1 . 2]" 1 680 1 8 TRP H 1 33 VAL MG2 . . 5.500 3.519 2.909 5.358 . 0 0 "[ . 1 . 2]" 1 681 1 8 TRP HA 1 33 VAL HB . . 4.230 3.094 2.624 3.797 . 0 0 "[ . 1 . 2]" 1 682 1 22 LEU MD1 1 34 CYS HB2 . . 3.700 2.855 2.528 3.198 . 0 0 "[ . 1 . 2]" 1 683 1 34 CYS H 1 34 CYS HB2 . . 4.120 2.532 2.311 2.662 . 0 0 "[ . 1 . 2]" 1 684 1 6 ARG HB2 1 6 ARG QD . . 3.330 2.091 2.038 2.208 . 0 0 "[ . 1 . 2]" 1 685 1 6 ARG HA 1 6 ARG QD . . 3.700 3.420 3.306 3.650 . 0 0 "[ . 1 . 2]" 1 686 1 6 ARG HA 1 7 LYS HB2 . . 4.920 4.463 4.358 4.699 . 0 0 "[ . 1 . 2]" 1 687 1 6 ARG HA 1 6 ARG HG2 . . 3.540 3.491 3.382 3.546 0.006 2 0 "[ . 1 . 2]" 1 688 1 36 PRO HB3 1 37 ILE H . . 4.260 4.025 3.844 4.144 . 0 0 "[ . 1 . 2]" 1 689 1 16 ASN HB2 1 17 ASP H . . 4.370 3.680 3.038 4.222 . 0 0 "[ . 1 . 2]" 1 690 1 10 SER H 1 10 SER HB2 . . 4.110 3.587 3.082 4.047 . 0 0 "[ . 1 . 2]" 1 691 1 37 ILE MD 1 40 PHE QD . . 3.550 3.258 3.054 3.481 . 0 0 "[ . 1 . 2]" 1 692 1 37 ILE H 1 37 ILE MD . . 3.550 3.178 3.030 3.349 . 0 0 "[ . 1 . 2]" 1 693 1 22 LEU HA 1 37 ILE HG13 . . 4.660 2.841 2.682 3.087 . 0 0 "[ . 1 . 2]" 1 694 1 22 LEU HA 1 37 ILE MD . . 3.820 2.892 2.668 3.153 . 0 0 "[ . 1 . 2]" 1 695 1 23 GLU HA 1 37 ILE MD . . 4.210 3.663 3.187 4.025 . 0 0 "[ . 1 . 2]" 1 696 1 37 ILE HA 1 37 ILE MD . . 3.950 3.872 3.857 3.880 . 0 0 "[ . 1 . 2]" 1 697 1 21 GLY HA3 1 37 ILE MD . . 3.880 3.682 3.220 3.876 . 0 0 "[ . 1 . 2]" 1 698 1 37 ILE MD 1 38 PRO HD2 . . 5.140 4.775 4.719 4.894 . 0 0 "[ . 1 . 2]" 1 699 1 37 ILE MD 1 40 PHE HB2 . . 4.080 3.234 3.134 3.344 . 0 0 "[ . 1 . 2]" 1 700 1 37 ILE HB 1 37 ILE MD . . 3.140 2.159 2.054 2.289 . 0 0 "[ . 1 . 2]" 1 701 1 37 ILE HB 1 40 PHE HA . . 4.060 4.091 4.068 4.113 0.053 14 0 "[ . 1 . 2]" 1 702 1 28 ARG H 1 28 ARG QD . . 4.940 4.048 2.066 4.741 . 0 0 "[ . 1 . 2]" 1 703 1 28 ARG HA 1 28 ARG QD . . 3.930 3.236 1.995 3.914 . 0 0 "[ . 1 . 2]" 1 704 1 44 LYS HG2 1 45 TRP HA . . 4.430 4.088 3.983 4.255 . 0 0 "[ . 1 . 2]" 1 705 1 44 LYS H 1 44 LYS HG2 . . 3.970 2.476 2.306 2.585 . 0 0 "[ . 1 . 2]" 1 706 1 12 VAL HA 1 12 VAL MG2 . . 3.240 2.730 2.304 3.202 . 0 0 "[ . 1 . 2]" 1 707 1 20 GLU HG2 1 40 PHE HZ . . 3.820 2.555 2.036 3.821 0.001 11 0 "[ . 1 . 2]" 1 708 1 16 ASN HB3 1 17 ASP H . . 4.370 3.642 2.828 4.324 . 0 0 "[ . 1 . 2]" 1 709 1 16 ASN H 1 16 ASN HB3 . . 4.210 3.053 2.506 3.612 . 0 0 "[ . 1 . 2]" 1 710 1 16 ASN H 1 16 ASN HB2 . . 4.210 2.632 2.224 3.616 . 0 0 "[ . 1 . 2]" 1 711 1 22 LEU HA 1 22 LEU HG . . 4.070 3.168 3.128 3.217 . 0 0 "[ . 1 . 2]" 1 712 1 23 GLU HB3 1 37 ILE HG13 . . 4.660 3.759 2.684 4.580 . 0 0 "[ . 1 . 2]" 1 713 1 23 GLU HB2 1 37 ILE HG13 . . 4.660 3.339 2.254 4.502 . 0 0 "[ . 1 . 2]" 1 714 1 35 VAL MG1 1 36 PRO HD2 . . 3.450 2.887 2.666 3.049 . 0 0 "[ . 1 . 2]" 1 715 1 35 VAL MG2 1 36 PRO HD2 . . 3.880 3.653 3.595 3.761 . 0 0 "[ . 1 . 2]" 1 716 1 7 LYS QD 1 36 PRO HD2 . . 4.110 3.708 3.422 4.017 . 0 0 "[ . 1 . 2]" 1 717 1 35 VAL HA 1 36 PRO HD2 . . 3.230 2.398 2.305 2.437 . 0 0 "[ . 1 . 2]" 1 718 1 22 LEU HB2 1 22 LEU MD2 . . 3.560 3.187 3.179 3.192 . 0 0 "[ . 1 . 2]" 1 719 1 22 LEU HB2 1 23 GLU H . . 4.230 3.768 3.621 4.008 . 0 0 "[ . 1 . 2]" 1 720 1 18 CYS HB2 1 22 LEU HB2 . . 3.660 3.576 3.414 3.673 0.013 18 0 "[ . 1 . 2]" 1 721 1 22 LEU HB2 1 22 LEU MD1 . . 3.480 2.333 2.308 2.355 . 0 0 "[ . 1 . 2]" 1 722 1 37 ILE MG 1 40 PHE HB3 . . 3.780 3.808 3.777 3.824 0.044 14 0 "[ . 1 . 2]" 1 723 1 35 VAL HB 1 36 PRO HD2 . . 3.600 2.001 1.966 2.180 . 0 0 "[ . 1 . 2]" 1 724 1 35 VAL HB 1 36 PRO HD3 . . 3.690 3.451 3.421 3.607 . 0 0 "[ . 1 . 2]" 1 725 1 35 VAL HA 1 35 VAL MG1 . . 3.220 2.236 2.096 2.371 . 0 0 "[ . 1 . 2]" 1 726 1 35 VAL HA 1 35 VAL MG2 . . 3.400 3.191 3.181 3.199 . 0 0 "[ . 1 . 2]" 1 727 1 22 LEU MD2 1 35 VAL HA . . 4.190 3.290 3.110 3.390 . 0 0 "[ . 1 . 2]" 1 728 1 35 VAL MG2 1 36 PRO HD3 . . 4.710 4.548 4.497 4.617 . 0 0 "[ . 1 . 2]" 1 729 1 53 ARG H 1 53 ARG HG3 . . 3.840 2.807 1.949 3.822 . 0 0 "[ . 1 . 2]" 1 730 1 53 ARG HA 1 53 ARG HG3 . . 3.600 3.458 2.743 3.713 0.113 12 0 "[ . 1 . 2]" 1 731 1 5 ILE HA 1 5 ILE HG12 . . 4.150 2.736 2.612 2.938 . 0 0 "[ . 1 . 2]" 1 732 1 34 CYS HA 1 35 VAL MG1 . . 4.040 3.819 3.582 4.043 0.003 9 0 "[ . 1 . 2]" 1 733 1 25 TYR HB3 1 26 LYS H . . 4.270 3.622 3.025 4.024 . 0 0 "[ . 1 . 2]" 1 734 1 25 TYR H 1 25 TYR HB3 . . 3.800 2.635 2.457 2.851 . 0 0 "[ . 1 . 2]" 1 735 1 25 TYR HB3 1 35 VAL MG2 . . 3.530 3.216 1.885 3.565 0.035 20 0 "[ . 1 . 2]" 1 736 1 25 TYR HB2 1 35 VAL MG1 . . 3.630 2.381 1.899 3.650 0.020 11 0 "[ . 1 . 2]" 1 737 1 25 TYR HB2 1 35 VAL MG2 . . 3.530 2.056 1.877 3.159 . 0 0 "[ . 1 . 2]" 1 738 1 25 TYR HB2 1 26 LYS H . . 4.270 3.869 2.443 4.213 . 0 0 "[ . 1 . 2]" 1 739 1 25 TYR H 1 25 TYR HB2 . . 3.800 2.807 2.518 3.800 . 0 0 "[ . 1 . 2]" 1 740 1 26 LYS HA 1 26 LYS QG . . 3.620 2.722 2.179 3.344 . 0 0 "[ . 1 . 2]" 1 741 1 27 ARG QG 1 30 SER HB3 . . 3.940 3.257 1.970 3.940 0.000 10 0 "[ . 1 . 2]" 1 742 1 27 ARG QG 1 30 SER HB2 . . 3.940 3.297 2.437 3.937 . 0 0 "[ . 1 . 2]" 1 743 1 8 TRP HA 1 33 VAL MG1 . . 4.160 3.441 1.888 3.968 . 0 0 "[ . 1 . 2]" 1 744 1 8 TRP HE3 1 33 VAL MG1 . . 4.290 3.565 2.476 3.840 . 0 0 "[ . 1 . 2]" 1 745 1 33 VAL MG1 1 34 CYS H . . 4.030 3.494 1.977 3.932 . 0 0 "[ . 1 . 2]" 1 746 1 10 SER H 1 33 VAL MG1 . . 4.410 3.413 2.605 3.850 . 0 0 "[ . 1 . 2]" 1 747 1 8 TRP H 1 33 VAL MG1 . . 5.500 4.786 2.699 5.459 . 0 0 "[ . 1 . 2]" 1 748 1 5 ILE MD 1 11 CYS HA . . 3.320 3.181 2.731 3.349 0.029 4 0 "[ . 1 . 2]" 1 749 1 9 LEU H 1 9 LEU MD2 . . 4.610 4.335 3.944 4.558 . 0 0 "[ . 1 . 2]" 1 750 1 6 ARG HB3 1 6 ARG QD . . 3.400 3.234 3.182 3.352 . 0 0 "[ . 1 . 2]" 1 751 1 9 LEU H 1 9 LEU MD1 . . 4.610 4.405 4.235 4.637 0.027 8 0 "[ . 1 . 2]" 1 752 1 42 LEU HA 1 42 LEU MD2 . . 2.990 2.257 2.049 2.445 . 0 0 "[ . 1 . 2]" 1 753 1 5 ILE HA 1 5 ILE MG . . 