NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
507221 | 2ecy | 11164 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ecy 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 27 _Distance_constraint_stats_list.Viol_count 262 _Distance_constraint_stats_list.Viol_total 8.437 _Distance_constraint_stats_list.Viol_max 0.005 _Distance_constraint_stats_list.Viol_rms 0.0011 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0008 _Distance_constraint_stats_list.Viol_average_violations_only 0.0016 _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 18 CYS 0.045 0.003 10 0 "[ . 1 . 2]" 1 21 CYS 0.077 0.005 16 0 "[ . 1 . 2]" 1 33 CYS 0.057 0.004 7 0 "[ . 1 . 2]" 1 35 HIS 0.007 0.001 12 0 "[ . 1 . 2]" 1 38 CYS 0.059 0.004 16 0 "[ . 1 . 2]" 1 41 CYS 0.089 0.004 16 0 "[ . 1 . 2]" 1 53 CYS 0.076 0.004 12 0 "[ . 1 . 2]" 1 56 CYS 0.127 0.005 8 0 "[ . 1 . 2]" 2 1 ZN 0.188 0.005 16 0 "[ . 1 . 2]" 3 1 ZN 0.118 0.005 8 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 18 CYS SG 2 1 ZN ZN . 2.190 2.350 2.351 2.350 2.353 0.003 10 0 "[ . 1 . 2]" 1 2 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.255 3.247 3.282 0.003 19 0 "[ . 1 . 2]" 1 3 1 21 CYS SG 2 1 ZN ZN . 2.190 2.350 2.188 2.185 2.190 0.005 16 0 "[ . 1 . 2]" 1 4 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.512 3.509 3.514 0.004 16 0 "[ . 1 . 2]" 1 5 1 38 CYS SG 2 1 ZN ZN . 2.190 2.350 2.348 2.290 2.353 0.003 17 0 "[ . 1 . 2]" 1 6 1 38 CYS CB 2 1 ZN ZN . 3.250 3.510 3.463 3.296 3.511 0.001 18 0 "[ . 1 . 2]" 1 7 1 41 CYS SG 2 1 ZN ZN . 2.190 2.350 2.351 2.349 2.352 0.002 17 0 "[ . 1 . 2]" 1 8 1 41 CYS CB 2 1 ZN ZN . 3.250 3.510 3.248 3.246 3.250 0.004 7 0 "[ . 1 . 2]" 1 9 1 18 CYS SG 1 21 CYS SG . 3.560 3.960 3.732 3.669 3.771 . 0 0 "[ . 1 . 2]" 1 10 1 18 CYS SG 1 38 CYS SG . 3.560 3.960 3.877 3.812 3.962 0.002 19 0 "[ . 1 . 2]" 1 11 1 18 CYS SG 1 41 CYS SG . 3.560 3.960 3.806 3.770 3.844 . 0 0 "[ . 1 . 2]" 1 12 1 21 CYS SG 1 38 CYS SG . 3.560 3.960 3.662 3.609 3.772 . 0 0 "[ . 1 . 2]" 1 13 1 21 CYS SG 1 41 CYS SG . 3.560 3.960 3.933 3.839 3.962 0.002 6 0 "[ . 1 . 2]" 1 14 1 38 CYS SG 1 41 CYS SG . 3.560 3.960 3.558 3.556 3.560 0.004 16 0 "[ . 1 . 2]" 1 15 1 33 CYS SG 3 1 ZN ZN . 2.190 2.350 2.349 2.332 2.354 0.004 7 0 "[ . 1 . 2]" 1 16 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.480 3.362 3.513 0.003 4 0 "[ . 1 . 2]" 1 17 1 35 HIS ND1 3 1 ZN ZN . . 2.100 2.055 2.007 2.100 0.000 15 0 "[ . 1 . 2]" 1 18 1 53 CYS SG 3 1 ZN ZN . 2.190 2.350 2.347 2.329 2.352 0.002 20 0 "[ . 1 . 2]" 1 19 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.482 3.359 3.512 0.002 2 0 "[ . 1 . 2]" 1 20 1 56 CYS SG 3 1 ZN ZN . 2.190 2.350 2.188 2.186 2.191 0.004 11 0 "[ . 1 . 2]" 1 21 1 56 CYS CB 3 1 ZN ZN . 3.250 3.510 3.512 3.509 3.515 0.005 8 0 "[ . 1 . 2]" 1 22 1 33 CYS SG 1 35 HIS ND1 . 3.320 3.720 3.320 3.319 3.326 0.001 12 0 "[ . 1 . 2]" 1 23 1 33 CYS SG 1 53 CYS SG . 3.560 3.960 3.559 3.558 3.560 0.002 15 0 "[ . 1 . 2]" 1 24 1 33 CYS SG 1 56 CYS SG . 3.560 3.960 3.867 3.786 3.961 0.001 19 0 "[ . 1 . 2]" 1 25 1 35 HIS ND1 1 53 CYS SG . 3.320 3.720 3.494 3.350 3.564 . 0 0 "[ . 1 . 2]" 1 26 1 35 HIS ND1 1 56 CYS SG . 3.320 3.720 3.550 3.487 3.590 . 0 0 "[ . 1 . 2]" 1 27 1 53 CYS SG 1 56 CYS SG . 3.560 3.960 3.963 3.960 3.964 0.004 12 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 840 _Distance_constraint_stats_list.Viol_count 634 _Distance_constraint_stats_list.Viol_total 48.643 _Distance_constraint_stats_list.Viol_max 0.041 _Distance_constraint_stats_list.Viol_rms 0.0015 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0038 _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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 THR 0.026 0.012 7 0 "[ . 1 . 2]" 1 12 VAL 0.031 0.013 5 0 "[ . 1 . 2]" 1 13 GLU 0.048 0.014 11 0 "[ . 1 . 2]" 1 14 ASP 0.000 0.000 5 0 "[ . 1 . 2]" 1 15 LYS 0.012 0.012 16 0 "[ . 1 . 2]" 1 16 TYR 0.089 0.018 17 0 "[ . 1 . 2]" 1 17 LYS 0.043 0.022 19 0 "[ . 1 . 2]" 1 18 CYS 0.033 0.008 19 0 "[ . 1 . 2]" 1 19 GLU 0.128 0.008 19 0 "[ . 1 . 2]" 1 20 LYS 0.367 0.035 10 0 "[ . 1 . 2]" 1 21 CYS 0.096 0.006 15 0 "[ . 1 . 2]" 1 22 HIS 0.120 0.008 19 0 "[ . 1 . 2]" 1 23 LEU 0.534 0.041 16 0 "[ . 1 . 2]" 1 24 VAL 0.051 0.012 13 0 "[ . 1 . 2]" 1 25 LEU 0.150 0.012 13 0 "[ . 1 . 2]" 1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 PRO 0.111 0.018 17 0 "[ . 1 . 2]" 1 29 LYS 0.079 0.007 19 0 "[ . 1 . 2]" 1 30 GLN 0.005 0.002 19 0 "[ . 1 . 2]" 1 31 THR 0.049 0.005 13 0 "[ . 1 . 2]" 1 32 GLU 0.015 0.002 12 0 "[ . 1 . 2]" 1 33 CYS 0.004 0.002 14 0 "[ . 1 . 2]" 1 34 GLY 0.021 0.002 12 0 "[ . 1 . 2]" 1 35 HIS 0.003 0.001 18 0 "[ . 1 . 2]" 1 36 ARG 0.032 0.004 11 0 "[ . 1 . 2]" 1 37 PHE 0.135 0.012 15 0 "[ . 1 . 2]" 1 38 CYS 0.083 0.011 19 0 "[ . 1 . 2]" 1 39 GLU 0.030 0.006 17 0 "[ . 1 . 2]" 1 40 SER 0.023 0.003 19 0 "[ . 1 . 2]" 1 41 CYS 0.311 0.035 10 0 "[ . 1 . 2]" 1 42 MET 0.092 0.007 19 0 "[ . 1 . 2]" 1 43 ALA 0.011 0.004 12 0 "[ . 1 . 2]" 1 44 ALA 0.010 0.004 12 0 "[ . 1 . 2]" 1 45 LEU 0.037 0.004 19 0 "[ . 1 . 2]" 1 46 LEU 0.100 0.009 6 0 "[ . 1 . 2]" 1 47 SER 0.009 0.001 9 0 "[ . 1 . 2]" 1 48 SER 0.037 0.009 6 0 "[ . 1 . 2]" 1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 SER 0.044 0.008 6 0 "[ . 1 . 2]" 1 51 PRO 0.124 0.008 6 0 "[ . 1 . 2]" 1 52 LYS 0.143 0.023 18 0 "[ . 1 . 2]" 1 53 CYS 0.213 0.014 12 0 "[ . 1 . 2]" 1 54 THR 0.077 0.012 15 0 "[ . 1 . 2]" 1 55 ALA 0.006 0.002 12 0 "[ . 1 . 2]" 1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 GLN 0.112 0.023 18 0 "[ . 1 . 2]" 1 58 GLU 0.031 0.028 14 0 "[ . 1 . 2]" 1 59 SER 0.037 0.011 6 0 "[ . 1 . 2]" 1 60 ILE 0.379 0.038 9 0 "[ . 1 . 2]" 1 61 VAL 0.032 0.003 6 0 "[ . 1 . 2]" 1 62 LYS 0.022 0.002 15 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LYS 0.007 0.003 6 0 "[ . 1 . 2]" 1 65 VAL 0.015 0.004 19 0 "[ . 1 . 2]" 1 66 PHE 0.000 0.000 16 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 13 GLU H 1 14 ASP H . . 4.490 4.226 3.497 4.490 . 0 0 "[ . 1 . 2]" 2 2 1 12 VAL H 1 13 GLU H . . 4.440 3.987 2.222 4.410 . 0 0 "[ . 1 . 2]" 2 3 1 12 VAL HA 1 13 GLU H . . 2.920 2.235 2.141 2.917 . 0 0 "[ . 1 . 2]" 2 4 1 13 GLU H 1 13 GLU HB3 . . 3.760 3.552 2.530 3.774 0.014 11 0 "[ . 1 . 2]" 2 5 1 61 VAL H 1 61 VAL HB . . 3.110 2.743 2.576 2.898 . 0 0 "[ . 1 . 2]" 2 6 1 61 VAL H 1 62 LYS H . . 4.330 4.216 3.987 4.299 . 0 0 "[ . 1 . 2]" 2 7 1 52 LYS H 1 59 SER HA . . 4.580 4.563 4.531 4.589 0.009 20 0 "[ . 1 . 2]" 2 8 1 52 LYS H 1 53 CYS H . . 4.650 2.561 2.540 2.596 . 0 0 "[ . 1 . 2]" 2 9 1 52 LYS H 1 60 ILE HG13 . . 4.070 3.181 3.044 3.270 . 0 0 "[ . 1 . 2]" 2 10 1 30 GLN HE22 1 34 GLY HA2 . . 4.830 4.063 3.417 4.831 0.001 19 0 "[ . 1 . 2]" 2 11 1 30 GLN HE21 1 34 GLY HA2 . . 4.830 2.649 1.928 3.549 . 0 0 "[ . 1 . 2]" 2 12 1 53 CYS H 1 58 GLU H . . 3.780 3.401 3.271 3.519 . 0 0 "[ . 1 . 2]" 2 13 1 53 CYS H 1 53 CYS HB3 . . 3.340 3.287 3.280 3.301 . 0 0 "[ . 1 . 2]" 2 14 1 52 LYS HB3 1 53 CYS H . . 4.010 3.277 3.121 3.346 . 0 0 "[ . 1 . 2]" 2 15 1 59 SER HA 1 60 ILE H . . 2.780 2.154 2.138 2.184 . 0 0 "[ . 1 . 2]" 2 16 1 60 ILE H 1 60 ILE HB . . 3.250 3.022 2.915 3.142 . 0 0 "[ . 1 . 2]" 2 17 1 60 ILE H 1 60 ILE HG13 . . 3.310 2.173 1.900 2.315 . 0 0 "[ . 1 . 2]" 2 18 1 8 PHE HA 1 9 VAL H . . 2.960 2.339 2.140 2.897 . 0 0 "[ . 1 . 2]" 2 19 1 9 VAL H 1 9 VAL HB . . 3.570 2.938 2.216 3.527 . 0 0 "[ . 1 . 2]" 2 20 1 9 VAL H 1 10 LYS H . . 4.820 4.177 2.176 4.615 . 0 0 "[ . 1 . 2]" 2 21 1 31 THR MG 1 32 GLU H . . 4.450 3.584 3.537 4.075 . 0 0 "[ . 1 . 2]" 2 22 1 30 GLN H 1 66 PHE H . . 4.260 3.858 3.047 4.225 . 0 0 "[ . 1 . 2]" 2 23 1 29 LYS HA 1 30 GLN H . . 3.020 2.566 2.266 2.645 . 0 0 "[ . 1 . 2]" 2 24 1 30 GLN H 1 30 GLN HG3 . . 4.490 3.738 3.421 3.976 . 0 0 "[ . 1 . 2]" 2 25 1 30 GLN H 1 30 GLN HB3 . . 3.540 3.220 3.060 3.344 . 0 0 "[ . 1 . 2]" 2 26 1 30 GLN H 1 36 ARG HG3 . . 5.090 4.281 3.764 4.819 . 0 0 "[ . 1 . 2]" 2 27 1 30 GLN H 1 31 THR MG . . 5.390 5.098 4.791 5.194 . 0 0 "[ . 1 . 2]" 2 28 1 24 VAL H 1 24 VAL HB . . 3.080 2.392 2.307 2.519 . 0 0 "[ . 1 . 2]" 2 29 1 11 THR HA 1 12 VAL H . . 2.830 2.388 2.166 2.643 . 0 0 "[ . 1 . 2]" 2 30 1 12 VAL H 1 12 VAL HB . . 3.370 2.922 2.281 3.314 . 0 0 "[ . 1 . 2]" 2 31 1 11 THR MG 1 12 VAL H . . 4.030 2.452 1.887 4.031 0.001 7 0 "[ . 1 . 2]" 2 32 1 33 CYS HB3 1 34 GLY H . . 4.330 3.927 3.885 4.083 . 0 0 "[ . 1 . 2]" 2 33 1 31 THR HG1 1 34 GLY H . . 4.420 2.492 2.063 3.098 . 0 0 "[ . 1 . 2]" 2 34 1 32 GLU HA 1 34 GLY H . . 4.290 4.268 4.060 4.292 0.002 12 0 "[ . 1 . 2]" 2 35 1 34 GLY H 1 34 GLY HA2 . . 2.950 2.545 2.488 2.569 . 0 0 "[ . 1 . 2]" 2 36 1 13 GLU HA 1 14 ASP H . . 3.040 2.227 2.139 2.785 . 0 0 "[ . 1 . 2]" 2 37 1 19 GLU H 1 38 CYS H . . 4.620 4.302 4.198 4.377 . 0 0 "[ . 1 . 2]" 2 38 1 37 PHE QD 1 38 CYS H . . 4.590 3.329 3.246 3.520 . 0 0 "[ . 1 . 2]" 2 39 1 18 CYS HA 1 38 CYS H . . 4.210 3.597 3.497 3.639 . 0 0 "[ . 1 . 2]" 2 40 1 38 CYS H 1 38 CYS HB3 . . 3.690 2.684 2.598 2.743 . 0 0 "[ . 1 . 2]" 2 41 1 25 LEU MD2 1 38 CYS H . . 