NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
632168 | 6ba3 | 30352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ba3 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 12 _Distance_constraint_stats_list.Viol_count 220 _Distance_constraint_stats_list.Viol_total 1215.041 _Distance_constraint_stats_list.Viol_max 0.605 _Distance_constraint_stats_list.Viol_rms 0.1982 _Distance_constraint_stats_list.Viol_average_all_restraints 0.2531 _Distance_constraint_stats_list.Viol_average_violations_only 0.2761 _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 23 CYS 9.797 0.431 12 0 "[ . 1 . 2]" 1 30 CYS 16.111 0.603 14 17 "[** *******-* +* ****]" 1 36 CYS 15.879 0.605 11 8 "[ . * 1+ *.-****]" 1 37 CYS 9.797 0.431 12 0 "[ . 1 . 2]" 1 49 CYS 16.111 0.603 14 17 "[** *******-* +* ****]" 1 64 CYS 15.879 0.605 11 8 "[ . * 1+ *.-****]" 1 67 CYS 18.965 0.602 1 14 "[+***. ****- *****2]" 1 74 CYS 18.965 0.602 1 14 "[+***. ****- *****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 23 CYS SG 1 37 CYS SG . . 1.980 1.981 1.978 2.011 0.031 8 0 "[ . 1 . 2]" 1 2 1 23 CYS SG 1 37 CYS CB . . 2.900 3.249 2.997 3.331 0.431 12 0 "[ . 1 . 2]" 1 3 1 23 CYS CB 1 37 CYS SG . . 2.900 3.039 2.901 3.211 0.311 20 0 "[ . 1 . 2]" 1 4 1 30 CYS SG 1 49 CYS SG . . 1.980 2.133 2.131 2.136 0.156 20 0 "[ . 1 . 2]" 1 5 1 30 CYS SG 1 49 CYS CB . . 2.900 3.435 3.368 3.503 0.603 14 17 "[** *******-* +* ****]" 1 6 1 30 CYS CB 1 49 CYS SG . . 2.900 3.017 2.996 3.028 0.128 3 0 "[ . 1 . 2]" 1 7 1 36 CYS SG 1 64 CYS SG . . 1.980 2.015 1.977 2.123 0.143 20 0 "[ . 1 . 2]" 1 8 1 36 CYS SG 1 64 CYS CB . . 2.900 3.238 3.064 3.448 0.548 19 2 "[ . 1 .- +2]" 1 9 1 36 CYS CB 1 64 CYS SG . . 2.900 3.321 3.122 3.505 0.605 11 8 "[ . * 1+ *.****-]" 1 10 1 67 CYS SG 1 74 CYS SG . . 1.980 2.064 1.984 2.121 0.141 18 0 "[ . 1 . 2]" 1 11 1 67 CYS SG 1 74 CYS CB . . 2.900 3.315 2.993 3.495 0.595 18 7 "[ *. * - ***+ 2]" 1 12 1 67 CYS CB 1 74 CYS SG . . 2.900 3.350 3.070 3.502 0.602 1 9 "[+** . ***- .* *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 1076 _Distance_constraint_stats_list.Viol_count 1162 _Distance_constraint_stats_list.Viol_total 295.464 _Distance_constraint_stats_list.Viol_max 0.133 _Distance_constraint_stats_list.Viol_rms 0.0045 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0127 _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 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 ARG 0.036 0.008 12 0 "[ . 1 . 2]" 1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 ASN 0.032 0.004 3 0 "[ . 1 . 2]" 1 6 LEU 0.519 0.022 19 0 "[ . 1 . 2]" 1 7 GLY 0.029 0.011 20 0 "[ . 1 . 2]" 1 8 TYR 0.321 0.031 8 0 "[ . 1 . 2]" 1 9 GLY 0.040 0.008 13 0 "[ . 1 . 2]" 1 10 ILE 0.214 0.014 1 0 "[ . 1 . 2]" 1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 HIS 0.340 0.016 18 0 "[ . 1 . 2]" 1 13 LYS 0.098 0.028 14 0 "[ . 1 . 2]" 1 14 GLN 0.195 0.033 6 0 "[ . 1 . 2]" 1 15 VAL 0.215 0.022 18 0 "[ . 1 . 2]" 1 16 LYS 0.337 0.020 5 0 "[ . 1 . 2]" 1 17 LEU 2.109 0.058 4 0 "[ . 1 . 2]" 1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ASN 0.601 0.048 12 0 "[ . 1 . 2]" 1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 GLN 1.149 0.058 4 0 "[ . 1 . 2]" 1 22 LEU 0.548 0.020 5 0 "[ . 1 . 2]" 1 23 CYS 0.593 0.039 13 0 "[ . 1 . 2]" 1 24 LYS 0.861 0.052 8 0 "[ . 1 . 2]" 1 25 GLU 0.496 0.052 8 0 "[ . 1 . 2]" 1 26 PRO 0.083 0.017 12 0 "[ . 1 . 2]" 1 27 GLY 0.303 0.022 19 0 "[ . 1 . 2]" 1 28 ASP 0.080 0.014 20 0 "[ . 1 . 2]" 1 29 SER 0.627 0.044 20 0 "[ . 1 . 2]" 1 30 CYS 1.806 0.067 12 0 "[ . 1 . 2]" 1 31 SER 0.054 0.012 7 0 "[ . 1 . 2]" 1 32 LYS 0.054 0.012 7 0 "[ . 1 . 2]" 1 33 ARG 1.219 0.062 10 0 "[ . 1 . 2]" 1 34 ASP 0.037 0.008 9 0 "[ . 1 . 2]" 1 35 GLU 1.473 0.067 12 0 "[ . 1 . 2]" 1 36 CYS 0.923 0.049 19 0 "[ . 1 . 2]" 1 37 CYS 0.092 0.021 9 0 "[ . 1 . 2]" 1 38 LYS 0.179 0.039 13 0 "[ . 1 . 2]" 1 39 ALA 0.320 0.014 9 0 "[ . 1 . 2]" 1 40 ASP 0.110 0.012 20 0 "[ . 1 . 2]" 1 41 ASP 0.290 0.022 20 0 "[ . 1 . 2]" 1 42 GLN 0.180 0.019 14 0 "[ . 1 . 2]" 1 43 LYS 0.055 0.022 20 0 "[ . 1 . 2]" 1 44 THR 1.360 0.078 3 0 "[ . 1 . 2]" 1 45 TYR 1.491 0.078 3 0 "[ . 1 . 2]" 1 46 SER 0.025 0.014 8 0 "[ . 1 . 2]" 1 47 SER 0.068 0.008 16 0 "[ . 1 . 2]" 1 48 GLY 0.338 0.029 10 0 "[ . 1 . 2]" 1 49 CYS 1.336 0.062 10 0 "[ . 1 . 2]" 1 50 ALA 0.165 0.012 14 0 "[ . 1 . 2]" 1 51 GLN 0.013 0.005 1 0 "[ . 1 . 2]" 1 52 THR 0.064 0.005 20 0 "[ . 1 . 2]" 1 53 TRP 0.195 0.017 19 0 "[ . 1 . 2]" 1 54 SER 0.119 0.008 19 0 "[ . 1 . 2]" 1 55 ALA 0.009 0.003 13 0 "[ . 1 . 2]" 1 56 MET 0.006 0.003 13 0 "[ . 1 . 2]" 1 57 GLU 0.016 0.004 14 0 "[ . 1 . 2]" 1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 GLY 0.008 0.004 14 0 "[ . 1 . 2]" 1 60 PHE 0.135 0.011 13 0 "[ . 1 . 2]" 1 61 VAL 0.496 0.026 10 0 "[ . 1 . 2]" 1 62 ARG 0.112 0.026 10 0 "[ . 1 . 2]" 1 63 GLU 1.048 0.044 20 0 "[ . 1 . 2]" 1 64 CYS 0.039 0.014 20 0 "[ . 1 . 2]" 1 65 TYR 1.761 0.071 13 0 "[ . 1 . 2]" 1 66 ILE 1.398 0.071 13 0 "[ . 1 . 2]" 1 67 CYS 0.087 0.017 7 0 "[ . 1 . 2]" 1 68 ALA 0.441 0.048 7 0 "[ . 1 . 2]" 1 69 VAL 0.516 0.028 18 0 "[ . 1 . 2]" 1 70 GLU 0.464 0.044 7 0 "[ . 1 . 2]" 1 71 SER 0.162 0.044 7 0 "[ . 1 . 2]" 1 72 SER 0.006 0.003 20 0 "[ . 1 . 2]" 1 73 MET 0.155 0.048 7 0 "[ . 1 . 2]" 1 74 CYS 0.175 0.133 15 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 44 THR HA 1 44 THR MG . . 2.800 2.175 2.083 2.309 . 0 0 "[ . 1 . 2]" 2 2 1 52 THR HB 1 53 TRP HB3 . . 4.890 4.773 4.666 4.855 . 0 0 "[ . 1 . 2]" 2 3 1 52 THR HB 1 61 VAL MG2 . . 5.190 5.143 4.742 5.194 0.004 3 0 "[ . 1 . 2]" 2 4 1 52 THR H 1 52 THR HB . . 4.000 3.920 3.898 3.937 . 0 0 "[ . 1 . 2]" 2 5 1 6 LEU HB3 1 27 GLY HA3 . . 4.570 4.584 4.568 4.592 0.022 19 0 "[ . 1 . 2]" 2 6 1 57 GLU HA 1 59 GLY H . . 4.980 4.842 4.811 4.886 . 0 0 "[ . 1 . 2]" 2 7 1 57 GLU HA 1 57 GLU HB3 . . 2.880 2.404 2.382 2.413 . 0 0 "[ . 1 . 2]" 2 8 1 57 GLU HA 1 57 GLU QG . . 3.020 2.937 2.502 3.016 . 0 0 "[ . 1 . 2]" 2 9 1 6 LEU HB3 1 65 TYR HB2 . . 4.630 4.639 4.629 4.645 0.015 9 0 "[ . 1 . 2]" 2 10 1 33 ARG QG 1 48 GLY HA2 . . 4.230 3.180 3.006 3.291 . 0 0 "[ . 1 . 2]" 2 11 1 55 ALA MB 1 58 GLY HA2 . . 4.950 4.864 4.744 4.926 . 0 0 "[ . 1 . 2]" 2 12 1 6 LEU HG 1 27 GLY HA2 . . 3.790 2.520 2.423 2.615 . 0 0 "[ . 1 . 2]" 2 13 1 6 LEU HG 1 27 GLY HA3 . . 4.000 3.224 2.970 3.458 . 0 0 "[ . 1 . 2]" 2 14 1 27 GLY HA2 1 63 GLU HB2 . . 4.710 2.497 2.197 3.240 . 0 0 "[ . 1 . 2]" 2 15 1 27 GLY HA3 1 63 GLU HB2 . . 4.930 4.046 3.707 4.754 . 0 0 "[ . 1 . 2]" 2 16 1 27 GLY HA2 1 64 CYS H . . 4.590 4.411 4.164 4.588 . 0 0 "[ . 1 . 2]" 2 17 1 27 GLY HA3 1 64 CYS H . . 5.500 5.336 5.159 5.491 . 0 0 "[ . 1 . 2]" 2 18 1 33 ARG QG 1 48 GLY HA3 . . 4.230 3.622 3.551 3.670 . 0 0 "[ . 1 . 2]" 2 19 1 68 ALA MB 1 72 SER HA . . 5.140 4.802 4.439 5.143 0.003 20 0 "[ . 1 . 2]" 2 20 1 72 SER HA 1 74 CYS H . . 4.260 3.881 3.714 4.187 . 0 0 "[ . 1 . 2]" 2 21 1 71 SER HB2 1 72 SER H . . 4.910 4.482 4.114 4.664 . 0 0 "[ . 1 . 2]" 2 22 1 71 SER HB3 1 72 SER H . . 4.910 3.974 3.241 4.531 . 0 0 "[ . 1 . 2]" 2 23 1 70 GLU QG 1 71 SER HB2 . . 5.500 3.341 2.643 5.505 0.005 11 0 "[ . 1 . 2]" 2 24 1 70 GLU QG 1 71 SER HB3 . . 5.500 4.406 3.941 5.544 0.044 7 0 "[ . 1 . 2]" 2 25 1 68 ALA MB 1 71 SER HA . . 4.350 3.899 3.718 4.052 . 0 0 "[ . 1 . 2]" 2 26 1 54 SER QB 1 57 GLU HB3 . . 4.140 3.751 3.609 3.906 . 0 0 "[ . 1 . 2]" 2 27 1 54 SER QB 1 57 GLU HB2 . . 3.740 2.151 1.994 2.312 . 0 0 "[ . 1 . 2]" 2 28 1 38 LYS HA 1 47 SER QB . . 3.770 2.326 2.150 2.572 . 0 0 "[ . 1 . 2]" 2 29 1 47 SER QB 1 66 ILE HA . . 4.250 3.991 3.822 4.146 . 0 0 "[ . 1 . 2]" 2 30 1 47 SER HA 1 66 ILE HA . . 3.430 2.901 2.770 3.045 . 0 0 "[ . 1 . 2]" 2 31 1 47 SER QB 1 66 ILE MD . . 4.570 3.442 3.313 3.605 . 0 0 "[ . 1 . 2]" 2 32 1 47 SER HA 1 66 ILE MD . . 4.620 4.421 4.276 4.610 . 0 0 "[ . 1 . 2]" 2 33 1 47 SER QB 1 66 ILE MG . . 3.890 3.552 3.370 3.733 . 0 0 "[ . 1 . 2]" 2 34 1 47 SER QB 1 66 ILE HG13 . . 4.120 3.714 3.612 3.937 . 0 0 "[ . 1 . 2]" 2 35 1 47 SER QB 1 66 ILE HG12 . . 3.910 2.645 2.483 2.815 . 0 0 "[ . 1 . 2]" 2 36 1 38 LYS HB3 1 47 SER QB . . 4.740 3.914 3.444 4.269 . 0 0 "[ . 1 . 2]" 2 37 1 47 SER HA 1 66 ILE HG13 . . 4.140 3.702 3.420 4.003 . 0 0 "[ . 1 . 2]" 2 38 1 47 SER HA 1 66 ILE HG12 . . 4.380 2.933 2.823 3.147 . 0 0 "[ . 1 . 2]" 2 39 1 47 SER HA 1 65 TYR QD . . 4.470 3.997 3.817 4.104 . 0 0 "[ . 1 . 2]" 2 40 1 47 SER HA 1 65 TYR QE . . 4.520 4.417 4.313 4.497 . 0 0 "[ . 1 . 2]" 2 41 1 47 SER HA 1 48 GLY H . . 3.220 2.243 2.204 2.334 . 0 0 "[ . 1 . 2]" 2 42 1 47 SER HA 1 66 ILE H . . 5.320 5.205 5.066 5.304 . 0 0 "[ . 1 . 2]" 2 43 1 47 SER HA 1 67 CYS H . . 4.540 4.268 4.081 4.480 . 0 0 "[ . 1 . 2]" 2 44 1 39 ALA H 1 47 SER QB . . 4.320 2.586 2.256 2.897 . 0 0 "[ . 1 . 2]" 2 45 1 47 SER H 1 47 SER QB . . 3.600 2.817 2.638 3.151 . 0 0 "[ . 1 . 2]" 2 46 1 47 SER QB 1 65 TYR QD . . 5.500 5.476 5.323 5.508 0.008 16 0 "[ . 1 . 2]" 2 47 1 44 THR HB 1 45 TYR QD . . 4.410 3.183 3.140 3.302 . 0 0 "[ . 1 . 2]" 2 48 1 44 THR HB 1 45 TYR QE . . 4.570 3.225 3.186 3.315 . 0 0 "[ . 1 . 2]" 2 49 1 44 THR HB 1 69 VAL HB . . 5.500 5.487 5.382 5.507 0.007 18 0 "[ . 1 . 2]" 2 50 1 44 THR HA 1 69 VAL MG2 . . 3.510 3.378 2.861 3.514 0.004 19 0 "[ . 1 . 2]" 2 51 1 26 PRO HA 1 28 ASP H . . 3.880 3.852 3.821 3.891 0.011 19 0 "[ . 1 . 2]" 2 52 1 26 PRO HA 1 27 GLY H . . 3.190 2.163 2.156 2.171 . 0 0 "[ . 1 . 2]" 2 53 1 44 THR HA 1 45 TYR QE . . 5.500 5.556 5.537 5.578 0.078 3 0 "[ . 1 . 2]" 2 54 1 26 PRO HA 1 65 TYR HA . . 4.150 4.051 3.866 4.153 0.003 13 0 "[ . 1 . 2]" 2 55 1 6 LEU HB3 1 26 PRO HB3 . . 4.030 2.929 2.707 3.191 . 0 0 "[ . 1 . 2]" 2 56 1 6 LEU HB3 1 26 PRO HB2 . . 4.480 2.140 1.998 2.427 . 0 0 "[ . 1 . 2]" 2 57 1 31 SER HB2 1 32 LYS QG . . 4.590 4.222 3.541 4.602 0.012 7 0 "[ . 1 . 2]" 2 58 1 15 VAL HA 1 16 LYS H . . 3.010 2.320 2.227 2.472 . 0 0 "[ . 1 . 2]" 2 59 1 31 SER HA 1 32 LYS QG . . 4.310 4.176 4.051 4.259 . 0 0 "[ . 1 . 2]" 2 60 1 15 VAL HA 1 16 LYS QB . . 4.740 4.565 4.364 4.692 . 0 0 "[ . 1 . 2]" 2 61 1 28 ASP HA 1 29 SER QB . . 4.380 4.306 4.133 4.390 0.010 10 0 "[ . 1 . 2]" 2 62 1 29 SER QB 1 61 VAL HB . . 4.520 3.011 2.753 3.597 . 0 0 "[ . 1 . 2]" 2 63 1 29 SER QB 1 62 ARG QB . . 4.800 4.464 4.365 4.809 0.009 8 0 "[ . 1 . 2]" 2 64 1 55 ALA H 1 56 MET HA . . 5.340 5.166 5.098 5.223 . 0 0 "[ . 1 . 2]" 2 65 1 55 ALA MB 1 56 MET HA . . 3.920 3.784 3.695 3.860 . 0 0 "[ . 1 . 2]" 2 66 1 56 MET HA 1 56 MET HG3 . . 3.740 3.399 2.993 3.712 . 0 0 "[ . 1 . 2]" 2 67 1 56 MET HA 1 56 MET HG2 . . 3.740 2.471 2.272 2.771 . 0 0 "[ . 1 . 2]" 2 68 1 37 CYS HB3 1 38 LYS HB2 . . 5.050 4.659 4.488 4.889 . 0 0 "[ . 1 . 2]" 2 69 1 33 ARG QG 1 50 ALA H . . 5.500 5.216 4.871 5.502 0.002 17 0 "[ . 1 . 2]" 2 70 1 33 ARG HA 1 33 ARG QG . . 3.310 2.390 2.272 2.510 . 0 0 "[ . 1 . 2]" 2 71 1 61 VAL HA 1 62 ARG QB . . 4.530 4.508 4.365 4.556 0.026 10 0 "[ . 1 . 2]" 2 72 1 45 TYR H 1 69 VAL MG2 . . 4.550 4.336 4.097 4.552 0.002 2 0 "[ . 1 . 2]" 2 73 1 18 PRO HA 1 20 GLY H . . 4.120 3.800 3.731 3.838 . 0 0 "[ . 1 . 2]" 2 74 1 17 LEU HA 1 18 PRO HG2 . . 4.980 4.555 4.541 4.567 . 0 0 "[ . 1 . 2]" 2 75 1 18 PRO HG2 1 19 ASN HA . . 5.280 4.330 4.302 4.365 . 0 0 "[ . 1 . 