3.200 2.316 2.248 2.350 . 0 0 "[ . 1 . 2]" 1 754 1 5 ILE MG 1 18 CYS HA . . 3.680 3.583 3.402 3.689 0.009 13 0 "[ . 1 . 2]" 1 755 1 55 CYS HB3 1 59 LEU HB3 . . 3.300 2.293 1.984 2.478 . 0 0 "[ . 1 . 2]" 1 756 1 55 CYS HB3 1 59 LEU HG . . 4.040 3.851 3.357 4.053 0.013 7 0 "[ . 1 . 2]" 1 757 1 34 CYS H 1 34 CYS HB3 . . 4.120 3.593 3.559 3.608 . 0 0 "[ . 1 . 2]" 1 758 1 19 CYS HB3 1 22 LEU HB3 . . 4.480 4.230 4.080 4.368 . 0 0 "[ . 1 . 2]" 1 759 1 19 CYS HA 1 20 GLU HB3 . . 5.200 5.086 4.950 5.211 0.011 19 0 "[ . 1 . 2]" 1 760 1 22 LEU H 1 22 LEU HB3 . . 4.030 3.755 3.703 3.785 . 0 0 "[ . 1 . 2]" 1 761 1 22 LEU HB3 1 23 GLU H . . 4.170 2.542 2.297 2.865 . 0 0 "[ . 1 . 2]" 1 762 1 19 CYS H 1 22 LEU HB3 . . 4.400 4.367 4.149 4.429 0.029 8 0 "[ . 1 . 2]" 1 763 1 25 TYR QE 1 27 ARG HA . . 4.620 3.826 1.995 4.595 . 0 0 "[ . 1 . 2]" 1 764 1 37 ILE MG 1 40 PHE HB2 . . 3.620 2.630 2.422 2.735 . 0 0 "[ . 1 . 2]" 1 765 1 48 CYS HB2 1 51 ARG HB2 . . 4.920 4.927 4.881 4.961 0.041 3 0 "[ . 1 . 2]" 1 766 1 51 ARG HB3 1 51 ARG HD2 . . 3.700 3.147 2.433 3.846 0.146 7 0 "[ . 1 . 2]" 1 767 1 57 ALA HA 1 58 GLY HA2 . . 4.600 4.413 4.385 4.434 . 0 0 "[ . 1 . 2]" 1 768 1 57 ALA HA 1 58 GLY HA3 . . 4.600 4.410 4.395 4.430 . 0 0 "[ . 1 . 2]" 1 769 1 63 LYS H 1 63 LYS QD . . 5.500 4.522 4.154 4.644 . 0 0 "[ . 1 . 2]" 1 770 1 47 GLN HB2 1 71 VAL MG1 . . 4.580 4.510 4.429 4.576 . 0 0 "[ . 1 . 2]" 1 771 1 15 LYS H 1 15 LYS HG2 . . 5.500 2.457 1.951 4.118 . 0 0 "[ . 1 . 2]" 1 772 1 15 LYS H 1 15 LYS HG3 . . 5.500 3.126 1.987 3.836 . 0 0 "[ . 1 . 2]" 1 773 1 28 ARG H 1 28 ARG HB3 . . 3.910 3.432 2.585 3.832 . 0 0 "[ . 1 . 2]" 1 774 1 28 ARG H 1 28 ARG HB2 . . 3.910 2.446 2.152 3.710 . 0 0 "[ . 1 . 2]" 1 775 1 24 CYS HA 1 34 CYS HA . . 3.730 2.736 2.089 3.432 . 0 0 "[ . 1 . 2]" 1 776 1 5 ILE MD 1 17 ASP HB2 . . 4.110 3.538 2.970 4.131 0.021 4 0 "[ . 1 . 2]" 1 777 1 44 LYS QE 1 45 TRP HE1 . . 3.530 2.347 1.989 3.513 . 0 0 "[ . 1 . 2]" 1 778 1 37 ILE H 1 37 ILE MG . . 3.900 3.769 3.762 3.782 . 0 0 "[ . 1 . 2]" 1 779 1 22 LEU HA 1 37 ILE MG . . 5.500 5.335 5.250 5.476 . 0 0 "[ . 1 . 2]" 1 780 1 37 ILE MG 1 40 PHE HA . . 3.790 3.415 3.096 3.548 . 0 0 "[ . 1 . 2]" 1 781 1 37 ILE MG 1 38 PRO HG2 . . 3.520 3.189 3.161 3.226 . 0 0 "[ . 1 . 2]" 1 782 1 37 ILE MG 1 38 PRO HG3 . . 4.200 4.131 4.088 4.209 0.009 15 0 "[ . 1 . 2]" 1 783 1 23 GLU HG2 1 37 ILE HG12 . . 4.050 3.053 2.514 4.060 0.010 18 0 "[ . 1 . 2]" 1 784 1 37 ILE HB 1 40 PHE HB2 . . 3.750 1.971 1.960 1.994 . 0 0 "[ . 1 . 2]" 1 785 1 41 CYS HB3 1 56 CYS H . . 4.710 4.572 4.499 4.718 0.008 7 0 "[ . 1 . 2]" 1 786 1 42 LEU MD2 1 47 GLN H . . 5.500 5.110 4.847 5.372 . 0 0 "[ . 1 . 2]" 1 787 1 44 LYS QB 1 45 TRP H . . 3.990 3.886 3.866 3.899 . 0 0 "[ . 1 . 2]" 1 788 1 44 LYS QB 1 62 TRP HZ3 . . 5.030 5.049 5.031 5.065 0.035 16 0 "[ . 1 . 2]" 1 789 1 46 LYS H 1 46 LYS HD3 . . 5.330 5.275 5.178 5.322 . 0 0 "[ . 1 . 2]" 1 790 1 46 LYS HA 1 46 LYS HG3 . . 4.250 3.616 3.600 3.674 . 0 0 "[ . 1 . 2]" 1 791 1 47 GLN H 1 47 GLN HB3 . . 3.480 3.426 3.380 3.454 . 0 0 "[ . 1 . 2]" 1 792 1 51 ARG HA 1 51 ARG HG3 . . 4.020 3.204 2.350 3.827 . 0 0 "[ . 1 . 2]" 1 793 1 51 ARG HA 1 51 ARG HD3 . . 3.960 2.977 1.993 4.036 0.076 7 0 "[ . 1 . 2]" 1 794 1 42 LEU MD1 1 51 ARG HG2 . . 3.860 3.235 2.583 3.751 . 0 0 "[ . 1 . 2]" 1 795 1 42 LEU MD1 1 54 ASP HB3 . . 3.500 2.470 2.175 2.712 . 0 0 "[ . 1 . 2]" 1 796 1 55 CYS HB3 1 56 CYS H . . 3.870 2.379 2.333 2.537 . 0 0 "[ . 1 . 2]" 1 797 1 57 ALA MB 1 58 GLY HA3 . . 4.430 3.956 3.867 4.034 . 0 0 "[ . 1 . 2]" 1 798 1 58 GLY HA3 1 75 ILE HG12 . . 4.720 3.809 3.668 3.922 . 0 0 "[ . 1 . 2]" 1 799 1 59 LEU HB3 1 59 LEU MD1 . . 3.510 2.528 2.219 3.192 . 0 0 "[ . 1 . 2]" 1 800 1 52 GLU QB 1 61 CYS HB3 . . 3.520 3.107 3.045 3.185 . 0 0 "[ . 1 . 2]" 1 801 1 63 LYS QE 1 64 ARG H . . 5.250 4.643 2.298 5.282 0.032 4 0 "[ . 1 . 2]" 1 802 1 63 LYS QD 1 64 ARG H . . 4.100 3.619 3.314 4.091 . 0 0 "[ . 1 . 2]" 1 803 1 62 TRP HE3 1 71 VAL HB . . 4.580 4.504 4.449 4.584 0.004 4 0 "[ . 1 . 2]" 1 804 1 44 LYS HA 1 72 CYS HB3 . . 4.240 2.846 2.810 2.875 . 0 0 "[ . 1 . 2]" 1 805 1 44 LYS HG3 1 74 PRO HD3 . . 4.060 3.636 3.563 3.714 . 0 0 "[ . 1 . 2]" 1 806 1 44 LYS HG3 1 74 PRO HD2 . . 4.610 4.603 4.541 4.623 0.013 3 0 "[ . 1 . 2]" 1 807 1 74 PRO HA 1 75 ILE HA . . 4.540 4.307 4.305 4.308 . 0 0 "[ . 1 . 2]" 1 808 1 27 ARG HA 1 28 ARG H . . 3.320 2.425 2.139 2.604 . 0 0 "[ . 1 . 2]" 1 809 1 23 GLU HG3 1 37 ILE HG12 . . 4.050 2.996 1.993 4.043 . 0 0 "[ . 1 . 2]" 1 810 1 22 LEU HA 1 22 LEU MD1 . . 3.890 3.810 3.795 3.818 . 0 0 "[ . 1 . 2]" 1 811 1 19 CYS H 1 19 CYS HB2 . . 3.470 3.197 3.140 3.213 . 0 0 "[ . 1 . 2]" 1 812 1 19 CYS HA 1 20 GLU HA . . 4.540 4.346 4.338 4.355 . 0 0 "[ . 1 . 2]" 1 813 1 19 CYS HA 1 22 LEU MD1 . . 4.310 4.186 4.141 4.245 . 0 0 "[ . 1 . 2]" 1 814 1 12 VAL HA 1 32 GLU HG2 . . 5.310 4.825 3.550 5.400 0.090 2 0 "[ . 1 . 2]" 1 815 1 12 VAL HA 1 32 GLU HG3 . . 5.310 4.700 3.422 5.360 0.050 9 0 "[ . 1 . 2]" 1 816 1 18 CYS HB3 1 22 LEU HB2 . . 3.660 2.629 2.412 2.738 . 0 0 "[ . 1 . 2]" 1 817 1 37 ILE MG 1 38 PRO HD3 . . 3.520 3.332 3.304 3.369 . 0 0 "[ . 1 . 2]" 1 818 1 21 GLY HA2 1 37 ILE MD . . 3.880 2.505 1.976 2.812 . 0 0 "[ . 1 . 2]" 1 819 1 4 CYS HB3 1 5 ILE H . . 3.790 3.685 3.619 3.754 . 0 0 "[ . 1 . 2]" 1 820 1 26 LYS H 1 26 LYS QE . . 5.500 4.558 3.338 5.438 . 0 0 "[ . 1 . 2]" 1 821 1 68 LYS QE 1 69 SER H . . 5.500 4.088 2.383 5.283 . 0 0 "[ . 1 . 2]" 1 822 1 44 LYS HA 1 59 LEU HA . . 5.500 5.503 5.436 5.542 0.042 16 0 "[ . 1 . 2]" 1 823 1 6 ARG HA 1 7 LYS HB3 . . 4.920 4.886 4.619 4.956 0.036 10 0 "[ . 1 . 2]" 1 824 1 45 TRP H 1 59 LEU MD2 . . 5.100 4.647 4.253 4.858 . 0 0 "[ . 1 . 2]" 1 825 1 23 GLU H 1 36 PRO HA . . 4.510 4.333 4.069 4.495 . 0 0 "[ . 1 . 2]" 1 826 1 22 LEU MD1 1 35 VAL H . . 4.920 4.391 4.234 4.640 . 