4.200 4.201 4.194 4.211 0.011 19 0 "[ . 1 . 2]" 2 42 1 13 GLU HB3 1 14 ASP H . . 4.530 3.636 1.934 4.311 . 0 0 "[ . 1 . 2]" 2 43 1 31 THR HG1 1 35 HIS H . . 4.150 3.603 3.362 4.116 . 0 0 "[ . 1 . 2]" 2 44 1 31 THR MG 1 35 HIS H . . 5.000 4.664 4.407 4.778 . 0 0 "[ . 1 . 2]" 2 45 1 31 THR H 1 35 HIS H . . 5.240 4.808 4.606 5.008 . 0 0 "[ . 1 . 2]" 2 46 1 65 VAL H 1 65 VAL HB . . 3.560 2.249 2.157 2.699 . 0 0 "[ . 1 . 2]" 2 47 1 63 ASP HA 1 65 VAL H . . 4.730 3.872 3.634 4.177 . 0 0 "[ . 1 . 2]" 2 48 1 65 VAL H 1 66 PHE H . . 4.880 4.558 4.473 4.590 . 0 0 "[ . 1 . 2]" 2 49 1 45 LEU H 1 45 LEU HB3 . . 3.920 3.584 3.578 3.587 . 0 0 "[ . 1 . 2]" 2 50 1 19 GLU HB3 1 20 LYS H . . 4.460 4.282 4.234 4.335 . 0 0 "[ . 1 . 2]" 2 51 1 20 LYS H 1 37 PHE QE . . 4.220 3.998 3.856 4.199 . 0 0 "[ . 1 . 2]" 2 52 1 20 LYS H 1 37 PHE QD . . 3.860 3.817 3.690 3.864 0.004 15 0 "[ . 1 . 2]" 2 53 1 18 CYS HA 1 20 LYS H . . 4.300 3.832 3.805 3.873 . 0 0 "[ . 1 . 2]" 2 54 1 20 LYS H 1 20 LYS HB3 . . 3.580 3.313 3.267 3.399 . 0 0 "[ . 1 . 2]" 2 55 1 20 LYS H 1 20 LYS HG3 . . 4.640 4.304 4.241 4.343 . 0 0 "[ . 1 . 2]" 2 56 1 53 CYS HA 1 58 GLU H . . 4.990 4.264 4.178 4.321 . 0 0 "[ . 1 . 2]" 2 57 1 53 CYS HB3 1 58 GLU H . . 3.390 1.942 1.891 2.077 . 0 0 "[ . 1 . 2]" 2 58 1 58 GLU H 1 58 GLU HB3 . . 3.610 3.162 2.516 3.638 0.028 14 0 "[ . 1 . 2]" 2 59 1 58 GLU H 1 59 SER H . . 4.120 2.490 2.240 2.930 . 0 0 "[ . 1 . 2]" 2 60 1 44 ALA H 1 45 LEU H . . 3.110 2.685 2.559 2.863 . 0 0 "[ . 1 . 2]" 2 61 1 43 ALA H 1 44 ALA H . . 3.090 2.649 2.580 2.713 . 0 0 "[ . 1 . 2]" 2 62 1 40 SER HA 1 44 ALA H . . 4.560 4.397 4.181 4.553 . 0 0 "[ . 1 . 2]" 2 63 1 44 ALA H 1 45 LEU HG . . 4.480 4.328 4.215 4.475 . 0 0 "[ . 1 . 2]" 2 64 1 44 ALA H 1 44 ALA MB . . 2.480 2.129 2.029 2.258 . 0 0 "[ . 1 . 2]" 2 65 1 44 ALA H 1 45 LEU MD2 . . 5.500 5.302 5.103 5.501 0.001 6 0 "[ . 1 . 2]" 2 66 1 35 HIS HB3 1 36 ARG H . . 3.530 2.141 1.945 2.493 . 0 0 "[ . 1 . 2]" 2 67 1 19 GLU HG3 1 36 ARG H . . 4.100 2.954 2.631 3.303 . 0 0 "[ . 1 . 2]" 2 68 1 36 ARG H 1 36 ARG HG3 . . 3.750 3.390 3.158 3.535 . 0 0 "[ . 1 . 2]" 2 69 1 36 ARG H 1 36 ARG HB3 . . 3.970 3.823 3.726 3.899 . 0 0 "[ . 1 . 2]" 2 70 1 16 TYR QD 1 17 LYS H . . 4.250 4.010 3.865 4.143 . 0 0 "[ . 1 . 2]" 2 71 1 17 LYS H 1 18 CYS H . . 4.710 4.275 4.198 4.300 . 0 0 "[ . 1 . 2]" 2 72 1 16 TYR HA 1 17 LYS H . . 2.930 2.535 2.442 2.716 . 0 0 "[ . 1 . 2]" 2 73 1 16 TYR HB3 1 17 LYS H . . 3.590 2.210 1.912 2.401 . 0 0 "[ . 1 . 2]" 2 74 1 17 LYS H 1 17 LYS HB3 . . 3.290 2.796 2.738 2.904 . 0 0 "[ . 1 . 2]" 2 75 1 43 ALA H 1 45 LEU H . . 4.940 4.643 4.454 4.824 . 0 0 "[ . 1 . 2]" 2 76 1 40 SER HA 1 43 ALA H . . 3.810 3.668 3.564 3.747 . 0 0 "[ . 1 . 2]" 2 77 1 42 MET HB3 1 43 ALA H . . 3.420 2.366 2.277 2.485 . 0 0 "[ . 1 . 2]" 2 78 1 16 TYR H 1 16 TYR HB3 . . 3.820 3.708 3.591 3.783 . 0 0 "[ . 1 . 2]" 2 79 1 15 LYS HA 1 16 TYR H . . 2.960 2.587 2.267 2.797 . 0 0 "[ . 1 . 2]" 2 80 1 16 TYR H 1 24 VAL MG1 . . 4.620 3.708 3.310 4.020 . 0 0 "[ . 1 . 2]" 2 81 1 42 MET HG3 1 43 ALA H . . 4.420 3.231 2.984 3.489 . 0 0 "[ . 1 . 2]" 2 82 1 43 ALA H 1 46 LEU MD1 . . 4.800 4.010 3.848 4.289 . 0 0 "[ . 1 . 2]" 2 83 1 15 LYS H 1 16 TYR H . . 4.510 4.371 4.259 4.522 0.012 16 0 "[ . 1 . 2]" 2 84 1 14 ASP H 1 15 LYS H . . 4.340 4.265 4.043 4.340 0.000 5 0 "[ . 1 . 2]" 2 85 1 14 ASP HA 1 15 LYS H . . 2.850 2.496 2.139 2.843 . 0 0 "[ . 1 . 2]" 2 86 1 15 LYS H 1 15 LYS HB3 . . 4.080 3.670 2.695 4.022 . 0 0 "[ . 1 . 2]" 2 87 1 63 ASP H 1 64 LYS H . . 3.550 2.722 2.583 2.865 . 0 0 "[ . 1 . 2]" 2 88 1 64 LYS H 1 65 VAL H . . 3.390 2.427 2.178 2.750 . 0 0 "[ . 1 . 2]" 2 89 1 63 ASP HB3 1 64 LYS H . . 4.610 3.083 2.495 4.088 . 0 0 "[ . 1 . 2]" 2 90 1 64 LYS H 1 64 LYS HB3 . . 3.850 3.638 3.591 3.685 . 0 0 "[ . 1 . 2]" 2 91 1 64 LYS H 1 64 LYS HG3 . . 4.160 3.361 2.790 3.641 . 0 0 "[ . 1 . 2]" 2 92 1 61 VAL MG1 1 64 LYS H . . 3.610 1.959 1.880 2.109 . 0 0 "[ . 1 . 2]" 2 93 1 39 GLU H 1 39 GLU HG3 . . 3.860 2.833 2.512 3.173 . 0 0 "[ . 1 . 2]" 2 94 1 38 CYS H 1 39 GLU H . . 4.740 4.560 4.520 4.578 . 0 0 "[ . 1 . 2]" 2 95 1 38 CYS HB3 1 42 MET H . . 5.500 5.389 5.322 5.435 . 0 0 "[ . 1 . 2]" 2 96 1 38 CYS H 1 42 MET H . . 4.550 3.611 3.455 3.790 . 0 0 "[ . 1 . 2]" 2 97 1 41 CYS H 1 42 MET H . . 3.310 3.086 3.012 3.120 . 0 0 "[ . 1 . 2]" 2 98 1 40 SER H 1 42 MET H . . 4.330 4.227 3.926 4.333 0.003 7 0 "[ . 1 . 2]" 2 99 1 42 MET H 1 43 ALA H . . 3.250 2.931 2.851 2.981 . 0 0 "[ . 1 . 2]" 2 100 1 42 MET H 1 44 ALA H . . 4.340 3.907 3.776 4.007 . 0 0 "[ . 1 . 2]" 2 101 1 39 GLU HA 1 42 MET H . . 4.240 4.162 4.108 4.240 . 0 0 "[ . 1 . 2]" 2 102 1 37 PHE HB3 1 42 MET H . . 3.740 3.162 3.049 3.323 . 0 0 "[ . 1 . 2]" 2 103 1 41 CYS HB3 1 42 MET H . . 3.780 3.493 3.378 3.685 . 0 0 "[ . 1 . 2]" 2 104 1 42 MET H 1 42 MET HG3 . . 4.550 4.377 4.345 4.403 . 0 0 "[ . 1 . 2]" 2 105 1 42 MET H 1 42 MET HB3 . . 3.140 2.430 2.377 2.453 . 0 0 "[ . 1 . 2]" 2 106 1 42 MET H 1 42 MET ME . . 4.190 3.607 3.536 3.752 . 0 0 "[ . 1 . 2]" 2 107 1 21 CYS H 1 37 PHE QE . . 5.500 5.154 5.054 5.504 0.004 19 0 "[ . 1 . 2]" 2 108 1 21 CYS H 1 22 HIS H . . 2.980 2.327 2.292 2.438 . 0 0 "[ . 1 . 2]" 2 109 1 21 CYS H 1 37 PHE QD . . 4.560 4.521 4.435 4.560 . 0 0 "[ . 1 . 2]" 2 110 1 18 CYS HA 1 21 CYS H . . 5.180 5.113 5.057 5.185 0.005 16 0 "[ . 1 . 2]" 2 111 1 18 CYS HB3 1 21 CYS H . . 3.590 2.999 2.928 3.121 . 0 0 "[ . 1 . 2]" 2 112 1 21 CYS H 1 38 CYS HB3 . . 5.200 5.147 5.045 5.206 0.006 15 0 "[ . 1 . 2]" 2 113 1 20 LYS HB3 1 21 CYS H . . 3.090 2.248 2.158 2.331 . 0 0 "[ . 1 . 2]" 2 114 1 21 CYS H 1 21 CYS HB3 . . 3.550 2.992 2.903 3.032 . 0 0 "[ . 1 . 2]" 2 115 1 20 LYS HD3 1 21 CYS H . . 5.010 4.897 4.763 5.001 . 0 0 "[ . 1 . 2]" 2 116 1 63 ASP H 1 63 ASP HB3 . . 3.720 3.106 2.127 3.593 . 0 0 "[ . 1 . 2]" 2 117 1 62 LYS HG3 1 63 ASP H . . 4.820 2.313 1.902 2.750 . 0 0 "[ . 1 . 2]" 2 118 1 29 LYS HA 1 66 PHE H . . 4.360 3.493 3.107 4.227 . 0 0 "[ . 1 . 2]" 2 119 1 65 VAL HB 1 66 PHE H . . 4.610 4.232 3.584 4.409 . 0 0 "[ . 1 . 2]" 2 120 1 48 SER H 1 51 PRO HA . . 5.000 4.620 4.421 4.869 . 0 0 "[ . 1 . 2]" 2 121 1 46 LEU HA 1 48 SER H . . 3.550 3.512 3.445 3.559 0.009 6 0 "[ . 1 . 2]" 2 122 1 48 SER H 1 48 SER HB3 . . 3.360 2.595 2.491 2.678 . 0 0 "[ . 1 . 2]" 2 123 1 46 LEU H 1 48 SER H . . 4.850 4.357 4.043 4.507 . 0 0 "[ . 1 . 2]" 2 124 1 48 SER H 1 51 PRO HB3 . . 4.140 3.544 3.413 3.703 . 0 0 "[ . 1 . 2]" 2 125 1 45 LEU MD2 1 48 SER H . . 5.500 5.478 5.290 5.502 0.002 4 0 "[ . 1 . 2]" 2 126 1 46 LEU MD2 1 48 SER H . . 5.500 5.232 5.118 5.343 . 0 0 "[ . 1 . 2]" 2 127 1 10 LYS HA 1 11 THR H . . 3.530 2.590 2.140 3.527 . 0 0 "[ . 1 . 2]" 2 128 1 42 MET HA 1 46 LEU H . . 4.300 4.134 4.058 4.282 . 0 0 "[ . 1 . 2]" 2 129 1 45 LEU HG 1 46 LEU H . . 4.500 4.179 3.996 4.315 . 0 0 "[ . 1 . 2]" 2 130 1 45 LEU MD1 1 46 LEU H . . 4.890 4.217 4.072 4.389 . 0 0 "[ . 1 . 2]" 2 131 1 44 ALA H 1 46 LEU H . . 4.570 4.149 3.976 4.302 . 0 0 "[ . 1 . 2]" 2 132 1 46 LEU H 1 46 LEU HB3 . . 3.610 3.585 3.581 3.589 . 0 0 "[ . 1 . 2]" 2 133 1 45 LEU HB3 1 46 LEU H . . 3.950 3.494 3.286 3.645 . 0 0 "[ . 1 . 2]" 2 134 1 46 LEU H 1 46 LEU MD1 . . 3.930 3.453 3.291 3.601 . 0 0 "[ . 1 . 2]" 2 135 1 19 GLU H 1 19 GLU HG3 . . 4.580 4.264 4.151 4.361 . 0 0 "[ . 1 . 2]" 2 136 1 18 CYS HB3 1 19 GLU H . . 4.820 4.119 4.103 4.148 . 0 0 "[ . 1 . 2]" 2 137 1 36 ARG HA 1 37 PHE H . . 3.050 2.342 2.283 2.425 . 0 0 "[ . 1 . 2]" 2 138 1 36 ARG HB3 1 37 PHE H . . 3.860 2.583 2.375 2.745 . 0 0 "[ . 1 . 2]" 2 139 1 37 PHE H 1 37 PHE QD . . 3.790 3.269 3.143 3.373 . 0 0 "[ . 1 . 2]" 2 140 1 37 PHE H 1 37 PHE HB3 . . 3.980 3.815 3.765 3.867 . 0 0 "[ . 1 . 2]" 2 141 1 25 LEU MD1 1 37 PHE H . . 4.900 3.879 3.743 4.005 . 0 0 "[ . 1 . 2]" 2 142 1 53 CYS HB3 1 56 CYS H . . 4.720 3.482 3.419 3.591 . 0 0 "[ . 1 . 2]" 2 143 1 55 ALA H 1 57 GLN H . . 4.400 3.928 3.782 4.076 . 0 0 "[ . 1 . 2]" 2 144 1 53 CYS H 1 57 GLN H . . 4.670 4.002 3.943 4.099 . 0 0 "[ . 1 . 2]" 2 145 1 57 GLN H 1 57 GLN HA . . 2.860 2.304 2.298 2.306 . 0 0 "[ . 1 . 2]" 2 146 1 55 ALA MB 1 57 GLN H . . 4.360 3.503 3.483 3.547 . 0 0 "[ . 1 . 2]" 2 147 1 40 SER H 1 41 CYS H . . 3.390 3.359 3.277 3.391 0.001 20 0 "[ . 1 . 2]" 2 148 1 39 GLU H 1 40 SER H . . 3.420 3.077 2.965 3.137 . 0 0 "[ . 1 . 2]" 2 149 1 39 GLU HB3 1 40 SER H . . 3.450 2.824 2.644 3.152 . 0 0 "[ . 1 . 2]" 2 150 1 40 SER H 1 43 ALA MB . . 4.810 4.728 4.643 4.812 0.002 12 0 "[ . 1 . 2]" 2 151 1 18 CYS H 1 22 HIS H . . 4.400 4.352 4.333 4.408 0.008 19 0 "[ . 1 . 2]" 2 152 1 22 HIS H 1 23 LEU H . . 3.420 2.650 2.599 2.665 . 0 0 "[ . 1 . 2]" 2 153 1 22 HIS H 1 22 HIS HA . . 2.680 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 2 154 1 18 CYS HB3 1 22 HIS H . . 3.260 2.956 2.910 2.983 . 0 0 "[ . 1 . 2]" 2 155 1 21 CYS HB3 1 22 HIS H . . 4.600 4.460 4.421 4.470 . 0 0 "[ . 1 . 2]" 2 156 1 17 LYS HG3 1 22 HIS H . . 4.820 4.629 4.595 4.656 . 0 0 "[ . 1 . 2]" 2 157 1 20 LYS H 1 22 HIS H . . 3.900 2.446 2.403 2.476 . 