NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
542541 | 2ldm | 17673 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ldm 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 66 _Distance_constraint_stats_list.Viol_count 10 _Distance_constraint_stats_list.Viol_total 1.087 _Distance_constraint_stats_list.Viol_max 0.012 _Distance_constraint_stats_list.Viol_rms 0.0006 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0054 _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 6 GLU 0.011 0.011 12 0 "[ . 1 . 2]" 1 8 GLN 0.011 0.011 12 0 "[ . 1 . 2]" 1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.039 0.012 17 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LYS 0.004 0.002 18 0 "[ . 1 . 2]" 1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 LYS 0.004 0.002 18 0 "[ . 1 . 2]" 1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 LYS 0.039 0.012 17 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 10 ASN H 1 27 VAL O 2.200 . 2.700 1.951 1.860 2.048 . 0 0 "[ . 1 . 2]" 1 2 1 10 ASN N 1 27 VAL O 3.200 . 3.700 2.919 2.846 3.029 . 0 0 "[ . 1 . 2]" 1 3 1 8 GLN O 1 11 GLU H 2.200 . 2.700 2.206 2.091 2.226 . 0 0 "[ . 1 . 2]" 1 4 1 8 GLN O 1 11 GLU N 3.200 . 3.700 3.020 2.947 3.048 . 0 0 "[ . 1 . 2]" 1 5 1 13 VAL H 1 25 ALA O 2.200 . 2.700 1.897 1.830 1.952 . 0 0 "[ . 1 . 2]" 1 6 1 13 VAL N 1 25 ALA O 3.200 . 3.700 2.831 2.773 2.863 . 0 0 "[ . 1 . 2]" 1 7 1 14 LEU H 1 54 LYS O 2.200 . 2.700 1.830 1.788 1.919 0.012 17 0 "[ . 1 . 2]" 1 8 1 14 LEU N 1 54 LYS O 3.200 . 3.700 2.839 2.788 2.932 . 0 0 "[ . 1 . 2]" 1 9 1 15 ALA H 1 23 TYR O 2.200 . 2.700 1.898 1.848 1.948 . 0 0 "[ . 1 . 2]" 1 10 1 15 ALA N 1 23 TYR O 3.200 . 3.700 2.903 2.853 2.952 . 0 0 "[ . 1 . 2]" 1 11 1 17 TRP H 1 21 ARG O 2.200 . 2.700 2.008 1.940 2.118 . 0 0 "[ . 1 . 2]" 1 12 1 17 TRP N 1 21 ARG O 3.200 . 3.700 2.973 2.935 3.035 . 0 0 "[ . 1 . 2]" 1 13 1 17 TRP O 1 20 SER H 2.200 . 2.700 2.163 1.877 2.230 . 0 0 "[ . 1 . 2]" 1 14 1 17 TRP O 1 20 SER N 3.200 . 3.700 3.061 2.832 3.142 . 0 0 "[ . 1 . 2]" 1 15 1 15 ALA O 1 23 TYR H 2.200 . 2.700 2.067 1.983 2.138 . 0 0 "[ . 1 . 2]" 1 16 1 15 ALA O 1 23 TYR N 3.200 . 3.700 2.981 2.906 3.060 . 0 0 "[ . 1 . 2]" 1 17 1 13 VAL O 1 25 ALA H 2.200 . 2.700 1.961 1.901 2.136 . 0 0 "[ . 1 . 2]" 1 18 1 13 VAL O 1 25 ALA N 3.200 . 3.700 2.893 2.834 3.067 . 0 0 "[ . 1 . 2]" 1 19 1 26 LYS H 1 39 LYS O 2.200 . 2.700 1.843 1.798 1.914 0.002 12 0 "[ . 1 . 2]" 1 20 1 26 LYS N 1 39 LYS O 3.200 . 3.700 2.851 2.812 2.928 . 0 0 "[ . 1 . 2]" 1 21 1 11 GLU O 1 27 VAL H 2.200 . 2.700 1.880 1.839 1.942 . 0 0 "[ . 1 . 2]" 1 22 1 11 GLU O 1 27 VAL N 3.200 . 3.700 2.889 2.850 2.953 . 0 0 "[ . 1 . 2]" 1 23 1 28 THR H 1 37 THR O 2.200 . 2.700 1.901 1.865 1.941 . 0 0 "[ . 1 . 2]" 1 24 1 28 THR N 1 37 THR O 3.200 . 3.700 2.904 2.874 2.951 . 0 0 "[ . 1 . 2]" 1 25 1 29 ALA H 1 37 THR O 2.200 . 2.700 2.115 2.061 2.172 . 0 0 "[ . 1 . 2]" 1 26 1 29 ALA N 1 37 THR O 3.200 . 3.700 3.119 3.068 3.180 . 0 0 "[ . 1 . 2]" 1 27 1 31 ASN H 1 35 THR O 2.200 . 2.700 1.961 1.904 2.066 . 0 0 "[ . 1 . 2]" 1 28 1 31 ASN N 1 35 THR O 3.200 . 3.700 2.898 2.869 2.948 . 0 0 "[ . 1 . 2]" 1 29 1 31 ASN O 1 34 GLY H 2.200 . 2.700 1.956 1.927 2.018 . 0 0 "[ . 1 . 2]" 1 30 1 31 ASN O 1 34 GLY N 3.200 . 3.700 2.941 2.915 3.012 . 0 0 "[ . 1 . 2]" 1 31 1 36 TYR H 1 48 VAL O 2.200 . 2.700 1.847 1.817 1.862 . 0 0 "[ . 1 . 2]" 1 32 1 36 TYR N 1 48 VAL O 3.200 . 3.700 2.799 2.777 2.824 . 0 0 "[ . 1 . 2]" 1 33 1 29 ALA O 1 37 THR H 2.200 . 2.700 1.912 1.855 1.940 . 0 0 "[ . 1 . 2]" 1 34 1 29 ALA O 1 37 THR N 3.200 . 3.700 2.885 2.840 2.923 . 0 0 "[ . 1 . 2]" 1 35 1 38 VAL H 1 46 GLN O 2.200 . 2.700 2.097 2.040 2.160 . 0 0 "[ . 1 . 2]" 1 36 1 38 VAL N 1 46 GLN O 3.200 . 3.700 3.077 3.028 3.139 . 0 0 "[ . 1 . 2]" 1 37 1 26 LYS O 1 39 LYS H 2.200 . 2.700 1.836 1.798 1.886 0.002 18 0 "[ . 1 . 2]" 1 38 1 26 LYS O 1 39 LYS N 3.200 . 3.700 2.841 2.808 2.887 . 0 0 "[ . 1 . 2]" 1 39 1 40 PHE H 1 44 VAL O 2.200 . 2.700 1.846 1.828 1.874 . 0 0 "[ . 1 . 2]" 1 40 1 40 PHE N 1 44 VAL O 3.200 . 3.700 2.843 2.813 2.878 . 0 0 "[ . 1 . 2]" 1 41 1 40 PHE O 1 43 GLY H 2.200 . 2.700 1.995 1.936 2.072 . 0 0 "[ . 1 . 2]" 1 42 1 40 PHE O 1 43 GLY N 3.200 . 3.700 2.953 2.890 3.004 . 0 0 "[ . 1 . 2]" 1 43 1 38 VAL O 1 46 GLN H 2.200 . 2.700 2.135 2.061 2.228 . 0 0 "[ . 1 . 2]" 1 44 1 38 VAL O 1 46 GLN N 3.200 . 3.700 3.104 3.038 3.189 . 0 0 "[ . 1 . 2]" 1 45 1 36 TYR O 1 48 VAL H 2.200 . 2.700 1.840 1.823 1.871 . 0 0 "[ . 1 . 2]" 1 46 1 36 TYR O 1 48 VAL N 3.200 . 3.700 2.840 2.819 2.870 . 0 0 "[ . 1 . 2]" 1 47 1 34 GLY O 1 50 HIS H 2.200 . 2.700 2.015 1.949 2.202 . 0 0 "[ . 1 . 2]" 1 48 1 34 GLY O 1 50 HIS N 3.200 . 3.700 2.946 2.882 3.090 . 0 0 "[ . 1 . 2]" 1 49 1 49 LYS O 1 52 HIS H 2.200 . 2.700 1.934 1.907 1.998 . 0 0 "[ . 1 . 2]" 1 50 1 49 LYS O 1 52 HIS N 3.200 . 3.700 2.889 2.856 2.954 . 0 0 "[ . 1 . 2]" 1 51 1 14 LEU O 1 54 LYS H 2.200 . 2.700 1.932 1.893 1.998 . 0 0 "[ . 1 . 2]" 1 52 1 14 LEU O 1 54 LYS N 3.200 . 3.700 2.924 2.894 2.985 . 0 0 "[ . 1 . 2]" 1 53 1 6 GLU O 1 8 GLN QE 2.200 . 2.700 2.045 1.789 2.237 0.011 12 0 "[ . 1 . 2]" 1 54 1 15 ALA H 1 40 PHE QE 5.050 . 5.550 3.678 3.463 3.861 . 0 0 "[ . 1 . 2]" 1 55 1 23 TYR H 1 41 TYR HE2 7.500 . 8.000 7.542 7.504 7.599 . 0 0 "[ . 1 . 2]" 1 56 1 41 TYR HE2 1 42 ASP QB 8.420 . 8.920 7.460 7.317 7.514 . 0 0 "[ . 1 . 2]" 1 57 1 8 GLN HA 1 9 ILE QG 5.050 . 5.550 4.025 3.910 4.138 . 0 0 "[ . 1 . 2]" 1 58 1 8 GLN HA 1 30 VAL QG 6.070 . 6.570 3.698 3.155 4.152 . 0 0 "[ . 1 . 2]" 1 59 1 23 TYR QB 1 24 PRO QD 4.410 . 4.910 2.191 2.097 2.283 . 0 0 "[ . 1 . 2]" 1 60 1 23 TYR QB 1 24 PRO QG 5.670 . 6.170 3.672 3.509 3.754 . 0 0 "[ . 1 . 2]" 1 61 1 23 TYR QD 1 24 PRO QD 5.670 . 6.170 2.878 2.662 3.160 . 0 0 "[ . 1 . 2]" 1 62 1 27 VAL HA 1 30 VAL QG 7.410 . 7.910 4.526 4.448 4.580 . 0 0 "[ . 1 . 2]" 1 63 1 36 TYR QB 1 37 THR HB 8.420 . 8.920 5.418 5.348 5.831 . 0 0 "[ . 1 . 2]" 1 64 1 17 TRP HE3 1 19 ASP HA 4.500 . 5.000 4.618 4.515 4.663 . 0 0 "[ . 1 . 2]" 1 65 1 17 TRP HE3 1 19 ASP QB 3.140 . 3.640 2.051 2.006 2.149 . 0 0 "[ . 1 . 2]" 1 66 1 17 TRP HD1 1 18 SER QB 5.050 . 5.550 4.487 4.313 4.520 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 120 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 LYS 0.000 0.000 . 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 17 TRP HD1 1 44 VAL QG 7.410 . 7.910 3.838 3.407 4.300 . 0 0 "[ . 1 . 2]" 2 2 1 17 TRP HD1 1 19 ASP QB 6.170 . 6.670 5.518 5.502 5.540 . 0 0 "[ . 1 . 2]" 2 3 1 17 TRP HA 1 17 TRP HD1 4.500 . 5.000 2.350 2.228 2.411 . 0 0 "[ . 1 . 2]" 2 4 1 17 TRP HZ2 1 44 VAL QG 9.340 . 9.840 3.470 3.124 3.926 . 0 0 "[ . 1 . 2]" 2 5 1 40 PHE QE 1 46 GLN QB 6.170 . 6.670 4.099 3.851 4.492 . 0 0 "[ . 1 . 2]" 2 6 1 17 TRP HZ2 1 42 ASP QB 7.780 . 8.280 4.270 3.415 5.019 . 0 0 "[ . 1 . 2]" 2 7 1 17 TRP QB 1 40 PHE QE 6.170 . 6.670 2.940 2.502 3.192 . 0 0 "[ . 1 . 2]" 2 8 1 17 TRP HZ2 1 18 SER QB 8.420 . 8.920 5.675 5.320 5.909 . 0 0 "[ . 1 . 2]" 2 9 1 7 PHE HD1 1 13 VAL QG 6.070 . 6.570 4.029 3.654 4.486 . 0 0 "[ . 1 . 2]" 2 10 1 7 PHE HD1 1 27 VAL QG 7.410 . 7.910 5.110 4.813 5.343 . 0 0 "[ . 1 . 2]" 2 11 1 7 PHE HD1 1 55 ALA MB 6.610 . 7.110 4.302 3.731 5.012 . 0 0 "[ . 1 . 2]" 2 12 1 6 GLU HA 1 7 PHE HD1 7.500 . 8.000 5.810 5.207 6.234 . 0 0 "[ . 1 . 2]" 2 13 1 7 PHE HD1 1 8 GLN HA 6.170 . 6.670 4.291 3.778 4.894 . 0 0 "[ . 1 . 2]" 2 14 1 7 PHE HA 1 7 PHE HD1 3.500 . 4.000 2.750 2.516 3.030 . 0 0 "[ . 1 . 2]" 2 15 1 7 PHE H 1 7 PHE HD1 4.500 . 5.000 3.902 2.963 4.671 . 0 0 "[ . 1 . 2]" 2 16 1 6 GLU H 1 7 PHE HD1 7.500 . 8.000 5.074 4.592 5.833 . 0 0 "[ . 1 . 2]" 2 17 1 7 PHE HD1 1 8 GLN H 5.500 . 6.000 4.893 4.428 5.493 . 0 0 "[ . 1 . 2]" 2 18 1 7 PHE HD2 1 62 ILE MG 6.610 . 7.110 3.704 2.386 4.482 . 0 0 "[ . 1 . 2]" 2 19 1 7 PHE HD2 1 55 ALA MB 6.610 . 7.110 2.520 2.337 2.674 . 0 0 "[ . 1 . 2]" 2 20 1 6 GLU QB 1 7 PHE HD2 7.410 . 7.910 4.963 4.105 5.492 . 0 0 "[ . 1 . 2]" 2 21 1 6 GLU HA 1 7 PHE HD2 5.500 . 