0 0 "[ . 1 . 2]" 1 827 1 1 SER HA 1 1 SER QB . . 2.630 2.359 2.189 2.490 . 0 0 "[ . 1 . 2]" 1 828 1 4 CYS HB3 1 19 CYS HA . . 3.350 3.185 2.984 3.332 . 0 0 "[ . 1 . 2]" 1 829 1 5 ILE HB 1 5 ILE MD . . 3.320 2.287 2.209 2.396 . 0 0 "[ . 1 . 2]" 1 830 1 5 ILE HA 1 5 ILE MD . . 3.990 3.877 3.854 3.885 . 0 0 "[ . 1 . 2]" 1 831 1 5 ILE MG 1 6 ARG HB2 . . 3.950 3.732 3.437 3.948 . 0 0 "[ . 1 . 2]" 1 832 1 5 ILE H 1 5 ILE MD . . 3.780 3.276 2.904 3.482 . 0 0 "[ . 1 . 2]" 1 833 1 5 ILE MD 1 19 CYS H . . 5.310 5.073 4.862 5.311 0.001 8 0 "[ . 1 . 2]" 1 834 1 5 ILE MD 1 18 CYS HA . . 3.690 2.162 1.932 2.424 . 0 0 "[ . 1 . 2]" 1 835 1 5 ILE HA 1 6 ARG HB2 . . 4.850 4.535 4.387 4.660 . 0 0 "[ . 1 . 2]" 1 836 1 5 ILE MG 1 9 LEU H . . 4.010 3.849 3.517 4.019 0.009 10 0 "[ . 1 . 2]" 1 837 1 5 ILE MG 1 10 SER H . . 4.320 2.783 2.574 2.999 . 0 0 "[ . 1 . 2]" 1 838 1 6 ARG HA 1 6 ARG HG3 . . 3.540 2.320 2.212 2.400 . 0 0 "[ . 1 . 2]" 1 839 1 5 ILE HA 1 6 ARG QD . . 3.880 3.244 3.001 3.583 . 0 0 "[ . 1 . 2]" 1 840 1 6 ARG H 1 6 ARG HB2 . . 3.150 2.430 2.345 2.469 . 0 0 "[ . 1 . 2]" 1 841 1 6 ARG HB3 1 7 LYS H . . 3.240 2.718 2.330 2.949 . 0 0 "[ . 1 . 2]" 1 842 1 6 ARG HG3 1 7 LYS H . . 4.760 4.098 3.889 4.356 . 0 0 "[ . 1 . 2]" 1 843 1 6 ARG H 1 6 ARG QD . . 3.250 2.001 1.909 2.108 . 0 0 "[ . 1 . 2]" 1 844 1 9 LEU HA 1 9 LEU HG . . 3.720 2.840 2.300 3.284 . 0 0 "[ . 1 . 2]" 1 845 1 9 LEU HA 1 9 LEU MD1 . . 3.900 2.751 2.008 3.818 . 0 0 "[ . 1 . 2]" 1 846 1 10 SER HB2 1 31 PHE QD . . 4.800 4.465 3.823 4.800 . 0 0 "[ . 1 . 2]" 1 847 1 22 LEU MD1 1 34 CYS HA . . 5.080 4.557 3.940 4.848 . 0 0 "[ . 1 . 2]" 1 848 1 10 SER HB3 1 11 CYS H . . 4.620 3.947 3.322 4.255 . 0 0 "[ . 1 . 2]" 1 849 1 10 SER HB2 1 11 CYS H . . 4.620 3.977 3.359 4.584 . 0 0 "[ . 1 . 2]" 1 850 1 12 VAL H 1 12 VAL MG1 . . 3.890 3.065 2.056 3.767 . 0 0 "[ . 1 . 2]" 1 851 1 10 SER HB3 1 31 PHE QD . . 4.800 4.272 3.081 4.803 0.003 8 0 "[ . 1 . 2]" 1 852 1 7 LYS H 1 7 LYS HB2 . . 3.560 2.468 2.305 2.703 . 0 0 "[ . 1 . 2]" 1 853 1 7 LYS HA 1 7 LYS QE . . 4.960 4.409 4.059 4.606 . 0 0 "[ . 1 . 2]" 1 854 1 7 LYS HB3 1 7 LYS QE . . 3.830 2.356 1.982 3.168 . 0 0 "[ . 1 . 2]" 1 855 1 7 LYS H 1 7 LYS HB3 . . 3.560 2.606 2.359 2.762 . 0 0 "[ . 1 . 2]" 1 856 1 7 LYS HB2 1 22 LEU MD1 . . 4.230 2.408 1.938 2.934 . 0 0 "[ . 1 . 2]" 1 857 1 7 LYS HB3 1 22 LEU MD1 . . 4.230 3.759 3.378 4.240 0.010 20 0 "[ . 1 . 2]" 1 858 1 7 LYS HA 1 8 TRP HA . . 4.430 4.403 4.383 4.424 . 0 0 "[ . 1 . 2]" 1 859 1 8 TRP HA 1 33 VAL MG2 . . 4.160 2.235 1.892 3.995 . 0 0 "[ . 1 . 2]" 1 860 1 8 TRP HA 1 8 TRP HE3 . . 3.670 2.558 2.076 2.853 . 0 0 "[ . 1 . 2]" 1 861 1 45 TRP HA 1 45 TRP HD1 . . 4.520 4.439 4.107 4.525 0.005 19 0 "[ . 1 . 2]" 1 862 1 5 ILE MD 1 14 ARG HD3 . . 3.830 3.469 1.958 3.840 0.010 7 0 "[ . 1 . 2]" 1 863 1 5 ILE MD 1 14 ARG HD2 . . 3.830 3.299 2.324 3.835 0.005 2 0 "[ . 1 . 2]" 1 864 1 18 CYS HB2 1 22 LEU HB3 . . 4.140 4.118 3.914 4.170 0.030 13 0 "[ . 1 . 2]" 1 865 1 20 GLU HA 1 21 GLY H . . 2.790 2.147 2.146 2.148 . 0 0 "[ . 1 . 2]" 1 866 1 20 GLU HB2 1 21 GLY H . . 4.620 4.391 4.331 4.454 . 0 0 "[ . 1 . 2]" 1 867 1 20 GLU HA 1 40 PHE HZ . . 5.070 4.527 4.305 4.651 . 0 0 "[ . 1 . 2]" 1 868 1 20 GLU HA 1 42 LEU MD2 . . 5.500 5.470 5.391 5.514 0.014 20 0 "[ . 1 . 2]" 1 869 1 19 CYS HA 1 20 GLU HB2 . . 5.200 4.608 4.509 4.702 . 0 0 "[ . 1 . 2]" 1 870 1 27 ARG HA 1 27 ARG QD . . 3.930 2.886 1.973 3.891 . 0 0 "[ . 1 . 2]" 1 871 1 27 ARG HA 1 27 ARG QG . . 3.510 2.456 2.084 3.437 . 0 0 "[ . 1 . 2]" 1 872 1 28 ARG HA 1 29 HIS HA . . 4.820 4.605 4.545 4.810 . 0 0 "[ . 1 . 2]" 1 873 1 30 SER H 1 30 SER HB2 . . 3.670 2.575 2.225 3.417 . 0 0 "[ . 1 . 2]" 1 874 1 30 SER H 1 30 SER HB3 . . 3.670 3.384 2.251 3.683 0.013 17 0 "[ . 1 . 2]" 1 875 1 5 ILE HA 1 5 ILE HG13 . . 4.150 2.789 2.586 3.016 . 0 0 "[ . 1 . 2]" 1 876 1 5 ILE MG 1 9 LEU HG . . 5.500 3.994 3.132 5.040 . 0 0 "[ . 1 . 2]" 1 877 1 7 LYS HA 1 8 TRP H . . 3.330 2.221 2.181 2.267 . 0 0 "[ . 1 . 2]" 1 878 1 11 CYS HA 1 33 VAL HA . . 4.270 3.842 3.409 4.290 0.020 6 0 "[ . 1 . 2]" 1 879 1 10 SER H 1 33 VAL HA . . 4.660 3.833 3.137 4.350 . 0 0 "[ . 1 . 2]" 1 880 1 23 GLU H 1 34 CYS HA . . 4.240 3.858 3.519 4.243 0.003 18 0 "[ . 1 . 2]" 1 881 1 25 TYR H 1 34 CYS HA . . 4.670 3.593 2.795 4.521 . 0 0 "[ . 1 . 2]" 1 882 1 34 CYS HA 1 35 VAL H . . 3.000 2.225 2.141 2.314 . 0 0 "[ . 1 . 2]" 1 883 1 22 LEU HB3 1 35 VAL MG2 . . 5.500 4.681 4.362 4.917 . 0 0 "[ . 1 . 2]" 1 884 1 26 LYS H 1 35 VAL MG2 . . 5.130 4.958 4.592 5.166 0.036 13 0 "[ . 1 . 2]" 1 885 1 35 VAL H 1 35 VAL MG2 . . 3.280 2.246 2.046 2.352 . 0 0 "[ . 1 . 2]" 1 886 1 12 VAL H 1 12 VAL MG2 . . 3.890 2.114 2.013 2.286 . 0 0 "[ . 1 . 2]" 1 887 1 38 PRO HA 1 40 PHE H . . 4.410 3.408 3.371 3.533 . 0 0 "[ . 1 . 2]" 1 888 1 37 ILE HA 1 37 ILE HG12 . . 3.780 2.836 2.791 2.930 . 0 0 "[ . 1 . 2]" 1 889 1 36 PRO HA 1 37 ILE HG13 . . 4.120 3.835 3.708 3.951 . 0 0 "[ . 1 . 2]" 1 890 1 36 PRO HA 1 37 ILE MD . . 4.560 4.526 4.324 4.584 0.024 10 0 "[ . 1 . 2]" 1 891 1 22 LEU HB3 1 36 PRO HA . . 4.700 4.621 4.436 4.722 0.022 7 0 "[ . 1 . 2]" 1 892 1 35 VAL HA 1 36 PRO HD3 . . 3.010 2.299 2.269 2.314 . 0 0 "[ . 1 . 2]" 1 893 1 62 TRP HD1 1 64 ARG QD . . 4.940 4.773 4.496 4.944 0.004 11 0 "[ . 1 . 2]" 1 894 1 41 CYS HA 1 42 LEU HG . . 3.630 3.277 3.202 3.340 . 0 0 "[ . 1 . 2]" 1 895 1 42 LEU HB3 1 46 LYS HB2 . . 5.500 2.442 2.289 2.488 . 0 0 "[ . 1 . 2]" 1 896 1 42 LEU HB3 1 46 LYS HG3 . . 5.500 3.584 3.125 3.711 . 0 0 "[ . 1 . 2]" 1 897 1 42 LEU HA 1 42 LEU HG . . 3.660 3.287 3.262 3.317 . 0 0 "[ . 1 . 2]" 1 898 1 42 LEU HA 1 46 LYS HG3 . . 3.980 3.564 3.268 3.697 . 0 0 "[ . 1 . 2]" 1 899 1 41 CYS HB2 1 42 LEU HG . . 4.240 4.241 4.175 4.262 0.022 13 0 "[ . 1 . 2]" 1 900 1 42 LEU HB2 1 42 LEU MD1 . . 3.380 2.271 2.211 2.315 . 0 0 "[ . 