0 0 "[ . 1 . 2]" 2 158 1 22 HIS H 1 22 HIS HD2 . . 3.990 2.618 2.573 2.685 . 0 0 "[ . 1 . 2]" 2 159 1 18 CYS HA 1 22 HIS H . . 5.110 4.920 4.898 4.955 . 0 0 "[ . 1 . 2]" 2 160 1 24 VAL MG2 1 25 LEU H . . 4.110 3.994 3.858 4.096 . 0 0 "[ . 1 . 2]" 2 161 1 25 LEU H 1 25 LEU HG . . 3.500 1.926 1.899 2.089 . 0 0 "[ . 1 . 2]" 2 162 1 25 LEU H 1 25 LEU HB3 . . 3.940 3.700 3.681 3.776 . 0 0 "[ . 1 . 2]" 2 163 1 46 LEU MD2 1 62 LYS H . . 4.850 2.416 2.118 2.719 . 0 0 "[ . 1 . 2]" 2 164 1 61 VAL HA 1 62 LYS H . . 3.040 2.150 2.140 2.184 . 0 0 "[ . 1 . 2]" 2 165 1 61 VAL MG1 1 62 LYS H . . 3.780 2.524 2.190 2.795 . 0 0 "[ . 1 . 2]" 2 166 1 30 GLN HG3 1 31 THR H . . 4.200 3.944 3.651 4.179 . 0 0 "[ . 1 . 2]" 2 167 1 31 THR H 1 34 GLY H . . 4.090 3.660 2.972 3.960 . 0 0 "[ . 1 . 2]" 2 168 1 31 THR H 1 31 THR HG1 . . 4.980 2.431 2.198 2.927 . 0 0 "[ . 1 . 2]" 2 169 1 30 GLN HA 1 31 THR H . . 3.140 2.169 2.138 2.559 . 0 0 "[ . 1 . 2]" 2 170 1 30 GLN HB3 1 31 THR H . . 4.160 3.886 2.422 4.160 0.000 11 0 "[ . 1 . 2]" 2 171 1 9 VAL HA 1 10 LYS H . . 3.040 2.310 2.139 3.014 . 0 0 "[ . 1 . 2]" 2 172 1 9 VAL HB 1 10 LYS H . . 4.550 4.192 3.817 4.540 . 0 0 "[ . 1 . 2]" 2 173 1 10 LYS H 1 10 LYS HB3 . . 4.010 3.335 2.568 3.946 . 0 0 "[ . 1 . 2]" 2 174 1 54 THR HA 1 57 GLN HE21 . . 4.230 2.738 2.014 3.858 . 0 0 "[ . 1 . 2]" 2 175 1 54 THR H 1 55 ALA H . . 4.400 3.034 2.997 3.077 . 0 0 "[ . 1 . 2]" 2 176 1 55 ALA H 1 56 CYS H . . 3.890 3.220 3.167 3.302 . 0 0 "[ . 1 . 2]" 2 177 1 18 CYS H 1 22 HIS HA . . 4.650 3.648 3.620 3.785 . 0 0 "[ . 1 . 2]" 2 178 1 57 GLN H 1 57 GLN HE21 . . 4.790 4.217 3.821 4.741 . 0 0 "[ . 1 . 2]" 2 179 1 46 LEU H 1 47 SER H . . 3.160 2.765 2.685 2.824 . 0 0 "[ . 1 . 2]" 2 180 1 47 SER H 1 47 SER HB3 . . 3.240 2.892 2.547 3.200 . 0 0 "[ . 1 . 2]" 2 181 1 47 SER H 1 51 PRO HB3 . . 4.800 4.527 4.407 4.725 . 0 0 "[ . 1 . 2]" 2 182 1 46 LEU HB3 1 47 SER H . . 4.080 3.841 3.688 3.945 . 0 0 "[ . 1 . 2]" 2 183 1 46 LEU MD1 1 47 SER H . . 4.920 4.552 4.314 4.719 . 0 0 "[ . 1 . 2]" 2 184 1 46 LEU MD2 1 47 SER H . . 4.960 4.753 4.666 4.834 . 0 0 "[ . 1 . 2]" 2 185 1 33 CYS H 1 34 GLY HA3 . . 4.840 4.679 4.594 4.723 . 0 0 "[ . 1 . 2]" 2 186 1 32 GLU H 1 33 CYS H . . 3.670 2.508 2.427 2.618 . 0 0 "[ . 1 . 2]" 2 187 1 31 THR HG1 1 33 CYS H . . 3.760 2.331 1.906 2.903 . 0 0 "[ . 1 . 2]" 2 188 1 33 CYS H 1 33 CYS HB3 . . 3.430 2.880 2.829 2.959 . 0 0 "[ . 1 . 2]" 2 189 1 31 THR MG 1 33 CYS H . . 4.250 4.021 3.951 4.074 . 0 0 "[ . 1 . 2]" 2 190 1 52 LYS H 1 60 ILE H . . 4.710 4.413 4.080 4.661 . 0 0 "[ . 1 . 2]" 2 191 1 60 ILE H 1 61 VAL H . . 5.070 4.182 3.921 4.447 . 0 0 "[ . 1 . 2]" 2 192 1 37 PHE QE 1 54 THR H . . 4.700 3.580 3.460 3.650 . 0 0 "[ . 1 . 2]" 2 193 1 51 PRO HG3 1 60 ILE H . . 5.230 4.445 4.354 4.529 . 0 0 "[ . 1 . 2]" 2 194 1 29 LYS H 1 30 GLN H . . 4.450 3.209 3.025 3.660 . 0 0 "[ . 1 . 2]" 2 195 1 57 GLN HA 1 57 GLN HE21 . . 4.710 3.216 2.493 4.602 . 0 0 "[ . 1 . 2]" 2 196 1 18 CYS H 1 23 LEU H . . 4.090 2.971 2.934 3.049 . 0 0 "[ . 1 . 2]" 2 197 1 15 LYS H 1 16 TYR QD . . 5.500 5.218 4.700 5.499 . 0 0 "[ . 1 . 2]" 2 198 1 16 TYR H 1 17 LYS H . . 4.760 4.486 4.384 4.605 . 0 0 "[ . 1 . 2]" 2 199 1 17 LYS H 1 24 VAL HA . . 5.140 4.558 4.418 4.660 . 0 0 "[ . 1 . 2]" 2 200 1 17 LYS H 1 25 LEU H . . 4.300 4.117 3.938 4.200 . 0 0 "[ . 1 . 2]" 2 201 1 17 LYS H 1 17 LYS HG3 . . 5.210 5.086 5.050 5.139 . 0 0 "[ . 1 . 2]" 2 202 1 19 GLU H 1 20 LYS H . . 3.760 2.903 2.874 2.949 . 0 0 "[ . 1 . 2]" 2 203 1 33 CYS H 1 35 HIS H . . 4.470 4.262 4.146 4.360 . 0 0 "[ . 1 . 2]" 2 204 1 21 CYS H 1 23 LEU H . . 4.230 3.441 3.393 3.531 . 0 0 "[ . 1 . 2]" 2 205 1 19 GLU H 1 21 CYS H . . 5.130 4.907 4.848 4.981 . 0 0 "[ . 1 . 2]" 2 206 1 20 LYS H 1 21 CYS H . . 3.110 2.376 2.319 2.474 . 0 0 "[ . 1 . 2]" 2 207 1 24 VAL H 1 25 LEU H . . 5.170 4.431 4.368 4.481 . 0 0 "[ . 1 . 2]" 2 208 1 18 CYS H 1 25 LEU H . . 4.590 4.079 3.757 4.226 . 0 0 "[ . 1 . 2]" 2 209 1 33 CYS H 1 34 GLY H . . 3.020 1.915 1.809 1.971 . 0 0 "[ . 1 . 2]" 2 210 1 35 HIS H 1 36 ARG H . . 4.820 4.608 4.567 4.651 . 0 0 "[ . 1 . 2]" 2 211 1 39 GLU H 1 41 CYS H . . 5.500 5.329 5.105 5.485 . 0 0 "[ . 1 . 2]" 2 212 1 41 CYS H 1 43 ALA H . . 4.840 4.687 4.541 4.786 . 0 0 "[ . 1 . 2]" 2 213 1 43 ALA HA 1 44 ALA H . . 3.500 3.461 3.400 3.504 0.004 12 0 "[ . 1 . 2]" 2 214 1 42 MET HB3 1 44 ALA H . . 4.840 4.623 4.498 4.733 . 0 0 "[ . 1 . 2]" 2 215 1 46 LEU H 1 46 LEU HG . . 2.990 2.078 1.966 2.252 . 0 0 "[ . 1 . 2]" 2 216 1 47 SER H 1 48 SER H . . 3.080 2.843 2.645 2.972 . 0 0 "[ . 1 . 2]" 2 217 1 62 LYS H 1 63 ASP H . . 4.080 2.906 2.748 3.070 . 0 0 "[ . 1 . 2]" 2 218 1 7 GLY HA2 1 8 PHE HA . . 5.360 4.466 4.312 4.981 . 0 0 "[ . 1 . 2]" 2 219 1 7 GLY HA3 1 8 PHE HA . . 5.360 4.517 4.343 4.856 . 0 0 "[ . 1 . 2]" 2 220 1 30 GLN HB3 1 34 GLY HA2 . . 5.440 5.023 4.850 5.199 . 0 0 "[ . 1 . 2]" 2 221 1 33 CYS H 1 34 GLY HA2 . . 4.440 4.292 4.245 4.356 . 0 0 "[ . 1 . 2]" 2 222 1 33 CYS HA 1 34 GLY HA2 . . 5.070 4.937 4.921 4.964 . 0 0 "[ . 1 . 2]" 2 223 1 37 PHE HB3 1 38 CYS H . . 3.660 2.305 2.216 2.465 . 0 0 "[ . 1 . 2]" 2 224 1 19 GLU H 1 37 PHE HB3 . . 4.860 4.295 4.259 4.332 . 0 0 "[ . 1 . 2]" 2 225 1 37 PHE HB3 1 41 CYS HB3 . . 3.910 3.516 3.452 3.546 . 0 0 "[ . 1 . 2]" 2 226 1 37 PHE HB3 1 42 MET HB3 . . 4.900 4.412 4.245 4.622 . 0 0 "[ . 1 . 2]" 2 227 1 31 THR MG 1 37 PHE HB3 . . 5.500 5.280 4.985 5.492 . 0 0 "[ . 1 . 2]" 2 228 1 25 LEU HB3 1 38 CYS HB3 . . 5.500 5.234 5.111 5.381 . 0 0 "[ . 1 . 2]" 2 229 1 44 ALA MB 1 45 LEU H . . 3.040 2.362 2.245 2.588 . 0 0 "[ . 1 . 2]" 2 230 1 44 ALA MB 1 45 LEU MD2 . . 3.960 3.419 3.184 3.659 . 0 0 "[ . 1 . 2]" 2 231 1 44 ALA MB 1 45 LEU MD1 . . 4.680 4.443 4.354 4.510 . 0 0 "[ . 1 . 2]" 2 232 1 55 ALA H 1 55 ALA MB . . 2.950 2.041 2.027 2.060 . 0 0 "[ . 1 . 2]" 2 233 1 55 ALA MB 1 56 CYS H . . 3.120 1.860 1.851 1.868 . 0 0 "[ . 1 . 2]" 2 234 1 35 HIS HE1 1 55 ALA MB . . 3.920 2.790 2.709 2.886 . 0 0 "[ . 1 . 2]" 2 235 1 37 PHE QE 1 55 ALA MB . . 4.650 2.875 2.627 3.392 . 0 0 "[ . 1 . 2]" 2 236 1 55 ALA MB 1 56 CYS HB3 . . 4.100 3.419 3.305 3.456 . 0 0 "[ . 1 . 2]" 2 237 1 19 GLU HG3 1 55 ALA MB . . 3.500 2.375 2.095 2.567 . 0 0 "[ . 1 . 2]" 2 238 1 36 ARG H 1 55 ALA MB . . 4.630 4.322 4.180 4.584 . 0 0 "[ . 1 . 2]" 2 239 1 37 PHE HZ 1 55 ALA MB . . 4.060 2.923 2.642 3.101 . 0 0 "[ . 1 . 2]" 2 240 1 54 THR H 1 55 ALA MB . . 4.760 4.569 4.557 4.576 . 0 0 "[ . 1 . 2]" 2 241 1 55 ALA MB 1 56 CYS HA . . 4.430 3.891 3.851 3.915 . 0 0 "[ . 1 . 2]" 2 242 1 54 THR HB 1 55 ALA MB . . 4.830 4.651 4.598 4.759 . 0 0 "[ . 1 . 2]" 2 243 1 35 HIS HB3 1 55 ALA MB . . 3.760 2.673 2.485 2.761 . 0 0 "[ . 1 . 2]" 2 244 1 19 GLU HB3 1 55 ALA MB . . 3.810 2.696 2.523 2.792 . 0 0 "[ . 1 . 2]" 2 245 1 41 CYS H 1 44 ALA MB . . 4.420 4.224 4.123 4.333 . 0 0 "[ . 1 . 2]" 2 246 1 42 MET H 1 43 ALA MB . . 4.870 4.481 4.374 4.567 . 0 0 "[ . 1 . 2]" 2 247 1 42 MET H 1 44 ALA MB . . 5.230 4.490 4.345 4.614 . 0 0 "[ . 1 . 2]" 2 248 1 44 ALA MB 1 47 SER H . . 4.570 4.553 4.467 4.571 0.001 5 0 "[ . 1 . 2]" 2 249 1 43 ALA H 1 43 ALA MB . . 2.580 2.095 2.029 2.233 . 0 0 "[ . 1 . 2]" 2 250 1 40 SER HA 1 43 ALA MB . . 3.070 2.957 2.837 3.046 . 0 0 "[ . 1 . 2]" 2 251 1 43 ALA MB 1 46 LEU MD1 . . 4.060 3.566 3.268 3.844 . 0 0 "[ . 1 . 2]" 2 252 1 31 THR H 1 60 ILE MG . . 4.630 4.455 4.074 4.631 0.001 15 0 "[ . 1 . 2]" 2 253 1 60 ILE MG 1 61 VAL H . . 3.400 2.905 2.430 3.344 . 0 0 "[ . 1 . 2]" 2 254 1 60 ILE H 1 60 ILE MG . . 3.920 3.912 3.829 3.958 0.038 9 0 "[ . 1 . 2]" 2 255 1 60 ILE HA 1 60 ILE MG . . 2.980 2.034 1.977 2.139 . 0 0 "[ . 1 . 2]" 2 256 1 60 ILE MG 1 61 VAL HA . . 4.650 4.240 4.039 4.458 . 0 0 "[ . 1 . 2]" 2 257 1 60 ILE MG 1 62 LYS HA . . 5.060 4.906 4.665 5.055 . 0 0 "[ . 1 . 2]" 2 258 1 53 CYS HA 1 60 ILE MG . . 4.510 4.097 3.994 4.242 . 0 0 "[ . 1 . 2]" 2 259 1 42 MET HG3 1 60 ILE MG . . 4.900 4.041 3.672 4.603 . 0 0 "[ . 1 . 2]" 2 260 1 31 THR MG 1 60 ILE MG . . 2.900 1.805 1.705 1.888 . 0 0 "[ . 1 . 2]" 2 261 1 45 LEU MD1 1 60 ILE MG . . 4.560 3.117 2.860 3.506 . 0 0 "[ . 1 . 2]" 2 262 1 11 THR HB 1 12 VAL H . . 3.850 3.179 2.447 3.853 0.003 13 0 "[ . 1 . 2]" 2 263 1 37 PHE H 1 42 MET ME . . 4.170 3.719 3.128 4.158 . 0 0 "[ . 1 . 2]" 2 264 1 42 MET ME 1 45 LEU H . . 5.500 4.700 4.351 5.153 . 0 0 "[ . 1 . 2]" 2 265 1 42 MET ME 1 46 LEU H . . 5.500 4.375 3.835 5.082 . 0 0 "[ . 1 . 2]" 2 266 1 37 PHE QE 1 42 MET ME . . 4.550 4.432 4.326 4.497 . 0 0 "[ . 1 . 2]" 2 267 1 37 PHE QD 1 42 MET ME . . 3.350 3.029 2.834 3.188 . 0 0 "[ . 1 . 2]" 2 268 1 37 PHE HA 1 42 MET ME . . 4.840 4.462 4.228 4.690 . 0 0 "[ . 1 . 2]" 2 269 1 29 LYS HA 1 42 MET ME . . 5.500 5.134 4.517 5.506 0.006 16 0 "[ . 1 . 2]" 2 270 1 42 MET HA 1 42 MET ME . . 3.620 1.865 1.787 1.981 . 0 0 "[ . 1 . 2]" 2 271 1 37 PHE HB3 1 42 MET ME . . 3.630 2.784 2.718 2.916 . 0 0 "[ . 1 . 2]" 2 272 1 42 MET ME 1 60 ILE MG . . 3.310 1.947 1.675 2.399 . 0 0 "[ . 1 . 2]" 2 273 1 11 THR HB 1 13 GLU H . . 