6.000 3.614 3.048 4.185 . 0 0 "[ . 1 . 2]" 2 22 1 5 SER HA 1 7 PHE HD2 6.170 . 6.670 4.095 3.551 4.597 . 0 0 "[ . 1 . 2]" 2 23 1 7 PHE HD2 1 55 ALA H 5.500 . 6.000 5.485 5.306 5.576 . 0 0 "[ . 1 . 2]" 2 24 1 7 PHE HD2 1 8 GLN H 7.500 . 8.000 5.965 5.481 6.318 . 0 0 "[ . 1 . 2]" 2 25 1 7 PHE HD2 1 8 GLN HA 7.500 . 8.000 6.868 6.625 7.245 . 0 0 "[ . 1 . 2]" 2 26 1 25 ALA MB 1 41 TYR QE 7.410 . 7.910 4.474 4.396 4.744 . 0 0 "[ . 1 . 2]" 2 27 1 41 TYR HE2 1 76 LEU QD 7.410 . 7.910 5.087 4.691 5.546 . 0 0 "[ . 1 . 2]" 2 28 1 26 LYS QB 1 41 TYR HE1 6.930 . 7.430 2.896 2.489 4.047 . 0 0 "[ . 1 . 2]" 2 29 1 24 PRO QG 1 41 TYR HE2 5.050 . 5.550 2.263 2.162 2.416 . 0 0 "[ . 1 . 2]" 2 30 1 24 PRO QB 1 41 TYR HE2 5.050 . 5.550 2.237 2.204 2.273 . 0 0 "[ . 1 . 2]" 2 31 1 23 TYR QB 1 41 TYR HE2 6.930 . 7.430 5.084 4.896 5.219 . 0 0 "[ . 1 . 2]" 2 32 1 24 PRO QD 1 41 TYR HE2 5.050 . 5.550 4.127 4.025 4.248 . 0 0 "[ . 1 . 2]" 2 33 1 41 TYR HE2 1 76 LEU HA 6.170 . 6.670 5.178 3.579 5.568 . 0 0 "[ . 1 . 2]" 2 34 1 12 GLN HA 1 41 TYR QE 5.670 . 6.170 3.321 3.185 3.646 . 0 0 "[ . 1 . 2]" 2 35 1 23 TYR HA 1 41 TYR HE2 7.500 . 8.000 6.547 6.459 6.670 . 0 0 "[ . 1 . 2]" 2 36 1 12 GLN QE 1 41 TYR QE 6.930 . 7.430 4.579 3.272 5.589 . 0 0 "[ . 1 . 2]" 2 37 1 41 TYR H 1 41 TYR QE 5.050 . 5.550 3.928 3.821 4.043 . 0 0 "[ . 1 . 2]" 2 38 1 36 TYR QD 1 53 VAL QG 5.940 . 6.440 2.669 2.483 2.784 . 0 0 "[ . 1 . 2]" 2 39 1 27 VAL QG 1 36 TYR HD2 7.280 . 7.780 3.727 3.108 4.002 . 0 0 "[ . 1 . 2]" 2 40 1 9 ILE QG 1 36 TYR QD 8.250 . 8.750 3.767 3.539 3.936 . 0 0 "[ . 1 . 2]" 2 41 1 36 TYR HD2 1 53 VAL HB . . 5.000 3.042 2.809 3.493 . 0 0 "[ . 1 . 2]" 2 42 1 13 VAL HB 1 36 TYR QD 7.410 . 7.910 4.874 4.723 5.290 . 0 0 "[ . 1 . 2]" 2 43 1 36 TYR HD2 1 64 GLY QA 5.670 . 6.170 4.796 3.941 5.114 . 0 0 "[ . 1 . 2]" 2 44 1 38 VAL QG 1 40 PHE QD 8.320 . 8.820 3.878 3.334 4.188 . 0 0 "[ . 1 . 2]" 2 45 1 25 ALA MB 1 40 PHE QD 5.400 . 5.900 2.657 2.474 2.911 . 0 0 "[ . 1 . 2]" 2 46 1 40 PHE QD 1 44 VAL QG . . 6.570 2.805 2.598 3.486 . 0 0 "[ . 1 . 2]" 2 47 1 15 ALA MB 1 40 PHE QD . . 6.570 4.190 3.991 4.398 . 0 0 "[ . 1 . 2]" 2 48 1 24 PRO QG 1 40 PHE QD 7.780 . 8.280 4.416 4.238 4.595 . 0 0 "[ . 1 . 2]" 2 49 1 24 PRO QB 1 40 PHE QD 7.780 . 8.280 4.567 4.406 4.730 . 0 0 "[ . 1 . 2]" 2 50 1 40 PHE HA 1 41 TYR QD 5.050 . 5.550 4.224 4.108 4.362 . 0 0 "[ . 1 . 2]" 2 51 1 23 TYR QD 1 40 PHE QD 7.410 . 7.910 4.468 4.351 4.568 . 0 0 "[ . 1 . 2]" 2 52 1 41 TYR H 1 41 TYR QD 3.930 . 4.430 2.579 2.363 2.753 . 0 0 "[ . 1 . 2]" 2 53 1 15 ALA H 1 40 PHE QD 6.170 . 6.670 5.417 5.233 5.531 . 0 0 "[ . 1 . 2]" 2 54 1 14 LEU QD 1 22 PHE HD1 8.640 . 9.140 4.129 3.736 4.835 . 0 0 "[ . 1 . 2]" 2 55 1 14 LEU QB 1 22 PHE HD1 5.050 . 5.550 3.214 2.693 4.245 . 0 0 "[ . 1 . 2]" 2 56 1 21 ARG HA 1 22 PHE HD1 5.500 . 6.000 4.988 3.893 5.521 . 0 0 "[ . 1 . 2]" 2 57 1 14 LEU HA 1 22 PHE HD1 6.610 . 7.110 3.599 3.387 4.008 . 0 0 "[ . 1 . 2]" 2 58 1 15 ALA HA 1 22 PHE HD1 . . 5.000 2.970 2.730 3.444 . 0 0 "[ . 1 . 2]" 2 59 1 22 PHE H 1 22 PHE HD1 4.500 . 5.000 3.564 3.181 3.842 . 0 0 "[ . 1 . 2]" 2 60 1 22 PHE HD1 1 23 TYR H 5.500 . 6.000 3.696 3.552 3.905 . 0 0 "[ . 1 . 2]" 2 61 1 14 LEU QD 1 56 PHE HD1 . . 6.570 2.574 2.371 2.765 . 0 0 "[ . 1 . 2]" 2 62 1 14 LEU QB 1 56 PHE HD1 5.880 . 6.380 4.291 4.200 4.427 . 0 0 "[ . 1 . 2]" 2 63 1 12 GLN QB 1 56 PHE HD1 7.190 . 7.690 3.875 3.501 4.615 . 0 0 "[ . 1 . 2]" 2 64 1 24 PRO QB 1 56 PHE HD1 6.170 . 6.670 3.428 3.030 4.505 . 0 0 "[ . 1 . 2]" 2 65 1 56 PHE HA 1 56 PHE HD1 4.500 . 5.000 2.371 2.125 2.636 . 0 0 "[ . 1 . 2]" 2 66 1 14 LEU H 1 56 PHE HD1 5.500 . 6.000 4.688 4.432 5.217 . 0 0 "[ . 1 . 2]" 2 67 1 14 LEU QD 1 56 PHE HE1 . . 6.570 2.474 2.377 2.535 . 0 0 "[ . 1 . 2]" 2 68 1 14 LEU QB 1 56 PHE HE1 6.170 . 6.670 5.508 5.444 5.530 . 0 0 "[ . 1 . 2]" 2 69 1 12 GLN QB 1 56 PHE HE1 6.930 . 7.430 3.886 3.546 4.551 . 0 0 "[ . 1 . 2]" 2 70 1 22 PHE QB 1 56 PHE HE1 8.420 . 8.920 6.273 6.008 6.579 . 0 0 "[ . 1 . 2]" 2 71 1 22 PHE HZ 1 53 VAL QG 7.410 . 7.910 5.577 5.548 5.627 . 0 0 "[ . 1 . 2]" 2 72 1 22 PHE HZ 1 54 LYS QG 5.670 . 6.170 3.811 3.623 4.175 . 0 0 "[ . 1 . 2]" 2 73 1 22 PHE HZ 1 54 LYS QD 6.170 . 6.670 3.767 3.493 4.151 . 0 0 "[ . 1 . 2]" 2 74 1 22 PHE HZ 1 54 LYS QE 6.170 . 6.670 3.479 3.141 4.187 . 0 0 "[ . 1 . 2]" 2 75 1 16 SER QB 1 22 PHE HZ 6.170 . 6.670 5.502 5.353 5.565 . 0 0 "[ . 1 . 2]" 2 76 1 22 PHE HZ 1 52 HIS HA 4.500 . 5.000 4.034 3.853 4.228 . 0 0 "[ . 1 . 2]" 2 77 1 16 SER H 1 22 PHE HZ 5.500 . 6.000 5.528 5.458 5.561 . 0 0 "[ . 1 . 2]" 2 78 1 7 PHE HZ 1 55 ALA MB 6.610 . 7.110 3.907 3.588 4.035 . 0 0 "[ . 1 . 2]" 2 79 1 7 PHE HZ 1 55 ALA H 7.500 . 8.000 7.502 7.214 7.584 . 0 0 "[ . 1 . 2]" 2 80 1 21 ARG QB 1 23 TYR HE1 6.170 . 6.670 5.420 4.844 5.561 . 0 0 "[ . 1 . 2]" 2 81 1 19 ASP QB 1 23 TYR QE 6.930 . 7.430 2.347 2.167 2.600 . 0 0 "[ . 1 . 2]" 2 82 1 17 TRP QB 1 23 TYR HE1 5.670 . 6.170 2.194 2.066 2.321 . 0 0 "[ . 1 . 2]" 2 83 1 17 TRP QB 1 23 TYR HE1 5.050 . 5.550 2.647 2.544 2.707 . 0 0 "[ . 1 . 2]" 2 84 1 17 TRP HA 1 23 TYR HE1 5.500 . 6.000 5.557 5.490 5.606 . 0 0 "[ . 1 . 2]" 2 85 1 17 TRP HZ3 1 23 TYR QE 5.670 . 6.170 3.781 3.690 3.894 . 0 0 "[ . 1 . 2]" 2 86 1 17 TRP HH2 1 23 TYR QE 6.170 . 6.670 5.546 5.503 5.592 . 0 0 "[ . 1 . 2]" 2 87 1 19 ASP H 1 23 TYR QE 6.170 . 6.670 4.180 4.080 4.363 . 0 0 "[ . 1 . 2]" 2 88 1 20 SER H 1 23 TYR HE1 6.170 . 6.670 2.858 2.648 4.263 . 0 0 "[ . 1 . 2]" 2 89 1 17 TRP HZ3 1 19 ASP QB . . 6.670 2.877 2.793 3.064 . 0 0 "[ . 1 . 2]" 2 90 1 14 LEU QB 1 36 TYR QE 11.350 . 11.850 7.019 6.646 7.226 . 0 0 "[ . 1 . 2]" 2 91 1 36 TYR QE 1 50 HIS HA 8.420 . 8.920 3.282 2.743 4.485 . 0 0 "[ . 1 . 2]" 2 92 1 36 TYR HE2 1 54 LYS HA 5.500 . 6.000 4.343 4.004 4.534 . 0 0 "[ . 1 . 2]" 2 93 1 51 ILE MG 1 52 HIS HD2 6.610 . 7.110 5.320 5.271 5.453 . 0 0 "[ . 1 . 2]" 2 94 1 49 LYS QB 1 52 HIS HD2 5.050 . 5.550 4.541 4.525 4.553 . 0 0 "[ . 1 . 2]" 2 95 1 16 SER QB 1 52 HIS HD2 6.170 . 6.670 3.784 3.643 3.928 . 0 0 "[ . 1 . 2]" 2 96 1 52 HIS HA 1 52 HIS HD2 3.500 . 4.000 2.530 2.443 2.591 . 0 0 "[ . 1 . 2]" 2 97 1 22 PHE HZ 1 52 HIS HD2 7.500 . 8.000 5.907 5.630 6.210 . 0 0 "[ . 1 . 2]" 2 98 1 52 HIS H 1 52 HIS HD2 5.500 . 6.000 4.025 3.957 4.065 . 0 0 "[ . 1 . 2]" 2 99 1 49 LYS H 1 52 HIS HD2 5.500 . 6.000 5.003 4.975 5.108 . 0 0 "[ . 1 . 2]" 2 100 1 50 HIS HD2 1 54 LYS QG 6.930 . 7.430 5.984 5.365 6.253 . 0 0 "[ . 1 . 2]" 2 101 1 50 HIS HD2 1 53 VAL HB 5.500 . 6.000 4.631 4.398 4.883 . 0 0 "[ . 1 . 2]" 2 102 1 50 HIS HA 1 50 HIS HD2 3.500 . 4.000 2.564 2.504 2.624 . 0 0 "[ . 1 . 2]" 2 103 1 50 HIS HD2 1 54 LYS HA 4.500 . 5.000 4.135 3.616 4.481 . 0 0 "[ . 1 . 2]" 2 104 1 51 ILE MD 1 52 HIS HE1 5.400 . 5.900 3.608 3.550 3.710 . 0 0 "[ . 1 . 2]" 2 105 1 48 VAL QG 1 52 HIS HE1 7.410 . 7.910 4.130 3.962 4.392 . 0 0 "[ . 1 . 2]" 2 106 1 49 LYS QG 1 52 HIS HE1 6.170 . 6.670 2.875 2.758 2.988 . 0 0 "[ . 1 . 2]" 2 107 1 49 LYS QD 1 52 HIS HE1 5.670 . 6.170 2.786 2.708 2.889 . 0 0 "[ . 1 . 2]" 2 108 1 49 LYS QB 1 52 HIS HE1 6.170 . 6.670 3.150 3.025 3.245 . 0 0 "[ . 1 . 2]" 2 109 1 58 LYS QE 1 72 HIS HE1 6.930 . 7.430 5.473 3.130 6.207 . 0 0 "[ . 1 . 2]" 2 110 1 52 HIS HE1 1 53 VAL H 7.500 . 8.000 7.546 7.471 7.597 . 0 0 "[ . 1 . 2]" 2 111 1 50 HIS HE1 1 61 ASN QD 6.170 . 6.670 5.155 4.683 5.538 . 0 0 "[ . 1 . 2]" 2 112 1 50 HIS HE1 1 54 LYS HA 7.500 . 8.000 7.450 7.108 7.576 . 0 0 "[ . 1 . 2]" 2 113 1 25 ALA MB 1 41 TYR QD 7.410 . 7.910 5.077 4.903 5.150 . 0 0 "[ . 1 . 2]" 2 114 1 12 GLN QG 1 41 TYR QD 6.360 . 6.860 4.307 4.243 4.378 . 0 0 "[ . 1 . 2]" 2 115 1 24 PRO QB 1 41 TYR HD2 5.050 . 5.550 4.525 4.463 4.548 . 0 0 "[ . 1 . 2]" 2 116 1 41 TYR QD 1 42 ASP H 5.050 . 5.550 4.188 4.081 4.270 . 0 0 "[ . 1 . 2]" 2 117 1 50 HIS HD2 1 51 ILE MG 6.490 . 6.990 4.507 4.430 4.530 . 0 0 "[ . 1 . 2]" 2 118 1 24 PRO QG 1 41 TYR HD2 5.050 . 5.550 3.584 3.452 3.701 . 0 0 "[ . 1 . 2]" 2 119 1 41 TYR HD2 1 42 ASP QB 6.170 . 6.670 5.458 5.298 5.512 . 