1 . 2]" 1 901 1 42 LEU MD1 1 51 ARG HB3 . . 3.660 1.964 1.881 2.160 . 0 0 "[ . 1 . 2]" 1 902 1 40 PHE HZ 1 42 LEU MD2 . . 2.710 2.194 2.113 2.336 . 0 0 "[ . 1 . 2]" 1 903 1 42 LEU MD2 1 54 ASP HB3 . . 5.500 3.322 3.029 3.533 . 0 0 "[ . 1 . 2]" 1 904 1 42 LEU MD2 1 54 ASP HB2 . . 5.500 4.629 4.354 4.767 . 0 0 "[ . 1 . 2]" 1 905 1 42 LEU MD1 1 55 CYS HB3 . . 5.500 3.878 3.832 3.959 . 0 0 "[ . 1 . 2]" 1 906 1 42 LEU HB2 1 43 VAL H . . 4.520 3.247 2.987 3.453 . 0 0 "[ . 1 . 2]" 1 907 1 43 VAL HA 1 44 LYS QB . . 4.650 4.426 4.394 4.449 . 0 0 "[ . 1 . 2]" 1 908 1 44 LYS HA 1 44 LYS HD3 . . 5.500 4.376 4.122 4.486 . 0 0 "[ . 1 . 2]" 1 909 1 44 LYS HA 1 44 LYS HD2 . . 5.500 4.697 4.422 5.435 . 0 0 "[ . 1 . 2]" 1 910 1 43 VAL MG1 1 44 LYS QB . . 5.460 5.186 5.120 5.223 . 0 0 "[ . 1 . 2]" 1 911 1 44 LYS H 1 44 LYS QE . . 4.030 3.718 1.920 4.036 0.006 6 0 "[ . 1 . 2]" 1 912 1 44 LYS H 1 44 LYS HD2 . . 4.460 3.575 3.202 4.180 . 0 0 "[ . 1 . 2]" 1 913 1 47 GLN H 1 47 GLN HB2 . . 3.180 2.118 2.092 2.140 . 0 0 "[ . 1 . 2]" 1 914 1 49 ASP HB3 1 50 GLY H . . 4.730 4.238 4.020 4.380 . 0 0 "[ . 1 . 2]" 1 915 1 49 ASP HA 1 50 GLY HA2 . . 4.570 4.380 4.378 4.381 . 0 0 "[ . 1 . 2]" 1 916 1 51 ARG HB3 1 54 ASP HB3 . . 4.190 2.056 1.999 2.153 . 0 0 "[ . 1 . 2]" 1 917 1 51 ARG HA 1 51 ARG HD2 . . 3.960 3.084 2.000 3.790 . 0 0 "[ . 1 . 2]" 1 918 1 51 ARG H 1 52 GLU QG . . 4.910 4.853 4.725 4.920 0.010 20 0 "[ . 1 . 2]" 1 919 1 51 ARG HB2 1 54 ASP HB2 . . 4.220 3.871 3.762 3.962 . 0 0 "[ . 1 . 2]" 1 920 1 51 ARG HB2 1 54 ASP HB3 . . 4.220 3.716 3.535 3.834 . 0 0 "[ . 1 . 2]" 1 921 1 43 VAL HA 1 56 CYS HB2 . . 4.020 3.768 3.662 3.881 . 0 0 "[ . 1 . 2]" 1 922 1 56 CYS HB2 1 59 LEU HB3 . . 4.960 4.893 4.653 4.991 0.031 3 0 "[ . 1 . 2]" 1 923 1 19 CYS HB3 1 22 LEU MD2 . . 4.230 3.972 3.887 4.044 . 0 0 "[ . 1 . 2]" 1 924 1 19 CYS HB2 1 22 LEU MD1 . . 3.370 2.052 1.955 2.136 . 0 0 "[ . 1 . 2]" 1 925 1 58 GLY HA2 1 75 ILE HG12 . . 4.720 4.005 3.814 4.129 . 0 0 "[ . 1 . 2]" 1 926 1 20 GLU H 1 22 LEU MD1 . . 4.070 3.959 3.876 4.030 . 0 0 "[ . 1 . 2]" 1 927 1 22 LEU MD1 1 34 CYS HB3 . . 3.700 2.507 1.917 2.915 . 0 0 "[ . 1 . 2]" 1 928 1 55 CYS HB3 1 59 LEU MD1 . . 4.090 2.582 1.961 4.104 0.014 6 0 "[ . 1 . 2]" 1 929 1 7 LYS HA 1 22 LEU MD1 . . 2.910 2.275 1.985 2.578 . 0 0 "[ . 1 . 2]" 1 930 1 22 LEU MD1 1 36 PRO HB3 . . 5.240 5.213 4.964 5.282 0.042 20 0 "[ . 1 . 2]" 1 931 1 22 LEU HA 1 22 LEU MD2 . . 3.340 2.024 1.939 2.092 . 0 0 "[ . 1 . 2]" 1 932 1 22 LEU MD2 1 23 GLU H . . 3.710 3.188 3.090 3.402 . 0 0 "[ . 1 . 2]" 1 933 1 22 LEU MD2 1 37 ILE H . . 3.770 3.209 3.050 3.410 . 0 0 "[ . 1 . 2]" 1 934 1 22 LEU MD2 1 36 PRO HD2 . . 4.230 4.188 4.085 4.273 0.043 2 0 "[ . 1 . 2]" 1 935 1 7 LYS HA 1 22 LEU MD2 . . 4.050 3.684 3.356 3.995 . 0 0 "[ . 1 . 2]" 1 936 1 7 LYS QE 1 22 LEU MD2 . . 3.840 3.327 1.868 3.847 0.007 15 0 "[ . 1 . 2]" 1 937 1 22 LEU HB3 1 22 LEU MD2 . . 3.450 2.387 2.356 2.450 . 0 0 "[ . 1 . 2]" 1 938 1 22 LEU MD2 1 36 PRO HB2 . . 4.120 4.031 3.848 4.079 . 0 0 "[ . 1 . 2]" 1 939 1 22 LEU MD2 1 36 PRO HB3 . . 3.550 3.028 2.811 3.110 . 0 0 "[ . 1 . 2]" 1 940 1 55 CYS HB3 1 59 LEU MD2 . . 4.090 3.443 1.908 4.011 . 0 0 "[ . 1 . 2]" 1 941 1 60 GLU QB 1 61 CYS H . . 5.500 2.574 2.377 2.694 . 0 0 "[ . 1 . 2]" 1 942 1 65 SER HA 1 66 GLY HA3 . . 4.500 4.407 4.402 4.411 . 0 0 "[ . 1 . 2]" 1 943 1 66 GLY HA3 1 67 ASN H . . 3.530 3.035 2.957 3.098 . 0 0 "[ . 1 . 2]" 1 944 1 47 GLN HG3 1 71 VAL HA . . 4.030 3.832 3.725 3.973 . 0 0 "[ . 1 . 2]" 1 945 1 62 TRP HB3 1 71 VAL MG2 . . 3.550 2.550 2.421 2.602 . 0 0 "[ . 1 . 2]" 1 946 1 71 VAL HA 1 71 VAL MG1 . . 3.030 2.160 2.124 2.222 . 0 0 "[ . 1 . 2]" 1 947 1 70 SER HA 1 71 VAL MG2 . . 3.670 3.607 3.484 3.668 . 0 0 "[ . 1 . 2]" 1 948 1 44 LYS QB 1 72 CYS HB3 . . 4.910 4.410 4.365 4.461 . 0 0 "[ . 1 . 2]" 1 949 1 59 LEU HG 1 72 CYS HB3 . . 5.110 4.249 2.105 5.040 . 0 0 "[ . 1 . 2]" 1 950 1 73 ALA HA 1 74 PRO HG2 . . 4.540 4.538 4.512 4.557 0.017 19 0 "[ . 1 . 2]" 1 951 1 73 ALA HA 1 74 PRO HG3 . . 4.680 4.491 4.471 4.505 . 0 0 "[ . 1 . 2]" 1 952 1 62 TRP HZ3 1 73 ALA HA . . 5.070 5.029 4.969 5.076 0.006 19 0 "[ . 1 . 2]" 1 953 1 74 PRO HB2 1 75 ILE HG12 . . 3.770 3.552 3.475 3.665 . 0 0 "[ . 1 . 2]" 1 954 1 74 PRO HB2 1 76 THR MG . . 4.700 4.605 4.459 4.706 0.006 2 0 "[ . 1 . 2]" 1 955 1 73 ALA HA 1 74 PRO HD2 . . 2.950 2.431 2.400 2.455 . 0 0 "[ . 1 . 2]" 1 956 1 73 ALA MB 1 74 PRO HD2 . . 3.040 2.083 2.049 2.177 . 0 0 "[ . 1 . 2]" 1 957 1 75 ILE HA 1 75 ILE HG13 . . 3.650 3.638 3.634 3.642 . 0 0 "[ . 1 . 2]" 1 958 1 75 ILE HA 1 75 ILE HG12 . . 3.770 3.768 3.762 3.773 0.003 18 0 "[ . 1 . 2]" 1 959 1 75 ILE HB 1 75 ILE MD . . 3.040 2.194 2.163 2.236 . 0 0 "[ . 1 . 2]" 1 960 1 75 ILE HG12 1 75 ILE MG . . 3.310 2.182 2.137 2.219 . 0 0 "[ . 1 . 2]" 1 961 1 59 LEU HA 1 75 ILE MG . . 4.910 4.418 4.306 4.544 . 0 0 "[ . 1 . 2]" 1 962 1 76 THR H 1 76 THR MG . . 3.570 3.015 2.550 3.441 . 0 0 "[ . 1 . 2]" 1 963 1 68 LYS H 1 68 LYS HB3 . . 4.020 3.784 3.623 3.903 . 0 0 "[ . 1 . 2]" 1 964 1 68 LYS HA 1 68 LYS QE . . 4.580 4.133 2.801 4.611 0.031 19 0 "[ . 1 . 2]" 1 965 1 63 LYS HA 1 63 LYS QE . . 5.500 3.823 2.175 4.424 . 0 0 "[ . 1 . 2]" 1 966 1 64 ARG HB2 1 64 ARG QD . . 3.650 2.105 2.027 2.410 . 0 0 "[ . 1 . 2]" 1 967 1 64 ARG HA 1 64 ARG HG3 . . 3.860 2.334 2.218 2.393 . 0 0 "[ . 1 . 2]" 1 968 1 64 ARG HB3 1 64 ARG QD . . 3.650 2.808 2.566 3.197 . 0 0 "[ . 1 . 2]" 1 969 1 64 ARG H 1 64 ARG HB3 . . 3.830 3.456 3.394 3.515 . 0 0 "[ . 1 . 2]" 1 970 1 53 ARG H 1 53 ARG HG2 . . 3.840 3.359 2.486 3.946 0.106 3 0 "[ . 1 . 2]" 1 971 1 43 VAL MG2 1 46 LYS HA . . 3.760 3.616 3.536 3.761 0.001 7 0 "[ . 1 . 2]" 1 972 1 46 LYS HA 1 46 LYS HG2 . . 3.800 2.351 2.323 2.445 . 0 0 "[ . 1 . 2]" 1 973 1 20 GLU HG3 1 40 PHE HZ . . 3.820 2.881 2.137 3.830 0.010 13 0 "[ . 