5.190 4.746 3.775 5.194 0.004 5 0 "[ . 1 . 2]" 2 274 1 11 THR HA 1 11 THR HB . . 2.970 2.842 2.225 2.970 . 0 0 "[ . 1 . 2]" 2 275 1 36 ARG HA 1 42 MET ME . . 5.080 4.607 4.177 5.082 0.002 19 0 "[ . 1 . 2]" 2 276 1 16 TYR HB3 1 36 ARG HD3 . . 4.050 2.783 2.424 3.298 . 0 0 "[ . 1 . 2]" 2 277 1 28 PRO HG3 1 36 ARG HD3 . . 4.100 2.203 1.999 2.676 . 0 0 "[ . 1 . 2]" 2 278 1 36 ARG HB3 1 36 ARG HD3 . . 3.820 3.186 2.886 3.463 . 0 0 "[ . 1 . 2]" 2 279 1 25 LEU MD1 1 36 ARG HD3 . . 5.290 5.001 4.769 5.290 0.000 8 0 "[ . 1 . 2]" 2 280 1 36 ARG H 1 36 ARG HD3 . . 5.500 5.436 5.067 5.502 0.002 4 0 "[ . 1 . 2]" 2 281 1 36 ARG HA 1 36 ARG HD3 . . 4.930 4.733 4.664 4.822 . 0 0 "[ . 1 . 2]" 2 282 1 23 LEU H 1 23 LEU HB3 . . 3.720 3.405 3.384 3.450 . 0 0 "[ . 1 . 2]" 2 283 1 23 LEU HB3 1 24 VAL H . . 4.070 3.650 3.617 3.698 . 0 0 "[ . 1 . 2]" 2 284 1 37 PHE HZ 1 54 THR HB . . 4.230 2.294 1.998 3.048 . 0 0 "[ . 1 . 2]" 2 285 1 53 CYS HA 1 54 THR HB . . 4.670 4.175 4.171 4.185 . 0 0 "[ . 1 . 2]" 2 286 1 20 LYS HD3 1 54 THR HB . . 5.500 4.720 4.539 4.789 . 0 0 "[ . 1 . 2]" 2 287 1 54 THR HB 1 55 ALA H . . 4.110 3.176 3.086 3.313 . 0 0 "[ . 1 . 2]" 2 288 1 37 PHE QE 1 54 THR HB . . 3.930 2.319 2.248 2.368 . 0 0 "[ . 1 . 2]" 2 289 1 54 THR H 1 54 THR HB . . 4.030 2.196 2.173 2.222 . 0 0 "[ . 1 . 2]" 2 290 1 45 LEU HB3 1 60 ILE HB . . 4.400 4.029 3.710 4.349 . 0 0 "[ . 1 . 2]" 2 291 1 42 MET HA 1 45 LEU HB3 . . 5.240 5.042 4.951 5.196 . 0 0 "[ . 1 . 2]" 2 292 1 42 MET ME 1 45 LEU HB3 . . 5.230 4.714 4.286 5.231 0.001 12 0 "[ . 1 . 2]" 2 293 1 45 LEU HB3 1 46 LEU HG . . 5.500 4.674 4.497 4.935 . 0 0 "[ . 1 . 2]" 2 294 1 45 LEU HB3 1 60 ILE HG13 . . 4.700 4.283 4.155 4.490 . 0 0 "[ . 1 . 2]" 2 295 1 46 LEU HB3 1 46 LEU MD2 . . 3.250 2.255 2.174 2.350 . 0 0 "[ . 1 . 2]" 2 296 1 16 TYR HB3 1 25 LEU HG . . 4.930 4.567 4.402 4.879 . 0 0 "[ . 1 . 2]" 2 297 1 16 TYR HB3 1 28 PRO HG3 . . 4.770 2.279 1.998 2.973 . 0 0 "[ . 1 . 2]" 2 298 1 16 TYR HB3 1 36 ARG HG3 . . 5.290 5.123 4.926 5.293 0.003 17 0 "[ . 1 . 2]" 2 299 1 16 TYR HB3 1 25 LEU MD1 . . 4.320 3.938 3.798 4.176 . 0 0 "[ . 1 . 2]" 2 300 1 66 PHE H 1 66 PHE HB3 . . 4.110 3.637 2.135 4.059 . 0 0 "[ . 1 . 2]" 2 301 1 53 CYS H 1 60 ILE MD . . 4.150 2.841 2.716 2.975 . 0 0 "[ . 1 . 2]" 2 302 1 45 LEU H 1 60 ILE MD . . 5.500 4.478 4.358 4.587 . 0 0 "[ . 1 . 2]" 2 303 1 46 LEU H 1 60 ILE MD . . 5.500 3.856 3.697 4.085 . 0 0 "[ . 1 . 2]" 2 304 1 52 LYS H 1 60 ILE MD . . 4.120 2.531 2.266 2.735 . 0 0 "[ . 1 . 2]" 2 305 1 60 ILE H 1 60 ILE MD . . 4.060 3.751 3.566 3.883 . 0 0 "[ . 1 . 2]" 2 306 1 37 PHE QE 1 60 ILE MD . . 4.500 3.929 3.708 4.152 . 0 0 "[ . 1 . 2]" 2 307 1 59 SER HA 1 60 ILE MD . . 4.800 4.686 4.594 4.811 0.011 6 0 "[ . 1 . 2]" 2 308 1 45 LEU HA 1 60 ILE MD . . 4.400 4.077 3.944 4.241 . 0 0 "[ . 1 . 2]" 2 309 1 46 LEU HA 1 60 ILE MD . . 4.780 4.241 4.105 4.410 . 0 0 "[ . 1 . 2]" 2 310 1 53 CYS HA 1 60 ILE MD . . 3.480 2.063 1.954 2.224 . 0 0 "[ . 1 . 2]" 2 311 1 42 MET ME 1 60 ILE MD . . 3.440 3.129 2.797 3.442 0.002 8 0 "[ . 1 . 2]" 2 312 1 45 LEU HG 1 60 ILE MD . . 4.420 3.735 3.605 3.951 . 0 0 "[ . 1 . 2]" 2 313 1 60 ILE HB 1 60 ILE MD . . 3.250 2.263 2.249 2.317 . 0 0 "[ . 1 . 2]" 2 314 1 45 LEU HB3 1 60 ILE MD . . 3.780 2.030 1.891 2.223 . 0 0 "[ . 1 . 2]" 2 315 1 60 ILE MD 1 60 ILE MG . . 2.840 2.202 2.023 2.262 . 0 0 "[ . 1 . 2]" 2 316 1 60 ILE HB 1 61 VAL H . . 4.460 4.034 3.817 4.198 . 0 0 "[ . 1 . 2]" 2 317 1 59 SER HA 1 60 ILE HB . . 5.380 5.030 4.991 5.109 . 0 0 "[ . 1 . 2]" 2 318 1 40 SER HA 1 41 CYS HA . . 5.080 4.836 4.827 4.855 . 0 0 "[ . 1 . 2]" 2 319 1 41 CYS HA 1 45 LEU H . . 4.350 4.024 3.911 4.104 . 0 0 "[ . 1 . 2]" 2 320 1 41 CYS HA 1 44 ALA H . . 3.620 3.421 3.314 3.501 . 0 0 "[ . 1 . 2]" 2 321 1 41 CYS HA 1 44 ALA MB . . 2.910 2.312 2.099 2.407 . 0 0 "[ . 1 . 2]" 2 322 1 41 CYS HA 1 45 LEU MD1 . . 4.860 4.805 4.558 4.861 0.001 9 0 "[ . 1 . 2]" 2 323 1 54 THR HA 1 57 GLN H . . 5.160 4.964 4.703 5.121 . 0 0 "[ . 1 . 2]" 2 324 1 37 PHE HZ 1 54 THR HA . . 4.720 4.156 3.968 4.563 . 0 0 "[ . 1 . 2]" 2 325 1 54 THR HA 1 57 GLN HE22 . . 4.460 3.350 2.481 4.228 . 0 0 "[ . 1 . 2]" 2 326 1 54 THR HA 1 55 ALA HA . . 5.060 4.865 4.853 4.879 . 0 0 "[ . 1 . 2]" 2 327 1 54 THR HA 1 54 THR HB . . 2.940 2.860 2.824 2.885 . 0 0 "[ . 1 . 2]" 2 328 1 54 THR HA 1 54 THR MG . . 3.010 2.922 2.877 2.975 . 0 0 "[ . 1 . 2]" 2 329 1 45 LEU MD2 1 54 THR HA . . 4.720 3.854 3.723 4.064 . 0 0 "[ . 1 . 2]" 2 330 1 54 THR HA 1 55 ALA MB . . 5.020 4.993 4.981 4.999 . 0 0 "[ . 1 . 2]" 2 331 1 37 PHE QE 1 54 THR HA . . 4.860 4.845 4.747 4.872 0.012 15 0 "[ . 1 . 2]" 2 332 1 48 SER HB3 1 50 SER H . . 4.790 3.314 2.645 3.844 . 0 0 "[ . 1 . 2]" 2 333 1 47 SER H 1 48 SER HB3 . . 4.990 4.864 4.652 4.990 . 17 0 "[ . 1 . 2]" 2 334 1 48 SER HB3 1 51 PRO HA . . 3.720 3.056 2.887 3.181 . 0 0 "[ . 1 . 2]" 2 335 1 48 SER HB3 1 51 PRO HD3 . . 4.570 3.636 3.068 3.786 . 0 0 "[ . 1 . 2]" 2 336 1 48 SER HB3 1 51 PRO HB3 . . 4.030 3.458 3.082 3.833 . 0 0 "[ . 1 . 2]" 2 337 1 45 LEU MD2 1 48 SER HB3 . . 4.830 4.315 4.127 4.745 . 0 0 "[ . 1 . 2]" 2 338 1 44 ALA MB 1 47 SER HB3 . . 5.280 4.668 4.193 5.041 . 0 0 "[ . 1 . 2]" 2 339 1 47 SER HB3 1 48 SER H . . 4.640 4.001 3.236 4.165 . 0 0 "[ . 1 . 2]" 2 340 1 32 GLU H 1 32 GLU HG3 . . 4.740 4.473 4.125 4.718 . 0 0 "[ . 1 . 2]" 2 341 1 23 LEU HA 1 24 VAL HA . . 4.610 4.396 4.390 4.411 . 0 0 "[ . 1 . 2]" 2 342 1 46 LEU H 1 51 PRO HA . . 5.500 5.415 5.240 5.505 0.005 14 0 "[ . 1 . 2]" 2 343 1 51 PRO HA 1 60 ILE HB . . 4.760 4.533 4.464 4.636 . 0 0 "[ . 1 . 2]" 2 344 1 45 LEU HB3 1 51 PRO HA . . 4.380 3.281 3.066 3.443 . 0 0 "[ . 1 . 2]" 2 345 1 51 PRO HA 1 60 ILE MD . . 4.590 3.187 3.092 3.292 . 0 0 "[ . 1 . 2]" 2 346 1 51 PRO HA 1 52 LYS H . . 2.630 2.153 2.150 2.182 . 0 0 "[ . 1 . 2]" 2 347 1 51 PRO HA 1 60 ILE HG13 . . 4.180 3.920 3.757 4.110 . 0 0 "[ . 1 . 2]" 2 348 1 18 CYS H 1 24 VAL HA . . 4.140 3.861 3.739 3.938 . 0 0 "[ . 1 . 2]" 2 349 1 24 VAL HA 1 25 LEU H . . 2.920 2.145 2.141 2.160 . 0 0 "[ . 1 . 2]" 2 350 1 24 VAL HA 1 25 LEU HG . . 3.810 3.389 3.328 3.447 . 0 0 "[ . 1 . 2]" 2 351 1 24 VAL HA 1 25 LEU HB3 . . 5.500 5.436 5.351 5.512 0.012 13 0 "[ . 1 . 2]" 2 352 1 28 PRO HA 1 29 LYS H . . 3.090 2.724 2.721 2.726 . 0 0 "[ . 1 . 2]" 2 353 1 25 LEU HB3 1 28 PRO HA . . 4.550 4.501 4.275 4.552 0.002 15 0 "[ . 1 . 2]" 2 354 1 25 LEU MD2 1 28 PRO HA . . 4.550 4.525 4.453 4.561 0.011 16 0 "[ . 1 . 2]" 2 355 1 25 LEU MD1 1 28 PRO HA . . 3.770 2.117 1.943 2.440 . 0 0 "[ . 1 . 2]" 2 356 1 52 LYS H 1 52 LYS HB3 . . 3.910 3.771 3.746 3.820 . 0 0 "[ . 1 . 2]" 2 357 1 52 LYS HB3 1 58 GLU HA . . 4.660 3.226 3.140 3.380 . 0 0 "[ . 1 . 2]" 2 358 1 65 VAL HA 1 66 PHE H . . 2.820 2.230 2.153 2.330 . 0 0 "[ . 1 . 2]" 2 359 1 65 VAL HA 1 66 PHE QD . . 4.310 3.725 2.697 4.310 0.000 16 0 "[ . 1 . 2]" 2 360 1 29 LYS HA 1 65 VAL HA . . 5.030 4.877 4.656 5.034 0.004 19 0 "[ . 1 . 2]" 2 361 1 65 VAL HA 1 66 PHE HA . . 5.280 4.414 4.335 4.495 . 0 0 "[ . 1 . 2]" 2 362 1 31 THR MG 1 65 VAL HA . . 5.110 4.811 4.531 5.039 . 0 0 "[ . 1 . 2]" 2 363 1 12 VAL HA 1 12 VAL MG1 . . 3.390 2.865 2.246 3.193 . 0 0 "[ . 1 . 2]" 2 364 1 12 VAL HA 1 12 VAL MG2 . . 3.390 2.328 2.035 2.485 . 0 0 "[ . 1 . 2]" 2 365 1 19 GLU HG3 1 37 PHE QE . . 4.870 4.039 3.838 4.272 . 0 0 "[ . 1 . 2]" 2 366 1 9 VAL HA 1 9 VAL MG1 . . 3.420 3.178 3.067 3.204 . 0 0 "[ . 1 . 2]" 2 367 1 11 THR HA 1 12 VAL HB . . 4.680 4.495 4.073 4.678 . 0 0 "[ . 1 . 2]" 2 368 1 17 LYS HB3 1 18 CYS H . . 4.380 4.213 4.205 4.262 . 0 0 "[ . 1 . 2]" 2 369 1 16 TYR HA 1 17 LYS HB3 . . 4.780 4.124 4.059 4.144 . 0 0 "[ . 1 . 2]" 2 370 1 17 LYS HB3 1 22 HIS HA . . 4.600 4.454 4.445 4.461 . 0 0 "[ . 1 . 2]" 2 371 1 17 LYS HB3 1 24 VAL MG2 . . 5.010 3.909 3.695 4.035 . 0 0 "[ . 1 . 2]" 2 372 1 17 LYS HB3 1 24 VAL HA . . 4.720 4.043 3.892 4.107 . 0 0 "[ . 1 . 2]" 2 373 1 60 ILE HA 1 61 VAL H . . 2.840 2.154 2.140 2.187 . 0 0 "[ . 1 . 2]" 2 374 1 59 SER HA 1 60 ILE HA . . 4.540 4.399 4.391 4.417 . 0 0 "[ . 1 . 2]" 2 375 1 60 ILE HA 1 61 VAL HB . . 4.860 4.590 4.478 4.716 . 0 0 "[ . 1 . 2]" 2 376 1 31 THR MG 1 60 ILE HA . . 3.770 3.185 2.819 3.494 . 0 0 "[ . 1 . 2]" 2 377 1 60 ILE HA 1 60 ILE MD . . 4.040 4.007 3.992 4.026 . 0 0 "[ . 1 . 2]" 2 378 1 30 GLN HG3 1 34 GLY HA2 . . 4.760 4.011 3.645 4.241 . 0 0 "[ . 1 . 2]" 2 379 1 30 GLN HA 1 30 GLN HG3 . . 4.140 2.345 2.210 2.492 . 0 0 "[ . 1 . 2]" 2 380 1 30 GLN HG3 1 31 THR MG . . 5.430 5.284 4.958 5.425 . 0 0 "[ . 1 . 2]" 2 381 1 53 CYS HA 1 57 GLN H . . 4.740 4.255 4.232 4.304 . 0 0 "[ . 1 . 2]" 2 382 1 37 PHE HZ 1 53 CYS HA . . 3.800 3.761 3.210 3.805 0.005 7 0 "[ . 1 . 2]" 2 383 1 53 CYS HA 1 54 THR H . . 3.310 2.203 2.192 2.233 . 0 0 "[ . 1 . 2]" 2 384 1 53 CYS HA 1 55 ALA H . . 4.570 3.681 3.533 3.809 . 0 0 "[ . 1 . 2]" 2 385 1 37 PHE QE 1 53 CYS HA . . 4.290 3.367 3.070 3.549 . 0 0 "[ . 1 . 2]" 2 386 1 15 LYS HB3 1 16 TYR H . . 3.900 3.019 2.170 3.584 . 0 0 "[ . 1 . 2]" 2 387 1 15 LYS HB3 1 24 VAL MG1 . . 3.800 3.508 2.636 3.745 . 