0 0 "[ . 1 . 2]" 2 120 1 24 PRO QD 1 41 TYR HD2 6.170 . 6.670 5.082 4.955 5.274 . 0 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 1097 _Distance_constraint_stats_list.Viol_count 69 _Distance_constraint_stats_list.Viol_total 150.530 _Distance_constraint_stats_list.Viol_max 0.148 _Distance_constraint_stats_list.Viol_rms 0.0062 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.1091 _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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 GLN 0.780 0.141 20 0 "[ . 1 . 2]" 1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLU 0.780 0.141 20 0 "[ . 1 . 2]" 1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 VAL 6.682 0.148 9 0 "[ . 1 . 2]" 1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ALA 2.602 0.148 9 0 "[ . 1 . 2]" 1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 VAL 6.682 0.148 9 0 "[ . 1 . 2]" 1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 VAL 2.222 0.123 9 0 "[ . 1 . 2]" 1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 VAL 0.064 0.064 16 0 "[ . 1 . 2]" 1 64 GLY 0.064 0.064 16 0 "[ . 1 . 2]" 1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 GLY 0.000 0.000 . 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 7 PHE HA 1 8 GLN H 3.500 . 4.000 2.427 2.160 2.961 . 0 0 "[ . 1 . 2]" 3 2 1 7 PHE HA 1 8 GLN HA 4.500 . 5.000 4.509 4.344 4.602 . 0 0 "[ . 1 . 2]" 3 3 1 7 PHE HA 1 8 GLN QG 6.930 . 7.430 2.337 2.153 2.815 . 0 0 "[ . 1 . 2]" 3 4 1 7 PHE HA 1 12 GLN QB 6.170 . 6.670 4.986 4.036 5.536 . 0 0 "[ . 1 . 2]" 3 5 1 6 GLU QB 1 7 PHE HA . . 6.670 4.746 4.412 5.204 . 0 0 "[ . 1 . 2]" 3 6 1 7 PHE HA 1 11 GLU QB 6.170 . 6.670 2.680 2.306 2.945 . 0 0 "[ . 1 . 2]" 3 7 1 7 PHE QB 1 13 VAL QG . . 7.310 2.623 2.350 2.832 . 0 0 "[ . 1 . 2]" 3 8 1 7 PHE QB 1 27 VAL QG 6.810 . 7.310 3.649 3.416 3.900 . 0 0 "[ . 1 . 2]" 3 9 1 7 PHE QB 1 11 GLU QG 6.930 . 7.430 3.673 2.842 4.391 . 0 0 "[ . 1 . 2]" 3 10 1 7 PHE QB 1 8 GLN H 5.050 . 5.550 3.589 3.035 3.994 . 0 0 "[ . 1 . 2]" 3 11 1 7 PHE QB 1 11 GLU H . . 7.430 4.698 3.751 5.189 . 0 0 "[ . 1 . 2]" 3 12 1 6 GLU QB 1 7 PHE QB . . 8.280 5.056 4.753 5.492 . 0 0 "[ . 1 . 2]" 3 13 1 7 PHE QB 1 27 VAL QG 8.900 . 9.400 3.461 2.874 3.721 . 0 0 "[ . 1 . 2]" 3 14 1 7 PHE QB 1 63 VAL QG 8.320 . 8.820 3.160 2.539 3.512 . 0 0 "[ . 1 . 2]" 3 15 1 7 PHE QB 1 8 GLN QG 8.320 . 8.820 3.521 2.823 4.088 . 0 0 "[ . 1 . 2]" 3 16 1 6 GLU HA 1 7 PHE QB 6.170 . 6.670 4.419 4.258 4.575 . 0 0 "[ . 1 . 2]" 3 17 1 7 PHE QB 1 8 GLN HA . . 5.550 4.359 4.182 4.519 . 0 0 "[ . 1 . 2]" 3 18 1 8 GLN HA 1 10 ASN H 7.500 . 8.000 6.256 6.079 6.313 . 0 0 "[ . 1 . 2]" 3 19 1 8 GLN HA 1 12 GLN H 7.500 . 8.000 7.557 7.507 7.611 . 0 0 "[ . 1 . 2]" 3 20 1 8 GLN HA 1 9 ILE H 3.500 . 4.000 2.725 2.695 2.768 . 0 0 "[ . 1 . 2]" 3 21 1 8 GLN HA 1 11 GLU H 6.170 . 6.670 5.063 4.915 5.161 . 0 0 "[ . 1 . 2]" 3 22 1 8 GLN HA 1 36 TYR HH 5.500 . 6.000 5.553 5.457 5.604 . 0 0 "[ . 1 . 2]" 3 23 1 8 GLN HA 1 11 GLU HA 7.500 . 8.000 7.263 7.110 7.358 . 0 0 "[ . 1 . 2]" 3 24 1 8 GLN HA 1 27 VAL HA 7.500 . 8.000 7.299 6.558 7.527 . 0 0 "[ . 1 . 2]" 3 25 1 8 GLN HA 1 9 ILE HA 5.500 . 6.000 4.466 4.337 4.512 . 0 0 "[ . 1 . 2]" 3 26 1 8 GLN HA 1 11 GLU QB 5.670 . 6.170 3.784 2.975 4.172 . 0 0 "[ . 1 . 2]" 3 27 1 8 GLN HA 1 9 ILE HB 5.500 . 6.000 5.218 5.167 5.312 . 0 0 "[ . 1 . 2]" 3 28 1 8 GLN HA 1 27 VAL QG 7.410 . 7.910 3.401 2.790 3.608 . 0 0 "[ . 1 . 2]" 3 29 1 8 GLN HA 1 10 ASN QB 8.420 . 8.920 7.165 7.086 7.247 . 0 0 "[ . 1 . 2]" 3 30 1 8 GLN QB 1 9 ILE H 5.050 . 5.550 2.025 1.940 2.097 . 0 0 "[ . 1 . 2]" 3 31 1 8 GLN QB 1 11 GLU H 6.170 . 6.670 4.654 4.273 5.067 . 0 0 "[ . 1 . 2]" 3 32 1 8 GLN QG 1 30 VAL QG 12.590 . 13.090 3.116 2.042 4.219 . 0 0 "[ . 1 . 2]" 3 33 1 8 GLN QG 1 63 VAL QG 9.340 . 9.840 3.157 2.048 4.344 . 0 0 "[ . 1 . 2]" 3 34 1 8 GLN QG 1 63 VAL HB 6.930 . 7.430 4.665 2.822 6.208 . 0 0 "[ . 1 . 2]" 3 35 1 7 PHE QB 1 8 GLN QG 7.140 . 7.640 4.830 4.064 5.412 . 0 0 "[ . 1 . 2]" 3 36 1 6 GLU QB 1 8 GLN QG 8.180 . 8.680 3.629 2.137 4.476 . 0 0 "[ . 1 . 2]" 3 37 1 8 GLN QG 1 9 ILE HA 9.450 . 9.950 6.080 5.735 6.264 . 0 0 "[ . 1 . 2]" 3 38 1 7 PHE HA 1 8 GLN QG 5.670 . 6.170 4.745 4.216 5.201 . 0 0 "[ . 1 . 2]" 3 39 1 8 GLN QG 1 11 GLU H 8.320 . 8.820 5.822 5.107 6.152 . 0 0 "[ . 1 . 2]" 3 40 1 8 GLN QG 1 9 ILE H 6.810 . 7.310 3.847 3.524 4.158 . 0 0 "[ . 1 . 2]" 3 41 1 8 GLN H 1 8 GLN QG 4.410 . 4.910 3.296 2.332 3.940 . 0 0 "[ . 1 . 2]" 3 42 1 9 ILE HA 1 27 VAL QG . . 6.570 2.159 2.088 2.320 . 0 0 "[ . 1 . 2]" 3 43 1 9 ILE HA 1 26 LYS QG 6.930 . 7.430 5.217 4.866 6.133 . 0 0 "[ . 1 . 2]" 3 44 1 9 ILE HA 1 11 GLU QB 6.170 . 6.670 4.818 4.586 4.921 . 0 0 "[ . 1 . 2]" 3 45 1 7 PHE QB 1 9 ILE HA 8.420 . 8.920 6.879 6.468 7.355 . 0 0 "[ . 1 . 2]" 3 46 1 9 ILE HA 1 27 VAL HB 4.500 . 5.000 2.141 2.092 2.188 . 0 0 "[ . 1 . 2]" 3 47 1 9 ILE HA 1 10 ASN QB 6.170 . 6.670 4.703 4.546 4.742 . 0 0 "[ . 1 . 2]" 3 48 1 9 ILE HA 1 10 ASN HA 5.050 . 5.550 4.250 4.222 4.274 . 0 0 "[ . 1 . 2]" 3 49 1 9 ILE HA 1 29 ALA HA 5.500 . 6.000 4.667 4.526 4.831 . 0 0 "[ . 1 . 2]" 3 50 1 8 GLN HA 1 9 ILE HA 6.170 . 6.670 3.847 3.600 3.980 . 0 0 "[ . 1 . 2]" 3 51 1 9 ILE HA 1 26 LYS HA 8.420 . 8.920 5.907 5.709 6.084 . 0 0 "[ . 1 . 2]" 3 52 1 9 ILE HA 1 36 TYR HD1 8.420 . 8.920 6.240 6.063 6.479 . 0 0 "[ . 1 . 2]" 3 53 1 9 ILE HA 1 11 GLU H 4.500 . 5.000 3.355 3.307 3.415 . 0 0 "[ . 1 . 2]" 3 54 1 9 ILE HA 1 27 VAL H 5.500 . 6.000 4.422 4.176 4.610 . 0 0 "[ . 1 . 2]" 3 55 1 9 ILE HA 1 10 ASN H 3.500 . 4.000 2.214 2.173 2.232 . 0 0 "[ . 1 . 2]" 3 56 1 9 ILE HA 1 28 THR H 5.500 . 6.000 4.747 4.522 4.891 . 0 0 "[ . 1 . 2]" 3 57 1 9 ILE HA 1 29 ALA H 5.500 . 6.000 4.971 4.873 5.085 . 0 0 "[ . 1 . 2]" 3 58 1 8 GLN QB 1 9 ILE HA 6.170 . 6.670 4.348 4.282 4.482 . 0 0 "[ . 1 . 2]" 3 59 1 9 ILE HB 1 27 VAL QG 7.410 . 7.910 4.185 4.156 4.240 . 0 0 "[ . 1 . 2]" 3 60 1 8 GLN QB 1 9 ILE HB 6.170 . 6.670 3.747 3.617 3.927 . 0 0 "[ . 1 . 2]" 3 61 1 8 GLN QG 1 9 ILE HB 7.190 . 7.690 4.740 4.618 4.834 . 0 0 "[ . 1 . 2]" 3 62 1 9 ILE HB 1 10 ASN HA 6.170 . 6.670 5.560 5.546 5.573 . 0 0 "[ . 1 . 2]" 3 63 1 8 GLN HA 1 9 ILE HB 6.170 . 6.670 4.827 4.696 4.923 . 0 0 "[ . 1 . 2]" 3 64 1 9 ILE HB 1 11 GLU H 5.500 . 6.000 5.352 5.131 5.444 . 0 0 "[ . 1 . 2]" 3 65 1 9 ILE H 1 9 ILE HB 3.500 . 4.000 2.503 2.474 2.580 . 0 0 "[ . 1 . 2]" 3 66 1 9 ILE HB 1 10 ASN H 5.500 . 6.000 4.037 4.012 4.069 . 0 0 "[ . 1 . 2]" 3 67 1 9 ILE QG 1 10 ASN H 6.170 . 6.670 4.036 3.945 4.124 . 0 0 "[ . 1 . 2]" 3 68 1 9 ILE QG 1 30 VAL H 6.170 . 6.670 3.517 3.303 3.770 . 0 0 "[ . 1 . 2]" 3 69 1 8 GLN HA 1 9 ILE QG . . 7.430 3.715 3.537 3.881 . 0 0 "[ . 1 . 2]" 3 70 1 9 ILE QG 1 29 ALA HA . . 5.550 2.463 2.341 2.687 . 0 0 "[ . 1 . 2]" 3 71 1 9 ILE QG 1 29 ALA H 6.170 . 6.670 3.978 3.824 4.142 . 0 0 "[ . 1 . 2]" 3 72 1 9 ILE QG 1 10 ASN HA 9.450 . 9.950 5.342 5.174 5.437 . 0 0 "[ . 1 . 2]" 3 73 1 8 GLN QG 1 9 ILE QG 8.070 . 8.570 3.775 3.638 3.905 . 0 0 "[ . 1 . 2]" 3 74 1 9 ILE QG 1 29 ALA MB 7.410 . 7.910 4.023 3.910 4.211 . 0 0 "[ . 1 . 2]" 3 75 1 9 ILE MD 1 10 ASN H 6.610 . 7.110 4.947 4.850 5.030 . 0 0 "[ . 1 . 2]" 3 76 1 9 ILE MD 1 30 VAL H 5.400 . 5.900 2.944 2.688 3.248 . 0 0 "[ . 1 . 2]" 3 77 1 9 ILE H 1 9 ILE MD 5.400 . 5.900 3.592 3.526 3.686 . 0 0 "[ . 1 . 2]" 3 78 1 9 ILE MD 1 11 GLU H 9.010 . 9.510 6.484 6.362 6.558 . 0 0 "[ . 1 . 2]" 3 79 1 9 ILE MD 1 29 ALA H 6.610 . 7.110 4.661 4.595 4.781 . 0 0 "[ . 1 . 2]" 3 80 1 9 ILE MD 1 10 ASN QD 7.410 . 7.910 5.092 5.021 5.326 . 0 0 "[ . 1 . 2]" 3 81 1 8 GLN HA 1 9 ILE MD 7.410 . 7.910 4.483 4.306 4.622 . 0 0 "[ . 1 . 2]" 3 82 1 9 ILE MD 1 29 ALA HA 5.400 . 5.900 2.412 2.312 2.538 . 0 0 "[ . 1 . 2]" 3 83 1 9 ILE MD 1 10 ASN HA 7.410 . 7.910 5.481 5.377 5.530 . 0 0 "[ . 1 . 2]" 3 84 1 9 ILE MD 1 30 VAL HB 6.610 . 7.110 3.796 3.384 4.254 . 0 0 "[ . 1 . 2]" 3 85 1 9 ILE MD 1 29 ALA MB 6.490 . 6.990 3.355 3.258 3.506 . 0 0 "[ . 1 . 2]" 3 86 1 9 ILE MD 1 27 VAL QG 8.900 . 9.400 3.619 3.531 3.669 . 