2]" 2 76 1 17 LEU HG 1 18 PRO HD3 . . 4.830 4.647 4.563 4.793 . 0 0 "[ . 1 . 2]" 2 77 1 17 LEU HG 1 18 PRO HD2 . . 4.150 3.995 3.914 4.126 . 0 0 "[ . 1 . 2]" 2 78 1 17 LEU H 1 18 PRO HD2 . . 4.810 4.775 4.757 4.783 . 0 0 "[ . 1 . 2]" 2 79 1 18 PRO HB2 1 19 ASN HA . . 4.800 4.235 4.221 4.255 . 0 0 "[ . 1 . 2]" 2 80 1 17 LEU MD2 1 18 PRO HB3 . . 5.500 5.446 5.369 5.491 . 0 0 "[ . 1 . 2]" 2 81 1 70 GLU H 1 70 GLU HB3 . . 3.950 2.839 2.714 3.610 . 0 0 "[ . 1 . 2]" 2 82 1 17 LEU MD2 1 18 PRO HG3 . . 4.350 4.186 4.099 4.241 . 0 0 "[ . 1 . 2]" 2 83 1 18 PRO HD2 1 19 ASN HA . . 5.500 5.369 5.356 5.382 . 0 0 "[ . 1 . 2]" 2 84 1 38 LYS HA 1 39 ALA HA . . 4.470 4.337 4.317 4.378 . 0 0 "[ . 1 . 2]" 2 85 1 17 LEU MD1 1 21 GLN HB3 . . 4.770 4.489 4.405 4.570 . 0 0 "[ . 1 . 2]" 2 86 1 17 LEU MD1 1 21 GLN HB2 . . 4.770 3.554 3.494 3.635 . 0 0 "[ . 1 . 2]" 2 87 1 17 LEU MD1 1 21 GLN HA . . 5.100 5.034 4.997 5.109 0.009 12 0 "[ . 1 . 2]" 2 88 1 21 GLN HA 1 21 GLN QG . . 3.210 2.707 2.420 3.074 . 0 0 "[ . 1 . 2]" 2 89 1 17 LEU MD1 1 23 CYS HB3 . . 3.870 3.798 3.738 3.876 0.006 12 0 "[ . 1 . 2]" 2 90 1 17 LEU MD1 1 23 CYS HA . . 3.570 2.077 1.914 2.166 . 0 0 "[ . 1 . 2]" 2 91 1 17 LEU MD1 1 23 CYS HB2 . . 4.440 4.277 4.098 4.388 . 0 0 "[ . 1 . 2]" 2 92 1 24 LYS HA 1 24 LYS QE . . 3.920 3.107 2.251 3.867 . 0 0 "[ . 1 . 2]" 2 93 1 24 LYS HB3 1 24 LYS QE . . 4.320 4.009 3.813 4.182 . 0 0 "[ . 1 . 2]" 2 94 1 24 LYS HB2 1 24 LYS QE . . 4.620 4.265 3.903 4.523 . 0 0 "[ . 1 . 2]" 2 95 1 30 CYS H 1 30 CYS HB2 . . 4.150 2.901 2.885 2.974 . 0 0 "[ . 1 . 2]" 2 96 1 30 CYS HB3 1 49 CYS HB2 . . 4.640 4.142 4.046 4.216 . 0 0 "[ . 1 . 2]" 2 97 1 30 CYS HB3 1 35 GLU HB2 . . 4.590 2.611 2.536 2.711 . 0 0 "[ . 1 . 2]" 2 98 1 24 LYS HB3 1 30 CYS HB3 . . 4.420 3.912 3.814 4.102 . 0 0 "[ . 1 . 2]" 2 99 1 24 LYS HB3 1 30 CYS HB2 . . 5.450 5.134 5.036 5.337 . 0 0 "[ . 1 . 2]" 2 100 1 30 CYS HB2 1 35 GLU HB2 . . 4.710 3.844 3.798 3.897 . 0 0 "[ . 1 . 2]" 2 101 1 30 CYS HB2 1 49 CYS HB2 . . 4.710 3.925 3.832 3.996 . 0 0 "[ . 1 . 2]" 2 102 1 33 ARG HA 1 36 CYS HB2 . . 4.950 3.512 3.330 4.362 . 0 0 "[ . 1 . 2]" 2 103 1 33 ARG HA 1 36 CYS HB3 . . 4.950 4.386 3.689 4.515 . 0 0 "[ . 1 . 2]" 2 104 1 49 CYS HA 1 50 ALA H . . 3.110 2.158 2.157 2.159 . 0 0 "[ . 1 . 2]" 2 105 1 49 CYS HA 1 65 TYR QD . . 4.570 3.469 3.374 3.550 . 0 0 "[ . 1 . 2]" 2 106 1 33 ARG HA 1 49 CYS HA . . 4.870 4.887 4.864 4.909 0.039 17 0 "[ . 1 . 2]" 2 107 1 49 CYS HA 1 50 ALA MB . . 4.110 4.072 4.039 4.091 . 0 0 "[ . 1 . 2]" 2 108 1 33 ARG HA 1 49 CYS HB3 . . 3.910 2.486 2.430 2.539 . 0 0 "[ . 1 . 2]" 2 109 1 64 CYS HA 1 65 TYR QD . . 4.280 3.749 3.611 3.946 . 0 0 "[ . 1 . 2]" 2 110 1 49 CYS HA 1 64 CYS HA . . 3.420 2.303 2.181 2.441 . 0 0 "[ . 1 . 2]" 2 111 1 26 PRO HA 1 64 CYS HA . . 4.590 4.344 4.170 4.564 . 0 0 "[ . 1 . 2]" 2 112 1 65 TYR QD 1 67 CYS QB . . 4.160 3.837 3.574 3.995 . 0 0 "[ . 1 . 2]" 2 113 1 65 TYR HB2 1 67 CYS QB . . 4.380 4.297 4.107 4.397 0.017 7 0 "[ . 1 . 2]" 2 114 1 73 MET HA 1 73 MET HG2 . . 3.890 2.915 2.281 3.785 . 0 0 "[ . 1 . 2]" 2 115 1 56 MET HA 1 56 MET HB3 . . 2.940 2.581 2.533 2.604 . 0 0 "[ . 1 . 2]" 2 116 1 4 TRP HA 1 4 TRP HE3 . . 3.850 2.194 1.998 2.328 . 0 0 "[ . 1 . 2]" 2 117 1 8 TYR HA 1 8 TYR QD . . 3.910 2.327 2.164 3.034 . 0 0 "[ . 1 . 2]" 2 118 1 10 ILE HA 1 10 ILE HG12 . . 3.860 2.552 2.522 2.640 . 0 0 "[ . 1 . 2]" 2 119 1 10 ILE HG12 1 10 ILE MG . . 3.410 2.360 2.285 2.386 . 0 0 "[ . 1 . 2]" 2 120 1 7 GLY HA3 1 10 ILE MD . . 3.690 2.575 2.153 2.855 . 0 0 "[ . 1 . 2]" 2 121 1 6 LEU H 1 6 LEU MD1 . . 4.340 3.134 3.105 3.166 . 0 0 "[ . 1 . 2]" 2 122 1 17 LEU HA 1 17 LEU HG . . 3.640 2.665 2.622 2.760 . 0 0 "[ . 1 . 2]" 2 123 1 10 ILE MG 1 11 PRO HD3 . . 4.160 3.278 3.276 3.283 . 0 0 "[ . 1 . 2]" 2 124 1 12 HIS HA 1 39 ALA HA . . 3.330 3.288 3.140 3.337 0.007 6 0 "[ . 1 . 2]" 2 125 1 61 VAL HA 1 61 VAL MG1 . . 3.240 2.210 2.118 2.338 . 0 0 "[ . 1 . 2]" 2 126 1 16 LYS HA 1 16 LYS HG3 . . 4.000 3.325 2.399 3.795 . 0 0 "[ . 1 . 2]" 2 127 1 16 LYS H 1 16 LYS QE . . 4.740 4.532 2.726 4.743 0.003 13 0 "[ . 1 . 2]" 2 128 1 15 VAL H 1 15 VAL HB . . 3.980 3.884 3.826 3.913 . 0 0 "[ . 1 . 2]" 2 129 1 15 VAL HA 1 15 VAL MG1 . . 2.990 2.231 2.138 2.322 . 0 0 "[ . 1 . 2]" 2 130 1 15 VAL HA 1 15 VAL MG2 . . 3.300 3.193 3.181 3.198 . 0 0 "[ . 1 . 2]" 2 131 1 15 VAL HB 1 16 LYS QB . . 4.590 4.494 4.207 4.606 0.016 14 0 "[ . 1 . 2]" 2 132 1 15 VAL MG2 1 23 CYS HB3 . . 4.920 4.559 4.312 4.708 . 0 0 "[ . 1 . 2]" 2 133 1 15 VAL MG2 1 16 LYS H . . 4.210 3.724 3.398 3.933 . 0 0 "[ . 1 . 2]" 2 134 1 15 VAL MG2 1 23 CYS H . . 4.690 4.387 4.171 4.543 . 0 0 "[ . 1 . 2]" 2 135 1 14 GLN HB2 1 15 VAL H . . 4.620 4.178 3.988 4.393 . 0 0 "[ . 1 . 2]" 2 136 1 13 LYS QB 1 15 VAL MG1 . . 3.600 3.319 3.010 3.601 0.001 7 0 "[ . 1 . 2]" 2 137 1 35 GLU HA 1 36 CYS HA . . 4.750 4.762 4.692 4.790 0.040 8 0 "[ . 1 . 2]" 2 138 1 17 LEU MD1 1 35 GLU HA . . 2.830 2.595 2.094 2.832 0.002 6 0 "[ . 1 . 2]" 2 139 1 3 ARG HA 1 6 LEU HG . . 4.540 4.536 4.505 4.548 0.008 12 0 "[ . 1 . 2]" 2 140 1 3 ARG HA 1 6 LEU HB2 . . 4.360 3.333 3.242 3.493 . 0 0 "[ . 1 . 2]" 2 141 1 4 TRP HA 1 8 TYR QB . . 4.100 4.003 3.882 4.099 . 0 0 "[ . 1 . 2]" 2 142 1 22 LEU HA 1 22 LEU MD1 . . 3.830 3.820 3.813 3.823 . 0 0 "[ . 1 . 2]" 2 143 1 22 LEU H 1 22 LEU MD1 . . 4.110 3.915 3.893 3.949 . 0 0 "[ . 1 . 2]" 2 144 1 14 GLN HE21 1 22 LEU MD1 . . 4.350 2.692 2.113 3.821 . 0 0 "[ . 1 . 2]" 2 145 1 22 LEU HA 1 22 LEU MD2 . . 2.960 1.961 1.948 2.059 . 0 0 "[ . 1 . 2]" 2 146 1 16 LYS QE 1 22 LEU MD2 . . 3.830 2.923 1.993 3.824 . 0 0 "[ . 1 . 2]" 2 147 1 22 LEU HB2 1 22 LEU MD2 . . 3.230 3.193 3.178 3.195 . 0 0 "[ . 1 . 2]" 2 148 1 17 LEU H 1 22 LEU MD2 . . 4.010 3.196 3.063 3.355 . 0 0 "[ . 1 . 2]" 2 149 1 22 LEU HB3 1 22 LEU MD1 . . 2.710 2.384 2.337 2.404 . 0 0 "[ . 1 . 2]" 2 150 1 22 LEU HB2 1 22 LEU MD1 . . 3.180 2.303 2.269 2.367 . 0 0 "[ . 1 . 2]" 2 151 1 8 TYR HA 1 26 PRO HB2 . . 3.740 3.487 3.314 3.640 . 0 0 "[ . 1 . 2]" 2 152 1 8 TYR HA 1 26 PRO HB3 . . 4.500 3.766 3.437 3.928 . 0 0 "[ . 1 . 2]" 2 153 1 8 TYR HA 1 12 HIS HE1 . . 4.520 2.370 2.260 2.505 . 0 0 "[ . 1 . 2]" 2 154 1 8 TYR QB 1 26 PRO HB2 . . 4.590 2.942 2.709 3.083 . 0 0 "[ . 1 . 2]" 2 155 1 8 TYR HA 1 66 ILE MD . . 4.790 3.866 3.742 3.998 . 0 0 "[ . 1 . 2]" 2 156 1 4 TRP HZ3 1 9 GLY HA3 . . 4.420 2.062 1.998 2.233 . 0 0 "[ . 1 . 2]" 2 157 1 4 TRP HZ3 1 9 GLY HA2 . . 4.420 3.253 2.699 3.560 . 0 0 "[ . 1 . 2]" 2 158 1 9 GLY H 1 10 ILE HB . . 5.110 5.097 5.038 5.118 0.008 13 0 "[ . 1 . 2]" 2 159 1 10 ILE H 1 10 ILE MD . . 3.640 3.523 3.373 3.593 . 0 0 "[ . 1 . 2]" 2 160 1 10 ILE MG 1 45 TYR QE . . 4.170 2.623 2.450 2.911 . 0 0 "[ . 1 . 2]" 2 161 1 10 ILE MG 1 45 TYR QD . . 4.260 2.666 2.511 2.868 . 0 0 "[ . 1 . 2]" 2 162 1 10 ILE MG 1 11 PRO HD2 . . 4.160 1.900 1.898 1.903 . 0 0 "[ . 1 . 2]" 2 163 1 10 ILE MG 1 12 HIS HA . . 4.380 4.194 4.142 4.230 . 0 0 "[ . 1 . 2]" 2 164 1 10 ILE HB 1 10 ILE MD . . 3.530 2.390 2.328 2.458 . 0 0 "[ . 1 . 2]" 2 165 1 10 ILE MD 1 66 ILE HB . . 3.990 3.432 3.130 3.676 . 0 0 "[ . 1 . 2]" 2 166 1 10 ILE MD 1 10 ILE MG . . 3.130 1.984 1.912 2.085 . 0 0 "[ . 1 . 2]" 2 167 1 10 ILE HA 1 10 ILE MD . . 3.920 3.836 3.819 3.875 . 0 0 "[ . 1 . 2]" 2 168 1 7 GLY HA2 1 10 ILE MD . . 3.620 2.787 2.464 3.052 . 0 0 "[ . 1 . 2]" 2 169 1 10 ILE MD 1 45 TYR QD . . 4.080 3.150 2.890 3.491 . 0 0 "[ . 1 . 2]" 2 170 1 10 ILE MD 1 45 TYR QE . . 3.760 3.365 2.960 3.754 . 0 0 "[ . 1 . 2]" 2 171 1 10 ILE MD 1 12 HIS HE1 . . 5.050 4.946 4.774 5.035 . 0 0 "[ . 1 . 2]" 2 172 1 7 GLY HA2 1 10 ILE HG12 . . 4.590 4.509 4.243 4.595 0.005 13 0 "[ . 1 . 2]" 2 173 1 10 ILE HA 1 10 ILE MG . . 3.340 2.399 2.395 2.403 . 0 0 "[ . 1 . 2]" 2 174 1 10 ILE HA 1 10 ILE HG13 . . 3.720 3.046 2.921 3.088 . 0 0 "[ . 1 . 2]" 2 175 1 10 ILE HA 1 11 PRO HG3 . . 4.530 4.335 4.333 4.337 . 0 0 "[ . 1 . 2]" 2 176 1 10 ILE HA 1 11 PRO HG2 . . 4.530 4.281 4.279 4.282 . 0 0 "[ . 1 . 2]" 2 177 1 12 HIS HB3 1 39 ALA HA . . 4.270 2.852 2.673 2.978 . 0 0 "[ . 1 . 2]" 2 178 1 12 HIS HB2 1 39 ALA HA . . 4.730 4.498 4.338 4.628 . 0 0 "[ . 1 . 2]" 2 179 1 12 HIS HB3 1 66 ILE MD . . 3.940 3.943 3.910 3.955 0.015 13 0 "[ . 1 . 2]" 2 180 1 12 HIS HB2 1 66 ILE MD . . 4.670 4.490 4.473 4.515 . 0 0 "[ . 1 . 2]" 2 181 1 13 LYS HA 1 13 LYS QB . . 2.770 2.411 2.181 2.487 . 0 0 "[ . 1 . 2]" 2 182 1 38 LYS HA 1 42 GLN HB3 . . 5.500 3.913 3.710 4.093 . 0 0 "[ . 1 . 2]" 2 183 1 42 GLN HB3 1 43 LYS H . . 4.700 4.060 3.930 4.155 . 0 0 "[ . 1 . 2]" 2 184 1 51 GLN H 1 51 GLN HG2 . . 4.770 3.056 1.952 3.397 . 0 0 "[ . 1 . 2]" 2 185 1 14 GLN HA 1 14 GLN HG3 . . 4.160 2.864 2.279 3.603 . 0 0 "[ . 1 . 2]" 2 186 1 14 GLN HA 1 14 GLN HG2 . . 4.160 3.146 2.144 3.832 . 0 0 "[ . 1 . 2]" 2 187 1 16 LYS QB 1 17 LEU HA . . 4.520 4.387 4.326 4.489 . 0 0 "[ . 1 . 2]" 2 188 1 16 LYS HA 1 22 LEU MD2 . . 3.330 2.157 1.987 2.275 . 0 0 "[ . 1 . 2]" 2 189 1 16 LYS HA 1 17 LEU MD1 . . 4.610 4.535 4.476 4.625 0.015 12 0 "[ . 1 . 2]" 2 190 1 16 LYS HA 1 16 LYS HG2 . . 4.000 2.628 2.412 3.386 . 0 0 "[ . 1 . 2]" 2 191 1 16 LYS HA 1 16 LYS QE . . 4.370 3.998 3.194 4.358 . 0 0 "[ . 1 . 2]" 2 192 1 17 LEU HB2 1 18 PRO HD3 . . 4.770 4.661 4.658 4.665 . 0 0 "[ . 1 . 2]" 2 193 1 17 LEU HB3 1 18 PRO HD3 . . 3.770 3.392 3.389 3.399 . 0 0 "[ . 1 . 2]" 2 194 1 17 LEU HB3 1 19 ASN HA . . 5.260 5.100 5.065 5.124 . 0 0 "[ . 1 . 2]" 2 195 1 17 LEU HB2 1 23 CYS HA . . 5.210 5.018 4.878 5.100 . 0 0 "[ . 1 . 2]" 2 196 1 17 LEU HB3 1 19 ASN H . . 4.570 2.376 2.336 2.415 . 0 0 "[ . 1 . 2]" 2 197 1 17 LEU HA 1 17 LEU MD1 . . 3.940 3.865 3.848 3.892 . 0 0 "[ . 1 . 2]" 2 198 1 17 LEU MD1 1 18 PRO HD2 . . 4.220 4.050 4.008 4.078 . 0 0 "[ . 1 . 2]" 2 199 1 17 LEU HB2 1 17 LEU MD1 . . 3.350 2.189 2.175 2.210 . 0 0 "[ . 1 . 2]" 2 200 1 17 LEU MD1 1 19 ASN H . . 4.280 4.270 4.201 4.290 0.010 1 0 "[ . 1 . 2]" 2 201 1 17 LEU HG 1 23 CYS H . . 4.020 3.773 3.544 3.866 . 0 0 "[ . 1 . 2]" 2 202 1 17 LEU H 1 17 LEU MD2 . . 4.200 4.126 4.045 4.171 . 0 0 "[ . 1 . 2]" 2 203 1 17 LEU MD2 1 23 CYS H . . 5.090 4.897 4.754 4.993 . 0 0 "[ . 1 . 2]" 2 204 1 17 LEU HA 1 17 LEU MD2 . . 3.000 2.464 2.387 2.624 . 0 0 "[ . 1 . 2]" 2 205 1 17 LEU MD2 1 35 GLU HA . . 4.000 3.520 3.157 3.690 . 0 0 "[ . 1 . 2]" 2 206 1 17 LEU MD2 1 18 PRO HD2 . . 3.260 2.245 2.030 2.331 . 0 0 "[ . 1 . 2]" 2 207 1 17 LEU MD2 1 23 CYS HB3 . . 4.790 4.793 4.725 4.802 0.012 16 0 "[ . 1 . 2]" 2 208 1 17 LEU HB2 1 17 LEU MD2 . . 3.660 3.121 3.102 3.133 . 0 0 "[ . 1 . 2]" 2 209 1 17 LEU HB3 1 17 LEU MD2 . . 3.600 2.147 2.004 2.215 . 0 0 "[ . 1 . 2]" 2 210 1 17 LEU HB3 1 17 LEU MD1 . . 3.510 2.627 2.561 2.646 . 0 0 "[ . 1 . 2]" 2 211 1 17 LEU MD1 1 18 PRO HD3 . . 5.310 5.177 5.137 5.197 . 0 0 "[ . 1 . 2]" 2 212 1 17 LEU MD2 1 18 PRO HD3 . . 3.360 3.046 2.937 3.202 . 0 0 "[ . 1 . 2]" 2 213 1 17 LEU HA 1 18 PRO HD3 . . 3.490 2.321 2.314 2.328 . 0 0 "[ . 1 . 2]" 2 214 1 17 LEU HA 1 18 PRO HD2 . . 3.250 2.452 2.435 2.465 . 0 0 "[ . 1 . 2]" 2 215 1 17 LEU HB3 1 18 PRO HD2 . . 3.910 1.938 1.935 1.947 . 0 0 "[ . 1 . 2]" 2 216 1 17 LEU HB2 1 18 PRO HD2 . . 3.740 3.569 3.566 3.573 . 0 0 "[ . 1 . 2]" 2 217 1 17 LEU MD1 1 21 GLN QG . . 5.020 4.879 4.774 4.967 . 0 0 "[ . 1 . 