0 0 "[ . 1 . 2]" 2 388 1 49 SER HA 1 51 PRO HD3 . . 4.490 3.861 3.551 4.297 . 0 0 "[ . 1 . 2]" 2 389 1 39 GLU HA 1 43 ALA H . . 4.360 4.005 3.896 4.141 . 0 0 "[ . 1 . 2]" 2 390 1 39 GLU HA 1 42 MET ME . . 5.380 5.231 4.888 5.386 0.006 17 0 "[ . 1 . 2]" 2 391 1 29 LYS HG3 1 39 GLU HA . . 3.920 3.712 3.340 3.895 . 0 0 "[ . 1 . 2]" 2 392 1 59 SER HA 1 60 ILE MG . . 5.390 5.304 5.229 5.356 . 0 0 "[ . 1 . 2]" 2 393 1 52 LYS HB3 1 59 SER HA . . 4.210 4.006 3.947 4.070 . 0 0 "[ . 1 . 2]" 2 394 1 59 SER HA 1 60 ILE HG13 . . 3.890 3.263 3.168 3.390 . 0 0 "[ . 1 . 2]" 2 395 1 20 LYS HB3 1 37 PHE QE . . 4.440 3.892 3.805 4.388 . 0 0 "[ . 1 . 2]" 2 396 1 20 LYS HB3 1 37 PHE QD . . 4.080 3.642 3.586 3.811 . 0 0 "[ . 1 . 2]" 2 397 1 20 LYS HB3 1 41 CYS HA . . 5.420 5.051 4.960 5.086 . 0 0 "[ . 1 . 2]" 2 398 1 20 LYS HB3 1 20 LYS HD3 . . 3.890 2.747 2.692 2.821 . 0 0 "[ . 1 . 2]" 2 399 1 61 VAL MG1 1 64 LYS HB3 . . 5.060 4.571 4.419 4.775 . 0 0 "[ . 1 . 2]" 2 400 1 61 VAL MG2 1 64 LYS HB3 . . 5.500 5.002 4.489 5.467 . 0 0 "[ . 1 . 2]" 2 401 1 32 GLU HG3 1 64 LYS HB3 . . 4.890 3.166 2.084 4.231 . 0 0 "[ . 1 . 2]" 2 402 1 29 LYS H 1 29 LYS HB3 . . 3.950 3.797 3.735 3.857 . 0 0 "[ . 1 . 2]" 2 403 1 32 GLU HA 1 32 GLU HG3 . . 3.600 3.165 2.442 3.579 . 0 0 "[ . 1 . 2]" 2 404 1 19 GLU HG3 1 35 HIS HB3 . . 3.700 2.046 1.998 2.295 . 0 0 "[ . 1 . 2]" 2 405 1 31 THR MG 1 35 HIS HB3 . . 4.570 4.436 4.228 4.571 0.001 7 0 "[ . 1 . 2]" 2 406 1 35 HIS H 1 35 HIS HB3 . . 3.900 3.594 3.585 3.611 . 0 0 "[ . 1 . 2]" 2 407 1 35 HIS HB3 1 37 PHE QE . . 4.010 3.108 2.823 3.354 . 0 0 "[ . 1 . 2]" 2 408 1 12 VAL HB 1 13 GLU H . . 4.520 4.387 4.180 4.533 0.013 5 0 "[ . 1 . 2]" 2 409 1 61 VAL HB 1 62 LYS H . . 4.640 4.260 4.113 4.407 . 0 0 "[ . 1 . 2]" 2 410 1 62 LYS H 1 65 VAL HB . . 5.220 4.139 3.857 4.811 . 0 0 "[ . 1 . 2]" 2 411 1 61 VAL HB 1 64 LYS H . . 4.330 2.672 2.324 2.977 . 0 0 "[ . 1 . 2]" 2 412 1 18 CYS HA 1 19 GLU H . . 2.910 2.205 2.200 2.215 . 0 0 "[ . 1 . 2]" 2 413 1 18 CYS HA 1 25 LEU MD2 . . 4.260 4.054 3.947 4.174 . 0 0 "[ . 1 . 2]" 2 414 1 46 LEU MD2 1 61 VAL HB . . 5.110 4.642 4.267 4.924 . 0 0 "[ . 1 . 2]" 2 415 1 46 LEU MD2 1 65 VAL HB . . 5.500 4.457 4.094 4.910 . 0 0 "[ . 1 . 2]" 2 416 1 61 VAL HB 1 64 LYS HA . . 5.020 4.725 4.380 5.020 . 19 0 "[ . 1 . 2]" 2 417 1 29 LYS H 1 36 ARG HB3 . . 4.280 3.430 3.216 3.764 . 0 0 "[ . 1 . 2]" 2 418 1 25 LEU MD1 1 36 ARG HB3 . . 4.200 3.454 3.323 3.682 . 0 0 "[ . 1 . 2]" 2 419 1 18 CYS HA 1 25 LEU HG . . 4.920 4.536 4.213 4.666 . 0 0 "[ . 1 . 2]" 2 420 1 18 CYS HA 1 37 PHE H . . 4.580 4.005 3.882 4.187 . 0 0 "[ . 1 . 2]" 2 421 1 18 CYS HA 1 36 ARG HB3 . . 4.370 4.054 3.863 4.207 . 0 0 "[ . 1 . 2]" 2 422 1 18 CYS HA 1 25 LEU MD1 . . 3.910 3.148 2.763 3.347 . 0 0 "[ . 1 . 2]" 2 423 1 46 LEU HB3 1 47 SER HA . . 4.920 4.537 4.410 4.617 . 0 0 "[ . 1 . 2]" 2 424 1 21 CYS HB3 1 23 LEU HG . . 5.300 4.603 4.393 4.697 . 0 0 "[ . 1 . 2]" 2 425 1 21 CYS HB3 1 23 LEU H . . 4.690 4.656 4.544 4.692 0.002 7 0 "[ . 1 . 2]" 2 426 1 20 LYS HB3 1 21 CYS HB3 . . 4.540 3.634 3.618 3.643 . 0 0 "[ . 1 . 2]" 2 427 1 30 GLN HB3 1 34 GLY H . . 5.500 5.369 4.338 5.500 0.000 18 0 "[ . 1 . 2]" 2 428 1 62 LYS HA 1 65 VAL HB . . 4.730 2.085 1.998 2.357 . 0 0 "[ . 1 . 2]" 2 429 1 45 LEU HA 1 47 SER H . . 4.590 4.034 3.816 4.309 . 0 0 "[ . 1 . 2]" 2 430 1 45 LEU HA 1 48 SER H . . 4.730 4.028 3.682 4.221 . 0 0 "[ . 1 . 2]" 2 431 1 45 LEU HA 1 45 LEU HG . . 3.410 3.125 3.058 3.234 . 0 0 "[ . 1 . 2]" 2 432 1 19 GLU HA 1 22 HIS H . . 4.530 4.218 4.178 4.309 . 0 0 "[ . 1 . 2]" 2 433 1 19 GLU HA 1 19 GLU HG3 . . 3.730 3.568 3.551 3.619 . 0 0 "[ . 1 . 2]" 2 434 1 19 GLU HA 1 55 ALA MB . . 4.700 4.663 4.489 4.702 0.002 12 0 "[ . 1 . 2]" 2 435 1 23 LEU MD2 1 38 CYS HB3 . . 4.950 4.822 4.670 4.952 0.002 16 0 "[ . 1 . 2]" 2 436 1 51 PRO HB3 1 60 ILE H . . 4.580 4.543 4.390 4.586 0.006 20 0 "[ . 1 . 2]" 2 437 1 51 PRO HB3 1 52 LYS H . . 4.230 4.057 3.860 4.097 . 0 0 "[ . 1 . 2]" 2 438 1 51 PRO HB3 1 60 ILE HB . . 3.690 3.367 3.322 3.429 . 0 0 "[ . 1 . 2]" 2 439 1 51 PRO HB3 1 60 ILE HG13 . . 4.230 4.166 4.030 4.234 0.004 18 0 "[ . 1 . 2]" 2 440 1 51 PRO HB3 1 60 ILE MD . . 3.970 3.209 3.075 3.277 . 0 0 "[ . 1 . 2]" 2 441 1 53 CYS H 1 57 GLN HA . . 4.210 2.278 2.199 2.445 . 0 0 "[ . 1 . 2]" 2 442 1 57 GLN HA 1 58 GLU H . . 3.160 2.230 2.173 2.272 . 0 0 "[ . 1 . 2]" 2 443 1 57 GLN HA 1 57 GLN HG3 . . 4.010 3.590 2.082 3.886 . 0 0 "[ . 1 . 2]" 2 444 1 52 LYS HD3 1 57 GLN HA . . 4.440 4.391 3.989 4.462 0.022 20 0 "[ . 1 . 2]" 2 445 1 52 LYS HB3 1 57 GLN HA . . 3.710 2.619 2.498 2.737 . 0 0 "[ . 1 . 2]" 2 446 1 44 ALA MB 1 45 LEU HA . . 3.930 3.673 3.585 3.772 . 0 0 "[ . 1 . 2]" 2 447 1 18 CYS HA 1 19 GLU HA . . 4.520 4.348 4.346 4.350 . 0 0 "[ . 1 . 2]" 2 448 1 19 GLU HA 1 22 HIS HD2 . . 4.450 4.455 4.453 4.458 0.008 19 0 "[ . 1 . 2]" 2 449 1 38 CYS HB3 1 39 GLU H . . 4.040 3.828 3.694 3.959 . 0 0 "[ . 1 . 2]" 2 450 1 18 CYS H 1 38 CYS HB3 . . 4.790 4.139 4.104 4.248 . 0 0 "[ . 1 . 2]" 2 451 1 38 CYS HB3 1 40 SER H . . 5.070 4.990 4.645 5.073 0.003 19 0 "[ . 1 . 2]" 2 452 1 25 LEU HG 1 38 CYS HB3 . . 4.790 4.604 4.508 4.734 . 0 0 "[ . 1 . 2]" 2 453 1 23 LEU HB3 1 38 CYS HB3 . . 4.710 3.450 3.342 3.662 . 0 0 "[ . 1 . 2]" 2 454 1 24 VAL HB 1 25 LEU H . . 4.500 4.402 4.308 4.478 . 0 0 "[ . 1 . 2]" 2 455 1 23 LEU HA 1 24 VAL HB . . 5.180 4.494 4.396 4.621 . 0 0 "[ . 1 . 2]" 2 456 1 18 CYS HB3 1 38 CYS H . . 4.090 3.877 3.811 3.952 . 0 0 "[ . 1 . 2]" 2 457 1 18 CYS H 1 18 CYS HB3 . . 3.130 2.392 2.354 2.413 . 0 0 "[ . 1 . 2]" 2 458 1 18 CYS HB3 1 23 LEU H . . 3.310 1.955 1.900 2.002 . 0 0 "[ . 1 . 2]" 2 459 1 18 CYS HB3 1 37 PHE HA . . 4.690 4.089 4.011 4.266 . 0 0 "[ . 1 . 2]" 2 460 1 18 CYS HB3 1 22 HIS HA . . 3.980 3.668 3.609 3.694 . 0 0 "[ . 1 . 2]" 2 461 1 18 CYS HB3 1 38 CYS HB3 . . 3.850 3.209 3.149 3.274 . 0 0 "[ . 1 . 2]" 2 462 1 18 CYS HB3 1 23 LEU HB3 . . 4.230 3.887 3.840 3.936 . 0 0 "[ . 1 . 2]" 2 463 1 18 CYS HB3 1 23 LEU HG . . 4.930 4.682 4.384 4.802 . 0 0 "[ . 1 . 2]" 2 464 1 18 CYS HB3 1 25 LEU HG . . 5.500 4.934 4.604 5.105 . 0 0 "[ . 1 . 2]" 2 465 1 18 CYS HB3 1 25 LEU MD2 . . 3.740 3.385 3.302 3.465 . 0 0 "[ . 1 . 2]" 2 466 1 18 CYS HB3 1 20 LYS H . . 4.480 3.219 3.182 3.276 . 0 0 "[ . 1 . 2]" 2 467 1 53 CYS HB3 1 60 ILE MD . . 4.380 4.118 4.011 4.223 . 0 0 "[ . 1 . 2]" 2 468 1 53 CYS HB3 1 58 GLU HB3 . . 4.980 4.092 3.047 4.781 . 0 0 "[ . 1 . 2]" 2 469 1 53 CYS HB3 1 57 GLN H . . 3.620 2.243 2.169 2.450 . 0 0 "[ . 1 . 2]" 2 470 1 53 CYS HB3 1 57 GLN HA . . 4.120 2.437 2.202 2.756 . 0 0 "[ . 1 . 2]" 2 471 1 53 CYS HB3 1 60 ILE MG . . 5.500 5.509 5.503 5.514 0.014 12 0 "[ . 1 . 2]" 2 472 1 21 CYS H 1 22 HIS HA . . 4.770 4.501 4.460 4.604 . 0 0 "[ . 1 . 2]" 2 473 1 58 GLU HA 1 59 SER HA . . 4.850 4.773 4.725 4.817 . 0 0 "[ . 1 . 2]" 2 474 1 42 MET HA 1 46 LEU MD1 . . 4.690 4.201 3.978 4.490 . 0 0 "[ . 1 . 2]" 2 475 1 42 MET HA 1 45 LEU H . . 3.890 3.709 3.603 3.885 . 0 0 "[ . 1 . 2]" 2 476 1 37 PHE HB3 1 42 MET HA . . 4.320 3.450 3.325 3.609 . 0 0 "[ . 1 . 2]" 2 477 1 42 MET HA 1 42 MET HG3 . . 3.720 3.023 2.862 3.301 . 0 0 "[ . 1 . 2]" 2 478 1 42 MET HA 1 45 LEU HG . . 3.920 3.719 3.429 3.921 0.001 19 0 "[ . 1 . 2]" 2 479 1 42 MET HA 1 44 ALA MB . . 4.840 4.761 4.670 4.834 . 0 0 "[ . 1 . 2]" 2 480 1 31 THR MG 1 42 MET HA . . 5.290 5.236 5.119 5.292 0.002 12 0 "[ . 1 . 2]" 2 481 1 42 MET HA 1 45 LEU MD2 . . 5.500 5.059 4.862 5.207 . 0 0 "[ . 1 . 2]" 2 482 1 42 MET HA 1 46 LEU MD2 . . 5.500 4.815 4.615 4.998 . 0 0 "[ . 1 . 2]" 2 483 1 42 MET HA 1 44 ALA H . . 4.760 4.051 3.822 4.251 . 0 0 "[ . 1 . 2]" 2 484 1 46 LEU HA 1 51 PRO HA . . 4.910 4.416 4.246 4.635 . 0 0 "[ . 1 . 2]" 2 485 1 46 LEU HA 1 61 VAL MG2 . . 5.410 5.208 4.919 5.413 0.003 6 0 "[ . 1 . 2]" 2 486 1 46 LEU HA 1 51 PRO HB3 . . 3.340 2.137 1.999 2.358 . 0 0 "[ . 1 . 2]" 2 487 1 46 LEU HA 1 46 LEU MD1 . . 4.100 3.911 3.861 3.941 . 0 0 "[ . 1 . 2]" 2 488 1 33 CYS HB3 1 58 GLU HA . . 4.980 4.842 4.715 4.982 0.002 14 0 "[ . 1 . 2]" 2 489 1 11 THR MG 1 13 GLU HA . . 5.500 4.837 2.996 5.476 . 0 0 "[ . 1 . 2]" 2 490 1 45 LEU HB3 1 46 LEU HA . . 4.800 4.391 4.223 4.471 . 0 0 "[ . 1 . 2]" 2 491 1 37 PHE HA 1 41 CYS HB3 . . 5.270 5.211 5.157 5.270 0.000 20 0 "[ . 1 . 2]" 2 492 1 41 CYS H 1 41 CYS HB3 . . 3.800 3.623 3.619 3.627 . 0 0 "[ . 1 . 2]" 2 493 1 21 CYS H 1 41 CYS HB3 . . 5.190 5.021 4.871 5.084 . 0 0 "[ . 1 . 2]" 2 494 1 41 CYS HB3 1 44 ALA MB . . 4.260 4.049 3.951 4.103 . 0 0 "[ . 1 . 2]" 2 495 1 38 CYS H 1 41 CYS HB3 . . 4.160 4.137 4.073 4.168 0.008 19 0 "[ . 1 . 2]" 2 496 1 41 CYS HB3 1 44 ALA H . . 5.460 5.090 4.965 5.247 . 0 0 "[ . 1 . 2]" 2 497 1 20 LYS HA 1 41 CYS HB3 . . 5.500 5.514 5.503 5.535 0.035 10 0 "[ . 1 . 2]" 2 498 1 33 CYS HA 1 33 CYS HB3 . . 2.960 2.538 2.509 2.542 . 0 0 "[ . 1 . 2]" 2 499 1 33 CYS HB3 1 58 GLU HB3 . . 3.830 2.412 1.998 2.838 . 0 0 "[ . 1 . 2]" 2 500 1 39 GLU H 1 39 GLU HB3 . . 3.670 3.531 3.466 3.579 . 0 0 "[ . 1 . 2]" 2 501 1 39 GLU HB3 1 43 ALA MB . . 