0 0 "[ . 1 . 2]" 3 87 1 9 ILE MG 1 10 ASN QB . . 6.570 3.263 2.869 3.385 . 0 0 "[ . 1 . 2]" 3 88 1 9 ILE MG 1 10 ASN HA 6.070 . 6.570 3.535 3.478 3.577 . 0 0 "[ . 1 . 2]" 3 89 1 9 ILE MG 1 29 ALA HA 6.610 . 7.110 3.442 3.255 3.758 . 0 0 "[ . 1 . 2]" 3 90 1 9 ILE MG 1 28 THR HA 5.400 . 5.900 2.604 2.338 2.821 . 0 0 "[ . 1 . 2]" 3 91 1 9 ILE MG 1 10 ASN QD 7.410 . 7.910 2.758 2.701 2.848 . 0 0 "[ . 1 . 2]" 3 92 1 9 ILE MG 1 10 ASN H 5.400 . 5.900 2.392 2.326 2.473 . 0 0 "[ . 1 . 2]" 3 93 1 10 ASN QB 1 11 GLU H 6.170 . 6.670 3.870 3.649 3.933 . 0 0 "[ . 1 . 2]" 3 94 1 8 GLN HA 1 10 ASN QB 9.450 . 9.950 5.475 5.300 5.656 . 0 0 "[ . 1 . 2]" 3 95 1 10 ASN QB 1 11 GLU QG 7.410 . 7.910 5.044 4.732 5.203 . 0 0 "[ . 1 . 2]" 3 96 1 9 ILE HB 1 10 ASN QB 6.170 . 6.670 4.474 4.247 4.562 . 0 0 "[ . 1 . 2]" 3 97 1 10 ASN QB 1 26 LYS QD 7.780 . 8.280 4.370 3.016 5.058 . 0 0 "[ . 1 . 2]" 3 98 1 10 ASN QB 1 26 LYS QG 7.780 . 8.280 4.176 3.867 5.357 . 0 0 "[ . 1 . 2]" 3 99 1 10 ASN QB 1 11 GLU QB 6.930 . 7.430 4.288 4.117 4.422 . 0 0 "[ . 1 . 2]" 3 100 1 10 ASN QB 1 26 LYS QE 8.730 . 9.230 3.419 2.603 5.066 . 0 0 "[ . 1 . 2]" 3 101 1 10 ASN QB 1 12 GLN H 8.420 . 8.920 6.684 6.483 6.791 . 0 0 "[ . 1 . 2]" 3 102 1 60 GLN HA 1 68 GLY H 7.500 . 8.000 5.693 5.110 7.195 . 0 0 "[ . 1 . 2]" 3 103 1 60 GLN HA 1 68 GLY QA 6.930 . 7.430 4.462 3.968 4.759 . 0 0 "[ . 1 . 2]" 3 104 1 9 ILE HA 1 10 ASN HA 4.500 . 5.000 4.304 4.279 4.324 . 0 0 "[ . 1 . 2]" 3 105 1 10 ASN HA 1 26 LYS QE 6.930 . 7.430 2.819 2.232 4.165 . 0 0 "[ . 1 . 2]" 3 106 1 59 ASP QB 1 60 GLN HA 6.930 . 7.430 3.828 3.753 3.938 . 0 0 "[ . 1 . 2]" 3 107 1 10 ASN HA 1 11 GLU QG 6.610 . 7.110 4.241 3.866 4.558 . 0 0 "[ . 1 . 2]" 3 108 1 10 ASN HA 1 26 LYS QB 5.670 . 6.170 4.470 3.077 4.863 . 0 0 "[ . 1 . 2]" 3 109 1 10 ASN HA 1 26 LYS QG 5.670 . 6.170 2.598 2.306 3.694 . 0 0 "[ . 1 . 2]" 3 110 1 9 ILE QG 1 10 ASN HA 7.190 . 7.690 4.382 4.097 4.619 . 0 0 "[ . 1 . 2]" 3 111 1 9 ILE MG 1 10 ASN HA 5.400 . 5.900 3.704 3.611 3.772 . 0 0 "[ . 1 . 2]" 3 112 1 8 GLN H 1 11 GLU HA 5.500 . 6.000 5.043 4.683 5.501 . 0 0 "[ . 1 . 2]" 3 113 1 11 GLU HA 1 12 GLN H 2.800 . 3.300 2.502 2.352 2.655 . 0 0 "[ . 1 . 2]" 3 114 1 10 ASN QB 1 11 GLU HA 6.170 . 6.670 4.514 4.316 4.594 . 0 0 "[ . 1 . 2]" 3 115 1 11 GLU HA 1 27 VAL QG 7.410 . 7.910 4.924 4.766 5.102 . 0 0 "[ . 1 . 2]" 3 116 1 10 ASN H 1 11 GLU QB 6.170 . 6.670 4.824 4.737 4.916 . 0 0 "[ . 1 . 2]" 3 117 1 8 GLN H 1 11 GLU QB 5.050 . 5.550 2.021 1.659 2.510 0.141 20 0 "[ . 1 . 2]" 3 118 1 11 GLU QB 1 12 GLN H . . 5.550 3.227 3.089 3.311 . 0 0 "[ . 1 . 2]" 3 119 1 11 GLU QB 1 27 VAL H 6.170 . 6.670 4.681 4.408 4.832 . 0 0 "[ . 1 . 2]" 3 120 1 7 PHE QB 1 11 GLU QB 6.930 . 7.430 4.012 3.333 4.571 . 0 0 "[ . 1 . 2]" 3 121 1 11 GLU QB 1 12 GLN QB 9.450 . 9.950 4.856 4.619 5.237 . 0 0 "[ . 1 . 2]" 3 122 1 11 GLU QB 1 27 VAL QG 8.320 . 8.820 3.787 3.301 4.000 . 0 0 "[ . 1 . 2]" 3 123 1 11 GLU QB 1 13 VAL QG 8.320 . 8.820 4.417 3.882 4.597 . 0 0 "[ . 1 . 2]" 3 124 1 8 GLN H 1 11 GLU QG 6.170 . 6.670 3.123 2.780 3.839 . 0 0 "[ . 1 . 2]" 3 125 1 11 GLU QG 1 12 GLN H 5.050 . 5.550 2.028 1.844 2.179 . 0 0 "[ . 1 . 2]" 3 126 1 7 PHE HD1 1 11 GLU QG 6.170 . 6.670 2.679 2.151 3.413 . 0 0 "[ . 1 . 2]" 3 127 1 7 PHE HA 1 11 GLU QG 6.170 . 6.670 2.343 2.159 2.828 . 0 0 "[ . 1 . 2]" 3 128 1 8 GLN HA 1 11 GLU QG 6.930 . 7.430 5.068 4.949 5.284 . 0 0 "[ . 1 . 2]" 3 129 1 8 GLN QB 1 11 GLU QG 7.780 . 8.280 3.272 3.003 3.632 . 0 0 "[ . 1 . 2]" 3 130 1 11 GLU QG 1 12 GLN QB 6.930 . 7.430 3.352 3.042 3.915 . 0 0 "[ . 1 . 2]" 3 131 1 11 GLU QG 1 27 VAL QG 8.320 . 8.820 4.576 4.395 4.702 . 0 0 "[ . 1 . 2]" 3 132 1 11 GLU QG 1 13 VAL QG 6.810 . 7.310 4.514 4.501 4.526 . 0 0 "[ . 1 . 2]" 3 133 1 12 GLN QB 1 13 VAL H 6.170 . 6.670 2.774 2.481 3.015 . 0 0 "[ . 1 . 2]" 3 134 1 12 GLN QB 1 56 PHE HE1 8.420 . 8.920 5.485 5.109 6.086 . 0 0 "[ . 1 . 2]" 3 135 1 7 PHE HE1 1 12 GLN QB . . 7.430 3.332 2.989 3.836 . 0 0 "[ . 1 . 2]" 3 136 1 12 GLN QB 1 26 LYS HA 6.170 . 6.670 4.644 4.080 4.946 . 0 0 "[ . 1 . 2]" 3 137 1 11 GLU HA 1 12 GLN QB 6.170 . 6.670 4.609 4.374 4.937 . 0 0 "[ . 1 . 2]" 3 138 1 12 GLN QB 1 55 ALA MB 10.110 . 10.610 5.822 5.420 6.174 . 0 0 "[ . 1 . 2]" 3 139 1 12 GLN QG 1 13 VAL H . . 5.550 3.882 3.603 4.493 . 0 0 "[ . 1 . 2]" 3 140 1 12 GLN QG 1 56 PHE HE1 8.420 . 8.920 6.221 5.581 6.857 . 0 0 "[ . 1 . 2]" 3 141 1 7 PHE HE1 1 12 GLN QG 7.780 . 8.280 4.690 3.935 4.975 . 0 0 "[ . 1 . 2]" 3 142 1 12 GLN QG 1 26 LYS HA 6.170 . 6.670 4.292 3.774 5.247 . 0 0 "[ . 1 . 2]" 3 143 1 11 GLU HA 1 12 GLN QG 6.170 . 6.670 4.021 3.574 4.970 . 0 0 "[ . 1 . 2]" 3 144 1 12 GLN QG 1 56 PHE QB 6.930 . 7.430 4.432 3.747 4.846 . 0 0 "[ . 1 . 2]" 3 145 1 12 GLN QG 1 26 LYS QB . . 8.280 4.676 3.215 5.815 . 0 0 "[ . 1 . 2]" 3 146 1 12 GLN QG 1 26 LYS QG 8.730 . 9.230 5.095 4.363 5.777 . 0 0 "[ . 1 . 2]" 3 147 1 13 VAL QG 1 54 LYS H 7.410 . 7.910 3.840 3.651 3.941 . 0 0 "[ . 1 . 2]" 3 148 1 13 VAL QG 1 25 ALA H . . 6.570 3.293 3.209 3.410 . 0 0 "[ . 1 . 2]" 3 149 1 12 GLN H 1 13 VAL QG . . 7.310 3.020 2.932 3.100 . 0 0 "[ . 1 . 2]" 3 150 1 13 VAL QG 1 27 VAL H 7.410 . 7.910 2.821 2.613 3.099 . 0 0 "[ . 1 . 2]" 3 151 1 11 GLU H 1 13 VAL QG 7.410 . 7.910 4.588 4.479 4.707 . 0 0 "[ . 1 . 2]" 3 152 1 13 VAL QG 1 36 TYR HH 6.070 . 6.570 3.011 2.641 3.226 . 0 0 "[ . 1 . 2]" 3 153 1 7 PHE QD 1 13 VAL QG 7.640 . 8.140 3.854 3.598 4.065 . 0 0 "[ . 1 . 2]" 3 154 1 13 VAL QG 1 26 LYS HA . . 7.310 3.163 2.484 3.494 . 0 0 "[ . 1 . 2]" 3 155 1 13 VAL QG 1 14 LEU HA . . 7.310 3.820 3.766 3.903 . 0 0 "[ . 1 . 2]" 3 156 1 13 VAL QG 1 55 ALA HA . . 6.570 2.232 2.083 2.371 . 0 0 "[ . 1 . 2]" 3 157 1 11 GLU HA 1 13 VAL QG 7.410 . 7.910 5.420 5.309 5.539 . 0 0 "[ . 1 . 2]" 3 158 1 13 VAL QG 1 27 VAL HA 7.410 . 7.910 2.977 2.841 3.069 . 0 0 "[ . 1 . 2]" 3 159 1 13 VAL QG 1 36 TYR QB 10.490 . 10.990 3.967 3.784 4.122 . 0 0 "[ . 1 . 2]" 3 160 1 13 VAL QG 1 53 VAL HB 7.410 . 7.910 4.417 4.242 4.571 . 0 0 "[ . 1 . 2]" 3 161 1 13 VAL QG 1 55 ALA MB . . 7.780 3.617 3.457 3.724 . 0 0 "[ . 1 . 2]" 3 162 1 13 VAL QG 1 14 LEU QB 10.880 . 11.380 2.799 2.654 2.965 . 0 0 "[ . 1 . 2]" 3 163 1 13 VAL QG 1 27 VAL QG . . 6.860 1.707 1.692 1.725 0.108 9 0 "[ . 1 . 2]" 3 164 1 13 VAL QG 1 38 VAL QG . . 6.860 2.065 2.043 2.088 . 0 0 "[ . 1 . 2]" 3 165 1 13 VAL QG 1 53 VAL QG 9.990 . 10.490 2.270 2.120 2.375 . 0 0 "[ . 1 . 2]" 3 166 1 13 VAL QG 1 28 THR H 7.410 . 7.910 4.657 4.525 4.766 . 0 0 "[ . 1 . 2]" 3 167 1 13 VAL QG 1 15 ALA H 7.410 . 7.910 4.270 4.136 4.379 . 0 0 "[ . 1 . 2]" 3 168 1 13 VAL QG 1 26 LYS H 8.320 . 8.820 3.999 3.778 4.281 . 0 0 "[ . 1 . 2]" 3 169 1 7 PHE HD2 1 13 VAL QG 7.410 . 7.910 5.045 4.625 5.458 . 0 0 "[ . 1 . 2]" 3 170 1 13 VAL QG 1 15 ALA HA 7.410 . 7.910 4.496 4.387 4.647 . 0 0 "[ . 1 . 2]" 3 171 1 12 GLN QG 1 13 VAL QG 8.320 . 8.820 4.809 4.591 5.141 . 0 0 "[ . 1 . 2]" 3 172 1 13 VAL QG 1 38 VAL HB 6.070 . 6.570 3.345 3.221 3.494 . 0 0 "[ . 1 . 2]" 3 173 1 13 VAL QG 1 15 ALA MB 5.670 . 6.170 2.830 2.676 3.012 . 0 0 "[ . 1 . 2]" 3 174 1 13 VAL QG 1 54 LYS QG 10.490 . 10.990 3.430 3.143 3.701 . 0 0 "[ . 1 . 2]" 3 175 1 13 VAL QG 1 30 VAL MG2 10.690 . 11.190 3.272 3.076 3.470 . 0 0 "[ . 1 . 2]" 3 176 1 13 VAL QG 1 25 ALA MB 5.440 . 5.940 1.670 1.652 1.685 0.148 9 0 "[ . 1 . 2]" 3 177 1 13 VAL HA 1 54 LYS H 7.500 . 8.000 4.997 4.832 5.187 . 0 0 "[ . 1 . 2]" 3 178 1 13 VAL HA 1 14 LEU H 3.500 . 4.000 2.478 2.397 2.536 . 0 0 "[ . 1 . 2]" 3 179 1 7 PHE HE1 1 13 VAL HA 6.610 . 7.110 4.248 4.042 4.634 . 0 0 "[ . 1 . 2]" 3 180 1 13 VAL HA 1 55 ALA HA 4.500 . 5.000 2.891 2.617 3.071 . 0 0 "[ . 1 . 2]" 3 181 1 13 VAL HA 1 56 PHE HA 5.500 . 6.000 3.800 3.170 4.101 . 0 0 "[ . 1 . 2]" 3 182 1 13 VAL HA 1 56 PHE QB 5.050 . 5.550 3.446 2.916 3.726 . 0 0 "[ . 1 . 2]" 3 183 1 11 GLU QG 1 13 VAL HA 8.420 . 8.920 5.819 5.693 5.979 . 0 0 "[ . 1 . 2]" 3 184 1 13 VAL HA 1 14 LEU QB 7.190 . 7.690 3.899 3.760 3.961 . 0 0 "[ . 1 . 2]" 3 185 1 13 VAL HA 1 14 LEU HG 5.500 . 