2]" 2 218 1 22 LEU HA 1 22 LEU HG . . 3.560 3.060 3.035 3.099 . 0 0 "[ . 1 . 2]" 2 219 1 22 LEU MD1 1 23 CYS H . . 4.610 4.387 4.362 4.444 . 0 0 "[ . 1 . 2]" 2 220 1 22 LEU MD2 1 23 CYS H . . 3.400 3.107 2.948 3.139 . 0 0 "[ . 1 . 2]" 2 221 1 22 LEU HB3 1 22 LEU MD2 . . 2.780 2.381 2.338 2.390 . 0 0 "[ . 1 . 2]" 2 222 1 5 ASN H 1 6 LEU MD1 . . 4.870 4.865 4.793 4.874 0.004 3 0 "[ . 1 . 2]" 2 223 1 25 GLU HA 1 25 GLU HG2 . . 4.040 2.632 2.618 2.640 . 0 0 "[ . 1 . 2]" 2 224 1 25 GLU HA 1 25 GLU HG3 . . 4.070 3.769 3.726 3.791 . 0 0 "[ . 1 . 2]" 2 225 1 24 LYS HD3 1 25 GLU HG3 . . 4.620 4.497 4.106 4.625 0.005 9 0 "[ . 1 . 2]" 2 226 1 24 LYS HD3 1 25 GLU HA . . 5.500 5.239 5.001 5.461 . 0 0 "[ . 1 . 2]" 2 227 1 24 LYS HD3 1 28 ASP HB2 . . 4.630 4.169 3.771 4.636 0.006 9 0 "[ . 1 . 2]" 2 228 1 24 LYS HD3 1 28 ASP HB3 . . 4.630 4.041 3.235 4.396 . 0 0 "[ . 1 . 2]" 2 229 1 25 GLU H 1 28 ASP HB2 . . 4.630 3.377 3.151 3.978 . 0 0 "[ . 1 . 2]" 2 230 1 25 GLU H 1 28 ASP HB3 . . 4.630 4.203 3.425 4.493 . 0 0 "[ . 1 . 2]" 2 231 1 28 ASP HB3 1 29 SER H . . 4.190 2.852 2.522 3.320 . 0 0 "[ . 1 . 2]" 2 232 1 32 LYS HB2 1 33 ARG H . . 4.420 3.982 3.900 4.025 . 0 0 "[ . 1 . 2]" 2 233 1 31 SER HB3 1 32 LYS QG . . 4.590 2.994 2.590 3.236 . 0 0 "[ . 1 . 2]" 2 234 1 33 ARG HA 1 49 CYS HB2 . . 3.690 3.576 3.469 3.687 . 0 0 "[ . 1 . 2]" 2 235 1 33 ARG HA 1 35 GLU HB2 . . 4.740 4.627 4.532 4.721 . 0 0 "[ . 1 . 2]" 2 236 1 32 LYS HA 1 33 ARG HA . . 4.540 4.300 4.297 4.303 . 0 0 "[ . 1 . 2]" 2 237 1 33 ARG HA 1 49 CYS H . . 3.820 2.926 2.893 2.967 . 0 0 "[ . 1 . 2]" 2 238 1 33 ARG HA 1 35 GLU H . . 4.190 3.865 3.812 3.918 . 0 0 "[ . 1 . 2]" 2 239 1 33 ARG QG 1 35 GLU H . . 5.180 5.064 4.913 5.172 . 0 0 "[ . 1 . 2]" 2 240 1 34 ASP HA 1 36 CYS H . . 4.050 3.951 3.927 3.972 . 0 0 "[ . 1 . 2]" 2 241 1 24 LYS HD3 1 35 GLU HB3 . . 5.500 5.162 4.684 5.503 0.003 8 0 "[ . 1 . 2]" 2 242 1 35 GLU HA 1 35 GLU HB3 . . 2.990 2.461 2.450 2.485 . 0 0 "[ . 1 . 2]" 2 243 1 35 GLU HA 1 35 GLU HG2 . . 4.220 2.965 2.370 3.332 . 0 0 "[ . 1 . 2]" 2 244 1 24 LYS QE 1 35 GLU HB2 . . 5.500 4.984 4.401 5.498 . 0 0 "[ . 1 . 2]" 2 245 1 24 LYS HD2 1 30 CYS HA . . 4.490 2.422 1.997 3.202 . 0 0 "[ . 1 . 2]" 2 246 1 42 GLN HA 1 42 GLN HG2 . . 4.000 3.789 3.579 3.967 . 0 0 "[ . 1 . 2]" 2 247 1 42 GLN HA 1 42 GLN HG3 . . 4.000 3.715 3.585 3.995 . 0 0 "[ . 1 . 2]" 2 248 1 6 LEU HA 1 6 LEU MD1 . . 4.030 2.044 2.007 2.065 . 0 0 "[ . 1 . 2]" 2 249 1 6 LEU H 1 6 LEU HG . . 4.430 4.024 4.004 4.030 . 0 0 "[ . 1 . 2]" 2 250 1 62 ARG QB 1 62 ARG HD2 . . 3.520 2.597 1.963 3.383 . 0 0 "[ . 1 . 2]" 2 251 1 62 ARG QB 1 62 ARG HD3 . . 3.520 2.477 2.116 3.291 . 0 0 "[ . 1 . 2]" 2 252 1 16 LYS QB 1 22 LEU MD2 . . 4.400 3.208 2.855 3.424 . 0 0 "[ . 1 . 2]" 2 253 1 29 SER QB 1 63 GLU HA . . 4.710 4.739 4.727 4.754 0.044 20 0 "[ . 1 . 2]" 2 254 1 29 SER HA 1 63 GLU HA . . 3.610 2.983 2.636 3.050 . 0 0 "[ . 1 . 2]" 2 255 1 63 GLU HA 1 63 GLU HG2 . . 3.800 3.733 3.663 3.801 0.001 1 0 "[ . 1 . 2]" 2 256 1 29 SER QB 1 61 VAL MG2 . . 4.330 3.756 3.479 4.330 . 0 0 "[ . 1 . 2]" 2 257 1 54 SER QB 1 61 VAL MG2 . . 3.610 2.194 2.104 2.252 . 0 0 "[ . 1 . 2]" 2 258 1 54 SER QB 1 61 VAL MG1 . . 3.640 3.624 3.442 3.647 0.007 15 0 "[ . 1 . 2]" 2 259 1 24 LYS QE 1 30 CYS HA . . 4.500 3.207 2.002 4.215 . 0 0 "[ . 1 . 2]" 2 260 1 24 LYS H 1 35 GLU HB2 . . 5.040 4.955 4.854 5.054 0.014 20 0 "[ . 1 . 2]" 2 261 1 35 GLU HA 1 35 GLU HG3 . . 4.220 3.695 3.397 3.793 . 0 0 "[ . 1 . 2]" 2 262 1 17 LEU MD1 1 35 GLU HG2 . . 5.370 4.709 3.740 5.345 . 0 0 "[ . 1 . 2]" 2 263 1 17 LEU MD1 1 35 GLU HG3 . . 5.370 5.153 4.840 5.372 0.002 17 0 "[ . 1 . 2]" 2 264 1 23 CYS HB3 1 37 CYS HA . . 4.290 4.122 3.500 4.299 0.009 20 0 "[ . 1 . 2]" 2 265 1 39 ALA HA 1 66 ILE MD . . 3.820 3.403 3.233 3.498 . 0 0 "[ . 1 . 2]" 2 266 1 39 ALA HA 1 66 ILE HG12 . . 5.130 4.984 4.728 5.125 . 0 0 "[ . 1 . 2]" 2 267 1 39 ALA MB 1 66 ILE MD . . 3.810 2.391 2.180 2.573 . 0 0 "[ . 1 . 2]" 2 268 1 10 ILE MG 1 39 ALA MB . . 3.560 2.696 2.525 2.783 . 0 0 "[ . 1 . 2]" 2 269 1 10 ILE MG 1 39 ALA HA . . 4.580 4.496 4.127 4.587 0.007 6 0 "[ . 1 . 2]" 2 270 1 39 ALA MB 1 66 ILE MG . . 3.170 2.032 1.889 2.215 . 0 0 "[ . 1 . 2]" 2 271 1 39 ALA MB 1 42 GLN HB3 . . 4.210 3.847 3.705 4.039 . 0 0 "[ . 1 . 2]" 2 272 1 39 ALA HA 1 42 GLN HB3 . . 5.330 5.023 4.921 5.172 . 0 0 "[ . 1 . 2]" 2 273 1 39 ALA MB 1 45 TYR HB3 . . 3.480 3.482 3.452 3.494 0.014 9 0 "[ . 1 . 2]" 2 274 1 39 ALA MB 1 45 TYR HB2 . . 3.380 2.456 2.421 2.549 . 0 0 "[ . 1 . 2]" 2 275 1 39 ALA HA 1 40 ASP HB2 . . 4.840 4.753 4.648 4.824 . 0 0 "[ . 1 . 2]" 2 276 1 38 LYS HA 1 39 ALA MB . . 4.090 4.006 3.926 4.051 . 0 0 "[ . 1 . 2]" 2 277 1 39 ALA HA 1 40 ASP HA . . 5.210 4.295 4.293 4.299 . 0 0 "[ . 1 . 2]" 2 278 1 12 HIS HA 1 39 ALA MB . . 4.190 3.903 3.766 4.112 . 0 0 "[ . 1 . 2]" 2 279 1 39 ALA MB 1 45 TYR HA . . 5.160 5.019 4.974 5.052 . 0 0 "[ . 1 . 2]" 2 280 1 39 ALA MB 1 45 TYR QE . . 4.620 4.084 3.931 4.304 . 0 0 "[ . 1 . 2]" 2 281 1 39 ALA MB 1 45 TYR QD . . 3.610 2.406 2.208 2.576 . 0 0 "[ . 1 . 2]" 2 282 1 39 ALA H 1 39 ALA MB . . 3.130 2.220 2.031 2.321 . 0 0 "[ . 1 . 2]" 2 283 1 40 ASP HA 1 40 ASP HB3 . . 2.850 2.600 2.581 2.607 . 0 0 "[ . 1 . 2]" 2 284 1 41 ASP HB2 1 45 TYR QD . . 4.480 3.781 3.609 3.979 . 0 0 "[ . 1 . 2]" 2 285 1 41 ASP HB3 1 45 TYR QD . . 4.480 2.905 2.743 3.063 . 0 0 "[ . 1 . 2]" 2 286 1 43 LYS HA 1 43 LYS QB . . 2.610 2.369 2.317 2.418 . 0 0 "[ . 1 . 2]" 2 287 1 43 LYS HA 1 43 LYS HG3 . . 3.960 3.051 2.552 3.807 . 0 0 "[ . 1 . 2]" 2 288 1 43 LYS HA 1 43 LYS HG2 . . 3.960 2.935 2.666 3.403 . 0 0 "[ . 1 . 2]" 2 289 1 43 LYS QE 1 43 LYS HG3 . . 3.690 2.678 2.082 3.483 . 0 0 "[ . 1 . 2]" 2 290 1 43 LYS HA 1 43 LYS HD2 . . 5.450 4.008 2.454 4.805 . 0 0 "[ . 1 . 2]" 2 291 1 43 LYS HA 1 43 LYS HD3 . . 5.450 3.884 2.345 4.579 . 0 0 "[ . 1 . 2]" 2 292 1 43 LYS QE 1 43 LYS HG2 . . 3.690 2.486 2.117 3.023 . 0 0 "[ . 1 . 2]" 2 293 1 44 THR MG 1 68 ALA MB . . 4.610 4.603 4.450 4.634 0.024 13 0 "[ . 1 . 2]" 2 294 1 43 LYS H 1 44 THR MG . . 5.010 4.894 4.695 4.973 . 0 0 "[ . 1 . 2]" 2 295 1 44 THR MG 1 45 TYR QD . . 4.760 4.582 4.562 4.616 . 0 0 "[ . 1 . 2]" 2 296 1 44 THR MG 1 45 TYR QE . . 4.450 4.262 4.238 4.308 . 0 0 "[ . 1 . 2]" 2 297 1 45 TYR HA 1 46 SER QB . . 4.270 3.993 3.972 4.014 . 0 0 "[ . 1 . 2]" 2 298 1 45 TYR HA 1 68 ALA HA . . 3.690 2.024 1.986 2.142 . 0 0 "[ . 1 . 2]" 2 299 1 45 TYR HA 1 68 ALA MB . . 3.900 3.597 3.497 3.731 . 0 0 "[ . 1 . 2]" 2 300 1 45 TYR HA 1 45 TYR QD . . 3.620 2.227 2.196 2.244 . 0 0 "[ . 1 . 2]" 2 301 1 45 TYR HA 1 45 TYR QE . . 4.590 4.553 4.529 4.565 . 0 0 "[ . 1 . 2]" 2 302 1 50 ALA MB 1 65 TYR QD . . 3.940 3.933 3.821 3.952 0.012 5 0 "[ . 1 . 2]" 2 303 1 50 ALA MB 1 65 TYR QE . . 3.360 2.053 1.977 2.163 . 0 0 "[ . 1 . 2]" 2 304 1 50 ALA MB 1 63 GLU H . . 4.870 4.764 4.489 4.882 0.012 14 0 "[ . 1 . 2]" 2 305 1 50 ALA H 1 50 ALA MB . . 3.350 2.461 2.421 2.522 . 0 0 "[ . 1 . 2]" 2 306 1 51 GLN H 1 51 GLN HG3 . . 4.770 2.204 1.947 3.710 . 0 0 "[ . 1 . 2]" 2 307 1 52 THR HA 1 52 THR MG . . 3.550 2.308 2.229 2.362 . 0 0 "[ . 1 . 2]" 2 308 1 52 THR H 1 52 THR MG . . 3.610 3.155 3.097 3.263 . 0 0 "[ . 1 . 2]" 2 309 1 52 THR MG 1 63 GLU H . . 4.230 3.294 2.930 3.502 . 0 0 "[ . 1 . 2]" 2 310 1 51 GLN H 1 52 THR MG . . 4.680 4.327 4.247 4.473 . 0 0 "[ . 1 . 2]" 2 311 1 53 TRP HA 1 61 VAL H . . 4.150 4.125 3.992 4.167 0.017 19 0 "[ . 1 . 2]" 2 312 1 53 TRP HA 1 60 PHE QD . . 4.150 2.959 2.724 3.283 . 0 0 "[ . 1 . 2]" 2 313 1 53 TRP HA 1 53 TRP HE3 . . 3.710 2.980 2.684 3.128 . 0 0 "[ . 1 . 2]" 2 314 1 53 TRP HA 1 60 PHE HA . . 3.430 2.861 2.746 2.907 . 0 0 "[ . 1 . 2]" 2 315 1 53 TRP HA 1 53 TRP HZ3 . . 5.260 5.139 4.887 5.262 0.002 19 0 "[ . 1 . 2]" 2 316 1 55 ALA HA 1 58 GLY H . . 3.910 3.525 3.448 3.598 . 0 0 "[ . 1 . 2]" 2 317 1 53 TRP HZ2 1 55 ALA HA . . 4.790 4.380 4.088 4.602 . 0 0 "[ . 1 . 2]" 2 318 1 53 TRP HD1 1 55 ALA HA . . 4.870 4.770 4.691 4.870 . 0 0 "[ . 1 . 2]" 2 319 1 53 TRP HE1 1 55 ALA HA . . 3.600 3.567 3.487 3.603 0.003 19 0 "[ . 1 . 2]" 2 320 1 55 ALA H 1 55 ALA MB . . 3.100 2.196 2.064 2.265 . 0 0 "[ . 1 . 2]" 2 321 1 55 ALA MB 1 58 GLY H . . 4.780 4.594 4.514 4.658 . 0 0 "[ . 1 . 2]" 2 322 1 54 SER HA 1 55 ALA MB . . 4.140 3.976 3.912 4.016 . 0 0 "[ . 1 . 2]" 2 323 1 57 GLU HA 1 58 GLY HA3 . . 4.720 4.575 4.564 4.583 . 0 0 "[ . 1 . 2]" 2 324 1 57 GLU HB2 1 61 VAL MG1 . . 4.300 3.366 2.946 3.631 . 0 0 "[ . 1 . 2]" 2 325 1 54 SER QB 1 57 GLU QG . . 4.230 2.765 2.522 2.913 . 0 0 "[ . 1 . 2]" 2 326 1 57 GLU QG 1 61 VAL MG2 . . 3.860 2.546 2.221 3.189 . 0 0 "[ . 1 . 2]" 2 327 1 57 GLU QG 1 59 GLY H . . 4.550 4.543 4.520 4.554 0.004 14 0 "[ . 1 . 2]" 2 328 1 61 VAL HA 1 62 ARG HA . . 4.410 4.342 4.332 4.351 . 0 0 "[ . 1 . 2]" 2 329 1 61 VAL HB 1 62 ARG H . . 3.270 2.859 2.776 3.043 . 0 0 "[ . 1 . 2]" 2 330 1 54 SER QB 1 61 VAL HB . . 4.850 4.785 4.680 4.854 0.004 5 0 "[ . 1 . 2]" 2 331 1 60 PHE HA 1 61 VAL MG1 . . 4.130 4.070 3.915 4.136 0.006 2 0 "[ . 1 . 2]" 2 332 1 61 VAL MG2 1 62 ARG HA . . 4.470 4.428 4.347 4.478 0.008 5 0 "[ . 1 . 2]" 2 333 1 61 VAL MG2 1 62 ARG H . . 4.030 3.908 3.831 3.975 . 0 0 "[ . 1 . 2]" 2 334 1 61 VAL HA 1 61 VAL MG2 . . 3.310 3.187 3.179 3.197 . 0 0 "[ . 1 . 2]" 2 335 1 6 LEU HG 1 63 GLU HB2 . . 4.820 4.192 3.822 4.553 . 0 0 "[ . 1 . 2]" 2 336 1 52 THR MG 1 63 GLU HB2 . . 5.350 5.180 4.559 5.355 0.005 20 0 "[ . 1 . 2]" 2 337 1 63 GLU HA 1 63 GLU HG3 . . 3.800 3.754 3.671 3.803 0.003 20 0 "[ . 1 . 2]" 2 338 1 6 LEU H 1 65 TYR HA . . 5.500 5.006 4.930 5.139 . 0 0 "[ . 1 . 2]" 2 339 1 48 GLY H 1 65 TYR HA . . 5.500 5.221 5.160 5.298 . 0 0 "[ . 1 . 2]" 2 340 1 65 TYR HA 1 65 TYR QD . . 3.890 3.735 3.731 3.740 . 0 0 "[ . 1 . 2]" 2 341 1 65 TYR HA 1 66 ILE H . . 3.240 2.253 2.239 2.272 . 0 0 "[ . 1 . 2]" 2 342 1 27 GLY H 1 65 TYR HA . . 4.610 4.556 4.454 4.618 0.008 12 0 "[ . 1 . 2]" 2 343 1 6 LEU HB2 1 65 TYR HA . . 4.290 4.131 4.074 4.185 . 0 0 "[ . 1 . 2]" 2 344 1 6 LEU HB3 1 65 TYR HA . . 3.670 2.584 2.514 2.664 . 0 0 "[ . 1 . 2]" 2 345 1 65 TYR HA 1 66 ILE HG13 . . 3.840 3.598 3.540 3.652 . 0 0 "[ . 1 . 2]" 2 346 1 6 LEU MD1 1 65 TYR HB3 . . 4.080 1.985 1.937 2.050 . 0 0 "[ . 1 . 2]" 2 347 1 7 GLY HA3 1 66 ILE HB . . 4.200 2.003 1.993 2.023 . 0 0 "[ . 1 . 2]" 2 348 1 66 ILE HB 1 66 ILE MD . . 3.640 2.313 2.209 2.397 . 0 0 "[ . 1 . 2]" 2 349 1 65 TYR HB2 1 66 ILE HB . . 5.500 5.538 5.499 5.571 0.071 13 0 "[ . 1 . 2]" 2 350 1 7 GLY HA3 1 66 ILE MD . . 4.240 3.604 3.480 3.693 . 0 0 "[ . 1 . 2]" 2 351 1 66 ILE HA 1 66 ILE MD . . 3.910 3.861 3.846 3.871 . 0 0 "[ . 1 . 2]" 2 352 1 7 GLY H 1 66 ILE MD . . 5.500 5.412 5.273 5.511 0.011 20 0 "[ . 1 . 2]" 2 353 1 10 ILE H 1 66 ILE MD . . 5.500 5.241 5.091 5.357 . 0 0 "[ . 1 . 2]" 2 354 1 39 ALA H 1 66 ILE MD . . 4.460 3.931 3.478 4.343 . 0 0 "[ . 1 . 2]" 2 355 1 66 ILE MD 1 66 ILE MG . . 3.210 2.044 1.931 2.212 . 0 0 "[ . 1 . 2]" 2 356 1 10 ILE HB 1 66 ILE MD . . 4.000 3.766 3.747 3.784 . 0 0 "[ . 1 . 2]" 2 357 1 39 ALA H 1 66 ILE MG . . 4.230 3.879 3.420 4.200 . 0 0 "[ . 1 . 2]" 2 358 1 10 ILE H 1 66 ILE MG . . 5.350 5.054 5.002 5.108 . 0 0 "[ . 1 . 2]" 2 359 1 10 ILE MG 1 66 ILE MG . . 3.390 3.124 2.977 3.240 . 0 0 "[ . 