1 . 2]" 1 974 1 21 GLY HA3 1 40 PHE QD . . 3.850 3.309 3.211 3.415 . 0 0 "[ . 1 . 2]" 1 975 1 25 TYR QE 1 27 ARG QG . . 4.560 3.634 2.242 4.561 0.001 7 0 "[ . 1 . 2]" 1 976 1 25 TYR QE 1 35 VAL MG2 . . 4.960 4.373 3.406 4.974 0.014 20 0 "[ . 1 . 2]" 1 977 1 62 TRP HD1 1 63 LYS H . . 3.390 1.972 1.938 2.098 . 0 0 "[ . 1 . 2]" 1 978 1 62 TRP HD1 1 73 ALA MB . . 4.250 4.211 4.176 4.261 0.011 16 0 "[ . 1 . 2]" 1 979 1 40 PHE QE 1 42 LEU MD2 . . 3.650 2.774 2.521 2.957 . 0 0 "[ . 1 . 2]" 1 980 1 25 TYR QD 1 35 VAL MG1 . . 4.170 3.140 2.213 3.786 . 0 0 "[ . 1 . 2]" 1 981 1 25 TYR QD 1 27 ARG QG . . 4.140 3.373 2.401 4.164 0.024 20 0 "[ . 1 . 2]" 1 982 1 25 TYR QD 1 26 LYS H . . 3.890 2.939 2.565 3.474 . 0 0 "[ . 1 . 2]" 1 983 1 8 TRP HA 1 8 TRP HD1 . . 4.580 4.356 4.213 4.493 . 0 0 "[ . 1 . 2]" 1 984 1 25 TYR QD 1 35 VAL MG2 . . 3.520 2.801 2.030 3.385 . 0 0 "[ . 1 . 2]" 1 985 1 29 HIS HA 1 29 HIS HD2 . . 4.200 3.181 2.200 4.279 0.079 17 0 "[ . 1 . 2]" 1 986 1 44 LYS HG2 1 45 TRP HD1 . . 2.850 2.605 2.000 2.787 . 0 0 "[ . 1 . 2]" 1 987 1 44 LYS QE 1 45 TRP HD1 . . 3.000 2.706 2.019 2.998 . 0 0 "[ . 1 . 2]" 1 988 1 2 ASN QB 1 3 GLU H . . 3.940 3.078 2.000 3.902 . 0 0 "[ . 1 . 2]" 1 989 1 3 GLU H 1 3 GLU QB . . 2.890 2.363 2.158 2.658 . 0 0 "[ . 1 . 2]" 1 990 1 3 GLU QB 1 4 CYS H . . 3.270 2.212 2.039 2.360 . 0 0 "[ . 1 . 2]" 1 991 1 5 ILE H 1 5 ILE QG . . 3.090 2.183 2.001 2.323 . 0 0 "[ . 1 . 2]" 1 992 1 5 ILE HA 1 5 ILE QG . . 3.530 2.451 2.427 2.474 . 0 0 "[ . 1 . 2]" 1 993 1 5 ILE HA 1 9 LEU QD . . 4.130 3.476 3.079 4.091 . 0 0 "[ . 1 . 2]" 1 994 1 5 ILE MG 1 9 LEU QB . . 2.990 2.429 2.147 2.755 . 0 0 "[ . 1 . 2]" 1 995 1 5 ILE MG 1 34 CYS QB . . 4.050 3.538 2.795 3.976 . 0 0 "[ . 1 . 2]" 1 996 1 5 ILE QG 1 6 ARG H . . 4.920 4.136 3.996 4.290 . 0 0 "[ . 1 . 2]" 1 997 1 5 ILE MD 1 11 CYS QB . . 5.340 4.550 3.575 5.044 . 0 0 "[ . 1 . 2]" 1 998 1 5 ILE MD 1 14 ARG QD . . 3.190 2.867 1.949 3.199 0.009 9 0 "[ . 1 . 2]" 1 999 1 5 ILE MD 1 17 ASP QB . . 3.320 3.192 2.742 3.329 0.009 9 0 "[ . 1 . 2]" 1 1000 1 6 ARG H 1 6 ARG QG . . 3.060 2.978 2.871 3.054 . 0 0 "[ . 1 . 2]" 1 1001 1 6 ARG H 1 9 LEU QB . . 4.130 3.572 3.155 3.885 . 0 0 "[ . 1 . 2]" 1 1002 1 6 ARG H 1 9 LEU QD . . 3.280 2.481 1.946 2.899 . 0 0 "[ . 1 . 2]" 1 1003 1 6 ARG HA 1 6 ARG QG . . 3.070 2.288 2.185 2.356 . 0 0 "[ . 1 . 2]" 1 1004 1 6 ARG HA 1 9 LEU QD . . 4.440 4.220 4.052 4.391 . 0 0 "[ . 1 . 2]" 1 1005 1 6 ARG HB2 1 9 LEU QD . . 3.350 2.066 1.886 2.313 . 0 0 "[ . 1 . 2]" 1 1006 1 6 ARG HB3 1 9 LEU QD . . 3.650 3.399 3.082 3.656 0.006 15 0 "[ . 1 . 2]" 1 1007 1 6 ARG QG 1 7 LYS H . . 4.040 3.822 3.584 4.035 . 0 0 "[ . 1 . 2]" 1 1008 1 6 ARG QG 1 9 LEU QD . . 3.650 3.447 3.154 3.650 . 15 0 "[ . 1 . 2]" 1 1009 1 6 ARG QD 1 9 LEU QD . . 3.030 2.107 1.903 2.681 . 0 0 "[ . 1 . 2]" 1 1010 1 7 LYS H 1 7 LYS QG . . 4.350 3.965 3.940 4.013 . 0 0 "[ . 1 . 2]" 1 1011 1 7 LYS HA 1 34 CYS QB . . 5.090 2.679 2.152 3.308 . 0 0 "[ . 1 . 2]" 1 1012 1 7 LYS QB 1 7 LYS QE . . 3.360 2.108 1.947 2.452 . 0 0 "[ . 1 . 2]" 1 1013 1 7 LYS QB 1 22 LEU MD1 . . 3.360 2.380 1.927 2.883 . 0 0 "[ . 1 . 2]" 1 1014 1 7 LYS QG 1 8 TRP H . . 4.650 2.374 2.169 2.589 . 0 0 "[ . 1 . 2]" 1 1015 1 7 LYS QG 1 9 LEU H . . 5.340 4.822 4.663 4.972 . 0 0 "[ . 1 . 2]" 1 1016 1 7 LYS QD 1 36 PRO QG . . 3.440 2.943 2.488 3.454 0.014 9 0 "[ . 1 . 2]" 1 1017 1 8 TRP H 1 33 VAL QG . . 3.980 3.098 2.691 3.424 . 0 0 "[ . 1 . 2]" 1 1018 1 8 TRP HA 1 33 VAL QG . . 3.330 1.922 1.884 1.974 . 0 0 "[ . 1 . 2]" 1 1019 1 8 TRP QB 1 8 TRP HD1 . . 3.380 2.520 2.495 2.548 . 0 0 "[ . 1 . 2]" 1 1020 1 8 TRP QB 1 8 TRP HE1 . . 4.660 4.399 4.376 4.413 . 0 0 "[ . 1 . 2]" 1 1021 1 8 TRP HE3 1 33 VAL QG . . 3.410 2.033 1.908 2.896 . 0 0 "[ . 1 . 2]" 1 1022 1 8 TRP HZ3 1 33 VAL QG . . 5.440 2.958 2.630 3.854 . 0 0 "[ . 1 . 2]" 1 1023 1 9 LEU H 1 9 LEU QB . . 3.100 2.501 2.443 2.555 . 0 0 "[ . 1 . 2]" 1 1024 1 9 LEU H 1 9 LEU QD . . 4.000 3.872 3.727 3.937 . 0 0 "[ . 1 . 2]" 1 1025 1 9 LEU H 1 34 CYS QB . . 4.120 3.665 3.099 4.144 0.024 15 0 "[ . 1 . 2]" 1 1026 1 9 LEU HA 1 9 LEU QD . . 3.110 2.468 2.002 3.097 . 0 0 "[ . 1 . 2]" 1 1027 1 9 LEU HA 1 33 VAL QG . . 4.790 3.542 3.247 3.909 . 0 0 "[ . 1 . 2]" 1 1028 1 9 LEU QB 1 10 SER H . . 3.070 2.006 1.926 2.087 . 0 0 "[ . 1 . 2]" 1 1029 1 9 LEU QB 1 10 SER QB . . 5.120 3.945 3.539 4.459 . 0 0 "[ . 1 . 2]" 1 1030 1 9 LEU QD 1 10 SER H . . 3.950 3.116 2.008 3.583 . 0 0 "[ . 1 . 2]" 1 1031 1 9 LEU QD 1 10 SER QB . . 4.100 3.031 1.860 3.924 . 0 0 "[ . 1 . 2]" 1 1032 1 10 SER H 1 10 SER QB . . 3.560 3.190 2.921 3.447 . 0 0 "[ . 1 . 2]" 1 1033 1 10 SER H 1 33 VAL QG . . 3.770 3.292 2.564 3.668 . 0 0 "[ . 1 . 2]" 1 1034 1 10 SER QB 1 11 CYS H . . 3.820 3.425 3.222 3.784 . 0 0 "[ . 1 . 2]" 1 1035 1 10 SER QB 1 11 CYS HA . . 4.620 4.457 4.302 4.632 0.012 13 0 "[ . 1 . 2]" 1 1036 1 10 SER QB 1 31 PHE QD . . 4.220 3.840 2.959 4.235 0.015 8 0 "[ . 1 . 2]" 1 1037 1 10 SER QB 1 33 VAL QG . . 4.060 3.415 2.981 3.760 . 0 0 "[ . 1 . 2]" 1 1038 1 11 CYS H 1 12 VAL QG . . 3.800 3.241 3.066 3.444 . 0 0 "[ . 1 . 2]" 1 1039 1 11 CYS H 1 33 VAL QG . . 3.680 2.853 2.246 3.466 . 0 0 "[ . 1 . 2]" 1 1040 1 11 CYS QB 1 15 LYS HA . . 4.410 3.517 1.989 4.412 0.002 1 0 "[ . 1 . 2]" 1 1041 1 12 VAL H 1 12 VAL QG . . 3.070 2.009 1.866 2.143 . 0 0 "[ . 1 . 2]" 1 1042 1 12 VAL HA 1 12 VAL QG . . 2.830 2.143 2.040 2.326 . 0 0 "[ . 1 . 2]" 1 1043 1 12 VAL HA 1 32 GLU QG . . 4.510 4.147 3.102 4.539 0.029 9 0 "[ . 1 . 2]" 1 1044 1 12 VAL QG 1 31 PHE HA . . 4.020 3.815 3.021 4.035 0.015 19 0 "[ . 1 . 2]" 1 1045 1 12 VAL QG 1 31 PHE QB . . 3.560 2.731 1.870 3.732 0.172 9 0 "[ . 1 . 2]" 1 1046 1 12 VAL QG 1 31 PHE QD . . 3.660 3.441 2.284 3.677 0.017 20 0 "[ . 1 . 2]" 1 1047 1 12 VAL QG 1 32 GLU QB . . 4.700 3.867 1.921 4.710 0.010 17 0 "[ . 1 . 