4.570 4.397 4.327 4.480 . 0 0 "[ . 1 . 2]" 2 502 1 17 LYS H 1 17 LYS HD3 . . 5.500 5.281 5.244 5.316 . 0 0 "[ . 1 . 2]" 2 503 1 17 LYS HD3 1 22 HIS HA . . 4.420 1.998 1.990 2.000 . 0 0 "[ . 1 . 2]" 2 504 1 17 LYS HD3 1 22 HIS HB3 . . 4.440 3.065 3.034 3.103 . 0 0 "[ . 1 . 2]" 2 505 1 19 GLU HB3 1 35 HIS HB3 . . 4.830 3.641 3.443 3.897 . 0 0 "[ . 1 . 2]" 2 506 1 15 LYS HA 1 26 CYS HA . . 3.940 3.732 3.475 3.891 . 0 0 "[ . 1 . 2]" 2 507 1 20 LYS HD3 1 37 PHE QD . . 5.500 3.568 3.514 3.748 . 0 0 "[ . 1 . 2]" 2 508 1 20 LYS HD3 1 45 LEU MD1 . . 4.410 3.938 3.751 4.160 . 0 0 "[ . 1 . 2]" 2 509 1 20 LYS HA 1 20 LYS HD3 . . 4.680 4.551 4.528 4.566 . 0 0 "[ . 1 . 2]" 2 510 1 20 LYS HD3 1 41 CYS HB3 . . 3.660 1.998 1.994 2.000 . 0 0 "[ . 1 . 2]" 2 511 1 20 LYS HD3 1 45 LEU MD2 . . 3.870 3.841 3.698 3.874 0.004 19 0 "[ . 1 . 2]" 2 512 1 52 LYS H 1 52 LYS HD3 . . 4.940 4.782 4.059 4.944 0.004 20 0 "[ . 1 . 2]" 2 513 1 19 GLU HB3 1 55 ALA H . . 5.270 3.530 3.397 3.667 . 0 0 "[ . 1 . 2]" 2 514 1 19 GLU HB3 1 54 THR HB . . 4.790 4.694 4.437 4.792 0.002 19 0 "[ . 1 . 2]" 2 515 1 19 GLU H 1 19 GLU HB3 . . 3.570 3.483 3.423 3.537 . 0 0 "[ . 1 . 2]" 2 516 1 19 GLU HB3 1 37 PHE QE . . 4.090 3.355 3.190 3.457 . 0 0 "[ . 1 . 2]" 2 517 1 19 GLU HB3 1 37 PHE HZ . . 4.450 2.921 2.827 3.107 . 0 0 "[ . 1 . 2]" 2 518 1 23 LEU HA 1 24 VAL H . . 3.110 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 2 519 1 61 VAL MG1 1 64 LYS HA . . 4.460 4.376 4.232 4.463 0.003 6 0 "[ . 1 . 2]" 2 520 1 64 LYS HA 1 64 LYS HD3 . . 4.110 2.735 2.161 3.613 . 0 0 "[ . 1 . 2]" 2 521 1 61 VAL HB 1 64 LYS HD3 . . 4.930 4.645 4.317 4.930 . 0 0 "[ . 1 . 2]" 2 522 1 61 VAL MG1 1 64 LYS HD3 . . 5.180 4.122 3.170 4.841 . 0 0 "[ . 1 . 2]" 2 523 1 42 MET HB3 1 43 ALA HA . . 4.580 4.405 4.382 4.454 . 0 0 "[ . 1 . 2]" 2 524 1 36 ARG HG3 1 37 PHE H . . 4.860 4.520 4.323 4.713 . 0 0 "[ . 1 . 2]" 2 525 1 42 MET H 1 43 ALA HA . . 5.500 5.472 5.407 5.501 0.001 9 0 "[ . 1 . 2]" 2 526 1 43 ALA HA 1 46 LEU H . . 4.160 3.871 3.635 4.125 . 0 0 "[ . 1 . 2]" 2 527 1 43 ALA HA 1 47 SER H . . 4.630 4.408 4.156 4.631 0.001 9 0 "[ . 1 . 2]" 2 528 1 42 MET HG3 1 43 ALA HA . . 4.360 3.314 3.149 3.463 . 0 0 "[ . 1 . 2]" 2 529 1 43 ALA HA 1 46 LEU MD2 . . 5.010 4.794 4.520 5.005 . 0 0 "[ . 1 . 2]" 2 530 1 29 LYS HA 1 29 LYS HD3 . . 3.880 2.675 2.003 3.672 . 0 0 "[ . 1 . 2]" 2 531 1 30 GLN HG3 1 36 ARG HG3 . . 4.540 2.147 1.999 2.624 . 0 0 "[ . 1 . 2]" 2 532 1 28 PRO HG3 1 36 ARG HG3 . . 5.220 4.326 3.964 4.582 . 0 0 "[ . 1 . 2]" 2 533 1 43 ALA H 1 44 ALA HA . . 5.370 5.236 5.171 5.299 . 0 0 "[ . 1 . 2]" 2 534 1 44 ALA HA 1 47 SER H . . 3.950 3.646 3.603 3.692 . 0 0 "[ . 1 . 2]" 2 535 1 50 SER H 1 51 PRO HG3 . . 5.500 4.997 4.250 5.501 0.001 18 0 "[ . 1 . 2]" 2 536 1 51 PRO HG3 1 60 ILE MD . . 4.840 4.706 4.511 4.801 . 0 0 "[ . 1 . 2]" 2 537 1 54 THR MG 1 55 ALA HA . . 4.470 2.767 2.711 2.837 . 0 0 "[ . 1 . 2]" 2 538 1 46 LEU HA 1 51 PRO HG3 . . 3.540 2.006 1.996 2.081 . 0 0 "[ . 1 . 2]" 2 539 1 46 LEU HB3 1 51 PRO HG3 . . 4.280 3.706 3.620 3.858 . 0 0 "[ . 1 . 2]" 2 540 1 51 PRO HG3 1 61 VAL MG2 . . 4.410 4.065 3.975 4.167 . 0 0 "[ . 1 . 2]" 2 541 1 50 SER HA 1 51 PRO HG3 . . 4.760 4.719 4.607 4.766 0.006 6 0 "[ . 1 . 2]" 2 542 1 51 PRO HG3 1 60 ILE HG13 . . 5.410 5.120 5.006 5.219 . 0 0 "[ . 1 . 2]" 2 543 1 53 CYS HA 1 60 ILE HG13 . . 4.500 3.829 3.718 3.967 . 0 0 "[ . 1 . 2]" 2 544 1 60 ILE HG13 1 60 ILE MG . . 3.570 3.182 3.179 3.193 . 0 0 "[ . 1 . 2]" 2 545 1 53 CYS HB3 1 60 ILE HG13 . . 4.830 4.710 4.553 4.832 0.002 9 0 "[ . 1 . 2]" 2 546 1 53 CYS H 1 60 ILE HG13 . . 4.260 3.961 3.865 4.090 . 0 0 "[ . 1 . 2]" 2 547 1 60 ILE HA 1 60 ILE HG13 . . 3.740 3.321 3.279 3.369 . 0 0 "[ . 1 . 2]" 2 548 1 22 HIS HB3 1 23 LEU H . . 4.830 4.650 4.630 4.655 . 0 0 "[ . 1 . 2]" 2 549 1 22 HIS H 1 22 HIS HB3 . . 4.030 3.741 3.717 3.794 . 0 0 "[ . 1 . 2]" 2 550 1 17 LYS HB3 1 22 HIS HB3 . . 5.500 5.331 5.246 5.356 . 0 0 "[ . 1 . 2]" 2 551 1 17 LYS HG3 1 22 HIS HB3 . . 4.940 2.990 2.861 3.023 . 0 0 "[ . 1 . 2]" 2 552 1 28 PRO HG3 1 29 LYS H . . 4.660 4.507 4.504 4.512 . 0 0 "[ . 1 . 2]" 2 553 1 28 PRO HG3 1 36 ARG HB3 . . 4.120 2.809 2.121 3.248 . 0 0 "[ . 1 . 2]" 2 554 1 16 TYR H 1 28 PRO HG3 . . 5.500 5.023 4.606 5.503 0.003 16 0 "[ . 1 . 2]" 2 555 1 21 CYS H 1 23 LEU HG . . 5.500 5.426 5.189 5.504 0.004 10 0 "[ . 1 . 2]" 2 556 1 23 LEU HA 1 23 LEU HG . . 3.710 2.791 2.424 3.622 . 0 0 "[ . 1 . 2]" 2 557 1 23 LEU HG 1 25 LEU MD2 . . 4.600 4.342 3.819 4.602 0.002 13 0 "[ . 1 . 2]" 2 558 1 25 LEU MD1 1 28 PRO HG3 . . 4.160 3.380 3.062 3.545 . 0 0 "[ . 1 . 2]" 2 559 1 23 LEU H 1 23 LEU HG . . 3.800 3.485 3.333 3.787 . 0 0 "[ . 1 . 2]" 2 560 1 44 ALA MB 1 45 LEU HG . . 3.680 3.228 3.091 3.376 . 0 0 "[ . 1 . 2]" 2 561 1 25 LEU HA 1 25 LEU HG . . 4.210 3.482 3.423 3.508 . 0 0 "[ . 1 . 2]" 2 562 1 18 CYS H 1 25 LEU HG . . 4.460 3.085 2.678 3.265 . 0 0 "[ . 1 . 2]" 2 563 1 18 CYS H 1 25 LEU MD1 . . 4.050 3.310 2.932 3.487 . 0 0 "[ . 1 . 2]" 2 564 1 25 LEU MD1 1 29 LYS H . . 4.430 3.729 3.588 3.993 . 0 0 "[ . 1 . 2]" 2 565 1 25 LEU H 1 25 LEU MD1 . . 3.810 3.537 3.502 3.584 . 0 0 "[ . 1 . 2]" 2 566 1 24 VAL HA 1 25 LEU MD1 . . 5.120 4.830 4.763 4.877 . 0 0 "[ . 1 . 2]" 2 567 1 25 LEU MD1 1 38 CYS HB3 . . 3.600 2.939 2.659 3.223 . 0 0 "[ . 1 . 2]" 2 568 1 23 LEU HB3 1 25 LEU MD1 . . 4.430 4.342 4.120 4.429 . 0 0 "[ . 1 . 2]" 2 569 1 25 LEU HB3 1 25 LEU MD1 . . 3.000 2.654 2.548 2.714 . 0 0 "[ . 1 . 2]" 2 570 1 25 LEU MD1 1 38 CYS H . . 4.490 3.760 3.357 3.929 . 0 0 "[ . 1 . 2]" 2 571 1 17 LYS H 1 25 LEU MD1 . . 4.440 4.099 3.800 4.253 . 0 0 "[ . 1 . 2]" 2 572 1 25 LEU HA 1 25 LEU MD1 . . 4.340 4.107 4.088 4.118 . 0 0 "[ . 1 . 2]" 2 573 1 42 MET HA 1 46 LEU HG . . 4.870 3.880 3.759 4.056 . 0 0 "[ . 1 . 2]" 2 574 1 46 LEU HA 1 46 LEU HG . . 3.540 3.064 2.985 3.169 . 0 0 "[ . 1 . 2]" 2 575 1 42 MET HG3 1 46 LEU HG . . 3.990 3.117 2.840 3.492 . 0 0 "[ . 1 . 2]" 2 576 1 46 LEU HG 1 60 ILE MD . . 4.880 3.992 3.803 4.208 . 0 0 "[ . 1 . 2]" 2 577 1 41 CYS HB3 1 45 LEU HG . . 4.880 3.668 3.594 3.788 . 0 0 "[ . 1 . 2]" 2 578 1 45 LEU H 1 45 LEU HG . . 3.230 2.099 1.948 2.248 . 0 0 "[ . 1 . 2]" 2 579 1 57 GLN HB3 1 58 GLU H . . 4.870 4.023 3.839 4.243 . 0 0 "[ . 1 . 2]" 2 580 1 20 LYS HA 1 20 LYS HG3 . . 3.410 2.242 2.210 2.294 . 0 0 "[ . 1 . 2]" 2 581 1 20 LYS HG3 1 45 LEU MD2 . . 4.910 4.395 4.157 4.666 . 0 0 "[ . 1 . 2]" 2 582 1 20 LYS HG3 1 21 CYS H . . 4.840 4.738 4.700 4.766 . 0 0 "[ . 1 . 2]" 2 583 1 42 MET HB3 1 46 LEU MD1 . . 4.390 4.235 4.067 4.391 0.001 4 0 "[ . 1 . 2]" 2 584 1 43 ALA HA 1 46 LEU MD1 . . 3.420 2.291 1.981 2.670 . 0 0 "[ . 1 . 2]" 2 585 1 42 MET HG3 1 46 LEU MD1 . . 3.300 2.139 1.932 2.441 . 0 0 "[ . 1 . 2]" 2 586 1 46 LEU HB3 1 46 LEU MD1 . . 2.970 2.447 2.306 2.540 . 0 0 "[ . 1 . 2]" 2 587 1 10 LYS HA 1 10 LYS HG3 . . 4.120 2.757 2.041 3.815 . 0 0 "[ . 1 . 2]" 2 588 1 15 LYS HG3 1 16 TYR H . . 4.930 4.289 3.348 4.905 . 0 0 "[ . 1 . 2]" 2 589 1 17 LYS HG3 1 18 CYS H . . 4.380 3.759 3.743 3.856 . 0 0 "[ . 1 . 2]" 2 590 1 17 LYS HG3 1 23 LEU H . . 4.220 4.199 4.135 4.242 0.022 19 0 "[ . 1 . 2]" 2 591 1 17 LYS HG3 1 22 HIS HA . . 4.110 2.421 2.400 2.443 . 0 0 "[ . 1 . 2]" 2 592 1 17 LYS HG3 1 24 VAL HA . . 4.260 3.968 3.856 4.013 . 0 0 "[ . 1 . 2]" 2 593 1 23 LEU HA 1 23 LEU MD1 . . 3.730 3.426 2.640 3.771 0.041 16 0 "[ . 1 . 2]" 2 594 1 23 LEU MD1 1 38 CYS HB3 . . 4.950 3.502 3.012 4.397 . 0 0 "[ . 1 . 2]" 2 595 1 23 LEU HB3 1 23 LEU MD1 . . 3.150 2.449 2.148 2.572 . 0 0 "[ . 1 . 2]" 2 596 1 62 LYS HA 1 62 LYS HG3 . . 4.010 3.917 3.762 4.012 0.002 3 0 "[ . 1 . 2]" 2 597 1 62 LYS H 1 62 LYS HG3 . . 4.620 3.374 2.851 3.645 . 0 0 "[ . 1 . 2]" 2 598 1 46 LEU MD1 1 62 LYS HG3 . . 4.800 4.795 4.757 4.801 0.001 14 0 "[ . 1 . 2]" 2 599 1 52 LYS HG3 1 53 CYS H . . 4.850 3.845 3.642 4.211 . 0 0 "[ . 1 . 2]" 2 600 1 52 LYS H 1 52 LYS HG3 . . 4.340 2.412 2.200 2.899 . 0 0 "[ . 1 . 2]" 2 601 1 52 LYS HG3 1 59 SER HA . . 4.750 4.515 3.961 4.753 0.003 19 0 "[ . 1 . 2]" 2 602 1 52 LYS HG3 1 57 GLN HA . . 4.890 4.696 4.597 4.913 0.023 18 0 "[ . 1 . 2]" 2 603 1 61 VAL HB 1 64 LYS HG3 . . 3.990 2.442 2.021 2.969 . 0 0 "[ . 1 . 2]" 2 604 1 61 VAL MG1 1 64 LYS HG3 . . 4.010 3.172 2.632 3.773 . 0 0 "[ . 1 . 2]" 2 605 1 15 LYS H 1 15 LYS HG3 . . 4.390 3.022 2.395 3.881 . 0 0 "[ . 1 . 2]" 2 606 1 64 LYS HA 1 64 LYS HG3 . . 3.900 3.871 3.719 3.901 0.001 18 0 "[ . 1 . 2]" 2 607 1 18 CYS HB3 1 23 LEU MD1 . . 5.340 4.276 3.895 5.127 . 0 0 "[ . 1 . 2]" 2 608 1 29 LYS HG3 1 42 MET HG3 . . 4.480 3.921 3.676 4.166 . 0 0 "[ . 1 . 2]" 2 609 1 29 LYS HA 1 29 LYS HG3 . . 4.120 3.863 3.789 4.061 . 0 0 "[ . 1 . 2]" 2 610 1 42 MET H 1 45 LEU MD1 . . 5.020 4.684 4.477 4.841 . 0 0 "[ . 1 . 2]" 2 611 1 45 LEU H 1 45 LEU MD1 . . 3.840 3.532 3.484 3.613 . 0 0 "[ . 1 . 2]" 2 612 1 45 LEU MD1 1 52 LYS H . . 4.540 4.369 4.146 4.542 0.002 16 0 "[ . 1 . 2]" 2 613 1 37 PHE HZ 1 45 LEU MD1 . . 4.270 3.462 3.323 3.573 . 0 0 "[ . 1 . 2]" 2 614 1 37 PHE QE 1 45 LEU MD1 . . 