1 . 2]" 2 360 1 10 ILE HB 1 66 ILE MG . . 4.050 3.299 3.235 3.369 . 0 0 "[ . 1 . 2]" 2 361 1 45 TYR HB2 1 66 ILE MG . . 3.690 2.978 2.847 3.210 . 0 0 "[ . 1 . 2]" 2 362 1 45 TYR HB3 1 66 ILE MG . . 4.070 2.389 2.224 2.655 . 0 0 "[ . 1 . 2]" 2 363 1 7 GLY HA3 1 66 ILE MG . . 4.230 2.719 2.567 2.795 . 0 0 "[ . 1 . 2]" 2 364 1 66 ILE HA 1 66 ILE MG . . 3.410 2.365 2.317 2.400 . 0 0 "[ . 1 . 2]" 2 365 1 47 SER HA 1 66 ILE MG . . 4.060 3.842 3.717 3.996 . 0 0 "[ . 1 . 2]" 2 366 1 45 TYR QD 1 66 ILE MG . . 3.780 3.413 3.245 3.657 . 0 0 "[ . 1 . 2]" 2 367 1 7 GLY H 1 66 ILE MG . . 5.500 4.933 4.829 5.002 . 0 0 "[ . 1 . 2]" 2 368 1 45 TYR H 1 66 ILE MG . . 5.500 5.165 5.049 5.397 . 0 0 "[ . 1 . 2]" 2 369 1 39 ALA H 1 66 ILE HG12 . . 5.060 4.107 3.547 4.559 . 0 0 "[ . 1 . 2]" 2 370 1 7 GLY HA2 1 10 ILE HG13 . . 4.510 2.881 2.627 3.012 . 0 0 "[ . 1 . 2]" 2 371 1 67 CYS QB 1 68 ALA MB . . 4.380 4.203 3.995 4.382 0.002 4 0 "[ . 1 . 2]" 2 372 1 67 CYS HA 1 68 ALA MB . . 4.060 4.015 3.962 4.043 . 0 0 "[ . 1 . 2]" 2 373 1 68 ALA MB 1 71 SER HB2 . . 4.070 2.243 1.910 3.238 . 0 0 "[ . 1 . 2]" 2 374 1 68 ALA MB 1 71 SER HB3 . . 4.070 2.471 1.874 3.256 . 0 0 "[ . 1 . 2]" 2 375 1 44 THR HA 1 68 ALA MB . . 5.280 5.042 4.834 5.142 . 0 0 "[ . 1 . 2]" 2 376 1 45 TYR QE 1 68 ALA MB . . 3.440 2.637 2.335 2.917 . 0 0 "[ . 1 . 2]" 2 377 1 45 TYR QD 1 68 ALA MB . . 3.850 2.318 2.008 2.557 . 0 0 "[ . 1 . 2]" 2 378 1 68 ALA MB 1 69 VAL MG2 . . 4.340 4.214 4.051 4.332 . 0 0 "[ . 1 . 2]" 2 379 1 69 VAL HA 1 69 VAL MG2 . . 2.620 2.413 2.393 2.430 . 0 0 "[ . 1 . 2]" 2 380 1 55 ALA MB 1 56 MET HB2 . . 4.520 4.467 4.384 4.523 0.003 13 0 "[ . 1 . 2]" 2 381 1 68 ALA MB 1 69 VAL HA . . 4.370 4.333 4.261 4.384 0.014 15 0 "[ . 1 . 2]" 2 382 1 46 SER QB 1 69 VAL MG2 . . 2.920 2.325 1.969 2.787 . 0 0 "[ . 1 . 2]" 2 383 1 45 TYR HA 1 69 VAL MG2 . . 3.720 3.232 3.011 3.489 . 0 0 "[ . 1 . 2]" 2 384 1 68 ALA HA 1 69 VAL MG2 . . 4.010 3.509 3.451 3.555 . 0 0 "[ . 1 . 2]" 2 385 1 45 TYR QD 1 69 VAL MG2 . . 4.780 4.501 4.429 4.616 . 0 0 "[ . 1 . 2]" 2 386 1 69 VAL MG2 1 70 GLU H . . 3.620 3.639 3.625 3.648 0.028 18 0 "[ . 1 . 2]" 2 387 1 70 GLU HA 1 70 GLU QG . . 3.410 3.296 2.627 3.390 . 0 0 "[ . 1 . 2]" 2 388 1 69 VAL MG2 1 70 GLU QG . . 4.600 4.532 4.047 4.620 0.020 15 0 "[ . 1 . 2]" 2 389 1 68 ALA MB 1 70 GLU QG . . 4.300 3.078 2.770 4.048 . 0 0 "[ . 1 . 2]" 2 390 1 73 MET HA 1 73 MET HG3 . . 3.890 3.241 2.238 3.842 . 0 0 "[ . 1 . 2]" 2 391 1 10 ILE MG 1 40 ASP HB3 . . 5.430 5.065 4.934 5.262 . 0 0 "[ . 1 . 2]" 2 392 1 10 ILE HG13 1 10 ILE MG . . 3.510 3.202 3.192 3.204 . 0 0 "[ . 1 . 2]" 2 393 1 7 GLY HA3 1 10 ILE HB . . 4.700 3.711 3.564 3.835 . 0 0 "[ . 1 . 2]" 2 394 1 7 GLY HA2 1 10 ILE HB . . 4.780 4.080 3.912 4.160 . 0 0 "[ . 1 . 2]" 2 395 1 43 LYS QB 1 44 THR HA . . 4.280 4.099 4.074 4.123 . 0 0 "[ . 1 . 2]" 2 396 1 6 LEU HG 1 26 PRO HB3 . . 5.500 4.850 4.585 5.127 . 0 0 "[ . 1 . 2]" 2 397 1 17 LEU MD1 1 35 GLU HB2 . . 5.500 4.862 4.430 5.067 . 0 0 "[ . 1 . 2]" 2 398 1 8 TYR QB 1 26 PRO HA . . 5.500 5.425 5.189 5.517 0.017 12 0 "[ . 1 . 2]" 2 399 1 6 LEU HB3 1 6 LEU MD1 . . 3.580 2.480 2.463 2.504 . 0 0 "[ . 1 . 2]" 2 400 1 6 LEU MD1 1 65 TYR HB2 . . 3.980 2.723 2.650 2.832 . 0 0 "[ . 1 . 2]" 2 401 1 5 ASN HA 1 6 LEU MD1 . . 4.820 4.541 4.522 4.567 . 0 0 "[ . 1 . 2]" 2 402 1 16 LYS HA 1 17 LEU HB2 . . 4.480 4.450 4.415 4.495 0.015 12 0 "[ . 1 . 2]" 2 403 1 64 CYS HB3 1 65 TYR H . . 4.460 3.367 2.791 4.046 . 0 0 "[ . 1 . 2]" 2 404 1 31 SER H 1 31 SER HB2 . . 3.710 2.386 2.314 2.607 . 0 0 "[ . 1 . 2]" 2 405 1 37 CYS H 1 37 CYS HB3 . . 3.630 3.368 3.167 3.485 . 0 0 "[ . 1 . 2]" 2 406 1 53 TRP H 1 53 TRP HB3 . . 3.620 2.482 2.469 2.519 . 0 0 "[ . 1 . 2]" 2 407 1 49 CYS H 1 49 CYS HB3 . . 3.500 2.850 2.833 2.870 . 0 0 "[ . 1 . 2]" 2 408 1 57 GLU H 1 57 GLU HB3 . . 3.610 3.602 3.598 3.610 0.000 6 0 "[ . 1 . 2]" 2 409 1 53 TRP H 1 53 TRP HB2 . . 3.430 2.584 2.545 2.597 . 0 0 "[ . 1 . 2]" 2 410 1 29 SER H 1 29 SER QB . . 2.650 2.364 2.068 2.468 . 0 0 "[ . 1 . 2]" 2 411 1 37 CYS H 1 37 CYS HB2 . . 3.700 2.140 2.105 2.183 . 0 0 "[ . 1 . 2]" 2 412 1 36 CYS H 1 36 CYS HB2 . . 3.540 2.250 2.175 2.770 . 0 0 "[ . 1 . 2]" 2 413 1 42 GLN H 1 42 GLN HB2 . . 3.700 3.585 3.567 3.592 . 0 0 "[ . 1 . 2]" 2 414 1 44 THR H 1 44 THR HB . . 3.670 3.645 3.621 3.686 0.016 5 0 "[ . 1 . 2]" 2 415 1 56 MET H 1 56 MET HG2 . . 3.800 3.070 2.509 3.701 . 0 0 "[ . 1 . 2]" 2 416 1 32 LYS H 1 32 LYS HB2 . . 3.770 2.862 2.849 2.882 . 0 0 "[ . 1 . 2]" 2 417 1 41 ASP H 1 41 ASP HB2 . . 3.210 2.601 2.457 2.705 . 0 0 "[ . 1 . 2]" 2 418 1 28 ASP H 1 28 ASP HB3 . . 3.550 3.468 2.981 3.551 0.001 14 0 "[ . 1 . 2]" 2 419 1 72 SER H 1 72 SER HB3 . . 3.510 2.921 2.272 3.505 . 0 0 "[ . 1 . 2]" 2 420 1 35 GLU H 1 35 GLU HB3 . . 3.770 3.593 3.588 3.594 . 0 0 "[ . 1 . 2]" 2 421 1 62 ARG H 1 62 ARG QB . . 3.420 2.480 2.315 2.550 . 0 0 "[ . 1 . 2]" 2 422 1 69 VAL H 1 69 VAL HB . . 3.420 2.641 2.626 2.672 . 0 0 "[ . 1 . 2]" 2 423 1 43 LYS H 1 43 LYS QB . . 2.690 2.488 2.374 2.603 . 0 0 "[ . 1 . 2]" 2 424 1 63 GLU H 1 63 GLU HB2 . . 4.010 3.758 3.690 3.779 . 0 0 "[ . 1 . 2]" 2 425 1 66 ILE H 1 66 ILE HB . . 3.740 2.772 2.764 2.781 . 0 0 "[ . 1 . 2]" 2 426 1 17 LEU HB2 1 21 GLN H . . 3.500 3.547 3.534 3.558 0.058 4 0 "[ . 1 . 2]" 2 427 1 61 VAL H 1 61 VAL HB . . 4.090 3.822 3.798 3.857 . 0 0 "[ . 1 . 2]" 2 428 1 45 TYR H 1 45 TYR HB3 . . 3.830 3.687 3.678 3.695 . 0 0 "[ . 1 . 2]" 2 429 1 23 CYS H 1 23 CYS HB3 . . 3.590 3.587 3.584 3.592 0.002 18 0 "[ . 1 . 2]" 2 430 1 46 SER H 1 46 SER QB . . 3.150 2.326 2.234 2.412 . 0 0 "[ . 1 . 2]" 2 431 1 71 SER H 1 71 SER HB2 . . 3.590 2.458 2.233 2.998 . 0 0 "[ . 1 . 2]" 2 432 1 71 SER H 1 71 SER HB3 . . 3.590 3.145 2.413 3.560 . 0 0 "[ . 1 . 2]" 2 433 1 69 VAL HB 1 70 GLU H . . 3.100 2.465 2.456 2.536 . 0 0 "[ . 1 . 2]" 2 434 1 19 ASN H 1 19 ASN HB3 . . 3.770 3.524 2.379 3.617 . 0 0 "[ . 1 . 2]" 2 435 1 45 TYR H 1 45 TYR HB2 . . 3.880 2.697 2.681 2.706 . 0 0 "[ . 1 . 2]" 2 436 1 24 LYS H 1 24 LYS HB2 . . 3.160 2.263 2.173 2.362 . 0 0 "[ . 1 . 2]" 2 437 1 35 GLU H 1 35 GLU HB2 . . 3.900 2.522 2.474 2.545 . 0 0 "[ . 1 . 2]" 2 438 1 36 CYS H 1 36 CYS HB3 . . 3.540 2.889 2.394 2.980 . 0 0 "[ . 1 . 2]" 2 439 1 57 GLU H 1 57 GLU HB2 . . 3.040 2.618 2.596 2.662 . 0 0 "[ . 1 . 2]" 2 440 1 64 CYS H 1 64 CYS HB2 . . 3.740 2.249 2.127 2.521 . 0 0 "[ . 1 . 2]" 2 441 1 22 LEU H 1 22 LEU HB2 . . 3.460 2.341 2.313 2.363 . 0 0 "[ . 1 . 2]" 2 442 1 68 ALA H 1 68 ALA MB . . 3.000 2.114 2.029 2.272 . 0 0 "[ . 1 . 2]" 2 443 1 22 LEU H 1 22 LEU HG . . 2.870 2.855 2.801 2.876 0.006 13 0 "[ . 1 . 2]" 2 444 1 54 SER QB 1 59 GLY H . . 3.390 2.869 2.757 3.116 . 0 0 "[ . 1 . 2]" 2 445 1 52 THR H 1 62 ARG HA . . 4.390 3.440 3.300 3.668 . 0 0 "[ . 1 . 2]" 2 446 1 70 GLU H 1 70 GLU HB2 . . 3.950 3.518 2.700 3.644 . 0 0 "[ . 1 . 2]" 2 447 1 38 LYS H 1 38 LYS HB2 . . 3.360 2.698 2.560 2.800 . 0 0 "[ . 1 . 2]" 2 448 1 42 GLN H 1 42 GLN HB3 . . 3.100 2.523 2.352 2.656 . 0 0 "[ . 1 . 2]" 2 449 1 28 ASP H 1 28 ASP HB2 . . 3.550 2.237 2.153 2.276 . 0 0 "[ . 1 . 2]" 2 450 1 56 MET H 1 56 MET HB2 . . 2.760 2.312 2.270 2.406 . 0 0 "[ . 1 . 2]" 2 451 1 54 SER H 1 54 SER QB . . 3.030 2.403 2.348 2.527 . 0 0 "[ . 1 . 2]" 2 452 1 73 MET H 1 73 MET HB2 . . 3.630 2.609 2.272 3.591 . 0 0 "[ . 1 . 2]" 2 453 1 19 ASN H 1 19 ASN HB2 . . 3.770 2.506 2.210 3.590 . 0 0 "[ . 1 . 2]" 2 454 1 31 SER H 1 31 SER HB3 . . 3.710 3.385 2.845 3.670 . 0 0 "[ . 1 . 2]" 2 455 1 23 CYS H 1 23 CYS HB2 . . 3.810 2.616 2.430 2.654 . 0 0 "[ . 1 . 2]" 2 456 1 52 THR HB 1 53 TRP H . . 3.830 3.241 3.124 3.318 . 0 0 "[ . 1 . 2]" 2 457 1 67 CYS H 1 67 CYS QB . . 3.650 2.657 2.573 2.794 . 0 0 "[ . 1 . 2]" 2 458 1 40 ASP H 1 40 ASP HB2 . . 3.020 2.337 2.317 2.373 . 0 0 "[ . 1 . 2]" 2 459 1 60 PHE H 1 60 PHE HB3 . . 3.620 3.556 3.551 3.565 . 0 0 "[ . 1 . 2]" 2 460 1 73 MET H 1 73 MET HB3 . . 3.630 3.365 2.398 3.627 . 0 0 "[ . 1 . 2]" 2 461 1 3 ARG H 1 3 ARG HB3 . . 3.730 3.173 2.508 3.593 . 0 0 "[ . 1 . 2]" 2 462 1 19 ASN H 1 20 GLY H . . 3.190 2.413 2.366 2.451 . 0 0 "[ . 1 . 2]" 2 463 1 17 LEU H 1 19 ASN H . . 4.690 4.716 4.706 4.731 0.041 10 0 "[ . 1 . 2]" 2 464 1 17 LEU H 1 21 GLN H . . 4.700 4.707 4.674 4.722 0.022 19 0 "[ . 1 . 2]" 2 465 1 20 GLY H 1 21 GLN H . . 3.070 2.557 2.539 2.570 . 0 0 "[ . 1 . 2]" 2 466 1 18 PRO HA 1 19 ASN H . . 3.570 3.415 3.398 3.426 . 0 0 "[ . 1 . 2]" 2 467 1 18 PRO HD2 1 19 ASN H . . 3.600 2.787 2.767 2.816 . 0 0 "[ . 1 . 2]" 2 468 1 17 LEU MD2 1 19 ASN H . . 4.060 3.974 3.884 4.027 . 0 0 "[ . 1 . 2]" 2 469 1 18 PRO HB3 1 19 ASN H . . 4.630 4.371 4.355 4.394 . 0 0 "[ . 1 . 2]" 2 470 1 17 LEU HB2 1 19 ASN H . . 3.390 3.171 3.122 3.209 . 0 0 "[ . 1 . 2]" 2 471 1 17 LEU MD1 1 20 GLY H . . 5.060 4.891 4.854 4.938 . 0 0 "[ . 1 . 2]" 2 472 1 17 LEU HB2 1 20 GLY H . . 3.800 3.472 3.433 3.523 . 0 0 "[ . 1 . 2]" 2 473 1 20 GLY H 1 21 GLN QG . . 4.750 4.578 4.426 4.705 . 0 0 "[ . 1 . 2]" 2 474 1 19 ASN HB3 1 20 GLY H . . 4.350 4.012 3.775 4.252 . 0 0 "[ . 1 . 2]" 2 475 1 19 ASN HB2 1 20 GLY H . . 4.350 3.213 3.115 4.275 . 0 0 "[ . 1 . 2]" 2 476 1 17 LEU MD1 1 21 GLN H . . 4.410 4.237 4.213 4.273 . 0 0 "[ . 1 . 2]" 2 477 1 18 PRO HD2 1 20 GLY H . . 5.080 4.805 4.789 4.848 . 0 0 "[ . 1 . 2]" 2 478 1 19 ASN HB3 1 21 GLN H . . 4.870 3.615 3.182 4.267 . 0 0 "[ . 1 . 2]" 2 479 1 19 ASN HB2 1 21 GLN H . . 4.870 2.901 2.587 4.062 . 0 0 "[ . 1 . 2]" 2 480 1 21 GLN H 1 21 GLN QG . . 2.890 2.397 2.252 2.559 . 0 0 "[ . 1 . 2]" 2 481 1 19 ASN H 1 21 GLN H . . 3.990 3.955 3.904 3.981 . 0 0 "[ . 1 . 2]" 2 482 1 21 GLN H 1 22 LEU H . . 4.760 4.548 4.542 4.551 . 0 0 "[ . 1 . 2]" 2 483 1 17 LEU H 1 23 CYS H . . 4.370 4.306 4.142 4.373 0.003 20 0 "[ . 1 . 2]" 2 484 1 19 ASN HA 1 21 GLN H . . 4.750 4.547 4.541 4.558 . 0 0 "[ . 1 . 2]" 2 485 1 21 GLN HA 1 22 LEU H . . 2.780 2.446 2.443 2.447 . 0 0 "[ . 1 . 2]" 2 486 1 21 GLN HB3 1 22 LEU H . . 3.510 2.383 2.356 2.417 . 0 0 "[ . 1 . 2]" 2 487 1 21 GLN HB2 1 22 LEU H . . 3.510 3.403 3.329 3.470 . 0 0 "[ . 1 . 2]" 2 488 1 21 GLN QG 1 22 LEU H . . 4.320 4.175 4.017 4.320 . 0 0 "[ . 1 . 2]" 2 489 1 22 LEU H 1 22 LEU MD2 . . 3.660 3.669 3.658 3.676 0.016 13 0 "[ . 1 . 2]" 2 490 1 17 LEU MD1 1 23 CYS H . . 3.570 2.992 2.894 3.141 . 0 0 "[ . 1 . 2]" 2 491 1 17 LEU MD1 1 24 LYS H . . 4.080 3.830 3.665 4.006 . 0 0 "[ . 1 . 2]" 2 492 1 22 LEU HB2 1 23 CYS H . . 3.920 3.834 3.811 3.871 . 0 0 "[ . 1 . 2]" 2 493 1 22 LEU HB3 1 23 CYS H . . 3.330 2.563 2.549 2.615 . 0 0 "[ . 1 . 2]" 2 494 1 24 LYS HD3 1 25 GLU H . . 3.890 2.424 2.152 2.690 . 0 0 "[ . 1 . 2]" 2 495 1 23 CYS H 1 37 CYS HB2 . . 5.330 5.309 5.069 5.351 0.021 9 0 "[ . 1 . 2]" 2 496 1 24 LYS H 1 37 CYS HB2 . . 4.630 3.746 3.480 3.966 . 0 0 "[ . 1 . 2]" 2 497 1 23 CYS HB3 1 24 LYS H . . 3.350 2.434 2.237 2.530 . 0 0 "[ . 1 . 2]" 2 498 1 23 CYS HB2 1 24 LYS H . . 3.600 3.550 3.408 3.607 0.007 19 0 "[ . 1 . 2]" 2 499 1 24 LYS H 1 25 GLU HG2 . . 5.500 5.522 5.498 5.552 0.052 8 0 "[ . 1 . 2]" 2 500 1 22 LEU HA 1 23 CYS H . . 2.890 2.343 2.322 2.348 . 0 0 "[ . 1 . 2]" 2 501 1 16 LYS HA 1 23 CYS H . . 4.230 4.079 3.825 4.239 0.009 17 0 "[ . 1 . 2]" 2 502 1 23 CYS HA 1 24 LYS H . . 3.180 2.409 2.367 2.488 . 