2]" 1 1048 1 12 VAL QG 1 32 GLU QG . . 3.410 2.802 1.935 3.427 0.017 15 0 "[ . 1 . 2]" 1 1049 1 15 LYS HA 1 24 CYS QB . . 4.080 3.385 2.021 4.083 0.003 20 0 "[ . 1 . 2]" 1 1050 1 15 LYS QB 1 24 CYS QB . . 3.670 2.237 1.918 2.791 . 0 0 "[ . 1 . 2]" 1 1051 1 16 ASN H 1 16 ASN QB . . 3.430 2.375 2.200 2.731 . 0 0 "[ . 1 . 2]" 1 1052 1 16 ASN H 1 16 ASN QD . . 4.660 3.961 2.192 4.601 . 0 0 "[ . 1 . 2]" 1 1053 1 16 ASN QB 1 16 ASN QD . . 3.100 2.180 2.065 2.412 . 0 0 "[ . 1 . 2]" 1 1054 1 16 ASN QB 1 17 ASP H . . 3.720 3.134 2.750 3.680 . 0 0 "[ . 1 . 2]" 1 1055 1 18 CYS H 1 18 CYS QB . . 3.280 2.139 2.070 2.260 . 0 0 "[ . 1 . 2]" 1 1056 1 18 CYS QB 1 19 CYS H . . 3.480 2.201 2.154 2.291 . 0 0 "[ . 1 . 2]" 1 1057 1 18 CYS QB 1 22 LEU H . . 4.720 4.428 4.240 4.538 . 0 0 "[ . 1 . 2]" 1 1058 1 18 CYS QB 1 22 LEU HB2 . . 3.110 2.564 2.379 2.665 . 0 0 "[ . 1 . 2]" 1 1059 1 18 CYS QB 1 22 LEU HB3 . . 3.470 2.903 2.719 2.972 . 0 0 "[ . 1 . 2]" 1 1060 1 18 CYS QB 1 22 LEU MD1 . . 3.730 2.827 2.553 3.031 . 0 0 "[ . 1 . 2]" 1 1061 1 18 CYS QB 1 23 GLU H . . 4.480 4.376 4.169 4.479 . 0 0 "[ . 1 . 2]" 1 1062 1 19 CYS HA 1 20 GLU QB . . 4.470 4.279 4.250 4.323 . 0 0 "[ . 1 . 2]" 1 1063 1 20 GLU H 1 20 GLU QG . . 4.460 3.996 3.945 4.081 . 0 0 "[ . 1 . 2]" 1 1064 1 20 GLU HA 1 20 GLU QG . . 3.090 2.458 2.309 2.890 . 0 0 "[ . 1 . 2]" 1 1065 1 20 GLU HA 1 21 GLY QA . . 4.520 3.898 3.898 3.899 . 0 0 "[ . 1 . 2]" 1 1066 1 20 GLU QB 1 21 GLY H . . 3.990 3.889 3.878 3.896 . 0 0 "[ . 1 . 2]" 1 1067 1 20 GLU QG 1 21 GLY H . . 3.580 3.095 2.948 3.386 . 0 0 "[ . 1 . 2]" 1 1068 1 20 GLU QG 1 40 PHE HZ . . 3.310 2.284 1.993 2.622 . 0 0 "[ . 1 . 2]" 1 1069 1 20 GLU QG 1 42 LEU MD2 . . 4.690 2.999 2.820 3.214 . 0 0 "[ . 1 . 2]" 1 1070 1 21 GLY QA 1 37 ILE MD . . 3.010 2.465 1.959 2.746 . 0 0 "[ . 1 . 2]" 1 1071 1 21 GLY QA 1 40 PHE HZ . . 3.970 3.031 2.890 3.396 . 0 0 "[ . 1 . 2]" 1 1072 1 22 LEU H 1 23 GLU QB . . 5.340 5.183 4.655 5.427 0.087 20 0 "[ . 1 . 2]" 1 1073 1 22 LEU HB2 1 34 CYS QB . . 3.650 3.364 3.169 3.644 . 0 0 "[ . 1 . 2]" 1 1074 1 22 LEU HB3 1 34 CYS QB . . 3.540 2.160 1.991 2.470 . 0 0 "[ . 1 . 2]" 1 1075 1 22 LEU MD1 1 34 CYS QB . . 2.990 2.336 1.873 2.569 . 0 0 "[ . 1 . 2]" 1 1076 1 22 LEU MD2 1 36 PRO QG . . 4.330 4.039 3.874 4.124 . 0 0 "[ . 1 . 2]" 1 1077 1 23 GLU H 1 23 GLU QB . . 3.640 2.802 2.461 3.168 . 0 0 "[ . 1 . 2]" 1 1078 1 23 GLU H 1 23 GLU QG . . 3.990 3.292 2.479 4.053 0.063 18 0 "[ . 1 . 2]" 1 1079 1 23 GLU QB 1 24 CYS H . . 3.180 2.693 2.314 3.242 0.062 13 0 "[ . 1 . 2]" 1 1080 1 23 GLU QB 1 35 VAL MG2 . . 4.350 3.204 2.550 4.157 . 0 0 "[ . 1 . 2]" 1 1081 1 23 GLU QB 1 37 ILE H . . 5.000 4.777 4.114 5.017 0.017 11 0 "[ . 1 . 2]" 1 1082 1 23 GLU QB 1 37 ILE HG12 . . 3.240 2.506 2.096 2.768 . 0 0 "[ . 1 . 2]" 1 1083 1 23 GLU QB 1 37 ILE HG13 . . 3.790 2.701 2.241 3.000 . 0 0 "[ . 1 . 2]" 1 1084 1 23 GLU QB 1 37 ILE MD . . 3.170 2.753 2.042 3.190 0.020 10 0 "[ . 1 . 2]" 1 1085 1 23 GLU QG 1 24 CYS H . . 4.380 3.519 2.363 4.174 . 0 0 "[ . 1 . 2]" 1 1086 1 23 GLU QG 1 35 VAL MG2 . . 4.250 3.514 2.198 4.369 0.119 20 0 "[ . 1 . 2]" 1 1087 1 23 GLU QG 1 37 ILE HG12 . . 3.230 2.413 1.983 3.039 . 0 0 "[ . 1 . 2]" 1 1088 1 23 GLU QG 1 37 ILE HG13 . . 4.190 2.841 2.297 3.861 . 0 0 "[ . 1 . 2]" 1 1089 1 23 GLU QG 1 37 ILE MD . . 3.430 2.628 1.831 3.421 . 0 0 "[ . 1 . 2]" 1 1090 1 24 CYS H 1 24 CYS QB . . 2.890 2.234 2.130 2.370 . 0 0 "[ . 1 . 2]" 1 1091 1 25 TYR H 1 25 TYR QB . . 3.310 2.391 2.320 2.723 . 0 0 "[ . 1 . 2]" 1 1092 1 25 TYR HA 1 26 LYS QB . . 4.640 4.231 3.968 4.617 . 0 0 "[ . 1 . 2]" 1 1093 1 25 TYR QB 1 26 LYS H . . 3.690 3.280 2.417 3.662 . 0 0 "[ . 1 . 2]" 1 1094 1 25 TYR QB 1 35 VAL MG1 . . 3.170 2.149 1.882 2.637 . 0 0 "[ . 1 . 2]" 1 1095 1 25 TYR QB 1 35 VAL MG2 . . 2.880 1.968 1.795 2.187 . 0 0 "[ . 1 . 2]" 1 1096 1 26 LYS H 1 26 LYS QB . . 3.270 2.567 2.248 3.062 . 0 0 "[ . 1 . 2]" 1 1097 1 27 ARG QG 1 30 SER QB . . 3.360 2.754 1.905 3.365 0.005 11 0 "[ . 1 . 2]" 1 1098 1 27 ARG QD 1 30 SER QB . . 3.690 2.865 1.744 3.768 0.078 20 0 "[ . 1 . 2]" 1 1099 1 28 ARG H 1 28 ARG QB . . 3.250 2.357 2.132 3.038 . 0 0 "[ . 1 . 2]" 1 1100 1 28 ARG QB 1 28 ARG QD . . 3.280 2.158 1.963 2.618 . 0 0 "[ . 1 . 2]" 1 1101 1 28 ARG QB 1 29 HIS H . . 3.710 2.190 1.920 3.399 . 0 0 "[ . 1 . 2]" 1 1102 1 30 SER QB 1 31 PHE H . . 3.670 2.680 1.935 3.542 . 0 0 "[ . 1 . 2]" 1 1103 1 31 PHE QB 1 33 VAL QG . . 3.850 3.728 3.246 3.860 0.010 5 0 "[ . 1 . 2]" 1 1104 1 31 PHE QD 1 33 VAL QG . . 3.050 2.148 1.919 2.755 . 0 0 "[ . 1 . 2]" 1 1105 1 31 PHE QE 1 33 VAL QG . . 4.130 2.108 1.905 4.141 0.011 9 0 "[ . 1 . 2]" 1 1106 1 33 VAL HA 1 33 VAL QG . . 3.040 2.282 2.058 2.428 . 0 0 "[ . 1 . 2]" 1 1107 1 33 VAL QG 1 34 CYS QB . . 3.870 3.820 3.340 3.946 0.076 2 0 "[ . 1 . 2]" 1 1108 1 33 VAL QG 1 35 VAL MG1 . . 3.420 2.853 2.411 3.450 0.030 13 0 "[ . 1 . 2]" 1 1109 1 34 CYS H 1 34 CYS QB . . 3.470 2.483 2.283 2.594 . 0 0 "[ . 1 . 2]" 1 1110 1 34 CYS QB 1 35 VAL H . . 4.210 2.891 2.609 3.311 . 0 0 "[ . 1 . 2]" 1 1111 1 35 VAL MG1 1 36 PRO QG . . 4.780 4.355 4.189 4.506 . 0 0 "[ . 1 . 2]" 1 1112 1 38 PRO HA 1 39 GLY QA . . 4.100 3.934 3.913 3.944 . 0 0 "[ . 1 . 2]" 1 1113 1 38 PRO QB 1 39 GLY H . . 3.460 3.271 3.195 3.433 . 0 0 "[ . 1 . 2]" 1 1114 1 38 PRO QB 1 40 PHE H . . 5.050 4.612 4.558 4.798 . 0 0 "[ . 1 . 2]" 1 1115 1 39 GLY QA 1 40 PHE HA . . 5.170 4.150 4.145 4.157 . 0 0 "[ . 1 . 2]" 1 1116 1 42 LEU HA 1 59 LEU QD . . 4.480 4.361 4.234 4.426 . 0 0 "[ . 1 . 2]" 1 1117 1 42 LEU MD1 1 51 ARG QG . . 3.310 2.615 2.535 2.723 . 0 0 "[ . 1 . 2]" 1 1118 1 42 LEU MD1 1 51 ARG QD . . 3.840 3.474 3.196 3.776 . 0 0 "[ . 1 . 2]" 1 1119 1 42 LEU MD2 1 46 LYS QE . . 3.550 3.222 3.083 3.370 . 0 0 "[ . 1 . 2]" 1 1120 1 42 LEU MD2 1 51 ARG QD . . 5.340 3.974 3.224 4.340 . 0 0 "[ . 1 . 