6.000 4.334 4.076 4.731 . 0 0 "[ . 1 . 2]" 3 186 1 13 VAL HA 1 14 LEU QD 7.470 . 7.970 3.812 3.739 3.887 . 0 0 "[ . 1 . 2]" 3 187 1 13 VAL HB 1 54 LYS H 5.500 . 6.000 3.364 3.237 3.468 . 0 0 "[ . 1 . 2]" 3 188 1 13 VAL HB 1 14 LEU H 3.500 . 4.000 2.285 2.137 2.485 . 0 0 "[ . 1 . 2]" 3 189 1 13 VAL HB 1 36 TYR QD 7.190 . 7.690 4.548 4.297 4.658 . 0 0 "[ . 1 . 2]" 3 190 1 13 VAL HB 1 14 LEU HA 6.170 . 6.670 3.989 3.899 4.043 . 0 0 "[ . 1 . 2]" 3 191 1 12 GLN HA 1 13 VAL HB 6.610 . 7.110 4.498 4.278 4.579 . 0 0 "[ . 1 . 2]" 3 192 1 13 VAL HB 1 14 LEU QB 7.190 . 7.690 4.161 4.072 4.270 . 0 0 "[ . 1 . 2]" 3 193 1 13 VAL HB 1 14 LEU QB 7.190 . 7.690 3.578 3.420 3.686 . 0 0 "[ . 1 . 2]" 3 194 1 13 VAL HB 1 14 LEU QD 9.140 . 9.640 3.398 3.342 3.452 . 0 0 "[ . 1 . 2]" 3 195 1 13 VAL HB 1 53 VAL QG 4.720 . 5.220 2.391 2.299 2.498 . 0 0 "[ . 1 . 2]" 3 196 1 13 VAL QG 1 14 LEU HA 8.320 . 8.820 3.996 3.908 4.086 . 0 0 "[ . 1 . 2]" 3 197 1 13 VAL HB 1 14 LEU HA 5.500 . 6.000 4.402 4.239 4.472 . 0 0 "[ . 1 . 2]" 3 198 1 14 LEU HA 1 22 PHE QB 6.170 . 6.670 3.795 3.598 4.007 . 0 0 "[ . 1 . 2]" 3 199 1 13 VAL HA 1 14 LEU HA 5.500 . 6.000 4.536 4.520 4.563 . 0 0 "[ . 1 . 2]" 3 200 1 14 LEU HA 1 22 PHE HD1 5.500 . 6.000 4.696 4.241 5.545 . 0 0 "[ . 1 . 2]" 3 201 1 14 LEU HA 1 23 TYR HD1 6.170 . 6.670 4.142 3.806 4.811 . 0 0 "[ . 1 . 2]" 3 202 1 14 LEU HA 1 25 ALA H 5.500 . 6.000 3.642 3.542 3.763 . 0 0 "[ . 1 . 2]" 3 203 1 14 LEU HA 1 15 ALA H 3.500 . 4.000 2.208 2.175 2.239 . 0 0 "[ . 1 . 2]" 3 204 1 14 LEU QB 1 15 ALA H 6.170 . 6.670 3.313 3.186 3.397 . 0 0 "[ . 1 . 2]" 3 205 1 14 LEU QB 1 54 LYS H 6.170 . 6.670 3.221 3.057 3.454 . 0 0 "[ . 1 . 2]" 3 206 1 14 LEU QB 1 22 PHE H 6.170 . 6.670 5.234 5.054 5.502 . 0 0 "[ . 1 . 2]" 3 207 1 14 LEU QB 1 22 PHE HE1 6.930 . 7.430 4.537 4.115 5.261 . 0 0 "[ . 1 . 2]" 3 208 1 14 LEU QB 1 56 PHE HD1 6.170 . 6.670 4.385 4.281 4.538 . 0 0 "[ . 1 . 2]" 3 209 1 14 LEU QB 1 22 PHE QB . . 6.170 2.170 2.109 2.272 . 0 0 "[ . 1 . 2]" 3 210 1 13 VAL HB 1 14 LEU QB 6.170 . 6.670 4.332 4.236 4.497 . 0 0 "[ . 1 . 2]" 3 211 1 14 LEU QB 1 54 LYS QE 6.930 . 7.430 3.157 2.859 3.602 . 0 0 "[ . 1 . 2]" 3 212 1 14 LEU QB 1 53 VAL HB . . 7.910 4.240 4.113 4.403 . 0 0 "[ . 1 . 2]" 3 213 1 14 LEU QB 1 53 VAL QG 8.320 . 8.820 4.228 4.158 4.347 . 0 0 "[ . 1 . 2]" 3 214 1 14 LEU QD 1 15 ALA H . . 6.570 3.493 3.372 3.633 . 0 0 "[ . 1 . 2]" 3 215 1 14 LEU QD 1 54 LYS H 7.410 . 7.910 4.681 4.524 4.842 . 0 0 "[ . 1 . 2]" 3 216 1 14 LEU QD 1 22 PHE HD1 7.410 . 7.910 4.190 3.770 4.965 . 0 0 "[ . 1 . 2]" 3 217 1 14 LEU QD 1 22 PHE HA 8.320 . 8.820 3.773 3.526 3.994 . 0 0 "[ . 1 . 2]" 3 218 1 14 LEU QD 1 56 PHE HA 6.070 . 6.570 2.847 2.354 3.256 . 0 0 "[ . 1 . 2]" 3 219 1 14 LEU QD 1 22 PHE QB 6.810 . 7.310 2.271 2.010 2.549 . 0 0 "[ . 1 . 2]" 3 220 1 14 LEU QD 1 54 LYS QE 6.810 . 7.310 2.452 2.056 3.042 . 0 0 "[ . 1 . 2]" 3 221 1 14 LEU QD 1 24 PRO QB . . 7.310 2.980 2.797 3.214 . 0 0 "[ . 1 . 2]" 3 222 1 14 LEU QD 1 24 PRO QG . . 7.310 4.019 3.822 4.257 . 0 0 "[ . 1 . 2]" 3 223 1 14 LEU QD 1 54 LYS QB 8.320 . 8.820 4.611 4.289 4.848 . 0 0 "[ . 1 . 2]" 3 224 1 14 LEU QD 1 76 LEU QD 8.180 . 8.680 3.789 3.148 4.530 . 0 0 "[ . 1 . 2]" 3 225 1 14 LEU H 1 14 LEU HG 5.500 . 6.000 3.289 3.089 3.490 . 0 0 "[ . 1 . 2]" 3 226 1 14 LEU HG 1 56 PHE HD1 5.500 . 6.000 2.372 2.167 2.532 . 0 0 "[ . 1 . 2]" 3 227 1 14 LEU HG 1 56 PHE HA 4.500 . 5.000 2.183 2.062 2.388 . 0 0 "[ . 1 . 2]" 3 228 1 14 LEU HG 1 56 PHE QB 6.170 . 6.670 3.938 3.633 4.166 . 0 0 "[ . 1 . 2]" 3 229 1 14 LEU QD 1 23 TYR H 7.410 . 7.910 3.478 3.229 3.696 . 0 0 "[ . 1 . 2]" 3 230 1 14 LEU QD 1 25 ALA H 6.070 . 6.570 4.234 4.111 4.446 . 0 0 "[ . 1 . 2]" 3 231 1 14 LEU QD 1 56 PHE QB 8.320 . 8.820 4.066 3.761 4.293 . 0 0 "[ . 1 . 2]" 3 232 1 15 ALA HA 1 54 LYS H 5.500 . 6.000 3.720 3.639 3.834 . 0 0 "[ . 1 . 2]" 3 233 1 15 ALA HA 1 16 SER H 4.500 . 5.000 2.230 2.210 2.251 . 0 0 "[ . 1 . 2]" 3 234 1 15 ALA HA 1 53 VAL H 5.500 . 6.000 4.830 4.797 4.862 . 0 0 "[ . 1 . 2]" 3 235 1 15 ALA HA 1 22 PHE HE1 5.500 . 6.000 3.633 3.374 4.144 . 0 0 "[ . 1 . 2]" 3 236 1 15 ALA HA 1 53 VAL HA 4.500 . 5.000 2.300 2.250 2.358 . 0 0 "[ . 1 . 2]" 3 237 1 13 VAL HA 1 15 ALA HA 7.500 . 8.000 6.908 6.768 7.048 . 0 0 "[ . 1 . 2]" 3 238 1 15 ALA HA 1 16 SER HA 5.500 . 6.000 4.358 4.327 4.396 . 0 0 "[ . 1 . 2]" 3 239 1 15 ALA HA 1 16 SER QB 6.930 . 7.430 4.042 3.908 4.092 . 0 0 "[ . 1 . 2]" 3 240 1 15 ALA HA 1 16 SER QB 6.170 . 6.670 4.320 4.231 4.367 . 0 0 "[ . 1 . 2]" 3 241 1 13 VAL HB 1 15 ALA HA 5.500 . 6.000 4.891 4.697 5.029 . 0 0 "[ . 1 . 2]" 3 242 1 15 ALA HA 1 53 VAL HB 6.610 . 7.110 4.570 4.524 4.638 . 0 0 "[ . 1 . 2]" 3 243 1 15 ALA HA 1 54 LYS QD 8.420 . 8.920 6.875 6.724 6.984 . 0 0 "[ . 1 . 2]" 3 244 1 15 ALA HA 1 48 VAL QG 7.410 . 7.910 4.393 4.230 4.509 . 0 0 "[ . 1 . 2]" 3 245 1 15 ALA HA 1 53 VAL QG 6.070 . 6.570 2.307 2.257 2.372 . 0 0 "[ . 1 . 2]" 3 246 1 13 VAL QG 1 15 ALA HA 8.320 . 8.820 3.678 3.627 3.750 . 0 0 "[ . 1 . 2]" 3 247 1 15 ALA HA 1 52 HIS QB 6.170 . 6.670 4.418 4.284 4.512 . 0 0 "[ . 1 . 2]" 3 248 1 15 ALA MB 1 25 ALA H 6.610 . 7.110 4.341 4.212 4.435 . 0 0 "[ . 1 . 2]" 3 249 1 14 LEU H 1 15 ALA MB 7.410 . 7.910 4.164 4.005 4.357 . 0 0 "[ . 1 . 2]" 3 250 1 15 ALA MB 1 16 SER H 5.400 . 5.900 2.967 2.890 3.050 . 0 0 "[ . 1 . 2]" 3 251 1 15 ALA MB 1 40 PHE HZ 5.400 . 5.900 2.781 2.325 3.290 . 0 0 "[ . 1 . 2]" 3 252 1 15 ALA MB 1 22 PHE HD1 6.610 . 7.110 4.267 4.136 4.549 . 0 0 "[ . 1 . 2]" 3 253 1 15 ALA MB 1 17 TRP HA 7.410 . 7.910 4.436 4.173 4.655 . 0 0 "[ . 1 . 2]" 3 254 1 14 LEU HA 1 15 ALA MB 6.070 . 6.570 3.286 3.243 3.356 . 0 0 "[ . 1 . 2]" 3 255 1 15 ALA MB 1 22 PHE HA 7.410 . 7.910 4.136 4.085 4.182 . 0 0 "[ . 1 . 2]" 3 256 1 15 ALA MB 1 36 TYR QB 10.820 . 11.320 4.345 4.178 4.686 . 0 0 "[ . 1 . 2]" 3 257 1 15 ALA MB 1 48 VAL QG 7.280 . 7.780 3.108 2.879 3.287 . 0 0 "[ . 1 . 2]" 3 258 1 15 ALA MB 1 25 ALA MB 5.050 . 5.550 2.262 2.165 2.353 . 0 0 "[ . 1 . 2]" 3 259 1 15 ALA MB 1 38 VAL QG . . 6.170 1.958 1.913 2.034 . 0 0 "[ . 1 . 2]" 3 260 1 13 VAL QG 1 15 ALA MB 6.360 . 6.860 1.924 1.889 1.985 . 0 0 "[ . 1 . 2]" 3 261 1 15 ALA MB 1 53 VAL QG . . 6.170 2.044 1.998 2.085 . 0 0 "[ . 1 . 2]" 3 262 1 15 ALA MB 1 38 VAL HB . . 5.900 3.331 3.203 3.416 . 0 0 "[ . 1 . 2]" 3 263 1 13 VAL HB 1 15 ALA MB 7.930 . 8.430 3.773 3.537 3.934 . 0 0 "[ . 1 . 2]" 3 264 1 15 ALA MB 1 53 VAL HB 6.610 . 7.110 4.512 4.444 4.575 . 0 0 "[ . 1 . 2]" 3 265 1 15 ALA MB 1 54 LYS H 6.610 . 7.110 4.360 4.253 4.456 . 0 0 "[ . 1 . 2]" 3 266 1 16 SER HA 1 23 TYR H 4.500 . 5.000 3.731 3.489 3.925 . 0 0 "[ . 1 . 2]" 3 267 1 16 SER HA 1 17 TRP H 3.500 . 4.000 2.141 2.095 2.196 . 0 0 "[ . 1 . 2]" 3 268 1 16 SER HA 1 22 PHE H 5.500 . 6.000 3.481 3.240 3.936 . 0 0 "[ . 1 . 2]" 3 269 1 16 SER HA 1 20 SER H 6.170 . 6.670 4.241 3.634 4.436 . 0 0 "[ . 1 . 2]" 3 270 1 16 SER HA 1 17 TRP HE3 6.170 . 6.670 5.185 5.000 5.409 . 0 0 "[ . 1 . 2]" 3 271 1 16 SER HA 1 22 PHE HE1 6.170 . 6.670 4.008 3.708 4.222 . 0 0 "[ . 1 . 2]" 3 272 1 16 SER HA 1 23 TYR HD1 5.500 . 6.000 3.969 3.789 4.122 . 0 0 "[ . 1 . 2]" 3 273 1 16 SER HA 1 22 PHE HD1 5.500 . 6.000 3.206 2.468 3.658 . 0 0 "[ . 1 . 2]" 3 274 1 16 SER HA 1 52 HIS HA 7.500 . 8.000 5.425 5.277 5.570 . 0 0 "[ . 1 . 2]" 3 275 1 16 SER HA 1 52 HIS QB 6.170 . 6.670 4.986 4.896 5.127 . 0 0 "[ . 1 . 2]" 3 276 1 16 SER HA 1 17 TRP QB 6.170 . 6.670 4.010 3.818 4.137 . 0 0 "[ . 1 . 2]" 3 277 1 16 SER HA 1 22 PHE QB 6.170 . 6.670 4.369 4.250 4.459 . 0 0 "[ . 1 . 2]" 3 278 1 14 LEU QB 1 16 SER HA 7.410 . 7.910 4.034 3.846 4.324 . 0 0 "[ . 1 . 2]" 3 279 1 14 LEU QB 1 16 SER HA 7.190 . 7.690 4.308 4.274 4.339 . 0 0 "[ . 1 . 2]" 3 280 1 16 SER QB 1 17 TRP H 6.170 . 6.670 3.407 2.866 3.659 . 0 0 "[ . 1 . 2]" 3 281 1 16 SER QB 1 22 PHE H 8.420 . 8.920 4.622 4.148 5.261 . 0 0 "[ . 1 . 2]" 3 282 1 16 SER QB 1 21 ARG H . . 7.430 4.446 3.671 4.719 . 0 0 "[ . 1 . 2]" 3 283 1 16 SER QB 1 53 VAL H 6.170 . 