3.820 2.977 2.858 3.118 . 0 0 "[ . 1 . 2]" 2 615 1 37 PHE QD 1 45 LEU MD1 . . 3.820 3.112 3.034 3.222 . 0 0 "[ . 1 . 2]" 2 616 1 45 LEU MD1 1 54 THR H . . 4.660 2.307 2.100 2.524 . 0 0 "[ . 1 . 2]" 2 617 1 42 MET HA 1 45 LEU MD1 . . 3.460 3.016 2.756 3.237 . 0 0 "[ . 1 . 2]" 2 618 1 45 LEU HA 1 45 LEU MD1 . . 4.090 3.901 3.865 3.925 . 0 0 "[ . 1 . 2]" 2 619 1 45 LEU MD1 1 53 CYS HA . . 4.020 2.654 2.551 2.905 . 0 0 "[ . 1 . 2]" 2 620 1 41 CYS HB3 1 45 LEU MD1 . . 4.300 3.470 3.198 3.624 . 0 0 "[ . 1 . 2]" 2 621 1 42 MET ME 1 45 LEU MD1 . . 3.480 2.769 2.524 3.131 . 0 0 "[ . 1 . 2]" 2 622 1 45 LEU MD1 1 60 ILE HB . . 5.340 4.152 3.918 4.492 . 0 0 "[ . 1 . 2]" 2 623 1 31 THR MG 1 45 LEU MD1 . . 4.540 3.921 3.820 4.045 . 0 0 "[ . 1 . 2]" 2 624 1 45 LEU MD1 1 60 ILE HG13 . . 5.250 4.175 4.093 4.378 . 0 0 "[ . 1 . 2]" 2 625 1 45 LEU HB3 1 45 LEU MD1 . . 3.220 2.452 2.398 2.479 . 0 0 "[ . 1 . 2]" 2 626 1 45 LEU MD1 1 60 ILE MD . . 3.170 1.802 1.700 2.005 . 0 0 "[ . 1 . 2]" 2 627 1 29 LYS HG3 1 39 GLU H . . 5.500 5.272 4.659 5.477 . 0 0 "[ . 1 . 2]" 2 628 1 29 LYS H 1 29 LYS HG3 . . 4.460 3.978 3.725 4.090 . 0 0 "[ . 1 . 2]" 2 629 1 29 LYS HG3 1 42 MET HB3 . . 4.370 3.507 3.192 3.629 . 0 0 "[ . 1 . 2]" 2 630 1 25 LEU MD2 1 39 GLU H . . 4.370 4.006 3.906 4.128 . 0 0 "[ . 1 . 2]" 2 631 1 25 LEU H 1 25 LEU MD2 . . 3.510 3.038 2.998 3.251 . 0 0 "[ . 1 . 2]" 2 632 1 23 LEU H 1 25 LEU MD2 . . 4.810 3.885 3.805 3.998 . 0 0 "[ . 1 . 2]" 2 633 1 24 VAL H 1 25 LEU MD2 . . 5.060 3.784 3.720 3.953 . 0 0 "[ . 1 . 2]" 2 634 1 25 LEU HA 1 25 LEU MD2 . . 3.180 2.998 2.790 3.095 . 0 0 "[ . 1 . 2]" 2 635 1 24 VAL HA 1 25 LEU MD2 . . 4.180 3.643 3.540 3.813 . 0 0 "[ . 1 . 2]" 2 636 1 25 LEU MD2 1 38 CYS HB3 . . 3.250 2.224 2.152 2.326 . 0 0 "[ . 1 . 2]" 2 637 1 23 LEU HB3 1 25 LEU MD2 . . 3.910 2.035 1.899 2.137 . 0 0 "[ . 1 . 2]" 2 638 1 18 CYS H 1 25 LEU MD2 . . 3.670 2.854 2.740 3.021 . 0 0 "[ . 1 . 2]" 2 639 1 25 LEU MD2 1 37 PHE HA . . 5.140 4.920 4.812 5.096 . 0 0 "[ . 1 . 2]" 2 640 1 31 THR H 1 31 THR MG . . 3.250 2.138 1.922 2.726 . 0 0 "[ . 1 . 2]" 2 641 1 31 THR MG 1 34 GLY H . . 4.340 4.260 4.174 4.342 0.002 6 0 "[ . 1 . 2]" 2 642 1 31 THR MG 1 37 PHE QE . . 3.620 3.336 2.709 3.585 . 0 0 "[ . 1 . 2]" 2 643 1 30 GLN HA 1 31 THR MG . . 4.060 3.575 3.142 3.690 . 0 0 "[ . 1 . 2]" 2 644 1 31 THR MG 1 36 ARG HA . . 4.680 3.491 3.262 3.784 . 0 0 "[ . 1 . 2]" 2 645 1 31 THR MG 1 53 CYS HA . . 4.590 3.823 3.445 4.123 . 0 0 "[ . 1 . 2]" 2 646 1 31 THR MG 1 65 VAL HB . . 5.500 5.310 4.937 5.501 0.001 6 0 "[ . 1 . 2]" 2 647 1 31 THR MG 1 60 ILE MD . . 3.280 3.010 2.729 3.267 . 0 0 "[ . 1 . 2]" 2 648 1 29 LYS HA 1 31 THR MG . . 5.500 5.502 5.500 5.505 0.005 13 0 "[ . 1 . 2]" 2 649 1 23 LEU HA 1 23 LEU MD2 . . 3.730 2.270 1.936 2.524 . 0 0 "[ . 1 . 2]" 2 650 1 18 CYS HB3 1 23 LEU MD2 . . 5.340 4.816 3.858 5.205 . 0 0 "[ . 1 . 2]" 2 651 1 23 LEU HB3 1 23 LEU MD2 . . 3.150 2.475 2.072 3.126 . 0 0 "[ . 1 . 2]" 2 652 1 16 TYR QD 1 28 PRO HD3 . . 4.220 2.539 2.360 2.648 . 0 0 "[ . 1 . 2]" 2 653 1 16 TYR HB3 1 28 PRO HD3 . . 4.720 3.455 3.333 3.858 . 0 0 "[ . 1 . 2]" 2 654 1 50 SER H 1 51 PRO HD3 . . 4.560 2.720 1.960 3.237 . 0 0 "[ . 1 . 2]" 2 655 1 51 PRO HD3 1 61 VAL MG2 . . 5.500 5.495 5.425 5.503 0.003 20 0 "[ . 1 . 2]" 2 656 1 46 LEU MD2 1 51 PRO HD3 . . 4.820 4.670 4.412 4.821 0.001 13 0 "[ . 1 . 2]" 2 657 1 50 SER HA 1 51 PRO HD3 . . 3.030 2.982 2.844 3.038 0.008 6 0 "[ . 1 . 2]" 2 658 1 46 LEU HA 1 51 PRO HD3 . . 4.240 3.548 3.293 3.685 . 0 0 "[ . 1 . 2]" 2 659 1 53 CYS HA 1 54 THR MG . . 5.070 4.891 4.781 4.967 . 0 0 "[ . 1 . 2]" 2 660 1 54 THR MG 1 55 ALA H . . 4.210 2.320 2.055 2.561 . 0 0 "[ . 1 . 2]" 2 661 1 37 PHE QD 1 54 THR MG . . 4.830 4.316 4.222 4.397 . 0 0 "[ . 1 . 2]" 2 662 1 54 THR H 1 54 THR MG . . 3.560 3.501 3.417 3.561 0.001 12 0 "[ . 1 . 2]" 2 663 1 20 LYS HA 1 54 THR MG . . 3.700 2.687 2.514 2.871 . 0 0 "[ . 1 . 2]" 2 664 1 20 LYS HB3 1 54 THR MG . . 4.770 4.514 4.409 4.580 . 0 0 "[ . 1 . 2]" 2 665 1 54 THR MG 1 55 ALA MB . . 4.590 3.202 3.058 3.359 . 0 0 "[ . 1 . 2]" 2 666 1 45 LEU MD1 1 54 THR MG . . 4.090 4.056 3.941 4.091 0.001 16 0 "[ . 1 . 2]" 2 667 1 45 LEU H 1 45 LEU MD2 . . 3.670 3.240 3.026 3.381 . 0 0 "[ . 1 . 2]" 2 668 1 45 LEU MD2 1 52 LYS H . . 4.420 4.191 3.969 4.406 . 0 0 "[ . 1 . 2]" 2 669 1 37 PHE QE 1 45 LEU MD2 . . 4.510 4.115 3.916 4.298 . 0 0 "[ . 1 . 2]" 2 670 1 45 LEU MD2 1 54 THR H . . 4.530 2.812 2.716 2.889 . 0 0 "[ . 1 . 2]" 2 671 1 45 LEU MD2 1 51 PRO HA . . 4.350 4.136 3.817 4.319 . 0 0 "[ . 1 . 2]" 2 672 1 45 LEU HA 1 45 LEU MD2 . . 2.700 2.135 1.981 2.307 . 0 0 "[ . 1 . 2]" 2 673 1 45 LEU MD2 1 53 CYS HA . . 4.110 4.083 3.899 4.111 0.001 6 0 "[ . 1 . 2]" 2 674 1 41 CYS HB3 1 45 LEU MD2 . . 4.500 4.314 4.037 4.489 . 0 0 "[ . 1 . 2]" 2 675 1 46 LEU H 1 46 LEU MD2 . . 3.560 3.287 3.046 3.476 . 0 0 "[ . 1 . 2]" 2 676 1 46 LEU MD2 1 61 VAL HA . . 4.070 2.275 1.911 2.593 . 0 0 "[ . 1 . 2]" 2 677 1 46 LEU HA 1 46 LEU MD2 . . 2.650 2.194 2.042 2.361 . 0 0 "[ . 1 . 2]" 2 678 1 42 MET HG3 1 46 LEU MD2 . . 4.140 3.924 3.676 4.141 0.001 13 0 "[ . 1 . 2]" 2 679 1 46 LEU MD2 1 51 PRO HB3 . . 3.490 3.272 2.998 3.491 0.001 15 0 "[ . 1 . 2]" 2 680 1 46 LEU MD2 1 51 PRO HG3 . . 3.640 2.704 2.388 2.900 . 0 0 "[ . 1 . 2]" 2 681 1 46 LEU MD2 1 60 ILE HB . . 3.440 2.052 1.912 2.338 . 0 0 "[ . 1 . 2]" 2 682 1 46 LEU MD2 1 60 ILE MD . . 3.650 3.412 3.053 3.650 0.000 5 0 "[ . 1 . 2]" 2 683 1 18 CYS H 1 24 VAL MG2 . . 4.970 4.873 4.730 4.973 0.003 16 0 "[ . 1 . 2]" 2 684 1 24 VAL H 1 24 VAL MG2 . . 3.110 2.457 2.129 2.631 . 0 0 "[ . 1 . 2]" 2 685 1 24 VAL HA 1 24 VAL MG2 . . 2.990 2.249 2.124 2.393 . 0 0 "[ . 1 . 2]" 2 686 1 23 LEU HA 1 24 VAL MG2 . . 4.160 3.969 3.701 4.165 0.005 16 0 "[ . 1 . 2]" 2 687 1 11 THR HA 1 11 THR MG . . 3.070 2.257 1.965 3.082 0.012 7 0 "[ . 1 . 2]" 2 688 1 11 THR H 1 11 THR MG . . 4.440 3.493 1.800 3.947 . 0 0 "[ . 1 . 2]" 2 689 1 61 VAL MG1 1 63 ASP H . . 3.530 1.991 1.825 2.184 . 0 0 "[ . 1 . 2]" 2 690 1 61 VAL H 1 61 VAL MG1 . . 3.950 3.859 3.769 3.909 . 0 0 "[ . 1 . 2]" 2 691 1 61 VAL MG1 1 63 ASP HA . . 4.500 3.893 3.742 4.061 . 0 0 "[ . 1 . 2]" 2 692 1 61 VAL HA 1 61 VAL MG1 . . 2.950 2.397 2.291 2.490 . 0 0 "[ . 1 . 2]" 2 693 1 61 VAL MG1 1 62 LYS HA . . 4.550 4.169 3.980 4.354 . 0 0 "[ . 1 . 2]" 2 694 1 61 VAL MG1 1 63 ASP HB3 . . 4.210 2.785 1.989 3.874 . 0 0 "[ . 1 . 2]" 2 695 1 29 LYS HA 1 65 VAL MG1 . . 5.200 2.552 2.349 2.891 . 0 0 "[ . 1 . 2]" 2 696 1 15 LYS HE3 1 24 VAL MG1 . . 4.590 2.387 1.841 4.150 . 0 0 "[ . 1 . 2]" 2 697 1 24 VAL MG1 1 25 LEU H . . 3.290 2.875 2.678 3.048 . 0 0 "[ . 1 . 2]" 2 698 1 23 LEU HA 1 24 VAL MG1 . . 5.500 5.440 5.398 5.474 . 0 0 "[ . 1 . 2]" 2 699 1 15 LYS HA 1 24 VAL MG1 . . 5.040 4.680 4.140 4.907 . 0 0 "[ . 1 . 2]" 2 700 1 24 VAL HA 1 24 VAL MG1 . . 3.040 2.459 2.315 2.540 . 0 0 "[ . 1 . 2]" 2 701 1 30 GLN H 1 65 VAL MG1 . . 5.500 4.220 2.669 4.874 . 0 0 "[ . 1 . 2]" 2 702 1 30 GLN H 1 65 VAL MG2 . . 5.500 4.299 3.908 5.500 . 0 0 "[ . 1 . 2]" 2 703 1 29 LYS HA 1 65 VAL MG2 . . 5.200 3.553 3.254 4.975 . 0 0 "[ . 1 . 2]" 2 704 1 9 VAL MG1 1 10 LYS HA . . 4.490 3.933 3.176 4.424 . 0 0 "[ . 1 . 2]" 2 705 1 61 VAL MG2 1 62 LYS H . . 4.210 3.940 3.803 4.095 . 0 0 "[ . 1 . 2]" 2 706 1 61 VAL H 1 61 VAL MG2 . . 3.240 3.097 2.906 3.242 0.002 18 0 "[ . 1 . 2]" 2 707 1 61 VAL MG2 1 64 LYS H . . 4.350 4.150 3.948 4.344 . 0 0 "[ . 1 . 2]" 2 708 1 60 ILE H 1 61 VAL MG2 . . 4.620 3.580 3.296 3.776 . 0 0 "[ . 1 . 2]" 2 709 1 9 VAL HA 1 9 VAL MG2 . . 3.420 2.278 2.083 2.470 . 0 0 "[ . 1 . 2]" 2 710 1 59 SER HA 1 61 VAL MG2 . . 4.850 4.551 4.300 4.711 . 0 0 "[ . 1 . 2]" 2 711 1 9 VAL MG2 1 10 LYS HA . . 4.490 3.818 3.307 4.489 . 0 0 "[ . 1 . 2]" 2 712 1 61 VAL HA 1 61 VAL MG2 . . 2.840 2.245 2.130 2.383 . 0 0 "[ . 1 . 2]" 2 713 1 35 HIS HD2 1 36 ARG H . . 4.160 3.947 3.781 4.160 . 0 0 "[ . 1 . 2]" 2 714 1 35 HIS HB3 1 35 HIS HD2 . . 3.860 2.877 2.846 2.913 . 0 0 "[ . 1 . 2]" 2 715 1 19 GLU HG3 1 35 HIS HD2 . . 4.210 2.088 1.999 2.264 . 0 0 "[ . 1 . 2]" 2 716 1 35 HIS HD2 1 55 ALA MB . . 3.790 2.567 2.330 2.809 . 0 0 "[ . 1 . 2]" 2 717 1 22 HIS HA 1 22 HIS HD2 . . 3.740 3.292 3.152 3.331 . 0 0 "[ . 1 . 2]" 2 718 1 21 CYS HA 1 22 HIS HD2 . . 4.810 3.698 3.646 3.890 . 0 0 "[ . 1 . 2]" 2 719 1 16 TYR H 1 16 TYR QE . . 4.790 4.435 3.811 4.680 . 0 0 "[ . 1 . 2]" 2 720 1 16 TYR QE 1 36 ARG HD3 . . 4.080 3.405 2.868 3.611 . 0 0 "[ . 1 . 2]" 2 721 1 16 TYR QE 1 28 PRO HG3 . . 4.380 4.294 4.170 4.398 0.018 17 0 "[ . 1 . 2]" 2 722 1 35 HIS HE1 1 56 CYS HA . . 4.520 4.404 4.267 4.514 . 0 0 "[ . 1 . 2]" 2 723 1 35 HIS HE1 1 56 CYS HB3 . . 2.990 2.277 2.084 2.345 . 0 0 "[ . 1 . 2]" 2 724 1 37 PHE HA 1 38 CYS H . . 3.070 2.462 2.393 2.502 . 0 0 "[ . 1 . 2]" 2 725 1 20 LYS H 1 37 PHE HA . . 4.740 4.172 4.103 4.232 . 0 0 "[ . 1 . 2]" 2 726 1 19 GLU H 1 37 PHE HA . . 3.580 2.228 2.185 2.318 . 0 0 "[ . 1 . 2]" 2 727 1 37 PHE HA 1 37 PHE QD . . 3.540 3.013 2.932 3.058 . 0 0 "[ . 