2]" 1 1121 1 43 VAL H 1 46 LYS QE . . 4.170 3.889 3.646 4.089 . 0 0 "[ . 1 . 2]" 1 1122 1 43 VAL HA 1 59 LEU QD . . 3.120 2.034 1.940 2.125 . 0 0 "[ . 1 . 2]" 1 1123 1 43 VAL HB 1 59 LEU QD . . 3.860 3.695 3.623 3.744 . 0 0 "[ . 1 . 2]" 1 1124 1 43 VAL MG1 1 46 LYS QE . . 4.710 3.950 3.846 4.054 . 0 0 "[ . 1 . 2]" 1 1125 1 43 VAL MG2 1 46 LYS QE . . 3.360 3.069 2.905 3.266 . 0 0 "[ . 1 . 2]" 1 1126 1 44 LYS H 1 44 LYS QD . . 3.590 2.375 2.048 3.290 . 0 0 "[ . 1 . 2]" 1 1127 1 44 LYS H 1 59 LEU QD . . 3.010 2.769 2.704 2.839 . 0 0 "[ . 1 . 2]" 1 1128 1 44 LYS HA 1 59 LEU QD . . 3.400 2.469 2.379 2.563 . 0 0 "[ . 1 . 2]" 1 1129 1 44 LYS QB 1 59 LEU QD . . 3.340 2.088 1.971 2.238 . 0 0 "[ . 1 . 2]" 1 1130 1 44 LYS HG2 1 59 LEU QD . . 4.700 4.158 4.043 4.289 . 0 0 "[ . 1 . 2]" 1 1131 1 44 LYS QD 1 45 TRP HD1 . . 4.110 3.744 3.601 4.109 . 0 0 "[ . 1 . 2]" 1 1132 1 44 LYS QD 1 45 TRP HE1 . . 4.070 3.966 3.169 4.076 0.006 12 0 "[ . 1 . 2]" 1 1133 1 44 LYS QD 1 59 LEU QD . . 4.850 3.162 3.019 3.341 . 0 0 "[ . 1 . 2]" 1 1134 1 44 LYS QD 1 73 ALA HA . . 5.070 4.673 4.523 4.771 . 0 0 "[ . 1 . 2]" 1 1135 1 44 LYS QD 1 74 PRO HG3 . . 3.780 3.546 3.073 3.768 . 0 0 "[ . 1 . 2]" 1 1136 1 44 LYS QE 1 59 LEU QD . . 5.440 4.624 3.324 4.898 . 0 0 "[ . 1 . 2]" 1 1137 1 46 LYS H 1 59 LEU QD . . 4.480 4.373 4.123 4.496 0.016 3 0 "[ . 1 . 2]" 1 1138 1 46 LYS HA 1 46 LYS QE . . 4.760 4.509 4.455 4.714 . 0 0 "[ . 1 . 2]" 1 1139 1 46 LYS QE 1 46 LYS HG2 . . 3.510 2.804 2.670 3.276 . 0 0 "[ . 1 . 2]" 1 1140 1 46 LYS QE 1 46 LYS HG3 . . 3.500 2.221 2.108 2.475 . 0 0 "[ . 1 . 2]" 1 1141 1 47 GLN QE 1 47 GLN HG3 . . 3.210 2.301 2.144 2.476 . 0 0 "[ . 1 . 2]" 1 1142 1 47 GLN QE 1 69 SER H . . 4.340 4.075 3.919 4.243 . 0 0 "[ . 1 . 2]" 1 1143 1 47 GLN QE 1 69 SER QB . . 3.410 2.112 1.895 2.391 . 0 0 "[ . 1 . 2]" 1 1144 1 48 CYS H 1 70 SER QB . . 4.380 3.732 3.166 4.268 . 0 0 "[ . 1 . 2]" 1 1145 1 49 ASP H 1 49 ASP QB . . 2.960 2.226 2.094 2.426 . 0 0 "[ . 1 . 2]" 1 1146 1 49 ASP QB 1 50 GLY H . . 3.970 3.786 3.378 3.864 . 0 0 "[ . 1 . 2]" 1 1147 1 49 ASP QB 1 50 GLY QA . . 4.490 4.187 4.008 4.356 . 0 0 "[ . 1 . 2]" 1 1148 1 51 ARG H 1 51 ARG QG . . 3.550 3.054 2.473 3.631 0.081 10 0 "[ . 1 . 2]" 1 1149 1 51 ARG H 1 51 ARG QD . . 4.340 3.267 2.457 4.318 . 0 0 "[ . 1 . 2]" 1 1150 1 51 ARG H 1 54 ASP QB . . 5.110 4.765 4.663 4.884 . 0 0 "[ . 1 . 2]" 1 1151 1 51 ARG HA 1 51 ARG QD . . 3.470 2.505 1.963 3.084 . 0 0 "[ . 1 . 2]" 1 1152 1 51 ARG HB2 1 54 ASP QB . . 3.670 3.371 3.298 3.398 . 0 0 "[ . 1 . 2]" 1 1153 1 51 ARG HB3 1 51 ARG QD . . 3.180 2.733 2.280 3.270 0.090 18 0 "[ . 1 . 2]" 1 1154 1 51 ARG HB3 1 54 ASP QB . . 3.620 1.897 1.850 1.917 . 0 0 "[ . 1 . 2]" 1 1155 1 51 ARG QG 1 52 GLU H . . 4.750 4.740 4.622 4.782 0.032 7 0 "[ . 1 . 2]" 1 1156 1 51 ARG QG 1 54 ASP QB . . 4.450 2.958 2.416 3.481 . 0 0 "[ . 1 . 2]" 1 1157 1 51 ARG QD 1 52 GLU H . . 5.140 4.569 4.388 5.081 . 0 0 "[ . 1 . 2]" 1 1158 1 52 GLU QG 1 53 ARG QG . . 3.920 2.048 1.840 3.717 . 0 0 "[ . 1 . 2]" 1 1159 1 52 GLU QG 1 53 ARG QD . . 4.370 3.475 1.897 3.965 . 0 0 "[ . 1 . 2]" 1 1160 1 53 ARG H 1 53 ARG QB . . 3.240 2.770 2.633 3.165 . 0 0 "[ . 1 . 2]" 1 1161 1 53 ARG H 1 53 ARG QG . . 3.350 2.625 1.904 2.942 . 0 0 "[ . 1 . 2]" 1 1162 1 53 ARG HA 1 53 ARG QG . . 3.000 2.654 2.394 3.302 0.302 12 0 "[ . 1 . 2]" 1 1163 1 53 ARG HA 1 53 ARG QD . . 4.770 4.013 3.679 4.482 . 0 0 "[ . 1 . 2]" 1 1164 1 53 ARG QB 1 54 ASP H . . 3.960 3.751 2.975 3.978 0.018 12 0 "[ . 1 . 2]" 1 1165 1 53 ARG QG 1 54 ASP H . . 4.460 4.201 3.430 4.455 . 0 0 "[ . 1 . 2]" 1 1166 1 54 ASP QB 1 55 CYS H . . 3.990 3.017 2.927 3.059 . 0 0 "[ . 1 . 2]" 1 1167 1 55 CYS H 1 59 LEU QD . . 5.170 4.910 4.801 4.978 . 0 0 "[ . 1 . 2]" 1 1168 1 55 CYS HA 1 59 LEU QD . . 3.430 3.351 3.161 3.445 0.015 10 0 "[ . 1 . 2]" 1 1169 1 55 CYS HB2 1 59 LEU QD . . 3.660 3.405 3.313 3.513 . 0 0 "[ . 1 . 2]" 1 1170 1 55 CYS HB3 1 59 LEU QD . . 2.850 2.028 1.905 2.151 . 0 0 "[ . 1 . 2]" 1 1171 1 56 CYS H 1 59 LEU QD . . 3.170 1.932 1.898 2.007 . 0 0 "[ . 1 . 2]" 1 1172 1 56 CYS HA 1 59 LEU QD . . 4.330 4.104 4.006 4.281 . 0 0 "[ . 1 . 2]" 1 1173 1 56 CYS HB2 1 59 LEU QD . . 2.960 2.171 1.963 2.676 . 0 0 "[ . 1 . 2]" 1 1174 1 56 CYS HB3 1 59 LEU QD . . 3.680 3.442 3.337 3.646 . 0 0 "[ . 1 . 2]" 1 1175 1 57 ALA MB 1 58 GLY QA . . 3.880 3.662 3.604 3.726 . 0 0 "[ . 1 . 2]" 1 1176 1 58 GLY QA 1 59 LEU H . . 3.120 2.874 2.862 2.887 . 0 0 "[ . 1 . 2]" 1 1177 1 58 GLY QA 1 59 LEU QD . . 5.070 4.225 4.034 4.335 . 0 0 "[ . 1 . 2]" 1 1178 1 58 GLY QA 1 75 ILE HG12 . . 4.090 3.472 3.328 3.578 . 0 0 "[ . 1 . 2]" 1 1179 1 58 GLY QA 1 75 ILE MD . . 4.060 3.934 3.767 4.007 . 0 0 "[ . 1 . 2]" 1 1180 1 59 LEU H 1 59 LEU QD . . 3.530 3.324 3.148 3.410 . 0 0 "[ . 1 . 2]" 1 1181 1 59 LEU HA 1 59 LEU QD . . 3.130 2.033 1.937 2.093 . 0 0 "[ . 1 . 2]" 1 1182 1 59 LEU HB3 1 59 LEU QD . . 3.000 2.130 2.030 2.346 . 0 0 "[ . 1 . 2]" 1 1183 1 59 LEU QD 1 60 GLU H . . 3.230 2.859 2.734 3.153 . 0 0 "[ . 1 . 2]" 1 1184 1 59 LEU QD 1 72 CYS HA . . 5.430 4.197 4.091 4.285 . 0 0 "[ . 1 . 2]" 1 1185 1 59 LEU QD 1 72 CYS HB2 . . 5.020 3.293 2.880 3.510 . 0 0 "[ . 1 . 2]" 1 1186 1 59 LEU QD 1 72 CYS HB3 . . 3.240 2.291 1.958 2.505 . 0 0 "[ . 1 . 2]" 1 1187 1 59 LEU QD 1 73 ALA H . . 3.900 3.087 2.876 3.526 . 0 0 "[ . 1 . 2]" 1 1188 1 59 LEU QD 1 73 ALA HA . . 3.820 2.766 2.607 3.061 . 0 0 "[ . 1 . 2]" 1 1189 1 59 LEU QD 1 73 ALA MB . . 4.170 3.691 3.584 3.897 . 0 0 "[ . 1 . 2]" 1 1190 1 59 LEU QD 1 74 PRO HA . . 2.820 1.979 1.964 2.017 . 0 0 "[ . 1 . 2]" 1 1191 1 59 LEU QD 1 74 PRO HB2 . . 3.910 3.900 3.858 3.921 0.011 20 0 "[ . 1 . 2]" 1 1192 1 59 LEU QD 1 74 PRO HB3 . . 3.370 2.754 2.680 2.804 . 0 0 "[ . 1 . 2]" 1 1193 1 59 LEU QD 1 74 PRO HG2 . . 4.560 4.367 4.341 4.402 . 0 0 "[ . 1 . 2]" 1 1194 1 59 LEU QD 1 74 PRO HG3 . . 