0 0 "[ . 1 . 2]" 2 503 1 24 LYS HA 1 25 GLU H . . 3.060 2.296 2.262 2.369 . 0 0 "[ . 1 . 2]" 2 504 1 24 LYS H 1 37 CYS H . . 3.760 3.050 2.742 3.203 . 0 0 "[ . 1 . 2]" 2 505 1 24 LYS H 1 25 GLU H . . 4.790 4.561 4.521 4.588 . 0 0 "[ . 1 . 2]" 2 506 1 23 CYS H 1 24 LYS H . . 4.820 4.639 4.623 4.646 . 0 0 "[ . 1 . 2]" 2 507 1 25 GLU H 1 28 ASP H . . 4.720 4.679 4.611 4.722 0.002 9 0 "[ . 1 . 2]" 2 508 1 24 LYS H 1 36 CYS H . . 4.940 4.945 4.722 4.989 0.049 19 0 "[ . 1 . 2]" 2 509 1 24 LYS H 1 36 CYS HA . . 3.900 2.999 2.448 3.098 . 0 0 "[ . 1 . 2]" 2 510 1 24 LYS QE 1 25 GLU H . . 4.230 4.143 3.636 4.238 0.008 17 0 "[ . 1 . 2]" 2 511 1 25 GLU H 1 25 GLU HG2 . . 3.390 2.535 2.520 2.591 . 0 0 "[ . 1 . 2]" 2 512 1 25 GLU H 1 25 GLU HG3 . . 3.580 2.852 2.624 3.135 . 0 0 "[ . 1 . 2]" 2 513 1 24 LYS HB2 1 25 GLU H . . 4.390 4.086 3.964 4.169 . 0 0 "[ . 1 . 2]" 2 514 1 24 LYS HD2 1 25 GLU H . . 4.690 3.838 3.191 4.289 . 0 0 "[ . 1 . 2]" 2 515 1 27 GLY H 1 28 ASP H . . 3.340 2.768 2.710 2.830 . 0 0 "[ . 1 . 2]" 2 516 1 27 GLY H 1 64 CYS HA . . 4.570 4.441 4.335 4.579 0.009 8 0 "[ . 1 . 2]" 2 517 1 28 ASP HB2 1 29 SER H . . 4.190 4.065 3.890 4.194 0.004 8 0 "[ . 1 . 2]" 2 518 1 26 PRO HB3 1 27 GLY H . . 4.320 4.168 4.134 4.216 . 0 0 "[ . 1 . 2]" 2 519 1 27 GLY H 1 63 GLU HB2 . . 4.590 3.045 2.598 3.679 . 0 0 "[ . 1 . 2]" 2 520 1 6 LEU HB3 1 27 GLY H . . 3.880 3.695 3.575 3.810 . 0 0 "[ . 1 . 2]" 2 521 1 26 PRO HB2 1 27 GLY H . . 4.100 3.770 3.722 3.836 . 0 0 "[ . 1 . 2]" 2 522 1 6 LEU HG 1 27 GLY H . . 3.680 3.284 3.027 3.470 . 0 0 "[ . 1 . 2]" 2 523 1 29 SER H 1 30 CYS H . . 5.110 4.635 4.621 4.647 . 0 0 "[ . 1 . 2]" 2 524 1 30 CYS H 1 62 ARG H . . 4.100 3.866 3.720 4.075 . 0 0 "[ . 1 . 2]" 2 525 1 30 CYS H 1 31 SER H . . 4.770 4.437 4.417 4.442 . 0 0 "[ . 1 . 2]" 2 526 1 30 CYS H 1 63 GLU HA . . 3.970 3.990 3.976 4.007 0.037 19 0 "[ . 1 . 2]" 2 527 1 29 SER HA 1 30 CYS H . . 3.110 2.292 2.260 2.413 . 0 0 "[ . 1 . 2]" 2 528 1 28 ASP HA 1 29 SER H . . 2.880 2.288 2.218 2.389 . 0 0 "[ . 1 . 2]" 2 529 1 29 SER QB 1 30 CYS H . . 3.200 2.745 2.399 3.203 0.003 8 0 "[ . 1 . 2]" 2 530 1 34 ASP H 1 34 ASP HB3 . . 3.720 3.135 2.453 3.592 . 0 0 "[ . 1 . 2]" 2 531 1 30 CYS H 1 61 VAL HB . . 4.830 4.698 4.570 4.820 . 0 0 "[ . 1 . 2]" 2 532 1 30 CYS H 1 62 ARG QB . . 3.800 2.841 2.655 2.963 . 0 0 "[ . 1 . 2]" 2 533 1 30 CYS H 1 61 VAL MG1 . . 5.500 5.506 5.479 5.512 0.012 8 0 "[ . 1 . 2]" 2 534 1 29 SER H 1 61 VAL HB . . 5.460 5.311 4.952 5.467 0.007 10 0 "[ . 1 . 2]" 2 535 1 32 LYS H 1 33 ARG H . . 4.500 4.336 4.325 4.347 . 0 0 "[ . 1 . 2]" 2 536 1 31 SER H 1 32 LYS H . . 2.900 2.049 1.998 2.078 . 0 0 "[ . 1 . 2]" 2 537 1 32 LYS H 1 34 ASP H . . 5.010 4.866 4.806 4.896 . 0 0 "[ . 1 . 2]" 2 538 1 30 CYS HA 1 32 LYS H . . 4.450 4.380 4.354 4.420 . 0 0 "[ . 1 . 2]" 2 539 1 30 CYS HA 1 31 SER H . . 3.310 2.543 2.540 2.546 . 0 0 "[ . 1 . 2]" 2 540 1 31 SER HB2 1 32 LYS H . . 3.810 3.167 2.853 3.710 . 0 0 "[ . 1 . 2]" 2 541 1 31 SER HB3 1 32 LYS H . . 3.810 3.341 2.814 3.768 . 0 0 "[ . 1 . 2]" 2 542 1 30 CYS HB3 1 32 LYS H . . 4.030 3.118 3.092 3.165 . 0 0 "[ . 1 . 2]" 2 543 1 30 CYS HB2 1 32 LYS H . . 3.570 3.378 3.319 3.464 . 0 0 "[ . 1 . 2]" 2 544 1 30 CYS HB3 1 31 SER H . . 3.940 2.338 2.333 2.345 . 0 0 "[ . 1 . 2]" 2 545 1 30 CYS HB2 1 31 SER H . . 3.620 3.015 2.999 3.023 . 0 0 "[ . 1 . 2]" 2 546 1 33 ARG H 1 33 ARG QD . . 5.090 4.485 4.254 4.838 . 0 0 "[ . 1 . 2]" 2 547 1 33 ARG H 1 49 CYS HB3 . . 4.690 4.594 4.529 4.659 . 0 0 "[ . 1 . 2]" 2 548 1 31 SER H 1 35 GLU HB2 . . 4.510 3.233 3.090 3.343 . 0 0 "[ . 1 . 2]" 2 549 1 31 SER H 1 35 GLU HB3 . . 4.490 3.711 3.545 3.858 . 0 0 "[ . 1 . 2]" 2 550 1 32 LYS H 1 35 GLU HB3 . . 4.040 3.867 3.729 4.011 . 0 0 "[ . 1 . 2]" 2 551 1 31 SER H 1 32 LYS HB2 . . 4.900 4.649 4.606 4.743 . 0 0 "[ . 1 . 2]" 2 552 1 31 SER H 1 32 LYS QG . . 4.990 4.851 4.574 4.939 . 0 0 "[ . 1 . 2]" 2 553 1 32 LYS H 1 32 LYS QG . . 3.650 3.513 3.287 3.590 . 0 0 "[ . 1 . 2]" 2 554 1 33 ARG H 1 34 ASP H . . 3.680 2.736 2.718 2.747 . 0 0 "[ . 1 . 2]" 2 555 1 34 ASP H 1 35 GLU H . . 3.340 2.565 2.490 2.594 . 0 0 "[ . 1 . 2]" 2 556 1 32 LYS HA 1 34 ASP H . . 4.200 4.085 4.012 4.120 . 0 0 "[ . 1 . 2]" 2 557 1 33 ARG QD 1 34 ASP H . . 5.170 4.746 3.556 5.174 0.004 17 0 "[ . 1 . 2]" 2 558 1 34 ASP H 1 35 GLU HB2 . . 4.880 4.866 4.780 4.888 0.008 9 0 "[ . 1 . 2]" 2 559 1 32 LYS QG 1 34 ASP H . . 4.710 4.540 4.481 4.589 . 0 0 "[ . 1 . 2]" 2 560 1 33 ARG H 1 33 ARG QG . . 4.070 3.927 3.860 3.971 . 0 0 "[ . 1 . 2]" 2 561 1 33 ARG QG 1 34 ASP H . . 4.230 4.037 3.765 4.231 0.001 14 0 "[ . 1 . 2]" 2 562 1 32 LYS HB2 1 34 ASP H . . 4.010 3.526 3.300 3.604 . 0 0 "[ . 1 . 2]" 2 563 1 32 LYS HB2 1 35 GLU H . . 4.270 3.213 3.053 3.291 . 0 0 "[ . 1 . 2]" 2 564 1 32 LYS H 1 35 GLU H . . 4.890 3.579 3.520 3.625 . 0 0 "[ . 1 . 2]" 2 565 1 33 ARG HA 1 36 CYS H . . 4.520 3.583 3.530 3.656 . 0 0 "[ . 1 . 2]" 2 566 1 30 CYS HB3 1 36 CYS H . . 4.620 4.599 4.486 4.666 0.046 17 0 "[ . 1 . 2]" 2 567 1 30 CYS HB2 1 35 GLU H . . 5.500 5.556 5.543 5.567 0.067 12 0 "[ . 1 . 2]" 2 568 1 35 GLU HB2 1 36 CYS H . . 3.810 2.833 2.824 2.838 . 0 0 "[ . 1 . 2]" 2 569 1 35 GLU HB3 1 36 CYS H . . 4.130 3.860 3.806 3.883 . 0 0 "[ . 1 . 2]" 2 570 1 33 ARG QG 1 36 CYS H . . 4.850 4.470 4.367 4.628 . 0 0 "[ . 1 . 2]" 2 571 1 17 LEU MD1 1 35 GLU H . . 5.500 4.909 4.388 5.190 . 0 0 "[ . 1 . 2]" 2 572 1 17 LEU MD2 1 35 GLU H . . 5.500 5.253 4.634 5.492 . 0 0 "[ . 1 . 2]" 2 573 1 17 LEU MD1 1 36 CYS H . . 5.500 5.007 4.512 5.243 . 0 0 "[ . 1 . 2]" 2 574 1 17 LEU MD2 1 36 CYS H . . 5.500 5.335 4.679 5.504 0.004 5 0 "[ . 1 . 2]" 2 575 1 36 CYS HB3 1 37 CYS H . . 4.720 3.997 3.825 4.366 . 0 0 "[ . 1 . 2]" 2 576 1 38 LYS H 1 38 LYS HG2 . . 3.540 3.201 2.623 3.540 . 0 0 "[ . 1 . 2]" 2 577 1 24 LYS HB2 1 37 CYS H . . 4.440 4.032 3.734 4.349 . 0 0 "[ . 1 . 2]" 2 578 1 24 LYS HB2 1 36 CYS H . . 4.520 4.197 3.978 4.452 . 0 0 "[ . 1 . 2]" 2 579 1 37 CYS HB2 1 38 LYS H . . 3.920 3.629 3.535 3.664 . 0 0 "[ . 1 . 2]" 2 580 1 15 VAL MG2 1 38 LYS H . . 4.650 4.348 3.732 4.555 . 0 0 "[ . 1 . 2]" 2 581 1 23 CYS HB3 1 38 LYS H . . 5.440 5.410 5.131 5.479 0.039 13 0 "[ . 1 . 2]" 2 582 1 23 CYS HB3 1 37 CYS H . . 4.170 2.895 2.438 3.046 . 0 0 "[ . 1 . 2]" 2 583 1 37 CYS HB3 1 38 LYS H . . 3.440 2.136 2.027 2.183 . 0 0 "[ . 1 . 2]" 2 584 1 36 CYS HB2 1 37 CYS H . . 4.720 4.463 4.286 4.527 . 0 0 "[ . 1 . 2]" 2 585 1 37 CYS HA 1 38 LYS H . . 2.970 2.621 2.587 2.717 . 0 0 "[ . 1 . 2]" 2 586 1 36 CYS HA 1 37 CYS H . . 3.560 2.142 2.138 2.161 . 0 0 "[ . 1 . 2]" 2 587 1 37 CYS H 1 38 LYS H . . 4.670 4.506 4.464 4.529 . 0 0 "[ . 1 . 2]" 2 588 1 39 ALA H 1 40 ASP H . . 5.020 4.609 4.565 4.647 . 0 0 "[ . 1 . 2]" 2 589 1 39 ALA H 1 47 SER H . . 5.380 4.827 4.520 5.387 0.007 16 0 "[ . 1 . 2]" 2 590 1 38 LYS H 1 39 ALA H . . 4.740 4.474 4.254 4.550 . 0 0 "[ . 1 . 2]" 2 591 1 39 ALA H 1 42 GLN H . . 4.910 4.505 4.190 4.867 . 0 0 "[ . 1 . 2]" 2 592 1 36 CYS H 1 37 CYS H . . 4.600 4.492 4.432 4.562 . 0 0 "[ . 1 . 2]" 2 593 1 39 ALA HA 1 40 ASP H . . 3.010 2.421 2.326 2.506 . 0 0 "[ . 1 . 2]" 2 594 1 40 ASP H 1 66 ILE MD . . 4.890 4.895 4.891 4.902 0.012 20 0 "[ . 1 . 2]" 2 595 1 10 ILE MG 1 40 ASP H . . 4.330 3.627 3.444 3.753 . 0 0 "[ . 1 . 2]" 2 596 1 40 ASP H 1 66 ILE MG . . 5.240 4.993 4.867 5.123 . 0 0 "[ . 1 . 2]" 2 597 1 39 ALA MB 1 40 ASP H . . 3.250 2.384 2.173 2.643 . 0 0 "[ . 1 . 2]" 2 598 1 38 LYS HB2 1 39 ALA H . . 4.350 3.800 3.450 4.161 . 0 0 "[ . 1 . 2]" 2 599 1 38 LYS HB3 1 39 ALA H . . 3.990 2.933 2.381 3.461 . 0 0 "[ . 1 . 2]" 2 600 1 39 ALA H 1 42 GLN HB3 . . 4.340 3.182 2.689 3.575 . 0 0 "[ . 1 . 2]" 2 601 1 12 HIS HB3 1 40 ASP H . . 3.900 3.844 3.790 3.902 0.002 18 0 "[ . 1 . 2]" 2 602 1 38 LYS HA 1 39 ALA H . . 3.010 2.252 2.142 2.435 . 0 0 "[ . 1 . 2]" 2 603 1 12 HIS HA 1 40 ASP H . . 3.680 2.484 2.462 2.510 . 0 0 "[ . 1 . 2]" 2 604 1 40 ASP H 1 42 GLN H . . 4.870 4.765 4.646 4.865 . 0 0 "[ . 1 . 2]" 2 605 1 40 ASP H 1 41 ASP H . . 3.340 2.813 2.759 2.833 . 0 0 "[ . 1 . 2]" 2 606 1 41 ASP H 1 42 GLN H . . 4.170 3.183 3.090 3.224 . 0 0 "[ . 1 . 2]" 2 607 1 42 GLN H 1 43 LYS H . . 3.320 2.757 2.740 2.764 . 0 0 "[ . 1 . 2]" 2 608 1 42 GLN H 1 44 THR H . . 4.510 4.340 4.324 4.354 . 0 0 "[ . 1 . 2]" 2 609 1 42 GLN H 1 45 TYR QD . . 5.040 4.861 4.742 4.935 . 0 0 "[ . 1 . 2]" 2 610 1 41 ASP H 1 45 TYR QD . . 3.830 2.901 2.817 3.057 . 0 0 "[ . 1 . 2]" 2 611 1 41 ASP H 1 45 TYR QE . . 4.920 3.613 3.469 3.748 . 0 0 "[ . 1 . 2]" 2 612 1 41 ASP HA 1 42 GLN H . . 2.850 2.643 2.590 2.716 . 0 0 "[ . 1 . 2]" 2 613 1 41 ASP H 1 42 GLN HA . . 4.930 4.499 4.413 4.566 . 0 0 "[ . 1 . 2]" 2 614 1 12 HIS HA 1 41 ASP H . . 5.210 5.219 5.210 5.226 0.016 18 0 "[ . 1 . 2]" 2 615 1 40 ASP HA 1 42 GLN H . . 4.580 4.174 3.973 4.323 . 0 0 "[ . 1 . 2]" 2 616 1 39 ALA HA 1 41 ASP H . . 4.440 4.400 4.248 4.453 0.013 13 0 "[ . 1 . 2]" 2 617 1 41 ASP HB2 1 42 GLN H . . 4.710 4.610 4.563 4.636 . 0 0 "[ . 1 . 2]" 2 618 1 42 GLN H 1 42 GLN HG2 . . 3.620 2.290 2.029 2.532 . 0 0 "[ . 1 . 2]" 2 619 1 41 ASP H 1 41 ASP HB3 . . 3.210 2.914 2.807 2.984 . 0 0 "[ . 1 . 2]" 2 620 1 42 GLN H 1 42 GLN HG3 . . 3.620 3.196 2.566 3.639 0.019 14 0 "[ . 1 . 2]" 2 621 1 40 ASP HB2 1 41 ASP H . . 3.210 2.730 2.658 2.819 . 0 0 "[ . 1 . 2]" 2 622 1 41 ASP HB3 1 42 GLN H . . 4.710 4.302 4.262 4.329 . 0 0 "[ . 1 . 2]" 2 623 1 41 ASP H 1 42 GLN HB3 . . 5.280 5.072 4.876 5.163 . 0 0 "[ . 1 . 2]" 2 624 1 39 ALA MB 1 41 ASP H . . 3.200 2.733 2.447 2.802 . 0 0 "[ . 1 . 2]" 2 625 1 39 ALA MB 1 42 GLN H . . 4.940 3.659 3.525 3.792 . 0 0 "[ . 1 . 2]" 2 626 1 10 ILE MG 1 41 ASP H . . 4.530 3.888 3.602 4.095 . 0 0 "[ . 1 . 2]" 2 627 1 41 ASP H 1 43 LYS H . . 5.190 5.183 5.136 5.212 0.022 20 0 "[ . 1 . 2]" 2 628 1 43 LYS H 1 44 THR H . . 2.840 2.710 2.696 2.744 . 0 0 "[ . 1 . 2]" 2 629 1 43 LYS H 1 45 TYR H . . 4.110 4.063 4.019 4.085 . 0 0 "[ . 1 . 2]" 2 630 1 44 THR H 1 45 TYR QD . . 4.800 4.556 4.484 4.605 . 0 0 "[ . 1 . 2]" 2 631 1 43 LYS H 1 44 THR HA . . 5.460 5.335 5.324 5.360 . 0 0 "[ . 1 . 2]" 2 632 1 41 ASP HA 1 43 LYS H . . 3.590 3.190 3.155 3.208 . 0 0 "[ . 1 . 2]" 2 633 1 42 GLN HA 1 44 THR H . . 4.490 3.806 3.728 3.865 . 0 0 "[ . 1 . 2]" 2 634 1 41 ASP HA 1 44 THR H . . 4.760 4.054 4.002 4.142 . 0 0 "[ . 1 . 2]" 2 635 1 42 GLN HB2 1 44 THR H . . 5.500 5.299 5.205 5.427 . 0 0 "[ . 1 . 2]" 2 636 1 43 LYS QB 1 44 THR H . . 2.930 2.800 2.766 2.830 . 0 0 "[ . 1 . 2]" 2 637 1 43 LYS HD2 1 44 THR H . . 5.500 5.220 4.846 5.497 . 0 0 "[ . 1 . 2]" 2 638 1 43 LYS HD3 1 44 THR H . . 5.500 5.207 3.726 5.424 . 0 0 "[ . 1 . 2]" 2 639 1 43 LYS H 1 43 LYS HG3 . . 4.300 2.587 1.992 3.624 . 0 0 "[ . 1 . 2]" 2 640 1 43 LYS H 1 43 LYS HG2 . . 4.300 3.162 1.949 3.756 . 0 0 "[ . 1 . 2]" 2 641 1 44 THR H 1 44 THR MG . . 3.530 3.100 2.952 3.186 . 0 0 "[ . 1 . 2]" 2 642 1 44 THR H 1 69 VAL MG2 . . 5.180 4.932 4.709 5.138 . 0 0 "[ . 1 . 2]" 2 643 1 45 TYR H 1 46 SER H . . 4.640 4.534 4.514 4.562 . 0 0 "[ . 1 . 2]" 2 644 1 44 THR H 1 45 TYR H . . 3.140 2.063 2.005 2.115 . 0 0 "[ . 1 . 2]" 2 645 1 45 TYR H 1 45 TYR QD . . 3.530 3.170 3.137 3.191 . 0 0 "[ . 1 . 2]" 2 646 1 45 TYR H 1 45 TYR QE . . 4.640 4.480 4.438 4.513 . 