6.670 5.535 5.523 5.545 . 0 0 "[ . 1 . 2]" 3 284 1 16 SER QB 1 23 TYR HE1 8.420 . 8.920 6.364 6.164 6.684 . 0 0 "[ . 1 . 2]" 3 285 1 16 SER QB 1 22 PHE HZ 7.410 . 7.910 4.927 4.802 5.051 . 0 0 "[ . 1 . 2]" 3 286 1 16 SER QB 1 22 PHE HE1 6.170 . 6.670 3.965 3.378 4.298 . 0 0 "[ . 1 . 2]" 3 287 1 16 SER QB 1 22 PHE HD1 6.930 . 7.430 3.481 3.212 3.656 . 0 0 "[ . 1 . 2]" 3 288 1 16 SER QB 1 17 TRP HA 6.170 . 6.670 4.576 4.325 4.697 . 0 0 "[ . 1 . 2]" 3 289 1 16 SER QB 1 52 HIS HA 6.170 . 6.670 3.092 2.988 3.249 . 0 0 "[ . 1 . 2]" 3 290 1 16 SER QB 1 52 HIS QB . . 6.170 2.268 2.156 2.434 . 0 0 "[ . 1 . 2]" 3 291 1 15 ALA MB 1 16 SER QB 7.410 . 7.910 4.356 4.230 4.434 . 0 0 "[ . 1 . 2]" 3 292 1 16 SER QB 1 48 VAL QG 8.320 . 8.820 3.838 3.573 4.061 . 0 0 "[ . 1 . 2]" 3 293 1 16 SER QB 1 53 VAL QG 8.320 . 8.820 4.153 4.001 4.254 . 0 0 "[ . 1 . 2]" 3 294 1 16 SER QB 1 48 VAL HB 6.170 . 6.670 4.829 4.656 5.099 . 0 0 "[ . 1 . 2]" 3 295 1 17 TRP QB 1 23 TYR HD1 5.050 . 5.550 2.116 2.032 2.227 . 0 0 "[ . 1 . 2]" 3 296 1 17 TRP QB 1 23 TYR H 6.170 . 6.670 4.080 3.906 4.223 . 0 0 "[ . 1 . 2]" 3 297 1 17 TRP HA 1 17 TRP HE3 5.050 . 5.550 4.689 4.682 4.710 . 0 0 "[ . 1 . 2]" 3 298 1 17 TRP HA 1 46 GLN QE 6.170 . 6.670 3.400 3.156 3.787 . 0 0 "[ . 1 . 2]" 3 299 1 17 TRP HA 1 18 SER H 5.500 . 6.000 2.355 2.300 2.453 . 0 0 "[ . 1 . 2]" 3 300 1 16 SER HA 1 17 TRP HA 5.500 . 6.000 4.461 4.431 4.489 . 0 0 "[ . 1 . 2]" 3 301 1 17 TRP HA 1 18 SER HA 6.170 . 6.670 4.292 4.275 4.315 . 0 0 "[ . 1 . 2]" 3 302 1 17 TRP HA 1 46 GLN QG 6.170 . 6.670 5.382 5.035 5.545 . 0 0 "[ . 1 . 2]" 3 303 1 17 TRP HA 1 48 VAL QG 10.110 . 10.610 5.238 4.967 5.562 . 0 0 "[ . 1 . 2]" 3 304 1 18 SER QB 1 20 SER H 6.170 . 6.670 4.991 4.419 5.181 . 0 0 "[ . 1 . 2]" 3 305 1 18 SER QB 1 19 ASP H 6.170 . 6.670 3.039 2.930 3.137 . 0 0 "[ . 1 . 2]" 3 306 1 17 TRP HE3 1 18 SER QB 10.610 . 11.110 5.293 5.044 5.397 . 0 0 "[ . 1 . 2]" 3 307 1 17 TRP HZ2 1 18 SER QB 10.610 . 11.110 5.224 4.980 5.457 . 0 0 "[ . 1 . 2]" 3 308 1 17 TRP HD1 1 18 SER QB . . 7.910 4.370 4.216 4.415 . 0 0 "[ . 1 . 2]" 3 309 1 17 TRP HZ3 1 18 SER QB 8.420 . 8.920 6.543 6.153 6.702 . 0 0 "[ . 1 . 2]" 3 310 1 17 TRP HA 1 18 SER QB 6.170 . 6.670 4.693 4.637 4.777 . 0 0 "[ . 1 . 2]" 3 311 1 18 SER QB 1 19 ASP HA 6.170 . 6.670 4.153 4.080 4.287 . 0 0 "[ . 1 . 2]" 3 312 1 9 ILE MD 1 29 ALA HA 5.300 . 5.800 2.324 2.233 2.438 . 0 0 "[ . 1 . 2]" 3 313 1 9 ILE HB 1 29 ALA HA 5.500 . 6.000 5.159 5.026 5.308 . 0 0 "[ . 1 . 2]" 3 314 1 29 ALA HA 1 30 VAL HB 4.500 . 5.000 4.558 4.540 4.574 . 0 0 "[ . 1 . 2]" 3 315 1 18 SER HA 1 19 ASP HA 6.070 . 6.570 3.865 3.816 3.928 . 0 0 "[ . 1 . 2]" 3 316 1 19 ASP HA 1 20 SER QB 6.070 . 6.570 4.072 4.040 4.110 . 0 0 "[ . 1 . 2]" 3 317 1 29 ALA HA 1 37 THR HA 7.500 . 8.000 6.891 6.830 6.956 . 0 0 "[ . 1 . 2]" 3 318 1 29 ALA HA 1 30 VAL H 3.500 . 4.000 2.359 2.316 2.382 . 0 0 "[ . 1 . 2]" 3 319 1 29 ALA HA 1 37 THR H 5.500 . 6.000 4.739 4.678 4.834 . 0 0 "[ . 1 . 2]" 3 320 1 28 THR H 1 29 ALA HA 5.500 . 6.000 4.581 4.521 4.648 . 0 0 "[ . 1 . 2]" 3 321 1 19 ASP QB 1 20 SER H . . 7.430 2.583 2.410 3.283 . 0 0 "[ . 1 . 2]" 3 322 1 17 TRP HE3 1 19 ASP QB 6.930 . 7.430 1.926 1.861 1.984 . 0 0 "[ . 1 . 2]" 3 323 1 33 ASP QB 1 35 THR MG 7.410 . 7.910 3.612 3.490 3.663 . 0 0 "[ . 1 . 2]" 3 324 1 19 ASP HA 1 20 SER HA 6.170 . 6.670 4.213 4.019 4.268 . 0 0 "[ . 1 . 2]" 3 325 1 18 SER HA 1 19 ASP H 5.500 . 6.000 3.493 3.462 3.530 . 0 0 "[ . 1 . 2]" 3 326 1 21 ARG QB 1 22 PHE H 5.050 . 5.550 1.992 1.927 2.062 . 0 0 "[ . 1 . 2]" 3 327 1 21 ARG QB 1 22 PHE HE1 6.170 . 6.670 5.562 5.527 5.580 . 0 0 "[ . 1 . 2]" 3 328 1 66 ALA HA 1 67 ARG QD 5.050 . 5.550 4.436 2.899 4.617 . 0 0 "[ . 1 . 2]" 3 329 1 20 SER HA 1 21 ARG QD 5.050 . 5.550 4.423 4.234 4.647 . 0 0 "[ . 1 . 2]" 3 330 1 21 ARG QG 1 22 PHE H 6.170 . 6.670 2.396 2.173 2.938 . 0 0 "[ . 1 . 2]" 3 331 1 21 ARG QG 1 22 PHE HA 8.420 . 8.920 4.411 4.252 4.605 . 0 0 "[ . 1 . 2]" 3 332 1 21 ARG QG 1 75 HIS QB 5.670 . 6.170 4.483 4.257 4.537 . 0 0 "[ . 1 . 2]" 3 333 1 20 SER QB 1 21 ARG QG 6.930 . 7.430 4.306 4.011 5.318 . 0 0 "[ . 1 . 2]" 3 334 1 22 PHE QB 1 23 TYR H 6.170 . 6.670 2.954 2.692 3.069 . 0 0 "[ . 1 . 2]" 3 335 1 14 LEU HA 1 22 PHE QB 7.780 . 8.280 3.747 3.558 3.943 . 0 0 "[ . 1 . 2]" 3 336 1 14 LEU QB 1 22 PHE QB 7.780 . 8.280 2.132 2.051 2.253 . 0 0 "[ . 1 . 2]" 3 337 1 14 LEU HG 1 22 PHE QB 8.320 . 8.820 3.175 2.679 3.851 . 0 0 "[ . 1 . 2]" 3 338 1 58 LYS QE 1 59 ASP QB 7.780 . 8.280 4.853 3.659 5.844 . 0 0 "[ . 1 . 2]" 3 339 1 58 LYS QB 1 59 ASP QB 6.930 . 7.430 4.369 3.541 4.989 . 0 0 "[ . 1 . 2]" 3 340 1 58 LYS QG 1 59 ASP QB 8.730 . 9.230 3.742 2.784 5.082 . 0 0 "[ . 1 . 2]" 3 341 1 59 ASP QB 1 62 ILE MD 7.410 . 7.910 5.385 4.860 5.521 . 0 0 "[ . 1 . 2]" 3 342 1 59 ASP QB 1 60 GLN HA 6.170 . 6.670 4.630 4.498 4.681 . 0 0 "[ . 1 . 2]" 3 343 1 58 LYS HA 1 59 ASP QB 6.170 . 6.670 5.190 5.129 5.234 . 0 0 "[ . 1 . 2]" 3 344 1 23 TYR HA 1 40 PHE QD 7.500 . 8.000 5.999 5.771 6.173 . 0 0 "[ . 1 . 2]" 3 345 1 23 TYR HA 1 24 PRO QD 3.930 . 4.430 2.294 2.250 2.346 . 0 0 "[ . 1 . 2]" 3 346 1 23 TYR HA 1 24 PRO QG 6.170 . 6.670 4.231 4.193 4.285 . 0 0 "[ . 1 . 2]" 3 347 1 21 ARG QB 1 23 TYR HA 6.930 . 7.430 4.202 4.166 4.254 . 0 0 "[ . 1 . 2]" 3 348 1 15 ALA MB 1 23 TYR HA 9.010 . 9.510 6.103 6.020 6.164 . 0 0 "[ . 1 . 2]" 3 349 1 14 LEU QD 1 23 TYR HA 6.810 . 7.310 3.251 3.024 3.526 . 0 0 "[ . 1 . 2]" 3 350 1 15 ALA H 1 23 TYR HA 5.500 . 6.000 4.762 4.671 4.853 . 0 0 "[ . 1 . 2]" 3 351 1 23 TYR QB 1 40 PHE QD 6.810 . 7.310 3.331 3.054 3.571 . 0 0 "[ . 1 . 2]" 3 352 1 22 PHE HA 1 23 TYR QB 8.320 . 8.820 4.144 3.981 4.200 . 0 0 "[ . 1 . 2]" 3 353 1 16 SER HA 1 23 TYR QB 9.450 . 9.950 4.972 4.676 5.263 . 0 0 "[ . 1 . 2]" 3 354 1 22 PHE QB 1 23 TYR QB 8.730 . 9.230 4.895 4.707 4.976 . 0 0 "[ . 1 . 2]" 3 355 1 14 LEU QB 1 23 TYR QB 9.700 . 10.200 4.363 4.184 4.530 . 0 0 "[ . 1 . 2]" 3 356 1 14 LEU QD 1 23 TYR QB 12.920 . 13.420 3.823 3.698 3.929 . 0 0 "[ . 1 . 2]" 3 357 1 15 ALA H 1 24 PRO HA 5.500 . 6.000 3.717 3.638 3.878 . 0 0 "[ . 1 . 2]" 3 358 1 24 PRO HA 1 25 ALA H 3.500 . 4.000 2.226 2.190 2.282 . 0 0 "[ . 1 . 2]" 3 359 1 13 VAL H 1 24 PRO HA 5.500 . 6.000 4.193 4.065 4.291 . 0 0 "[ . 1 . 2]" 3 360 1 24 PRO HA 1 40 PHE QD 6.170 . 6.670 5.218 5.081 5.399 . 0 0 "[ . 1 . 2]" 3 361 1 24 PRO HA 1 56 PHE HE1 5.500 . 6.000 4.361 4.021 5.339 . 0 0 "[ . 1 . 2]" 3 362 1 24 PRO HA 1 56 PHE HD1 5.500 . 6.000 3.920 3.490 4.925 . 0 0 "[ . 1 . 2]" 3 363 1 13 VAL HA 1 24 PRO HA 6.170 . 6.670 5.154 5.024 5.263 . 0 0 "[ . 1 . 2]" 3 364 1 14 LEU QB 1 24 PRO HA 6.170 . 6.670 4.555 4.353 4.667 . 0 0 "[ . 1 . 2]" 3 365 1 14 LEU QD 1 24 PRO HA 5.300 . 5.800 2.445 2.274 2.667 . 0 0 "[ . 1 . 2]" 3 366 1 13 VAL QG 1 24 PRO HA 7.410 . 7.910 4.594 4.523 4.676 . 0 0 "[ . 1 . 2]" 3 367 1 24 PRO QB 1 25 ALA H 5.050 . 5.550 3.052 2.987 3.130 . 0 0 "[ . 1 . 2]" 3 368 1 24 PRO QB 1 56 PHE HE1 6.170 . 6.670 2.882 2.521 3.841 . 0 0 "[ . 1 . 2]" 3 369 1 24 PRO QB 1 40 PHE QD 8.900 . 9.400 4.286 4.250 4.314 . 0 0 "[ . 1 . 2]" 3 370 1 12 GLN QE 1 24 PRO QB 8.320 . 8.820 2.217 2.082 2.271 . 0 0 "[ . 1 . 2]" 3 371 1 24 PRO QB 1 26 LYS HA 8.420 . 8.920 6.232 6.091 6.370 . 0 0 "[ . 1 . 2]" 3 372 1 23 TYR HA 1 24 PRO QB 6.170 . 6.670 4.744 4.686 4.816 . 0 0 "[ . 1 . 2]" 3 373 1 24 PRO QB 1 56 PHE HA 6.170 . 6.670 5.488 5.337 5.566 . 0 0 "[ . 1 . 2]" 3 374 1 14 LEU HG 1 24 PRO QB 6.170 . 6.670 4.648 4.185 4.893 . 0 0 "[ . 1 . 2]" 3 375 1 24 PRO QB 1 76 LEU QD 6.810 . 7.310 3.190 2.736 4.174 . 0 0 "[ . 1 . 2]" 3 376 1 30 VAL HB 1 31 ASN H 5.500 . 6.000 4.012 3.904 4.139 . 0 0 "[ . 1 . 2]" 3 377 1 24 PRO QG 1 25 ALA H 6.170 . 6.670 4.534 4.469 4.603 . 0 0 "[ . 1 . 2]" 3 378 1 24 PRO QG 1 40 PHE QD 6.930 . 7.430 3.517 3.401 3.610 . 0 0 "[ . 1 . 2]" 3 379 1 24 PRO QG 1 56 PHE HE1 6.170 . 6.670 3.979 3.599 4.699 . 0 0 "[ . 1 . 2]" 3 380 1 23 TYR QD 1 24 PRO QG 10.110 . 10.610 4.445 4.151 4.690 . 0 0 "[ . 1 . 