3.880 3.920 3.904 3.937 0.057 6 0 "[ . 1 . 2]" 1 1195 1 59 LEU QD 1 74 PRO HD2 . . 3.880 3.726 3.663 3.811 . 0 0 "[ . 1 . 2]" 1 1196 1 59 LEU QD 1 74 PRO HD3 . . 3.630 2.710 2.663 2.761 . 0 0 "[ . 1 . 2]" 1 1197 1 59 LEU QD 1 75 ILE H . . 4.400 4.121 4.047 4.159 . 0 0 "[ . 1 . 2]" 1 1198 1 62 TRP HE1 1 64 ARG QG . . 4.030 3.849 3.520 4.029 . 0 0 "[ . 1 . 2]" 1 1199 1 63 LYS H 1 64 ARG QB . . 5.180 5.075 4.990 5.180 . 0 0 "[ . 1 . 2]" 1 1200 1 63 LYS HA 1 70 SER QB . . 3.560 3.049 2.550 3.559 . 0 0 "[ . 1 . 2]" 1 1201 1 63 LYS QB 1 63 LYS QE . . 4.270 2.313 1.954 3.455 . 0 0 "[ . 1 . 2]" 1 1202 1 63 LYS QB 1 64 ARG H . . 4.020 3.934 3.910 3.964 . 0 0 "[ . 1 . 2]" 1 1203 1 63 LYS QB 1 70 SER QB . . 4.820 4.625 4.066 4.858 0.038 17 0 "[ . 1 . 2]" 1 1204 1 63 LYS QG 1 70 SER QB . . 4.020 3.669 3.412 4.086 0.066 2 0 "[ . 1 . 2]" 1 1205 1 64 ARG H 1 64 ARG QG . . 3.890 3.675 3.577 3.793 . 0 0 "[ . 1 . 2]" 1 1206 1 64 ARG H 1 70 SER QB . . 3.910 3.643 3.327 3.916 0.006 17 0 "[ . 1 . 2]" 1 1207 1 64 ARG HA 1 64 ARG QG . . 3.330 2.209 2.144 2.238 . 0 0 "[ . 1 . 2]" 1 1208 1 64 ARG QB 1 64 ARG QD . . 3.190 2.046 1.982 2.344 . 0 0 "[ . 1 . 2]" 1 1209 1 64 ARG QB 1 65 SER H . . 3.390 3.290 3.139 3.400 0.010 1 0 "[ . 1 . 2]" 1 1210 1 64 ARG QB 1 66 GLY H . . 5.340 5.243 5.078 5.374 0.034 16 0 "[ . 1 . 2]" 1 1211 1 64 ARG QB 1 67 ASN H . . 4.340 4.069 3.896 4.234 . 0 0 "[ . 1 . 2]" 1 1212 1 64 ARG QB 1 67 ASN QB . . 4.170 3.581 3.257 4.170 0.000 14 0 "[ . 1 . 2]" 1 1213 1 64 ARG QB 1 67 ASN QD . . 5.180 4.488 3.313 5.179 . 0 0 "[ . 1 . 2]" 1 1214 1 64 ARG QB 1 68 LYS H . . 5.340 3.625 3.498 3.983 . 0 0 "[ . 1 . 2]" 1 1215 1 64 ARG QG 1 65 SER H . . 3.610 3.462 3.358 3.556 . 0 0 "[ . 1 . 2]" 1 1216 1 64 ARG QG 1 67 ASN H . . 5.340 5.067 4.823 5.315 . 0 0 "[ . 1 . 2]" 1 1217 1 65 SER H 1 65 SER QB . . 3.230 2.914 2.511 3.186 . 0 0 "[ . 1 . 2]" 1 1218 1 65 SER QB 1 66 GLY H . . 3.120 3.025 2.897 3.121 0.001 11 0 "[ . 1 . 2]" 1 1219 1 66 GLY H 1 66 GLY QA . . 2.580 2.329 2.323 2.332 . 0 0 "[ . 1 . 2]" 1 1220 1 66 GLY H 1 67 ASN QB . . 4.940 4.715 4.568 4.941 0.001 14 0 "[ . 1 . 2]" 1 1221 1 66 GLY QA 1 67 ASN H . . 2.900 2.849 2.807 2.879 . 0 0 "[ . 1 . 2]" 1 1222 1 66 GLY QA 1 67 ASN HA . . 4.510 4.002 3.999 4.005 . 0 0 "[ . 1 . 2]" 1 1223 1 67 ASN H 1 67 ASN QB . . 3.240 2.428 2.341 2.678 . 0 0 "[ . 1 . 2]" 1 1224 1 67 ASN HA 1 67 ASN QD . . 4.510 3.770 3.428 4.048 . 0 0 "[ . 1 . 2]" 1 1225 1 67 ASN QB 1 67 ASN QD . . 3.050 2.122 2.064 2.256 . 0 0 "[ . 1 . 2]" 1 1226 1 67 ASN QB 1 68 LYS H . . 3.620 2.487 2.343 3.455 . 0 0 "[ . 1 . 2]" 1 1227 1 68 LYS HA 1 68 LYS QG . . 3.160 2.358 2.085 3.311 0.151 17 0 "[ . 1 . 2]" 1 1228 1 68 LYS QB 1 68 LYS QE . . 4.440 2.690 2.064 3.842 . 0 0 "[ . 1 . 2]" 1 1229 1 68 LYS QB 1 69 SER H . . 3.200 2.073 1.934 2.234 . 0 0 "[ . 1 . 2]" 1 1230 1 68 LYS QB 1 69 SER QB . . 3.990 3.580 3.492 3.690 . 0 0 "[ . 1 . 2]" 1 1231 1 68 LYS QE 1 68 LYS QG . . 3.170 2.279 2.062 2.793 . 0 0 "[ . 1 . 2]" 1 1232 1 68 LYS QG 1 69 SER H . . 4.690 3.336 2.756 3.992 . 0 0 "[ . 1 . 2]" 1 1233 1 70 SER QB 1 71 VAL H . . 3.500 3.357 3.278 3.573 0.073 17 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 18 _Distance_constraint_stats_list.Viol_count 330 _Distance_constraint_stats_list.Viol_total 1954.546 _Distance_constraint_stats_list.Viol_max 0.614 _Distance_constraint_stats_list.Viol_rms 0.2190 _Distance_constraint_stats_list.Viol_average_all_restraints 0.2715 _Distance_constraint_stats_list.Viol_average_violations_only 0.2961 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 4 CYS 19.604 0.602 10 19 "[** ******+****-*****]" 1 11 CYS 13.906 0.602 7 9 "[ * .*+ **-* . * *]" 1 18 CYS 11.058 0.601 18 5 "[ .* * .- +*2]" 1 19 CYS 19.604 0.602 10 19 "[** ******+****-*****]" 1 24 CYS 13.906 0.602 7 9 "[ * .*+ **-* . * *]" 1 34 CYS 11.058 0.601 18 5 "[ .* * .- +*2]" 1 41 CYS 13.740 0.614 15 18 "[***** ********+***-2]" 1 48 CYS 15.525 0.486 15 0 "[ . 1 . 2]" 1 55 CYS 23.894 0.609 14 20 [*************+****-*] 1 56 CYS 13.740 0.614 15 18 "[***** ********+***-2]" 1 61 CYS 15.525 0.486 15 0 "[ . 1 . 2]" 1 72 CYS 23.894 0.609 14 20 [*************+****-*] 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 4 CYS SG 1 19 CYS SG . . 1.960 1.992 1.957 2.097 0.137 15 0 "[ . 1 . 2]" 2 2 1 4 CYS SG 1 19 CYS CB . . 2.900 3.457 3.366 3.502 0.602 10 18 "[** **** *+****-*****]" 2 3 1 4 CYS CB 1 19 CYS SG . . 2.900 3.291 3.056 3.500 0.600 18 4 "[ *. - 1 * + 2]" 2 4 1 11 CYS SG 1 24 CYS SG . . 1.960 2.022 1.959 2.101 0.141 3 0 "[ . 1 . 2]" 2 5 1 11 CYS SG 1 24 CYS CB . . 2.900 3.200 2.898 3.502 0.602 7 5 "[ .*+ 1*- . *]" 2 6 1 11 CYS CB 1 24 CYS SG . . 2.900 3.233 2.912 3.501 0.601 18 4 "[ - . * * . + 2]" 2 7 1 18 CYS SG 1 34 CYS SG . . 1.960 2.021 1.958 2.103 0.143 20 0 "[ . 1 . 2]" 2 8 1 18 CYS SG 1 34 CYS CB . . 2.900 3.343 3.174 3.501 0.601 18 5 "[ .* * .- +*2]" 2 9 1 18 CYS CB 1 34 CYS SG . . 2.900 2.948 2.895 3.102 0.202 1 0 "[ . 1 . 2]" 2 10 1 41 CYS SG 1 56 CYS SG . . 1.960 1.972 1.948 2.104 0.144 20 0 "[ . 1 . 2]" 2 11 1 41 CYS SG 1 56 CYS CB . . 2.900 3.485 3.335 3.514 0.614 15 18 "[***** ********+***-2]" 2 12 1 41 CYS CB 1 56 CYS SG . . 2.900 2.988 2.928 3.156 0.256 6 0 "[ . 1 . 2]" 2 13 1 48 CYS SG 1 61 CYS SG . . 1.960 2.109 2.107 2.112 0.152 16 0 "[ . 1 . 2]" 2 14 1 48 CYS SG 1 61 CYS CB . . 2.900 3.346 3.329 3.386 0.486 15 0 "[ . 1 . 2]" 2 15 1 48 CYS CB 1 61 CYS SG . . 2.900 3.081 3.051 3.166 0.266 3 0 "[ . 1 . 2]" 2 16 1 55 CYS SG 1 72 CYS SG . . 1.960 2.077 2.000 2.103 0.143 3 0 "[ . 1 . 2]" 2 17 1 55 CYS SG 1 72 CYS CB . . 2.900 3.465 3.401 3.509 0.609 14 20 [*************+****-*] 2 18 1 55 CYS CB 1 72 CYS SG . . 2.900 3.413 3.335 3.499 0.599 9 14 "[***-. +**** *****2]" 2 stop_ save_
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