0 0 "[ . 1 . 2]" 2 647 1 46 SER H 1 47 SER H . . 4.640 4.462 4.424 4.555 . 0 0 "[ . 1 . 2]" 2 648 1 45 TYR QD 1 46 SER H . . 4.370 4.203 4.180 4.220 . 0 0 "[ . 1 . 2]" 2 649 1 45 TYR HA 1 46 SER H . . 3.030 2.213 2.184 2.283 . 0 0 "[ . 1 . 2]" 2 650 1 42 GLN HA 1 45 TYR H . . 3.980 3.118 2.996 3.154 . 0 0 "[ . 1 . 2]" 2 651 1 46 SER H 1 68 ALA HA . . 4.120 3.400 3.310 3.542 . 0 0 "[ . 1 . 2]" 2 652 1 43 LYS HA 1 45 TYR H . . 5.020 4.959 4.890 5.011 . 0 0 "[ . 1 . 2]" 2 653 1 44 THR HB 1 45 TYR H . . 3.640 3.510 3.461 3.638 . 0 0 "[ . 1 . 2]" 2 654 1 46 SER H 1 67 CYS QB . . 4.500 4.330 4.245 4.406 . 0 0 "[ . 1 . 2]" 2 655 1 45 TYR HB3 1 46 SER H . . 4.090 3.017 2.798 3.121 . 0 0 "[ . 1 . 2]" 2 656 1 45 TYR HB2 1 46 SER H . . 3.930 3.828 3.650 3.912 . 0 0 "[ . 1 . 2]" 2 657 1 42 GLN HB2 1 45 TYR H . . 5.260 5.244 5.099 5.275 0.015 8 0 "[ . 1 . 2]" 2 658 1 43 LYS QB 1 45 TYR H . . 4.730 4.673 4.633 4.711 . 0 0 "[ . 1 . 2]" 2 659 1 39 ALA MB 1 45 TYR H . . 4.320 4.310 4.206 4.333 0.013 3 0 "[ . 1 . 2]" 2 660 1 46 SER H 1 68 ALA MB . . 4.960 4.857 4.802 4.962 0.002 9 0 "[ . 1 . 2]" 2 661 1 45 TYR H 1 68 ALA MB . . 5.370 5.075 4.902 5.198 . 0 0 "[ . 1 . 2]" 2 662 1 46 SER H 1 66 ILE MG . . 4.030 3.859 3.244 4.035 0.005 20 0 "[ . 1 . 2]" 2 663 1 46 SER H 1 69 VAL MG2 . . 3.600 3.082 2.733 3.487 . 0 0 "[ . 1 . 2]" 2 664 1 44 THR MG 1 45 TYR H . . 4.150 4.093 4.018 4.128 . 0 0 "[ . 1 . 2]" 2 665 1 46 SER HA 1 47 SER H . . 3.090 2.214 2.143 2.466 . 0 0 "[ . 1 . 2]" 2 666 1 46 SER QB 1 47 SER H . . 3.700 3.528 3.079 3.702 0.002 9 0 "[ . 1 . 2]" 2 667 1 56 MET H 1 57 GLU QG . . 4.460 4.159 4.044 4.338 . 0 0 "[ . 1 . 2]" 2 668 1 55 ALA MB 1 56 MET H . . 3.060 2.591 2.458 2.692 . 0 0 "[ . 1 . 2]" 2 669 1 54 SER HA 1 56 MET H . . 4.040 3.878 3.716 4.008 . 0 0 "[ . 1 . 2]" 2 670 1 48 GLY H 1 65 TYR QE . . 4.830 4.087 3.912 4.235 . 0 0 "[ . 1 . 2]" 2 671 1 55 ALA H 1 56 MET H . . 3.270 2.537 2.453 2.611 . 0 0 "[ . 1 . 2]" 2 672 1 48 GLY H 1 49 CYS H . . 4.670 4.301 4.285 4.311 . 0 0 "[ . 1 . 2]" 2 673 1 48 GLY H 1 65 TYR QD . . 4.530 3.961 3.850 4.054 . 0 0 "[ . 1 . 2]" 2 674 1 50 ALA H 1 65 TYR QD . . 4.330 3.039 2.940 3.137 . 0 0 "[ . 1 . 2]" 2 675 1 50 ALA H 1 65 TYR QE . . 4.540 2.111 1.949 2.375 . 0 0 "[ . 1 . 2]" 2 676 1 50 ALA H 1 63 GLU H . . 3.910 3.590 3.425 3.696 . 0 0 "[ . 1 . 2]" 2 677 1 49 CYS H 1 65 TYR QE . . 4.530 4.456 4.401 4.526 . 0 0 "[ . 1 . 2]" 2 678 1 49 CYS H 1 65 TYR QD . . 5.500 5.506 5.500 5.511 0.011 6 0 "[ . 1 . 2]" 2 679 1 48 GLY H 1 66 ILE HA . . 4.540 4.374 4.201 4.509 . 0 0 "[ . 1 . 2]" 2 680 1 48 GLY HA2 1 49 CYS H . . 3.360 2.320 2.318 2.322 . 0 0 "[ . 1 . 2]" 2 681 1 48 GLY HA3 1 49 CYS H . . 3.360 2.841 2.839 2.842 . 0 0 "[ . 1 . 2]" 2 682 1 33 ARG QG 1 49 CYS H . . 4.020 2.274 2.054 2.401 . 0 0 "[ . 1 . 2]" 2 683 1 48 GLY H 1 65 TYR HB2 . . 5.500 5.517 5.504 5.529 0.029 10 0 "[ . 1 . 2]" 2 684 1 33 ARG H 1 49 CYS H . . 5.500 5.543 5.531 5.562 0.062 10 0 "[ . 1 . 2]" 2 685 1 49 CYS HB3 1 50 ALA H . . 4.390 4.258 4.254 4.260 . 0 0 "[ . 1 . 2]" 2 686 1 52 THR H 1 63 GLU H . . 4.320 4.066 3.954 4.192 . 0 0 "[ . 1 . 2]" 2 687 1 52 THR H 1 53 TRP H . . 4.290 4.179 4.139 4.229 . 0 0 "[ . 1 . 2]" 2 688 1 51 GLN H 1 52 THR H . . 4.700 4.614 4.602 4.630 . 0 0 "[ . 1 . 2]" 2 689 1 52 THR H 1 60 PHE QE . . 5.500 5.438 5.260 5.491 . 0 0 "[ . 1 . 2]" 2 690 1 52 THR H 1 60 PHE QD . . 5.030 3.537 3.283 3.621 . 0 0 "[ . 1 . 2]" 2 691 1 50 ALA HA 1 51 GLN H . . 3.330 2.332 2.299 2.364 . 0 0 "[ . 1 . 2]" 2 692 1 51 GLN HA 1 52 THR H . . 3.440 2.210 2.191 2.245 . 0 0 "[ . 1 . 2]" 2 693 1 52 THR H 1 60 PHE HA . . 3.950 3.772 3.488 3.933 . 0 0 "[ . 1 . 2]" 2 694 1 52 THR H 1 54 SER QB . . 5.180 4.937 4.827 5.003 . 0 0 "[ . 1 . 2]" 2 695 1 52 THR H 1 60 PHE HB3 . . 4.580 4.230 3.911 4.372 . 0 0 "[ . 1 . 2]" 2 696 1 50 ALA MB 1 51 GLN H . . 3.280 2.548 2.454 2.628 . 0 0 "[ . 1 . 2]" 2 697 1 52 THR H 1 61 VAL MG1 . . 5.390 5.111 4.900 5.218 . 0 0 "[ . 1 . 2]" 2 698 1 52 THR H 1 61 VAL MG2 . . 4.820 3.405 3.294 3.547 . 0 0 "[ . 1 . 2]" 2 699 1 53 TRP H 1 54 SER H . . 4.630 4.416 4.408 4.514 . 0 0 "[ . 1 . 2]" 2 700 1 54 SER H 1 55 ALA H . . 4.610 4.343 4.236 4.414 . 0 0 "[ . 1 . 2]" 2 701 1 54 SER H 1 61 VAL H . . 4.480 3.890 3.684 4.212 . 0 0 "[ . 1 . 2]" 2 702 1 53 TRP H 1 60 PHE QD . . 4.320 3.169 2.889 3.378 . 0 0 "[ . 1 . 2]" 2 703 1 54 SER H 1 59 GLY H . . 4.340 3.437 3.314 3.519 . 0 0 "[ . 1 . 2]" 2 704 1 52 THR HA 1 53 TRP H . . 3.350 2.155 2.148 2.172 . 0 0 "[ . 1 . 2]" 2 705 1 53 TRP H 1 60 PHE HA . . 4.590 4.556 4.406 4.601 0.011 13 0 "[ . 1 . 2]" 2 706 1 54 SER HA 1 55 ALA H . . 2.990 2.141 2.138 2.154 . 0 0 "[ . 1 . 2]" 2 707 1 53 TRP HA 1 54 SER H . . 3.030 2.147 2.142 2.149 . 0 0 "[ . 1 . 2]" 2 708 1 53 TRP H 1 54 SER QB . . 5.500 5.475 5.400 5.507 0.007 13 0 "[ . 1 . 2]" 2 709 1 53 TRP HB3 1 54 SER H . . 4.540 4.412 4.295 4.424 . 0 0 "[ . 1 . 2]" 2 710 1 53 TRP HB2 1 54 SER H . . 4.360 4.333 4.232 4.349 . 0 0 "[ . 1 . 2]" 2 711 1 54 SER H 1 57 GLU HB2 . . 4.570 4.489 4.322 4.573 0.003 14 0 "[ . 1 . 2]" 2 712 1 52 THR MG 1 53 TRP H . . 4.060 3.924 3.872 3.977 . 0 0 "[ . 1 . 2]" 2 713 1 56 MET H 1 57 GLU H . . 3.150 2.730 2.657 2.860 . 0 0 "[ . 1 . 2]" 2 714 1 55 ALA H 1 57 GLU H . . 4.590 4.247 4.122 4.411 . 0 0 "[ . 1 . 2]" 2 715 1 57 GLU H 1 58 GLY H . . 3.090 2.511 2.456 2.540 . 0 0 "[ . 1 . 2]" 2 716 1 56 MET H 1 58 GLY H . . 4.510 3.852 3.799 3.915 . 0 0 "[ . 1 . 2]" 2 717 1 57 GLU H 1 59 GLY H . . 4.350 4.325 4.288 4.352 0.002 15 0 "[ . 1 . 2]" 2 718 1 54 SER HA 1 57 GLU H . . 4.650 4.426 4.334 4.563 . 0 0 "[ . 1 . 2]" 2 719 1 56 MET HA 1 58 GLY H . . 4.600 4.417 4.371 4.471 . 0 0 "[ . 1 . 2]" 2 720 1 54 SER QB 1 57 GLU H . . 3.480 3.135 2.793 3.357 . 0 0 "[ . 1 . 2]" 2 721 1 54 SER QB 1 56 MET H . . 4.530 4.304 4.052 4.468 . 0 0 "[ . 1 . 2]" 2 722 1 57 GLU HB3 1 58 GLY H . . 4.010 3.937 3.921 3.970 . 0 0 "[ . 1 . 2]" 2 723 1 57 GLU HB2 1 58 GLY H . . 3.500 2.802 2.799 2.804 . 0 0 "[ . 1 . 2]" 2 724 1 57 GLU QG 1 58 GLY H . . 4.380 3.902 3.838 3.930 . 0 0 "[ . 1 . 2]" 2 725 1 57 GLU H 1 57 GLU QG . . 3.270 2.014 1.962 2.192 . 0 0 "[ . 1 . 2]" 2 726 1 56 MET HB2 1 57 GLU H . . 3.060 2.514 2.432 2.577 . 0 0 "[ . 1 . 2]" 2 727 1 57 GLU H 1 61 VAL MG2 . . 4.740 4.690 4.564 4.742 0.002 16 0 "[ . 1 . 2]" 2 728 1 58 GLY H 1 61 VAL MG2 . . 5.290 5.104 5.028 5.244 . 0 0 "[ . 1 . 2]" 2 729 1 55 ALA H 1 56 MET HB2 . . 4.840 4.535 4.439 4.594 . 0 0 "[ . 1 . 2]" 2 730 1 58 GLY H 1 59 GLY H . . 3.110 2.504 2.464 2.536 . 0 0 "[ . 1 . 2]" 2 731 1 60 PHE H 1 60 PHE QD . . 3.300 2.876 2.635 3.077 . 0 0 "[ . 1 . 2]" 2 732 1 54 SER H 1 60 PHE H . . 4.710 4.687 4.609 4.718 0.008 19 0 "[ . 1 . 2]" 2 733 1 60 PHE QD 1 61 VAL H . . 4.140 3.626 3.492 3.786 . 0 0 "[ . 1 . 2]" 2 734 1 61 VAL H 1 62 ARG H . . 4.720 4.375 4.333 4.394 . 0 0 "[ . 1 . 2]" 2 735 1 60 PHE H 1 61 VAL H . . 4.610 4.493 4.489 4.508 . 0 0 "[ . 1 . 2]" 2 736 1 59 GLY H 1 60 PHE H . . 4.320 4.239 4.207 4.297 . 0 0 "[ . 1 . 2]" 2 737 1 53 TRP HE3 1 60 PHE H . . 4.860 4.527 4.120 4.858 . 0 0 "[ . 1 . 2]" 2 738 1 58 GLY HA2 1 59 GLY H . . 3.530 2.913 2.901 2.920 . 0 0 "[ . 1 . 2]" 2 739 1 59 GLY HA2 1 60 PHE H . . 3.240 2.229 2.207 2.296 . 0 0 "[ . 1 . 2]" 2 740 1 54 SER QB 1 61 VAL H . . 4.820 3.728 3.541 3.813 . 0 0 "[ . 1 . 2]" 2 741 1 53 TRP HA 1 60 PHE H . . 4.640 4.613 4.514 4.642 0.002 7 0 "[ . 1 . 2]" 2 742 1 59 GLY HA3 1 60 PHE H . . 3.240 2.978 2.869 3.016 . 0 0 "[ . 1 . 2]" 2 743 1 60 PHE HB3 1 61 VAL H . . 3.660 3.491 3.451 3.505 . 0 0 "[ . 1 . 2]" 2 744 1 57 GLU HB2 1 59 GLY H . . 3.690 2.806 2.751 2.838 . 0 0 "[ . 1 . 2]" 2 745 1 57 GLU HB3 1 59 GLY H . . 4.300 3.940 3.881 4.014 . 0 0 "[ . 1 . 2]" 2 746 1 62 ARG QB 1 63 GLU H . . 4.080 3.463 3.452 3.488 . 0 0 "[ . 1 . 2]" 2 747 1 62 ARG H 1 62 ARG HG3 . . 4.530 2.577 2.205 3.519 . 0 0 "[ . 1 . 2]" 2 748 1 62 ARG H 1 62 ARG HG2 . . 4.530 3.408 2.320 4.092 . 0 0 "[ . 1 . 2]" 2 749 1 59 GLY H 1 61 VAL MG2 . . 5.100 4.117 4.004 4.333 . 0 0 "[ . 1 . 2]" 2 750 1 60 PHE H 1 61 VAL MG2 . . 5.360 5.075 4.995 5.199 . 0 0 "[ . 1 . 2]" 2 751 1 61 VAL H 1 61 VAL MG1 . . 3.350 3.248 3.131 3.323 . 0 0 "[ . 1 . 2]" 2 752 1 52 THR MG 1 61 VAL H . . 5.230 5.173 5.053 5.233 0.003 11 0 "[ . 1 . 2]" 2 753 1 61 VAL MG2 1 63 GLU H . . 4.950 4.360 4.285 4.440 . 0 0 "[ . 1 . 2]" 2 754 1 61 VAL HA 1 62 ARG H . . 2.830 2.235 2.188 2.261 . 0 0 "[ . 1 . 2]" 2 755 1 51 GLN HA 1 62 ARG H . . 4.380 3.515 3.390 3.615 . 0 0 "[ . 1 . 2]" 2 756 1 60 PHE HA 1 61 VAL H . . 3.410 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 2 757 1 52 THR HA 1 61 VAL H . . 5.160 4.800 4.674 4.897 . 0 0 "[ . 1 . 2]" 2 758 1 61 VAL H 1 62 ARG HA . . 5.500 4.792 4.736 4.882 . 0 0 "[ . 1 . 2]" 2 759 1 51 GLN HA 1 63 GLU H . . 3.960 3.645 3.418 3.784 . 0 0 "[ . 1 . 2]" 2 760 1 29 SER HA 1 63 GLU H . . 5.020 4.845 4.744 4.945 . 0 0 "[ . 1 . 2]" 2 761 1 63 GLU HA 1 64 CYS H . . 3.170 2.179 2.167 2.188 . 0 0 "[ . 1 . 2]" 2 762 1 30 CYS H 1 64 CYS H . . 5.330 5.239 5.190 5.298 . 0 0 "[ . 1 . 2]" 2 763 1 6 LEU MD1 1 65 TYR H . . 4.870 4.114 3.983 4.269 . 0 0 "[ . 1 . 2]" 2 764 1 65 TYR H 1 66 ILE HG13 . . 5.080 3.911 3.721 4.122 . 0 0 "[ . 1 . 2]" 2 765 1 36 CYS HB3 1 65 TYR H . . 5.500 5.485 5.419 5.520 0.020 16 0 "[ . 1 . 2]" 2 766 1 64 CYS HB2 1 65 TYR H . . 4.460 4.200 4.075 4.338 . 0 0 "[ . 1 . 2]" 2 767 1 36 CYS HB2 1 65 TYR H . . 5.500 5.348 5.095 5.509 0.009 13 0 "[ . 1 . 2]" 2 768 1 49 CYS HA 1 65 TYR H . . 4.020 3.555 3.357 3.754 . 0 0 "[ . 1 . 2]" 2 769 1 48 GLY H 1 65 TYR H . . 3.600 2.885 2.755 3.038 . 0 0 "[ . 1 . 2]" 2 770 1 65 TYR H 1 65 TYR QD . . 3.480 3.172 3.033 3.338 . 0 0 "[ . 1 . 2]" 2 771 1 65 TYR H 1 65 TYR QE . . 4.620 4.316 4.188 4.470 . 0 0 "[ . 1 . 2]" 2 772 1 64 CYS H 1 65 TYR H . . 4.640 4.613 4.577 4.636 . 0 0 "[ . 1 . 2]" 2 773 1 7 GLY H 1 66 ILE H . . 4.800 3.680 3.587 3.828 . 0 0 "[ . 1 . 2]" 2 774 1 65 TYR QD 1 66 ILE H . . 3.890 3.813 3.697 3.893 0.003 7 0 "[ . 1 . 2]" 2 775 1 7 GLY HA3 1 66 ILE H . . 4.010 3.494 3.391 3.601 . 0 0 "[ . 1 . 2]" 2 776 1 65 TYR HB3 1 66 ILE H . . 4.200 3.914 3.868 3.944 . 0 0 "[ . 1 . 2]" 2 777 1 65 TYR HB2 1 66 ILE H . . 3.690 2.830 2.770 2.878 . 0 0 "[ . 1 . 2]" 2 778 1 6 LEU MD1 1 66 ILE H . . 3.970 3.489 3.380 3.594 . 0 0 "[ . 1 . 2]" 2 779 1 66 ILE H 1 66 ILE MD . . 4.270 4.066 3.985 4.157 . 0 0 "[ . 1 . 2]" 2 780 1 66 ILE H 1 67 CYS H . . 4.750 4.103 4.010 4.209 . 0 0 "[ . 1 . 2]" 2 781 1 46 SER H 1 67 CYS H . . 4.090 3.060 2.707 3.265 . 0 0 "[ . 1 . 2]" 2 782 1 68 ALA H 1 69 VAL H . . 4.650 4.599 4.568 4.622 . 0 0 "[ . 1 . 2]" 2 783 1 65 TYR QE 1 67 CYS H . . 5.300 5.142 4.773 5.301 0.001 10 0 "[ . 1 . 2]" 2 784 1 65 TYR QD 1 67 CYS H . . 3.930 3.756 3.457 3.934 0.004 19 0 "[ . 1 . 2]" 2 785 1 45 TYR QE 1 68 ALA H . . 5.200 5.099 4.938 5.207 0.007 19 0 "[ . 1 . 2]" 2 786 1 45 TYR QD 1 68 ALA H . . 4.340 3.948 3.782 4.065 . 0 0 "[ . 1 . 2]" 2 787 1 45 TYR HA 1 67 CYS H . . 4.810 4.447 4.302 4.552 . 0 0 "[ . 1 . 2]" 2 788 1 66 ILE HA 1 67 CYS H . . 3.470 2.144 2.138 2.154 . 0 0 "[ . 1 . 2]" 2 789 1 67 CYS HA 1 68 ALA H . . 3.100 2.386 2.298 2.481 . 0 0 "[ . 1 . 2]" 2 790 1 68 ALA H 1 71 SER HB2 . . 5.500 4.817 3.640 5.539 0.039 7 0 "[ . 