2]" 3 381 1 14 LEU QD 1 24 PRO QG . . 10.200 3.885 3.729 4.055 . 0 0 "[ . 1 . 2]" 3 382 1 15 ALA H 1 24 PRO QD 6.170 . 6.670 5.187 5.134 5.252 . 0 0 "[ . 1 . 2]" 3 383 1 23 TYR H 1 24 PRO QD 6.170 . 6.670 4.329 4.282 4.372 . 0 0 "[ . 1 . 2]" 3 384 1 24 PRO QD 1 25 ALA H 6.170 . 6.670 4.993 4.956 5.008 . 0 0 "[ . 1 . 2]" 3 385 1 23 TYR QE 1 24 PRO QD 7.780 . 8.280 4.964 4.770 5.200 . 0 0 "[ . 1 . 2]" 3 386 1 24 PRO QD 1 40 PHE QD 5.670 . 6.170 4.513 4.492 4.534 . 0 0 "[ . 1 . 2]" 3 387 1 23 TYR HD2 1 24 PRO QD 6.170 . 6.670 2.893 2.670 3.186 . 0 0 "[ . 1 . 2]" 3 388 1 24 PRO QD 1 56 PHE HE1 6.170 . 6.670 3.797 3.481 4.447 . 0 0 "[ . 1 . 2]" 3 389 1 12 GLN QE 1 24 PRO QD . . 7.910 4.098 3.993 4.238 . 0 0 "[ . 1 . 2]" 3 390 1 22 PHE QB 1 24 PRO QD 6.930 . 7.430 5.012 4.926 5.167 . 0 0 "[ . 1 . 2]" 3 391 1 24 PRO QD 1 76 LEU QD 8.320 . 8.820 2.990 2.445 3.776 . 0 0 "[ . 1 . 2]" 3 392 1 14 LEU QD 1 24 PRO QD . . 9.840 2.955 2.817 3.132 . 0 0 "[ . 1 . 2]" 3 393 1 25 ALA HA 1 41 TYR H 5.500 . 6.000 3.561 3.310 3.704 . 0 0 "[ . 1 . 2]" 3 394 1 25 ALA HA 1 26 LYS H 4.500 . 5.000 2.444 2.353 2.584 . 0 0 "[ . 1 . 2]" 3 395 1 25 ALA HA 1 40 PHE QD 6.170 . 6.670 3.545 3.311 3.871 . 0 0 "[ . 1 . 2]" 3 396 1 25 ALA HA 1 26 LYS HA 5.500 . 6.000 4.505 4.479 4.554 . 0 0 "[ . 1 . 2]" 3 397 1 25 ALA HA 1 39 LYS HA 7.500 . 8.000 6.100 6.006 6.212 . 0 0 "[ . 1 . 2]" 3 398 1 25 ALA HA 1 26 LYS QB 6.930 . 7.430 4.060 3.929 4.518 . 0 0 "[ . 1 . 2]" 3 399 1 13 VAL QG 1 25 ALA HA 8.320 . 8.820 4.126 3.979 4.236 . 0 0 "[ . 1 . 2]" 3 400 1 25 ALA MB 1 28 THR H 7.410 . 7.910 4.041 3.867 4.174 . 0 0 "[ . 1 . 2]" 3 401 1 23 TYR H 1 25 ALA MB 7.410 . 7.910 4.667 4.555 4.759 . 0 0 "[ . 1 . 2]" 3 402 1 15 ALA H 1 25 ALA MB 5.400 . 5.900 3.475 3.376 3.622 . 0 0 "[ . 1 . 2]" 3 403 1 13 VAL H 1 25 ALA MB 7.410 . 7.910 3.808 3.699 3.929 . 0 0 "[ . 1 . 2]" 3 404 1 25 ALA MB 1 39 LYS H 5.400 . 5.900 3.271 3.188 3.376 . 0 0 "[ . 1 . 2]" 3 405 1 25 ALA MB 1 41 TYR H 5.400 . 5.900 4.437 4.205 4.526 . 0 0 "[ . 1 . 2]" 3 406 1 25 ALA MB 1 27 VAL H 6.610 . 7.110 5.008 4.957 5.090 . 0 0 "[ . 1 . 2]" 3 407 1 25 ALA MB 1 26 LYS H 4.200 . 4.700 2.460 2.366 2.616 . 0 0 "[ . 1 . 2]" 3 408 1 17 TRP HA 1 25 ALA MB 6.490 . 6.990 3.705 3.606 3.749 . 0 0 "[ . 1 . 2]" 3 409 1 14 LEU HA 1 25 ALA MB 5.050 . 5.550 3.549 3.526 3.576 . 0 0 "[ . 1 . 2]" 3 410 1 24 PRO QD 1 25 ALA MB 7.930 . 8.430 4.423 4.352 4.497 . 0 0 "[ . 1 . 2]" 3 411 1 24 PRO QB 1 25 ALA MB 7.410 . 7.910 4.594 4.559 4.616 . 0 0 "[ . 1 . 2]" 3 412 1 24 PRO QG 1 25 ALA MB 10.110 . 10.610 5.164 5.092 5.250 . 0 0 "[ . 1 . 2]" 3 413 1 25 ALA MB 1 38 VAL HB 4.200 . 4.700 2.308 2.214 2.393 . 0 0 "[ . 1 . 2]" 3 414 1 25 ALA MB 1 38 VAL QG 5.670 . 6.170 2.659 2.565 2.715 . 0 0 "[ . 1 . 2]" 3 415 1 13 VAL QG 1 25 ALA MB 5.090 . 5.590 2.213 2.103 2.273 . 0 0 "[ . 1 . 2]" 3 416 1 25 ALA MB 1 28 THR MG 7.070 . 7.570 4.535 4.508 4.561 . 0 0 "[ . 1 . 2]" 3 417 1 26 LYS HA 1 28 THR H 8.420 . 8.920 5.929 5.879 5.967 . 0 0 "[ . 1 . 2]" 3 418 1 10 ASN H 1 26 LYS HA 6.170 . 6.670 4.441 4.252 4.506 . 0 0 "[ . 1 . 2]" 3 419 1 13 VAL H 1 26 LYS HA 4.500 . 5.000 3.650 3.067 3.870 . 0 0 "[ . 1 . 2]" 3 420 1 26 LYS HA 1 39 LYS H 5.500 . 6.000 4.781 4.746 4.830 . 0 0 "[ . 1 . 2]" 3 421 1 12 GLN H 1 26 LYS HA 6.170 . 6.670 4.619 4.319 4.838 . 0 0 "[ . 1 . 2]" 3 422 1 26 LYS HA 1 27 VAL H 3.500 . 4.000 2.285 2.234 2.320 . 0 0 "[ . 1 . 2]" 3 423 1 13 VAL HA 1 26 LYS HA 8.420 . 8.920 5.731 5.252 5.857 . 0 0 "[ . 1 . 2]" 3 424 1 10 ASN HA 1 26 LYS HA 6.170 . 6.670 4.306 4.112 4.442 . 0 0 "[ . 1 . 2]" 3 425 1 26 LYS HA 1 27 VAL HA 5.500 . 6.000 4.511 4.312 4.567 . 0 0 "[ . 1 . 2]" 3 426 1 11 GLU QG 1 26 LYS HA 7.190 . 7.690 4.447 4.359 4.501 . 0 0 "[ . 1 . 2]" 3 427 1 11 GLU QB 1 26 LYS HA 7.410 . 7.910 4.079 3.687 4.692 . 0 0 "[ . 1 . 2]" 3 428 1 26 LYS HA 1 38 VAL HB 6.610 . 7.110 5.127 4.994 5.252 . 0 0 "[ . 1 . 2]" 3 429 1 26 LYS HA 1 28 THR MG 7.610 . 8.110 4.880 4.760 5.162 . 0 0 "[ . 1 . 2]" 3 430 1 26 LYS HA 1 27 VAL QG 7.410 . 7.910 3.756 3.431 3.866 . 0 0 "[ . 1 . 2]" 3 431 1 25 ALA MB 1 26 LYS HA 6.490 . 6.990 3.512 3.242 3.601 . 0 0 "[ . 1 . 2]" 3 432 1 26 LYS HA 1 38 VAL QG 7.410 . 7.910 4.869 4.500 4.988 . 0 0 "[ . 1 . 2]" 3 433 1 13 VAL QG 1 26 LYS HA 6.810 . 7.310 3.243 2.493 3.636 . 0 0 "[ . 1 . 2]" 3 434 1 12 GLN QB 1 26 LYS HA 6.610 . 7.110 4.526 4.045 4.789 . 0 0 "[ . 1 . 2]" 3 435 1 26 LYS QB 1 28 THR H 8.320 . 8.820 5.027 4.849 5.718 . 0 0 "[ . 1 . 2]" 3 436 1 10 ASN H 1 26 LYS QB 8.320 . 8.820 4.781 3.885 4.976 . 0 0 "[ . 1 . 2]" 3 437 1 13 VAL H 1 26 LYS QB 6.930 . 7.430 5.251 4.374 5.487 . 0 0 "[ . 1 . 2]" 3 438 1 26 LYS QB 1 39 LYS H 6.930 . 7.430 3.446 3.150 4.807 . 0 0 "[ . 1 . 2]" 3 439 1 26 LYS QB 1 27 VAL H 5.670 . 6.170 3.748 2.709 3.913 . 0 0 "[ . 1 . 2]" 3 440 1 10 ASN HA 1 26 LYS QB 6.810 . 7.310 4.390 3.074 4.727 . 0 0 "[ . 1 . 2]" 3 441 1 9 ILE HA 1 26 LYS QB 9.450 . 9.950 6.827 5.396 7.183 . 0 0 "[ . 1 . 2]" 3 442 1 24 PRO QB 1 26 LYS QB 9.700 . 10.200 5.195 4.373 5.329 . 0 0 "[ . 1 . 2]" 3 443 1 11 GLU QB 1 26 LYS QB 11.000 . 11.500 4.412 3.151 5.144 . 0 0 "[ . 1 . 2]" 3 444 1 26 LYS QB 1 28 THR MG 8.800 . 9.300 3.146 2.886 4.240 . 0 0 "[ . 1 . 2]" 3 445 1 26 LYS QB 1 27 VAL QG . . 9.840 4.837 4.132 4.943 . 0 0 "[ . 1 . 2]" 3 446 1 25 ALA MB 1 26 LYS QB 8.750 . 9.250 3.900 3.859 3.987 . 0 0 "[ . 1 . 2]" 3 447 1 13 VAL QG 1 26 LYS QB 9.340 . 9.840 4.569 3.918 4.878 . 0 0 "[ . 1 . 2]" 3 448 1 10 ASN H 1 26 LYS QG 6.930 . 7.430 3.596 3.300 4.561 . 0 0 "[ . 1 . 2]" 3 449 1 13 VAL H 1 26 LYS QG 9.450 . 9.950 5.762 5.560 5.945 . 0 0 "[ . 1 . 2]" 3 450 1 26 LYS QG 1 39 LYS H 6.930 . 7.430 4.218 3.257 4.549 . 0 0 "[ . 1 . 2]" 3 451 1 12 GLN H 1 26 LYS QG 6.930 . 7.430 5.208 4.799 6.246 . 0 0 "[ . 1 . 2]" 3 452 1 26 LYS QG 1 27 VAL H 6.930 . 7.430 3.011 2.651 3.926 . 0 0 "[ . 1 . 2]" 3 453 1 11 GLU H 1 26 LYS QG 6.930 . 7.430 3.757 3.084 4.970 . 0 0 "[ . 1 . 2]" 3 454 1 11 GLU QG 1 26 LYS QG 9.700 . 10.200 4.236 3.928 5.290 . 0 0 "[ . 1 . 2]" 3 455 1 11 GLU QB 1 26 LYS QG 9.990 . 10.490 4.519 4.067 4.975 . 0 0 "[ . 1 . 2]" 3 456 1 25 ALA MB 1 26 LYS QG 10.690 . 11.190 4.019 3.901 4.155 . 0 0 "[ . 1 . 2]" 3 457 1 27 VAL H 1 39 LYS QD 7.780 . 8.280 5.501 5.400 5.570 . 0 0 "[ . 1 . 2]" 3 458 1 26 LYS HA 1 39 LYS QD 10.610 . 11.110 5.654 5.534 5.898 . 0 0 "[ . 1 . 2]" 3 459 1 10 ASN HA 1 39 LYS QD 6.360 . 6.860 5.081 5.062 5.108 . 0 0 "[ . 1 . 2]" 3 460 1 39 LYS QD 1 43 GLY QA . . 6.170 4.493 4.365 4.546 . 0 0 "[ . 1 . 2]" 3 461 1 26 LYS QG 1 39 LYS QD 5.560 . 6.060 4.387 3.832 4.456 . 0 0 "[ . 1 . 2]" 3 462 1 39 LYS QD 1 45 VAL MG2 4.720 . 5.220 2.694 2.418 2.816 . 0 0 "[ . 1 . 2]" 3 463 1 39 LYS QE 1 45 VAL MG1 8.320 . 8.820 5.226 5.004 5.381 . 0 0 "[ . 1 . 2]" 3 464 1 39 LYS QE 1 45 VAL MG2 6.810 . 7.310 3.214 2.867 3.511 . 0 0 "[ . 1 . 2]" 3 465 1 10 ASN HA 1 26 LYS QE 8.320 . 8.820 2.267 2.115 2.599 . 0 0 "[ . 1 . 2]" 3 466 1 26 LYS QE 1 27 VAL H 8.730 . 9.230 3.911 3.779 4.035 . 0 0 "[ . 1 . 2]" 3 467 1 27 VAL HA 1 28 THR H 3.500 . 4.000 2.249 2.234 2.266 . 0 0 "[ . 1 . 2]" 3 468 1 27 VAL HA 1 39 LYS H 5.500 . 6.000 3.934 3.878 4.011 . 0 0 "[ . 1 . 2]" 3 469 1 5 SER QB 1 6 GLU H 7.410 . 7.910 3.178 2.604 3.465 . 0 0 "[ . 1 . 2]" 3 470 1 5 SER QB 1 7 PHE H 8.320 . 8.820 4.441 2.678 5.766 . 0 0 "[ . 1 . 2]" 3 471 1 5 SER QB 1 7 PHE HE1 9.060 . 9.560 2.981 2.144 3.775 . 0 0 "[ . 1 . 2]" 3 472 1 27 VAL HA 1 38 VAL HA 4.500 . 5.000 2.620 2.564 2.686 . 0 0 "[ . 1 . 2]" 3 473 1 27 VAL HA 1 38 VAL HB 5.500 . 6.000 3.839 3.745 4.034 . 0 0 "[ . 1 . 2]" 3 474 1 9 ILE QG 1 27 VAL HA 6.360 . 6.860 3.758 3.728 3.784 . 0 0 "[ . 1 . 2]" 3 475 1 27 VAL HA 1 38 VAL QG 6.070 . 6.570 2.162 2.100 2.247 . 0 0 "[ . 1 . 2]" 3 476 1 13 VAL QG 1 27 VAL HA 8.320 . 8.820 2.112 2.059 2.185 . 0 0 "[ . 1 . 2]" 3 477 1 27 VAL HB 1 28 THR H 5.500 . 6.000 4.167 4.113 4.209 . 0 0 "[ . 1 . 2]" 3 478 1 11 GLU H 1 27 VAL HB 4.500 . 5.000 2.712 2.589 2.943 . 0 0 "[ . 1 . 