1 . 2]" 2 728 1 18 CYS HA 1 37 PHE HA . . 3.290 2.063 1.998 2.309 . 0 0 "[ . 1 . 2]" 2 729 1 37 PHE HA 1 38 CYS HB3 . . 4.480 4.381 4.365 4.394 . 0 0 "[ . 1 . 2]" 2 730 1 36 ARG HB3 1 37 PHE HA . . 4.740 4.256 4.138 4.360 . 0 0 "[ . 1 . 2]" 2 731 1 25 LEU MD1 1 37 PHE HA . . 4.580 3.832 3.527 3.933 . 0 0 "[ . 1 . 2]" 2 732 1 16 TYR H 1 16 TYR QD . . 3.670 2.521 1.957 2.963 . 0 0 "[ . 1 . 2]" 2 733 1 16 TYR HA 1 16 TYR QD . . 3.230 2.720 2.091 3.126 . 0 0 "[ . 1 . 2]" 2 734 1 15 LYS HA 1 16 TYR QD . . 4.170 3.322 3.173 3.553 . 0 0 "[ . 1 . 2]" 2 735 1 16 TYR QD 1 36 ARG HD3 . . 3.550 2.025 1.998 2.116 . 0 0 "[ . 1 . 2]" 2 736 1 16 TYR QD 1 28 PRO HG3 . . 4.020 2.626 2.121 2.951 . 0 0 "[ . 1 . 2]" 2 737 1 16 TYR QD 1 36 ARG HG3 . . 4.870 4.616 4.467 4.873 0.003 16 0 "[ . 1 . 2]" 2 738 1 16 TYR QD 1 36 ARG HB3 . . 4.710 4.477 3.954 4.714 0.004 11 0 "[ . 1 . 2]" 2 739 1 16 TYR QD 1 25 LEU MD1 . . 4.710 4.644 4.411 4.712 0.002 6 0 "[ . 1 . 2]" 2 740 1 66 PHE HA 1 66 PHE QD . . 4.280 3.038 2.032 3.693 . 0 0 "[ . 1 . 2]" 2 741 1 65 VAL MG1 1 66 PHE QD . . 5.500 4.172 2.015 4.745 . 0 0 "[ . 1 . 2]" 2 742 1 65 VAL MG2 1 66 PHE QD . . 5.500 4.667 3.777 5.316 . 0 0 "[ . 1 . 2]" 2 743 1 66 PHE H 1 66 PHE QD . . 4.200 2.920 1.917 3.878 . 0 0 "[ . 1 . 2]" 2 744 1 36 ARG HA 1 37 PHE QD . . 4.420 3.240 3.118 3.330 . 0 0 "[ . 1 . 2]" 2 745 1 37 PHE QD 1 41 CYS HB3 . . 3.590 2.516 2.427 2.899 . 0 0 "[ . 1 . 2]" 2 746 1 31 THR MG 1 37 PHE QD . . 3.360 2.765 2.304 3.064 . 0 0 "[ . 1 . 2]" 2 747 1 37 PHE QE 1 55 ALA H . . 4.200 3.029 2.908 3.311 . 0 0 "[ . 1 . 2]" 2 748 1 19 GLU H 1 37 PHE QE . . 4.830 4.002 3.912 4.064 . 0 0 "[ . 1 . 2]" 2 749 1 37 PHE H 1 37 PHE QE . . 5.500 5.371 5.241 5.437 . 0 0 "[ . 1 . 2]" 2 750 1 37 PHE HA 1 37 PHE QE . . 4.820 4.575 4.554 4.598 . 0 0 "[ . 1 . 2]" 2 751 1 20 LYS HA 1 37 PHE QE . . 4.730 3.365 3.256 3.644 . 0 0 "[ . 1 . 2]" 2 752 1 37 PHE QE 1 41 CYS HB3 . . 5.250 3.899 3.764 4.407 . 0 0 "[ . 1 . 2]" 2 753 1 37 PHE QE 1 54 THR MG . . 3.340 2.416 2.299 2.508 . 0 0 "[ . 1 . 2]" 2 754 1 8 PHE HA 1 8 PHE QD . . 4.330 2.691 2.026 3.671 . 0 0 "[ . 1 . 2]" 2 755 1 19 GLU H 1 37 PHE QD . . 4.410 3.418 3.304 3.455 . 0 0 "[ . 1 . 2]" 2 756 1 18 CYS HA 1 37 PHE QD . . 4.760 4.427 4.309 4.538 . 0 0 "[ . 1 . 2]" 2 757 1 37 PHE QD 1 54 THR HB . . 5.120 4.357 4.251 4.473 . 0 0 "[ . 1 . 2]" 2 758 1 35 HIS HB3 1 37 PHE QD . . 4.500 4.083 3.874 4.292 . 0 0 "[ . 1 . 2]" 2 759 1 37 PHE QD 1 45 LEU MD2 . . 4.970 4.810 4.625 4.970 . 0 0 "[ . 1 . 2]" 2 760 1 19 GLU HA 1 37 PHE QD . . 5.420 5.279 5.120 5.359 . 0 0 "[ . 1 . 2]" 2 761 1 37 PHE HZ 1 55 ALA H . . 4.190 1.897 1.891 1.901 . 0 0 "[ . 1 . 2]" 2 762 1 19 GLU HG3 1 37 PHE HZ . . 4.500 4.486 4.331 4.502 0.002 9 0 "[ . 1 . 2]" 2 763 1 37 PHE HZ 1 54 THR H . . 3.810 2.884 2.753 2.966 . 0 0 "[ . 1 . 2]" 2 764 1 35 HIS HB3 1 37 PHE HZ . . 4.710 4.571 3.850 4.711 0.001 18 0 "[ . 1 . 2]" 2 765 1 37 PHE HZ 1 54 THR MG . . 4.150 2.060 1.964 2.656 . 0 0 "[ . 1 . 2]" 2 766 1 42 MET ME 1 42 MET HG3 . . 3.630 2.967 2.678 3.361 . 0 0 "[ . 1 . 2]" 2 767 1 42 MET HB3 1 42 MET ME . . 3.430 3.308 3.244 3.375 . 0 0 "[ . 1 . 2]" 2 768 1 31 THR MG 1 42 MET ME . . 2.900 2.447 2.268 2.512 . 0 0 "[ . 1 . 2]" 2 769 1 42 MET ME 1 60 ILE HB . . 5.430 3.944 3.482 4.617 . 0 0 "[ . 1 . 2]" 2 770 1 25 LEU MD1 1 38 CYS HA . . 3.860 2.078 1.979 2.358 . 0 0 "[ . 1 . 2]" 2 771 1 46 LEU MD2 1 62 LYS HA . . 3.800 3.755 3.477 3.802 0.002 15 0 "[ . 1 . 2]" 2 772 1 30 GLN HA 1 36 ARG HG3 . . 4.820 2.769 2.304 3.440 . 0 0 "[ . 1 . 2]" 2 773 1 31 THR HA 1 31 THR MG . . 3.130 2.442 2.384 2.504 . 0 0 "[ . 1 . 2]" 2 774 1 29 LYS HB3 1 30 GLN H . . 4.530 4.417 4.176 4.473 . 0 0 "[ . 1 . 2]" 2 775 1 20 LYS HA 1 37 PHE QD . . 4.880 4.594 4.498 4.697 . 0 0 "[ . 1 . 2]" 2 776 1 18 CYS HB3 1 25 LEU MD1 . . 4.410 4.238 3.744 4.411 0.001 2 0 "[ . 1 . 2]" 2 777 1 20 LYS HD3 1 37 PHE QE . . 4.540 3.725 3.589 4.214 . 0 0 "[ . 1 . 2]" 2 778 1 20 LYS H 1 20 LYS HD3 . . 5.500 5.500 5.472 5.508 0.008 10 0 "[ . 1 . 2]" 2 779 1 51 PRO HG3 1 60 ILE HB . . 4.550 3.903 3.679 4.000 . 0 0 "[ . 1 . 2]" 2 780 1 39 GLU HA 1 39 GLU HG3 . . 3.560 2.985 2.741 3.164 . 0 0 "[ . 1 . 2]" 2 781 1 39 GLU HA 1 42 MET HB3 . . 3.370 2.710 2.668 2.760 . 0 0 "[ . 1 . 2]" 2 782 1 39 GLU HA 1 43 ALA MB . . 5.070 4.439 4.300 4.559 . 0 0 "[ . 1 . 2]" 2 783 1 18 CYS HB3 1 21 CYS HB3 . . 5.330 5.078 5.029 5.141 . 0 0 "[ . 1 . 2]" 2 784 1 25 LEU MD2 1 38 CYS HA . . 3.330 3.033 2.913 3.168 . 0 0 "[ . 1 . 2]" 2 785 1 25 LEU HB3 1 25 LEU MD2 . . 3.180 2.148 2.100 2.219 . 0 0 "[ . 1 . 2]" 2 786 1 28 PRO HA 1 29 LYS HG3 . . 5.210 5.038 4.734 5.215 0.005 15 0 "[ . 1 . 2]" 2 787 1 30 GLN HA 1 36 ARG HA . . 4.030 2.634 2.445 2.835 . 0 0 "[ . 1 . 2]" 2 788 1 30 GLN HG3 1 34 GLY HA3 . . 5.500 5.264 4.897 5.502 0.002 19 0 "[ . 1 . 2]" 2 789 1 36 ARG HA 1 36 ARG HG3 . . 3.950 2.597 2.455 2.776 . 0 0 "[ . 1 . 2]" 2 790 1 39 GLU HB3 1 40 SER HA . . 4.480 3.878 3.783 3.998 . 0 0 "[ . 1 . 2]" 2 791 1 42 MET HG3 1 65 VAL MG1 . . 5.180 4.783 4.274 5.181 0.001 16 0 "[ . 1 . 2]" 2 792 1 42 MET HG3 1 65 VAL MG2 . . 5.180 4.562 4.282 5.025 . 0 0 "[ . 1 . 2]" 2 793 1 29 LYS HB3 1 42 MET HG3 . . 5.120 4.972 4.823 5.127 0.007 19 0 "[ . 1 . 2]" 2 794 1 42 MET HB3 1 43 ALA MB . . 4.110 3.876 3.802 3.950 . 0 0 "[ . 1 . 2]" 2 795 1 42 MET HG3 1 43 ALA MB . . 4.350 4.072 3.782 4.285 . 0 0 "[ . 1 . 2]" 2 796 1 45 LEU HB3 1 45 LEU MD2 . . 3.230 2.278 2.210 2.367 . 0 0 "[ . 1 . 2]" 2 797 1 42 MET HG3 1 46 LEU HB3 . . 5.500 5.414 5.185 5.503 0.003 6 0 "[ . 1 . 2]" 2 798 1 45 LEU MD1 1 54 THR HB . . 4.970 2.868 2.667 3.032 . 0 0 "[ . 1 . 2]" 2 799 1 58 GLU HB3 1 59 SER H . . 4.160 2.351 1.961 2.718 . 0 0 "[ . 1 . 2]" 2 800 1 33 CYS HA 1 58 GLU HB3 . . 5.160 4.326 4.153 4.640 . 0 0 "[ . 1 . 2]" 2 801 1 46 LEU HB3 1 51 PRO HD3 . . 5.500 5.379 5.116 5.502 0.002 16 0 "[ . 1 . 2]" 2 802 1 7 GLY QA 1 8 PHE HA . . 4.600 3.988 3.940 4.105 . 0 0 "[ . 1 . 2]" 2 803 1 8 PHE HA 1 9 VAL QG . . 4.830 3.930 3.447 4.612 . 0 0 "[ . 1 . 2]" 2 804 1 9 VAL H 1 9 VAL QG . . 3.680 2.276 1.940 3.357 . 0 0 "[ . 1 . 2]" 2 805 1 9 VAL HA 1 9 VAL QG . . 2.850 2.229 2.053 2.388 . 0 0 "[ . 1 . 2]" 2 806 1 9 VAL QG 1 10 LYS H . . 4.270 2.472 1.802 3.300 . 0 0 "[ . 1 . 2]" 2 807 1 9 VAL QG 1 10 LYS HA . . 3.770 3.389 3.069 3.691 . 0 0 "[ . 1 . 2]" 2 808 1 11 THR HA 1 12 VAL QG . . 4.050 3.605 3.240 4.043 . 0 0 "[ . 1 . 2]" 2 809 1 11 THR HB 1 12 VAL QG . . 5.190 4.602 3.830 4.996 . 0 0 "[ . 1 . 2]" 2 810 1 12 VAL H 1 12 VAL QG . . 3.200 2.338 1.883 2.886 . 0 0 "[ . 1 . 2]" 2 811 1 12 VAL HA 1 12 VAL QG . . 2.960 2.198 2.012 2.399 . 0 0 "[ . 1 . 2]" 2 812 1 12 VAL QG 1 13 GLU H . . 3.850 2.941 2.514 3.580 . 0 0 "[ . 1 . 2]" 2 813 1 12 VAL QG 1 13 GLU HA . . 4.550 3.748 3.447 4.392 . 0 0 "[ . 1 . 2]" 2 814 1 12 VAL QG 1 14 ASP H . . 4.990 3.752 2.504 4.778 . 0 0 "[ . 1 . 2]" 2 815 1 12 VAL QG 1 14 ASP HA . . 4.860 4.512 4.145 4.857 . 0 0 "[ . 1 . 2]" 2 816 1 18 CYS HB3 1 23 LEU QD . . 4.580 3.813 3.742 3.835 . 0 0 "[ . 1 . 2]" 2 817 1 21 CYS HB3 1 23 LEU QD . . 4.470 3.560 3.492 3.585 . 0 0 "[ . 1 . 2]" 2 818 1 23 LEU H 1 23 LEU QD . . 3.730 3.137 2.374 3.456 . 0 0 "[ . 1 . 2]" 2 819 1 23 LEU HA 1 23 LEU QD . . 2.840 2.237 1.891 2.488 . 0 0 "[ . 1 . 2]" 2 820 1 23 LEU QD 1 24 VAL H . . 3.530 3.095 2.958 3.216 . 0 0 "[ . 1 . 2]" 2 821 1 23 LEU QD 1 38 CYS HB3 . . 4.160 3.386 2.977 4.098 . 0 0 "[ . 1 . 2]" 2 822 1 29 LYS H 1 65 VAL QG . . 5.280 4.148 4.009 4.241 . 0 0 "[ . 1 . 2]" 2 823 1 29 LYS HA 1 65 VAL QG . . 3.840 2.485 2.320 2.740 . 0 0 "[ . 1 . 2]" 2 824 1 29 LYS HB3 1 65 VAL QG . . 3.230 1.700 1.667 1.812 . 0 0 "[ . 1 . 2]" 2 825 1 30 GLN H 1 65 VAL QG . . 4.760 3.724 2.652 3.995 . 0 0 "[ . 1 . 2]" 2 826 1 30 GLN QE 1 34 GLY HA2 . . 4.210 2.608 1.919 3.421 . 0 0 "[ . 1 . 2]" 2 827 1 30 GLN QE 1 34 GLY HA3 . . 4.690 3.870 3.232 4.453 . 0 0 "[ . 1 . 2]" 2 828 1 31 THR MG 1 65 VAL QG . . 3.490 2.787 2.589 2.921 . 0 0 "[ . 1 . 2]" 2 829 1 42 MET HG3 1 65 VAL QG . . 4.380 4.139 3.871 4.373 . 0 0 "[ . 1 . 2]" 2 830 1 42 MET ME 1 65 VAL QG . . 3.270 2.990 2.698 3.215 . 0 0 "[ . 1 . 2]" 2 831 1 46 LEU HG 1 65 VAL QG . . 4.970 4.929 4.751 4.971 0.001 7 0 "[ . 1 . 2]" 2 832 1 60 ILE HA 1 65 VAL QG . . 3.860 3.580 2.892 3.852 . 0 0 "[ . 1 . 2]" 2 833 1 60 ILE MG 1 65 VAL QG . . 3.250 2.478 2.127 2.786 . 0 0 "[ . 1 . 2]" 2 834 1 62 LYS HA 1 65 VAL QG . . 3.440 2.596 2.286 2.844 . 0 0 "[ . 1 . 2]" 2 835 1 64 LYS H 1 65 VAL QG . . 4.420 4.313 3.550 4.421 0.001 10 0 "[ . 1 . 2]" 2 836 1 65 VAL H 1 65 VAL QG . . 3.530 2.902 2.457 3.002 . 0 0 "[ . 1 . 2]" 2 837 1 65 VAL HA 1 65 VAL QG . . 2.970 1.973 1.928 2.089 . 0 0 "[ . 1 . 2]" 2 838 1 65 VAL QG 1 66 PHE H . . 3.340 2.360 1.990 2.648 . 0 0 "[ . 1 . 2]" 2 839 1 65 VAL QG 1 66 PHE HA . . 4.400 3.226 2.853 3.942 . 0 0 "[ . 1 . 2]" 2 840 1 65 VAL QG 1 66 PHE QD . . 4.690 3.844 2.010 4.379 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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