1 . 2]" 2 791 1 68 ALA H 1 71 SER HB3 . . 5.500 4.444 3.731 5.491 . 0 0 "[ . 1 . 2]" 2 792 1 46 SER QB 1 67 CYS H . . 4.570 3.845 3.046 4.584 0.014 8 0 "[ . 1 . 2]" 2 793 1 67 CYS QB 1 68 ALA H . . 3.200 2.804 2.501 3.135 . 0 0 "[ . 1 . 2]" 2 794 1 45 TYR HB3 1 68 ALA H . . 4.980 4.635 4.512 4.819 . 0 0 "[ . 1 . 2]" 2 795 1 66 ILE MG 1 67 CYS H . . 3.540 2.861 2.615 3.061 . 0 0 "[ . 1 . 2]" 2 796 1 66 ILE HB 1 67 CYS H . . 4.630 4.325 4.235 4.392 . 0 0 "[ . 1 . 2]" 2 797 1 66 ILE HG12 1 67 CYS H . . 4.630 4.532 4.423 4.636 0.006 9 0 "[ . 1 . 2]" 2 798 1 67 CYS QB 1 69 VAL H . . 5.500 5.449 5.331 5.510 0.010 15 0 "[ . 1 . 2]" 2 799 1 68 ALA H 1 71 SER H . . 5.080 4.976 4.525 5.100 0.020 20 0 "[ . 1 . 2]" 2 800 1 46 SER H 1 69 VAL H . . 4.750 4.075 3.710 4.414 . 0 0 "[ . 1 . 2]" 2 801 1 69 VAL H 1 70 GLU H . . 3.880 2.552 2.479 2.692 . 0 0 "[ . 1 . 2]" 2 802 1 45 TYR QE 1 69 VAL H . . 5.390 5.326 5.133 5.395 0.005 4 0 "[ . 1 . 2]" 2 803 1 45 TYR QD 1 69 VAL H . . 4.050 3.656 3.556 3.801 . 0 0 "[ . 1 . 2]" 2 804 1 68 ALA HA 1 69 VAL H . . 3.350 2.241 2.184 2.348 . 0 0 "[ . 1 . 2]" 2 805 1 45 TYR HA 1 69 VAL H . . 3.420 3.095 2.857 3.391 . 0 0 "[ . 1 . 2]" 2 806 1 70 GLU H 1 70 GLU QG . . 3.500 1.944 1.922 2.111 . 0 0 "[ . 1 . 2]" 2 807 1 68 ALA MB 1 70 GLU H . . 3.870 3.185 2.896 3.358 . 0 0 "[ . 1 . 2]" 2 808 1 68 ALA MB 1 69 VAL H . . 3.420 2.855 2.657 3.022 . 0 0 "[ . 1 . 2]" 2 809 1 69 VAL H 1 69 VAL MG2 . . 2.750 2.217 2.114 2.256 . 0 0 "[ . 1 . 2]" 2 810 1 44 THR MG 1 69 VAL H . . 5.210 5.049 4.831 5.166 . 0 0 "[ . 1 . 2]" 2 811 1 44 THR MG 1 70 GLU H . . 5.350 5.022 4.687 5.354 0.004 18 0 "[ . 1 . 2]" 2 812 1 70 GLU H 1 71 SER H . . 3.060 2.430 2.231 2.512 . 0 0 "[ . 1 . 2]" 2 813 1 72 SER H 1 72 SER HB2 . . 3.510 2.506 2.189 3.497 . 0 0 "[ . 1 . 2]" 2 814 1 71 SER HA 1 72 SER H . . 2.770 2.250 2.140 2.491 . 0 0 "[ . 1 . 2]" 2 815 1 69 VAL HA 1 71 SER H . . 4.790 4.558 4.456 4.798 0.008 18 0 "[ . 1 . 2]" 2 816 1 70 GLU HB3 1 71 SER H . . 4.270 4.026 3.963 4.046 . 0 0 "[ . 1 . 2]" 2 817 1 70 GLU HB2 1 71 SER H . . 4.270 3.647 2.753 3.794 . 0 0 "[ . 1 . 2]" 2 818 1 70 GLU QG 1 71 SER H . . 4.310 2.265 1.947 3.748 . 0 0 "[ . 1 . 2]" 2 819 1 68 ALA MB 1 71 SER H . . 3.730 2.010 1.920 2.325 . 0 0 "[ . 1 . 2]" 2 820 1 69 VAL MG2 1 71 SER H . . 5.250 5.149 5.112 5.168 . 0 0 "[ . 1 . 2]" 2 821 1 72 SER H 1 73 MET H . . 3.430 2.472 2.207 2.719 . 0 0 "[ . 1 . 2]" 2 822 1 73 MET H 1 74 CYS H . . 3.390 2.987 2.636 3.388 . 0 0 "[ . 1 . 2]" 2 823 1 72 SER H 1 74 CYS H . . 4.680 4.412 3.913 4.682 0.002 5 0 "[ . 1 . 2]" 2 824 1 71 SER HB2 1 74 CYS H . . 5.500 4.785 3.251 5.485 . 0 0 "[ . 1 . 2]" 2 825 1 71 SER HB3 1 74 CYS H . . 5.500 3.615 3.060 4.309 . 0 0 "[ . 1 . 2]" 2 826 1 74 CYS H 1 74 CYS HB2 . . 3.800 3.325 2.483 3.656 . 0 0 "[ . 1 . 2]" 2 827 1 74 CYS H 1 74 CYS HB3 . . 3.800 2.633 2.318 3.933 0.133 15 0 "[ . 1 . 2]" 2 828 1 73 MET HB2 1 74 CYS H . . 4.590 3.715 2.770 4.404 . 0 0 "[ . 1 . 2]" 2 829 1 73 MET HB3 1 74 CYS H . . 4.590 4.031 3.492 4.411 . 0 0 "[ . 1 . 2]" 2 830 1 68 ALA MB 1 73 MET H . . 5.500 5.469 5.221 5.548 0.048 7 0 "[ . 1 . 2]" 2 831 1 19 ASN HB3 1 19 ASN HD22 . . 4.070 3.872 3.454 4.072 0.002 18 0 "[ . 1 . 2]" 2 832 1 19 ASN HB2 1 19 ASN HD22 . . 4.070 3.507 3.433 4.015 . 0 0 "[ . 1 . 2]" 2 833 1 17 LEU MD2 1 19 ASN HD21 . . 5.500 3.496 2.936 4.967 . 0 0 "[ . 1 . 2]" 2 834 1 17 LEU MD2 1 19 ASN HD22 . . 5.500 3.852 2.558 5.258 . 0 0 "[ . 1 . 2]" 2 835 1 56 MET H 1 56 MET HG3 . . 3.800 3.106 2.525 3.727 . 0 0 "[ . 1 . 2]" 2 836 1 24 LYS H 1 24 LYS HB3 . . 3.610 3.490 3.386 3.555 . 0 0 "[ . 1 . 2]" 2 837 1 49 CYS H 1 49 CYS HB2 . . 3.440 2.867 2.842 2.896 . 0 0 "[ . 1 . 2]" 2 838 1 56 MET H 1 56 MET HB3 . . 3.760 3.555 3.540 3.576 . 0 0 "[ . 1 . 2]" 2 839 1 56 MET HB3 1 57 GLU H . . 3.400 3.268 3.179 3.374 . 0 0 "[ . 1 . 2]" 2 840 1 2 ASN HB3 1 3 ARG H . . 3.980 2.661 2.230 3.508 . 0 0 "[ . 1 . 2]" 2 841 1 4 TRP H 1 4 TRP HB3 . . 3.650 3.582 3.579 3.586 . 0 0 "[ . 1 . 2]" 2 842 1 4 TRP H 1 4 TRP HD1 . . 3.680 3.212 3.068 3.441 . 0 0 "[ . 1 . 2]" 2 843 1 4 TRP H 1 4 TRP HE3 . . 4.270 4.105 3.836 4.257 . 0 0 "[ . 1 . 2]" 2 844 1 3 ARG H 1 4 TRP H . . 3.830 2.713 2.549 2.816 . 0 0 "[ . 1 . 2]" 2 845 1 4 TRP H 1 4 TRP HB2 . . 3.650 2.687 2.652 2.696 . 0 0 "[ . 1 . 2]" 2 846 1 5 ASN H 1 6 LEU H . . 3.480 2.700 2.678 2.724 . 0 0 "[ . 1 . 2]" 2 847 1 5 ASN H 1 5 ASN HD21 . . 4.750 4.366 3.433 4.666 . 0 0 "[ . 1 . 2]" 2 848 1 5 ASN H 1 5 ASN HB2 . . 3.770 2.500 2.345 2.599 . 0 0 "[ . 1 . 2]" 2 849 1 5 ASN H 1 5 ASN HB3 . . 3.770 3.587 3.566 3.590 . 0 0 "[ . 1 . 2]" 2 850 1 4 TRP HB3 1 5 ASN H . . 3.950 3.865 3.823 3.907 . 0 0 "[ . 1 . 2]" 2 851 1 4 TRP HB2 1 5 ASN H . . 3.950 2.710 2.660 2.750 . 0 0 "[ . 1 . 2]" 2 852 1 6 LEU H 1 7 GLY H . . 3.750 2.585 2.582 2.592 . 0 0 "[ . 1 . 2]" 2 853 1 5 ASN H 1 7 GLY H . . 5.110 4.003 3.988 4.046 . 0 0 "[ . 1 . 2]" 2 854 1 4 TRP HA 1 7 GLY H . . 4.730 3.500 3.479 3.534 . 0 0 "[ . 1 . 2]" 2 855 1 7 GLY H 1 10 ILE MD . . 4.690 4.479 4.216 4.683 . 0 0 "[ . 1 . 2]" 2 856 1 7 GLY H 1 10 ILE HG13 . . 5.360 5.176 4.921 5.306 . 0 0 "[ . 1 . 2]" 2 857 1 6 LEU HB3 1 7 GLY H . . 4.590 4.381 4.378 4.386 . 0 0 "[ . 1 . 2]" 2 858 1 8 TYR H 1 8 TYR QD . . 4.440 4.188 4.156 4.194 . 0 0 "[ . 1 . 2]" 2 859 1 8 TYR H 1 9 GLY H . . 4.050 2.737 2.686 2.800 . 0 0 "[ . 1 . 2]" 2 860 1 8 TYR H 1 12 HIS HE1 . . 4.990 4.478 4.412 4.570 . 0 0 "[ . 1 . 2]" 2 861 1 4 TRP HA 1 8 TYR H . . 3.860 3.415 3.329 3.488 . 0 0 "[ . 1 . 2]" 2 862 1 8 TYR H 1 8 TYR QB . . 3.890 2.241 2.231 2.251 . 0 0 "[ . 1 . 2]" 2 863 1 8 TYR H 1 26 PRO HB3 . . 5.060 4.782 4.488 5.000 . 0 0 "[ . 1 . 2]" 2 864 1 8 TYR H 1 10 ILE MD . . 5.380 5.090 4.729 5.287 . 0 0 "[ . 1 . 2]" 2 865 1 8 TYR H 1 10 ILE HG13 . . 5.350 4.949 4.721 5.024 . 0 0 "[ . 1 . 2]" 2 866 1 8 TYR H 1 26 PRO HB2 . . 4.040 3.994 3.810 4.048 0.008 13 0 "[ . 1 . 2]" 2 867 1 8 TYR H 1 66 ILE HB . . 4.670 4.683 4.674 4.701 0.031 8 0 "[ . 1 . 2]" 2 868 1 6 LEU HB3 1 8 TYR H . . 4.550 4.224 4.152 4.292 . 0 0 "[ . 1 . 2]" 2 869 1 8 TYR QD 1 9 GLY H . . 4.820 3.690 2.847 3.923 . 0 0 "[ . 1 . 2]" 2 870 1 4 TRP HE3 1 9 GLY H . . 4.020 3.065 2.652 3.307 . 0 0 "[ . 1 . 2]" 2 871 1 8 TYR QB 1 9 GLY H . . 4.610 2.500 2.383 2.600 . 0 0 "[ . 1 . 2]" 2 872 1 4 TRP HA 1 9 GLY H . . 4.820 3.389 3.224 3.537 . 0 0 "[ . 1 . 2]" 2 873 1 8 TYR HA 1 10 ILE H . . 4.530 4.290 4.084 4.390 . 0 0 "[ . 1 . 2]" 2 874 1 9 GLY H 1 10 ILE H . . 3.600 2.813 2.761 2.849 . 0 0 "[ . 1 . 2]" 2 875 1 10 ILE H 1 12 HIS HE1 . . 5.060 4.319 4.190 4.392 . 0 0 "[ . 1 . 2]" 2 876 1 10 ILE H 1 10 ILE MG . . 3.810 3.765 3.763 3.766 . 0 0 "[ . 1 . 2]" 2 877 1 10 ILE H 1 10 ILE HG13 . . 3.490 1.962 1.946 2.034 . 0 0 "[ . 1 . 2]" 2 878 1 10 ILE H 1 10 ILE HG12 . . 3.450 3.209 3.139 3.363 . 0 0 "[ . 1 . 2]" 2 879 1 10 ILE H 1 10 ILE HB . . 3.000 2.617 2.573 2.635 . 0 0 "[ . 1 . 2]" 2 880 1 10 ILE H 1 66 ILE HB . . 5.500 5.505 5.492 5.514 0.014 1 0 "[ . 1 . 2]" 2 881 1 11 PRO HB2 1 12 HIS H . . 4.170 3.701 3.656 3.771 . 0 0 "[ . 1 . 2]" 2 882 1 11 PRO HB3 1 12 HIS H . . 4.170 4.117 4.084 4.168 . 0 0 "[ . 1 . 2]" 2 883 1 12 HIS H 1 12 HIS HB2 . . 3.750 2.787 2.764 2.799 . 0 0 "[ . 1 . 2]" 2 884 1 11 PRO HA 1 12 HIS H . . 2.650 2.153 2.151 2.159 . 0 0 "[ . 1 . 2]" 2 885 1 12 HIS HD2 1 13 LYS H . . 4.950 4.738 4.721 4.750 . 0 0 "[ . 1 . 2]" 2 886 1 13 LYS H 1 39 ALA HA . . 4.300 3.916 3.786 4.073 . 0 0 "[ . 1 . 2]" 2 887 1 12 HIS HA 1 13 LYS H . . 3.380 2.377 2.375 2.379 . 0 0 "[ . 1 . 2]" 2 888 1 12 HIS HB2 1 13 LYS H . . 3.460 3.435 3.429 3.444 . 0 0 "[ . 1 . 2]" 2 889 1 15 VAL HB 1 16 LYS H . . 2.870 2.600 2.221 2.874 0.004 2 0 "[ . 1 . 2]" 2 890 1 14 GLN H 1 14 GLN HB2 . . 3.290 2.413 2.081 2.720 . 0 0 "[ . 1 . 2]" 2 891 1 14 GLN H 1 14 GLN HB3 . . 3.290 2.694 2.366 3.201 . 0 0 "[ . 1 . 2]" 2 892 1 13 LYS QB 1 14 GLN H . . 3.870 3.746 3.269 3.884 0.014 6 0 "[ . 1 . 2]" 2 893 1 14 GLN H 1 15 VAL MG1 . . 4.410 4.338 4.226 4.416 0.006 18 0 "[ . 1 . 2]" 2 894 1 13 LYS HA 1 14 GLN H . . 2.560 2.147 2.141 2.150 . 0 0 "[ . 1 . 2]" 2 895 1 14 GLN H 1 15 VAL H . . 4.820 4.601 4.547 4.622 . 0 0 "[ . 1 . 2]" 2 896 1 13 LYS H 1 14 GLN H . . 4.500 4.245 4.198 4.335 . 0 0 "[ . 1 . 2]" 2 897 1 15 VAL H 1 15 VAL MG2 . . 2.920 2.325 2.216 2.431 . 0 0 "[ . 1 . 2]" 2 898 1 14 GLN HB3 1 15 VAL H . . 4.620 3.854 3.353 4.186 . 0 0 "[ . 1 . 2]" 2 899 1 15 VAL H 1 23 CYS HB2 . . 4.700 3.672 3.357 3.950 . 0 0 "[ . 1 . 2]" 2 900 1 15 VAL H 1 23 CYS H . . 3.920 3.912 3.803 3.942 0.022 18 0 "[ . 1 . 2]" 2 901 1 16 LYS HA 1 17 LEU H . . 2.980 2.178 2.147 2.208 . 0 0 "[ . 1 . 2]" 2 902 1 17 LEU H 1 17 LEU HB2 . . 3.340 2.343 2.294 2.376 . 0 0 "[ . 1 . 2]" 2 903 1 17 LEU H 1 17 LEU HG . . 2.960 2.913 2.806 2.968 0.008 10 0 "[ . 1 . 2]" 2 904 1 17 LEU H 1 17 LEU MD1 . . 3.400 3.311 3.232 3.404 0.004 12 0 "[ . 1 . 2]" 2 905 1 2 ASN HB2 1 3 ARG H . . 3.980 3.646 2.087 3.944 . 0 0 "[ . 1 . 2]" 2 906 1 4 TRP H 1 5 ASN H . . 3.790 2.769 2.640 2.801 . 0 0 "[ . 1 . 2]" 2 907 1 3 ARG H 1 3 ARG HB2 . . 3.730 2.744 2.080 3.590 . 0 0 "[ . 1 . 2]" 2 908 1 12 HIS H 1 12 HIS HB3 . . 4.160 3.789 3.762 3.805 . 0 0 "[ . 1 . 2]" 2 909 1 12 HIS HB3 1 13 LYS H . . 3.260 2.583 2.578 2.587 . 0 0 "[ . 1 . 2]" 2 910 1 14 GLN HE22 1 22 LEU MD1 . . 4.350 2.939 2.014 3.948 . 0 0 "[ . 1 . 2]" 2 911 1 14 GLN HE22 1 22 LEU HB2 . . 4.690 4.115 3.674 4.688 . 0 0 "[ . 1 . 2]" 2 912 1 14 GLN HE22 1 22 LEU HG . . 5.500 5.081 4.184 5.503 0.003 8 0 "[ . 1 . 2]" 2 913 1 14 GLN HE22 1 14 GLN HG2 . . 3.990 3.644 3.443 4.023 0.033 6 0 "[ . 1 . 2]" 2 914 1 14 GLN HE22 1 14 GLN HG3 . . 3.990 3.629 3.442 3.988 . 0 0 "[ . 1 . 2]" 2 915 1 14 GLN HE21 1 22 LEU HB2 . . 4.690 3.917 3.524 4.690 . 0 0 "[ . 1 . 2]" 2 916 1 14 GLN HE21 1 22 LEU HG . . 5.500 4.758 4.408 5.492 . 0 0 "[ . 1 . 2]" 2 917 1 14 GLN HA 1 15 VAL H . . 2.560 2.206 2.159 2.231 . 0 0 "[ . 1 . 2]" 2 918 1 17 LEU H 1 17 LEU HB3 . . 3.590 3.594 3.561 3.614 0.024 5 0 "[ . 1 . 2]" 2 919 1 16 LYS H 1 22 LEU MD2 . . 3.970 3.977 3.865 3.990 0.020 5 0 "[ . 1 . 2]" 2 920 1 15 VAL H 1 15 VAL MG1 . . 3.480 3.289 3.210 3.369 . 0 0 "[ . 1 . 2]" 2 921 1 27 GLY H 1 64 CYS H . . 3.960 2.743 2.605 2.924 . 0 0 "[ . 1 . 2]" 2 922 1 49 CYS HA 1 64 CYS H . . 4.510 4.263 4.170 4.397 . 0 0 "[ . 1 . 2]" 2 923 1 2 ASN HB3 1 2 ASN HD22 . . 3.840 3.646 3.457 3.829 . 0 0 "[ . 1 . 2]" 2 924 1 2 ASN HB2 1 2 ASN HD22 . . 3.840 3.592 3.455 3.827 . 0 0 "[ . 1 . 2]" 2 925 1 3 ARG HB3 1 4 TRP H . . 4.340 3.591 2.671 4.013 . 0 0 "[ . 1 . 2]" 2 926 1 3 ARG HB2 1 4 TRP H . . 4.340 3.147 2.647 3.879 . 0 0 "[ . 1 . 2]" 2 927 1 5 ASN H 1 5 ASN HD22 . . 4.750 4.453 3.790 4.661 . 0 0 "[ . 1 . 2]" 2 928 1 5 ASN HA 1 5 ASN HD22 . . 4.980 4.147 3.408 4.652 . 0 0 "[ . 1 . 2]" 2 929 1 17 LEU H 1 20 GLY H . . 4.670 4.240 4.182 4.315 . 0 0 "[ . 1 . 2]" 2 930 1 15 VAL MG1 1 16 LYS H . . 3.620 3.563 3.431 3.629 0.009 18 0 "[ . 1 . 2]" 2 931 1 13 LYS H 1 13 LYS QB . . 2.880 2.473 2.317 2.908 0.028 14 0 "[ . 1 . 2]" 2 932 1 16 LYS H 1 16 LYS QB . . 3.070 2.482 2.285 2.610 . 0 0 "[ . 1 . 2]" 2 933 1 16 LYS QB 1 17 LEU H . . 3.390 3.044 2.925 3.212 . 0 0 "[ . 1 . 2]" 2 934 1 24 LYS HB3 1 25 GLU H . . 3.300 2.821 2.619 2.952 . 0 0 "[ . 1 . 2]" 2 935 1 32 LYS HB3 1 34 ASP H . . 3.450 2.496 2.415 2.619 . 0 0 "[ . 1 . 2]" 2 936 1 32 LYS HB3 1 33 ARG H . . 4.020 2.737 2.684 2.778 . 0 0 "[ . 1 . 2]" 2 937 1 34 ASP H 1 34 ASP HB2 . . 3.720 2.508 2.225 3.591 . 0 0 "[ . 1 . 2]" 2 938 1 38 LYS H 1 38 LYS HG3 . . 3.540 2.745 2.336 3.546 0.006 6 0 "[ . 1 . 2]" 2 939 1 40 ASP H 1 40 ASP HB3 . . 3.570 3.566 3.559 3.576 0.006 13 0 "[ . 1 . 2]" 2 940 1 47 SER QB 1 48 GLY H . . 3.400 2.867 2.672 3.015 . 0 0 "[ . 1 . 2]" 2 941 1 49 CYS H 1 50 ALA H . . 5.140 4.089 4.068 4.111 . 0 0 "[ . 1 . 2]" 2 942 1 60 PHE H 1 60 PHE HB2 . . 3.020 2.312 2.296 2.338 . 0 0 "[ . 1 . 2]" 2 943 1 61 VAL H 1 61 VAL MG2 . . 3.560 2.216 2.096 2.285 . 0 0 "[ . 1 . 2]" 2 944 1 61 VAL MG1 1 62 ARG H . . 3.840 3.680 3.620 3.786 . 0 0 "[ . 1 . 2]" 2 945 1 64 CYS H 1 64 CYS HB3 . . 3.740 3.153 2.543 3.488 . 0 0 "[ . 1 . 2]" 2 946 1 64 CYS HA 1 65 TYR H . . 3.040 2.225 2.166 2.302 . 0 0 "[ . 1 . 2]" 2 947 1 66 ILE H 1 66 ILE HG13 . . 4.090 3.082 3.047 3.114 . 0 0 "[ . 1 . 2]" 2 948 1 66 ILE H 1 66 ILE HG12 . . 4.410 4.269 4.182 4.342 . 0 0 "[ . 1 . 2]" 2 949 1 66 ILE H 1 66 ILE MG . . 4.080 3.885 3.876 3.896 . 0 0 "[ . 1 . 2]" 2 950 1 53 TRP HE1 1 55 ALA MB . . 3.450 3.190 2.994 3.352 . 0 0 "[ . 1 . 2]" 2 951 1 2 ASN QB 1 2 ASN QD . . 2.870 2.173 2.097 2.220 . 0 0 "[ . 1 . 2]" 2 952 1 2 ASN QB 1 3 ARG H . . 3.320 2.538 2.072 3.071 . 0 0 "[ . 1 . 2]" 2 953 1 2 ASN QB 1 3 ARG HA . . 4.850 4.500 4.396 4.750 . 0 0 "[ . 1 . 2]" 2 954 1 2 ASN QB 1 4 TRP H . . 4.190 2.686 2.523 2.833 . 0 0 "[ . 1 . 2]" 2 955 1 3 ARG H 1 3 ARG QB . . 3.160 2.388 2.052 2.623 . 0 0 "[ . 1 . 2]" 2 956 1 3 ARG QB 1 4 TRP H . . 3.810 2.873 2.604 3.428 . 0 0 "[ . 1 . 2]" 2 957 1 4 TRP QB 1 4 TRP HE1 . . 4.480 4.383 4.372 4.390 . 0 0 "[ . 1 . 2]" 2 958 1 5 ASN H 1 5 ASN QB . . 3.120 2.454 2.315 2.541 . 0 0 "[ . 1 . 2]" 2 959 1 5 ASN HA 1 5 ASN QD . . 4.290 3.256 2.016 4.027 . 0 0 "[ . 1 . 2]" 2 960 1 6 LEU HG 1 63 GLU QG . . 4.400 4.106 3.813 4.357 . 0 0 "[ . 1 . 2]" 2 961 1 6 LEU MD1 1 63 GLU QG . . 4.820 2.748 2.293 3.067 . 0 0 "[ . 1 . 2]" 2 962 1 10 ILE HA 1 11 PRO QD . . 3.220 1.938 1.937 1.939 . 0 0 "[ . 1 . 2]" 2 963 1 10 ILE MG 1 11 PRO QB . . 4.360 4.051 4.049 4.054 . 0 0 "[ . 1 . 2]" 2 964 1 10 ILE MG 1 11 PRO QD . . 3.510 1.889 1.887 1.891 . 0 0 "[ . 1 . 2]" 2 965 1 11 PRO QB 1 12 HIS H . . 3.530 3.448 3.411 3.506 . 0 0 "[ . 1 . 2]" 2 966 1 13 LYS HA 1 14 GLN QB . . 4.400 4.074 4.028 4.097 . 0 0 "[ . 1 . 2]" 2 967 1 14 GLN H 1 14 GLN QB . . 2.840 2.205 2.056 2.268 . 0 0 "[ . 1 . 2]" 2 968 1 14 GLN QB 1 15 VAL H . . 3.890 3.540 3.243 3.666 . 0 0 "[ . 1 . 2]" 2 969 1 14 GLN QB 1 22 LEU MD1 . . 4.870 4.858 4.606 4.881 0.011 14 0 "[ . 1 . 2]" 2 970 1 14 GLN QE 1 14 GLN QG . . 3.040 2.164 2.073 2.225 . 0 0 "[ . 1 . 2]" 2 971 1 14 GLN QG 1 22 LEU MD1 . . 4.520 3.543 3.190 4.197 . 0 0 "[ . 1 . 2]" 2 972 1 14 GLN QG 1 22 LEU MD2 . . 4.280 3.369 2.852 4.288 0.008 6 0 "[ . 1 . 2]" 2 973 1 14 GLN QE 1 22 LEU HA . . 5.060 3.881 2.817 4.635 . 0 0 "[ . 1 . 2]" 2 974 1 14 GLN QE 1 22 LEU HB2 . . 4.080 3.524 3.253 3.973 . 0 0 "[ . 1 . 2]" 2 975 1 14 GLN QE 1 22 LEU HG . . 4.690 4.278 3.937 4.682 . 0 0 "[ . 1 . 2]" 2 976 1 14 GLN QE 1 22 LEU MD2 . . 4.460 2.559 1.813 3.411 . 0 0 "[ . 1 . 2]" 2 977 1 15 VAL H 1 16 LYS QG . . 5.340 5.201 5.037 5.338 . 0 0 "[ . 1 . 2]" 2 978 1 16 LYS H 1 16 LYS QG . . 3.370 2.404 2.093 2.837 . 0 0 "[ . 1 . 2]" 2 979 1 16 LYS HA 1 16 LYS QG . . 3.470 2.470 2.352 2.613 . 0 0 "[ . 1 . 2]" 2 980 1 16 LYS HA 1 16 LYS QD . . 4.430 3.783 2.725 4.278 . 0 0 "[ . 1 . 2]" 2 981 1 16 LYS QE 1 16 LYS QG . . 3.470 2.218 2.080 2.724 . 0 0 "[ . 1 . 2]" 2 982 1 17 LEU MD1 1 19 ASN QB . . 3.920 3.654 3.505 3.968 0.048 12 0 "[ . 1 . 2]" 2 983 1 17 LEU MD1 1 19 ASN QD . . 4.350 3.179 1.913 4.188 . 0 0 "[ . 1 . 2]" 2 984 1 17 LEU MD1 1 21 GLN QB . . 4.120 3.426 3.383 3.487 . 0 0 "[ . 1 . 2]" 2 985 1 17 LEU MD1 1 35 GLU QG . . 4.650 4.327 3.649 4.648 . 0 0 "[ . 1 . 2]" 2 986 1 17 LEU MD2 1 19 ASN QD . . 4.730 3.197 2.445 4.542 . 0 0 "[ . 1 . 2]" 2 987 1 19 ASN H 1 19 ASN QB . . 3.280 2.403 2.188 2.687 . 0 0 "[ . 1 . 2]" 2 988 1 19 ASN HA 1 20 GLY QA . . 4.520 4.195 4.190 4.197 . 0 0 "[ . 1 . 2]" 2 989 1 19 ASN QB 1 21 GLN H . . 4.220 2.760 2.557 3.702 . 0 0 "[ . 1 . 2]" 2 990 1 21 GLN H 1 21 GLN QB . . 3.190 2.549 2.494 2.605 . 0 0 "[ . 1 . 2]" 2 991 1 24 LYS H 1 24 LYS QG . . 3.530 3.232 2.999 3.509 . 0 0 "[ . 1 . 2]" 2 992 1 24 LYS QE 1 24 LYS QG . . 3.470 2.176 2.016 2.383 . 0 0 "[ . 1 . 2]" 2 993 1 24 LYS QG 1 35 GLU QG . . 4.560 3.650 3.279 4.095 . 0 0 "[ . 1 . 2]" 2 994 1 24 LYS HD3 1 28 ASP QB . . 4.070 3.619 3.176 3.880 . 0 0 "[ . 1 . 2]" 2 995 1 25 GLU H 1 25 GLU QB . . 3.370 2.583 2.513 2.628 . 0 0 "[ . 1 . 2]" 2 996 1 25 GLU H 1 28 ASP QB . . 4.030 3.211 3.051 3.391 . 0 0 "[ . 1 . 2]" 2 997 1 25 GLU QB 1 28 ASP QB . . 4.710 2.479 2.177 2.696 . 0 0 "[ . 1 . 2]" 2 998 1 26 PRO HA 1 64 CYS QB . . 3.650 1.969 1.916 1.988 . 0 0 "[ . 1 . 2]" 2 999 1 27 GLY H 1 63 GLU QG . . 4.390 4.133 3.729 4.386 . 0 0 "[ . 1 . 2]" 2 1000 1 27 GLY H 1 64 CYS QB . . 3.620 2.750 2.489 3.001 . 0 0 "[ . 1 . 2]" 2 1001 1 28 ASP H 1 28 ASP QB . . 3.100 2.210 2.120 2.251 . 0 0 "[ . 1 . 2]" 2 1002 1 28 ASP H 1 64 CYS QB . . 4.220 3.986 3.709 4.234 0.014 20 0 "[ . 1 . 2]" 2 1003 1 28 ASP QB 1 29 SER H . . 3.350 2.797 2.492 3.194 . 0 0 "[ . 1 . 2]" 2 1004 1 31 SER QB 1 32 LYS H . . 3.190 2.823 2.733 2.887 . 0 0 "[ . 1 . 2]" 2 1005 1 31 SER QB 1 32 LYS QG . . 3.960 2.927 2.557 3.075 . 0 0 "[ . 1 . 2]" 2 1006 1 32 LYS H 1 35 GLU QG . . 4.030 1.947 1.880 2.037 . 0 0 "[ . 1 . 2]" 2 1007 1 33 ARG HA 1 36 CYS QB . . 4.310 3.353 3.238 3.540 . 0 0 "[ . 1 . 2]" 2 1008 1 33 ARG QB 1 33 ARG HE . . 4.790 3.386 1.999 4.206 . 0 0 "[ . 1 . 2]" 2 1009 1 33 ARG QB 1 34 ASP H . . 3.670 2.758 2.731 2.814 . 0 0 "[ . 1 . 2]" 2 1010 1 33 ARG QG 1 48 GLY QA . . 3.660 2.985 2.870 3.061 . 0 0 "[ . 1 . 2]" 2 1011 1 34 ASP H 1 34 ASP QB . . 3.050 2.320 2.158 2.652 . 0 0 "[ . 1 . 2]" 2 1012 1 34 ASP QB 1 35 GLU H . . 4.140 3.013 2.908 3.628 . 0 0 "[ . 1 . 2]" 2 1013 1 35 GLU H 1 35 GLU QG . . 2.960 2.180 2.076 2.361 . 0 0 "[ . 1 . 2]" 2 1014 1 35 GLU H 1 36 CYS QB . . 4.840 4.325 4.302 4.394 . 0 0 "[ . 1 . 2]" 2 1015 1 35 GLU HA 1 35 GLU QG . . 3.530 2.841 2.327 3.092 . 0 0 "[ . 1 . 2]" 2 1016 1 36 CYS H 1 36 CYS QB . . 3.080 2.159 2.124 2.259 . 0 0 "[ . 1 . 2]" 2 1017 1 36 CYS QB 1 37 CYS H . . 4.040 3.725 3.603 3.853 . 0 0 "[ . 1 . 2]" 2 1018 1 36 CYS QB 1 64 CYS HA . . 4.510 4.040 3.558 4.202 . 0 0 "[ . 1 . 2]" 2 1019 1 38 LYS HA 1 38 LYS QG . . 3.280 2.546 2.450 2.704 . 0 0 "[ . 1 . 2]" 2 1020 1 41 ASP H 1 41 ASP QB . . 2.750 2.427 2.345 2.488 . 0 0 "[ . 1 . 2]" 2 1021 1 41 ASP QB 1 42 GLN H . . 4.010 3.953 3.915 3.977 . 0 0 "[ . 1 . 2]" 2 1022 1 41 ASP QB 1 43 LYS H . . 4.670 4.398 4.368 4.432 . 0 0 "[ . 1 . 2]" 2 1023 1 41 ASP QB 1 44 THR H . . 4.340 3.468 3.397 3.543 . 0 0 "[ . 1 . 2]" 2 1024 1 41 ASP QB 1 45 TYR QD . . 3.910 2.815 2.676 2.968 . 0 0 "[ . 1 . 2]" 2 1025 1 41 ASP QB 1 45 TYR QE . . 4.560 2.559 2.481 2.698 . 0 0 "[ . 1 . 2]" 2 1026 1 42 GLN H 1 42 GLN QG . . 3.080 2.221 2.009 2.439 . 0 0 "[ . 1 . 2]" 2 1027 1 42 GLN QG 1 43 LYS H . . 4.160 2.233 2.023 2.412 . 0 0 "[ . 1 . 2]" 2 1028 1 42 GLN QG 1 43 LYS HA . . 4.590 3.342 3.035 3.621 . 0 0 "[ . 1 . 2]" 2 1029 1 43 LYS H 1 43 LYS QG . . 3.520 2.126 1.939 2.337 . 0 0 "[ . 1 . 2]" 2 1030 1 43 LYS H 1 43 LYS QD . . 4.290 3.166 2.146 3.476 . 0 0 "[ . 1 . 2]" 2 1031 1 43 LYS HA 1 43 LYS QG . . 3.260 2.628 2.413 3.011 . 0 0 "[ . 1 . 2]" 2 1032 1 43 LYS HA 1 43 LYS QD . . 4.640 3.510 2.157 4.126 . 0 0 "[ . 1 . 2]" 2 1033 1 43 LYS QG 1 44 THR H . . 4.320 4.167 4.011 4.297 . 0 0 "[ . 1 . 2]" 2 1034 1 48 GLY QA 1 49 CYS H . . 2.920 2.222 2.221 2.223 . 0 0 "[ . 1 . 2]" 2 1035 1 48 GLY QA 1 65 TYR H . . 4.700 4.254 4.114 4.392 . 0 0 "[ . 1 . 2]" 2 1036 1 50 ALA MB 1 51 GLN QG . . 4.180 3.799 3.158 4.091 . 0 0 "[ . 1 . 2]" 2 1037 1 51 GLN H 1 51 GLN QB . . 3.020 2.545 2.383 2.600 . 0 0 "[ . 1 . 2]" 2 1038 1 51 GLN H 1 51 GLN QG . . 4.000 1.979 1.928 2.305 . 0 0 "[ . 1 . 2]" 2 1039 1 51 GLN H 1 62 ARG QG . . 5.090 2.632 2.172 3.604 . 0 0 "[ . 1 . 2]" 2 1040 1 51 GLN H 1 62 ARG QD . . 4.880 3.674 2.075 4.525 . 0 0 "[ . 1 . 2]" 2 1041 1 51 GLN QB 1 52 THR H . . 3.700 2.902 2.787 2.964 . 0 0 "[ . 1 . 2]" 2 1042 1 51 GLN QB 1 60 PHE HB2 . . 4.480 4.221 3.799 4.480 . 0 0 "[ . 1 . 2]" 2 1043 1 51 GLN QB 1 60 PHE HB3 . . 4.230 2.585 2.147 2.847 . 0 0 "[ . 1 . 2]" 2 1044 1 51 GLN QB 1 60 PHE QD . . 5.070 3.154 2.967 3.347 . 0 0 "[ . 1 . 2]" 2 1045 1 51 GLN QB 1 61 VAL H . . 4.120 3.779 3.632 4.040 . 0 0 "[ . 1 . 2]" 2 1046 1 51 GLN QG 1 60 PHE HB3 . . 4.210 4.001 3.646 4.215 0.005 1 0 "[ . 1 . 2]" 2 1047 1 51 GLN QG 1 62 ARG QG . . 4.390 2.394 1.731 4.205 . 0 0 "[ . 1 . 2]" 2 1048 1 51 GLN QG 1 62 ARG QD . . 4.100 3.199 2.006 4.102 0.002 4 0 "[ . 1 . 2]" 2 1049 1 52 THR H 1 62 ARG QG . . 4.880 4.447 4.134 4.872 . 0 0 "[ . 1 . 2]" 2 1050 1 52 THR HB 1 63 GLU QG . . 5.150 3.912 3.577 4.133 . 0 0 "[ . 1 . 2]" 2 1051 1 52 THR MG 1 63 GLU QG . . 3.610 2.621 2.034 2.941 . 0 0 "[ . 1 . 2]" 2 1052 1 55 ALA MB 1 56 MET QG . . 4.430 3.401 3.216 3.557 . 0 0 "[ . 1 . 2]" 2 1053 1 56 MET H 1 56 MET QG . . 3.310 2.557 2.433 2.659 . 0 0 "[ . 1 . 2]" 2 1054 1 56 MET HA 1 56 MET QG . . 3.220 2.413 2.219 2.697 . 0 0 "[ . 1 . 2]" 2 1055 1 56 MET QG 1 57 GLU H . . 4.560 4.146 4.050 4.202 . 0 0 "[ . 1 . 2]" 2 1056 1 58 GLY H 1 59 GLY QA . . 5.120 4.515 4.488 4.534 . 0 0 "[ . 1 . 2]" 2 1057 1 59 GLY QA 1 60 PHE H . . 2.710 2.169 2.156 2.209 . 0 0 "[ . 1 . 2]" 2 1058 1 62 ARG H 1 62 ARG QG . . 3.710 2.402 2.187 3.303 . 0 0 "[ . 1 . 2]" 2 1059 1 62 ARG H 1 62 ARG QD . . 4.440 3.574 1.960 4.295 . 0 0 "[ . 1 . 2]" 2 1060 1 63 GLU H 1 63 GLU QG . . 4.310 2.131 1.984 2.299 . 0 0 "[ . 1 . 2]" 2 1061 1 64 CYS H 1 64 CYS QB . . 3.250 2.172 2.107 2.255 . 0 0 "[ . 1 . 2]" 2 1062 1 64 CYS QB 1 65 TYR H . . 3.900 3.202 2.746 3.675 . 0 0 "[ . 1 . 2]" 2 1063 1 68 ALA MB 1 71 SER QB . . 3.460 1.887 1.783 1.975 . 0 0 "[ . 1 . 2]" 2 1064 1 70 GLU H 1 70 GLU QB . . 3.420 2.670 2.628 2.763 . 0 0 "[ . 1 . 2]" 2 1065 1 70 GLU QB 1 71 SER H . . 3.520 3.374 2.704 3.463 . 0 0 "[ . 1 . 2]" 2 1066 1 70 GLU QB 1 71 SER HA . . 4.550 4.288 3.952 4.384 . 0 0 "[ . 1 . 2]" 2 1067 1 71 SER H 1 71 SER QB . . 2.950 2.325 2.208 2.813 . 0 0 "[ . 1 . 2]" 2 1068 1 71 SER QB 1 72 SER H . . 4.270 3.699 3.154 4.055 . 0 0 "[ . 1 . 2]" 2 1069 1 71 SER QB 1 74 CYS H . . 4.810 3.481 2.995 4.109 . 0 0 "[ . 1 . 2]" 2 1070 1 72 SER H 1 72 SER QB . . 2.830 2.268 2.168 2.813 . 0 0 "[ . 1 . 2]" 2 1071 1 72 SER HA 1 72 SER QB . . 2.530 2.409 2.168 2.501 . 0 0 "[ . 1 . 2]" 2 1072 1 72 SER QB 1 73 MET H . . 3.300 2.799 2.669 3.293 . 0 0 "[ . 1 . 2]" 2 1073 1 73 MET H 1 73 MET QG . . 3.700 2.605 1.951 3.343 . 0 0 "[ . 1 . 2]" 2 1074 1 73 MET QB 1 74 CYS H . . 3.930 3.400 2.699 3.900 . 0 0 "[ . 1 . 2]" 2 1075 1 73 MET QG 1 74 CYS H . . 4.730 4.017 2.187 4.714 . 0 0 "[ . 1 . 2]" 2 1076 1 74 CYS H 1 74 CYS QB . . 3.330 2.447 2.251 3.365 0.035 15 0 "[ . 1 . 2]" 2 stop_ save_
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