2]" 3 479 1 26 LYS HA 1 27 VAL HB 5.500 . 6.000 4.740 4.647 4.802 . 0 0 "[ . 1 . 2]" 3 480 1 10 ASN HA 1 27 VAL HB 6.170 . 6.670 4.263 3.880 4.591 . 0 0 "[ . 1 . 2]" 3 481 1 11 GLU QB 1 27 VAL HB 6.170 . 6.670 4.325 4.030 4.472 . 0 0 "[ . 1 . 2]" 3 482 1 26 LYS QB 1 27 VAL HB 6.930 . 7.430 5.605 4.482 5.771 . 0 0 "[ . 1 . 2]" 3 483 1 9 ILE QG 1 27 VAL HB 8.200 . 8.700 3.714 3.576 3.799 . 0 0 "[ . 1 . 2]" 3 484 1 13 VAL QG 1 27 VAL HB 8.320 . 8.820 3.528 3.493 3.560 . 0 0 "[ . 1 . 2]" 3 485 1 27 VAL HB 1 36 TYR HD1 6.170 . 6.670 5.374 5.234 5.551 . 0 0 "[ . 1 . 2]" 3 486 1 27 VAL QG 1 28 THR H 6.070 . 6.570 2.661 2.607 2.729 . 0 0 "[ . 1 . 2]" 3 487 1 10 ASN H 1 27 VAL QG 6.070 . 6.570 3.339 3.100 3.610 . 0 0 "[ . 1 . 2]" 3 488 1 27 VAL QG 1 37 THR H 6.070 . 6.570 3.549 3.472 3.748 . 0 0 "[ . 1 . 2]" 3 489 1 9 ILE H 1 27 VAL QG 7.410 . 7.910 3.421 3.130 3.552 . 0 0 "[ . 1 . 2]" 3 490 1 11 GLU H 1 27 VAL QG . . 6.570 3.326 3.178 3.497 . 0 0 "[ . 1 . 2]" 3 491 1 27 VAL QG 1 29 ALA H 6.070 . 6.570 2.636 2.575 2.697 . 0 0 "[ . 1 . 2]" 3 492 1 27 VAL QG 1 36 TYR HD1 5.940 . 6.440 2.624 2.487 2.927 . 0 0 "[ . 1 . 2]" 3 493 1 26 LYS HA 1 27 VAL QG . . 7.310 3.387 3.201 3.443 . 0 0 "[ . 1 . 2]" 3 494 1 8 GLN HA 1 27 VAL QG . . 8.820 3.092 2.703 3.202 . 0 0 "[ . 1 . 2]" 3 495 1 27 VAL QG 1 29 ALA HA 9.340 . 9.840 3.170 3.058 3.281 . 0 0 "[ . 1 . 2]" 3 496 1 10 ASN HA 1 27 VAL QG 9.340 . 9.840 4.307 4.127 4.429 . 0 0 "[ . 1 . 2]" 3 497 1 27 VAL QG 1 30 VAL HA 7.410 . 7.910 3.979 3.872 4.126 . 0 0 "[ . 1 . 2]" 3 498 1 27 VAL QG 1 36 TYR QB 8.320 . 8.820 4.330 4.144 4.985 . 0 0 "[ . 1 . 2]" 3 499 1 9 ILE QG 1 27 VAL QG 8.320 . 8.820 2.229 2.187 2.321 . 0 0 "[ . 1 . 2]" 3 500 1 26 LYS QG 1 27 VAL QG 10.490 . 10.990 4.225 4.013 4.869 . 0 0 "[ . 1 . 2]" 3 501 1 9 ILE QG 1 27 VAL QG 7.490 . 7.990 2.192 2.116 2.287 . 0 0 "[ . 1 . 2]" 3 502 1 27 VAL QG 1 38 VAL QG . . 6.860 2.685 2.597 2.825 . 0 0 "[ . 1 . 2]" 3 503 1 13 VAL H 1 27 VAL QG 8.320 . 8.820 3.293 3.207 3.451 . 0 0 "[ . 1 . 2]" 3 504 1 8 GLN H 1 27 VAL QG 7.410 . 7.910 4.092 3.649 4.591 . 0 0 "[ . 1 . 2]" 3 505 1 7 PHE HA 1 27 VAL QG 8.320 . 8.820 3.675 3.319 4.015 . 0 0 "[ . 1 . 2]" 3 506 1 10 ASN HA 1 27 VAL QG 8.320 . 8.820 4.269 4.057 4.459 . 0 0 "[ . 1 . 2]" 3 507 1 11 GLU QB 1 27 VAL QG 7.280 . 7.780 3.468 3.160 3.553 . 0 0 "[ . 1 . 2]" 3 508 1 13 VAL HB 1 27 VAL QG 7.410 . 7.910 3.594 3.547 3.638 . 0 0 "[ . 1 . 2]" 3 509 1 27 VAL QG 1 29 ALA MB 9.340 . 9.840 3.770 3.728 3.839 . 0 0 "[ . 1 . 2]" 3 510 1 13 VAL QG 1 27 VAL QG 7.140 . 7.640 1.689 1.677 1.706 0.123 9 0 "[ . 1 . 2]" 3 511 1 7 PHE QB 1 27 VAL QG 7.640 . 8.140 3.298 3.082 3.422 . 0 0 "[ . 1 . 2]" 3 512 1 28 THR MG 1 38 VAL QG 8.750 . 9.250 2.319 2.160 2.609 . 0 0 "[ . 1 . 2]" 3 513 1 48 VAL QG 1 53 VAL QG . . 6.860 1.959 1.916 1.997 . 0 0 "[ . 1 . 2]" 3 514 1 28 THR MG 1 39 LYS QD 4.720 . 5.220 2.996 2.932 3.051 . 0 0 "[ . 1 . 2]" 3 515 1 46 GLN QB 1 48 VAL QG 6.810 . 7.310 2.598 2.314 3.022 . 0 0 "[ . 1 . 2]" 3 516 1 16 SER QB 1 28 THR MG 8.750 . 9.250 3.343 2.978 3.553 . 0 0 "[ . 1 . 2]" 3 517 1 48 VAL QG 1 52 HIS QB 8.320 . 8.820 2.632 2.449 2.717 . 0 0 "[ . 1 . 2]" 3 518 1 17 TRP HA 1 28 THR MG 7.790 . 8.290 2.927 2.840 3.135 . 0 0 "[ . 1 . 2]" 3 519 1 40 PHE HZ 1 48 VAL QG 7.410 . 7.910 4.564 4.015 4.909 . 0 0 "[ . 1 . 2]" 3 520 1 28 THR MG 1 39 LYS H 5.400 . 5.900 2.686 2.618 2.773 . 0 0 "[ . 1 . 2]" 3 521 1 48 VAL QG 1 49 LYS H 6.070 . 6.570 3.100 3.073 3.134 . 0 0 "[ . 1 . 2]" 3 522 1 28 THR MG 1 39 LYS QB 4.720 . 5.220 2.059 2.031 2.103 . 0 0 "[ . 1 . 2]" 3 523 1 10 ASN H 1 28 THR HB 7.500 . 8.000 5.920 5.747 6.095 . 0 0 "[ . 1 . 2]" 3 524 1 28 THR HB 1 39 LYS H 5.500 . 6.000 5.543 5.510 5.562 . 0 0 "[ . 1 . 2]" 3 525 1 28 THR HB 1 29 ALA H 5.500 . 6.000 3.934 3.892 3.977 . 0 0 "[ . 1 . 2]" 3 526 1 9 ILE QG 1 28 THR HB 7.780 . 8.280 4.847 4.770 4.932 . 0 0 "[ . 1 . 2]" 3 527 1 28 THR HB 1 29 ALA MB 7.410 . 7.910 4.087 4.042 4.136 . 0 0 "[ . 1 . 2]" 3 528 1 26 LYS QB 1 28 THR HB 9.450 . 9.950 6.659 6.433 7.425 . 0 0 "[ . 1 . 2]" 3 529 1 9 ILE MD 1 28 THR HB 7.410 . 7.910 4.350 4.167 4.489 . 0 0 "[ . 1 . 2]" 3 530 1 27 VAL HA 1 28 THR HB 6.170 . 6.670 4.015 3.914 4.191 . 0 0 "[ . 1 . 2]" 3 531 1 10 ASN H 1 28 THR HA 5.500 . 6.000 3.425 3.279 3.578 . 0 0 "[ . 1 . 2]" 3 532 1 28 THR HA 1 37 THR H 7.500 . 8.000 6.423 6.367 6.513 . 0 0 "[ . 1 . 2]" 3 533 1 28 THR HA 1 39 LYS H 5.500 . 6.000 5.505 5.439 5.520 . 0 0 "[ . 1 . 2]" 3 534 1 27 VAL H 1 28 THR HA 5.500 . 6.000 5.425 5.359 5.476 . 0 0 "[ . 1 . 2]" 3 535 1 11 GLU H 1 28 THR HA 7.500 . 8.000 5.981 5.814 6.123 . 0 0 "[ . 1 . 2]" 3 536 1 28 THR HA 1 29 ALA H 5.500 . 6.000 3.601 3.586 3.613 . 0 0 "[ . 1 . 2]" 3 537 1 28 THR HA 1 29 ALA HA 5.500 . 6.000 4.533 4.503 4.553 . 0 0 "[ . 1 . 2]" 3 538 1 27 VAL HA 1 28 THR HA 5.500 . 6.000 4.483 4.476 4.496 . 0 0 "[ . 1 . 2]" 3 539 1 9 ILE HA 1 28 THR HA 5.500 . 6.000 4.209 3.784 4.463 . 0 0 "[ . 1 . 2]" 3 540 1 10 ASN QB 1 28 THR HA 8.420 . 8.920 5.683 5.458 5.905 . 0 0 "[ . 1 . 2]" 3 541 1 26 LYS QE 1 28 THR HA 6.930 . 7.430 5.021 4.243 5.882 . 0 0 "[ . 1 . 2]" 3 542 1 9 ILE HB 1 28 THR HA 7.500 . 8.000 5.694 5.370 5.925 . 0 0 "[ . 1 . 2]" 3 543 1 9 ILE QG 1 28 THR HA 7.410 . 7.910 4.242 3.871 4.481 . 0 0 "[ . 1 . 2]" 3 544 1 28 THR HA 1 29 ALA MB 7.410 . 7.910 4.493 4.471 4.511 . 0 0 "[ . 1 . 2]" 3 545 1 26 LYS QG 1 28 THR HA 6.930 . 7.430 4.302 3.959 5.077 . 0 0 "[ . 1 . 2]" 3 546 1 28 THR H 1 29 ALA MB 6.610 . 7.110 4.418 4.357 4.454 . 0 0 "[ . 1 . 2]" 3 547 1 29 ALA MB 1 37 THR H 5.400 . 5.900 3.442 3.275 3.622 . 0 0 "[ . 1 . 2]" 3 548 1 29 ALA MB 1 30 VAL H 4.200 . 4.700 2.426 2.337 2.557 . 0 0 "[ . 1 . 2]" 3 549 1 29 ALA MB 1 36 TYR HA 6.610 . 7.110 4.442 4.308 4.651 . 0 0 "[ . 1 . 2]" 3 550 1 29 ALA MB 1 37 THR HB 4.200 . 4.700 2.247 2.135 2.314 . 0 0 "[ . 1 . 2]" 3 551 1 29 ALA MB 1 37 THR MG 5.050 . 5.550 3.340 3.241 3.384 . 0 0 "[ . 1 . 2]" 3 552 1 9 ILE MD 1 29 ALA MB 8.180 . 8.680 3.100 3.033 3.213 . 0 0 "[ . 1 . 2]" 3 553 1 63 VAL HA 1 64 GLY H 4.500 . 5.000 3.467 2.444 3.662 . 0 0 "[ . 1 . 2]" 3 554 1 63 VAL HA 1 66 ALA HA 5.500 . 6.000 4.658 4.137 5.261 . 0 0 "[ . 1 . 2]" 3 555 1 62 ILE HB 1 63 VAL HA 5.500 . 6.000 4.958 4.237 5.523 . 0 0 "[ . 1 . 2]" 3 556 1 63 VAL HA 1 66 ALA MB 6.610 . 7.110 4.168 2.530 5.532 . 0 0 "[ . 1 . 2]" 3 557 1 30 VAL MG2 1 31 ASN H 5.400 . 5.900 4.177 4.105 4.265 . 0 0 "[ . 1 . 2]" 3 558 1 30 VAL MG2 1 36 TYR QD 6.490 . 6.990 2.705 2.549 2.907 . 0 0 "[ . 1 . 2]" 3 559 1 30 VAL HA 1 31 ASN HA 5.500 . 6.000 4.523 4.508 4.554 . 0 0 "[ . 1 . 2]" 3 560 1 30 VAL QG 1 31 ASN HA 7.410 . 7.910 3.973 3.843 4.060 . 0 0 "[ . 1 . 2]" 3 561 1 31 ASN QB 1 36 TYR H 6.930 . 7.430 4.473 4.312 4.983 . 0 0 "[ . 1 . 2]" 3 562 1 31 ASN QB 1 33 ASP H 6.170 . 6.670 2.948 2.775 3.061 . 0 0 "[ . 1 . 2]" 3 563 1 31 ASN QB 1 35 THR HA 6.170 . 6.670 4.336 4.235 4.726 . 0 0 "[ . 1 . 2]" 3 564 1 30 VAL HA 1 31 ASN QB 6.170 . 6.670 4.377 4.301 4.518 . 0 0 "[ . 1 . 2]" 3 565 1 31 ASN QB 1 47 THR MG 7.410 . 7.910 4.820 4.728 4.871 . 0 0 "[ . 1 . 2]" 3 566 1 31 ASN H 1 32 LYS HA 6.170 . 6.670 3.514 3.408 3.593 . 0 0 "[ . 1 . 2]" 3 567 1 32 LYS HA 1 33 ASP H 5.500 . 6.000 3.499 3.465 3.524 . 0 0 "[ . 1 . 2]" 3 568 1 30 VAL QG 1 32 LYS HA 7.410 . 7.910 4.122 3.863 4.431 . 0 0 "[ . 1 . 2]" 3 569 1 32 LYS HA 1 33 ASP QB 6.170 . 6.670 5.080 5.026 5.129 . 0 0 "[ . 1 . 2]" 3 570 1 32 LYS QB 1 33 ASP H 6.170 . 6.670 3.032 2.921 3.169 . 0 0 "[ . 1 . 2]" 3 571 1 24 PRO QB 1 32 LYS QD 7.280 . 7.780 3.835 2.415 4.836 . 0 0 "[ . 1 . 2]" 3 572 1 24 PRO QB 1 80 LYS QD 8.730 . 9.230 3.864 2.415 4.974 . 0 0 "[ . 1 . 2]" 3 573 1 58 LYS QD 1 59 ASP QB 7.780 . 8.280 5.084 4.297 5.959 . 0 0 "[ . 1 . 2]" 3 574 1 32 LYS QE 1 65 ASN HA 6.170 . 6.670 5.496 5.359 5.527 . 0 0 "[ . 1 . 2]" 3 575 1 36 TYR QB 1 49 LYS HA 6.170 . 6.670 4.096 4.020 4.164 . 0 0 "[ . 1 . 2]" 3 576 1 58 LYS QE 1 71 ALA HA 6.930 . 7.430 5.916 5.075 6.231 . 0 0 "[ . 1 . 2]" 3 577 1 58 LYS QE 1 73 SER QB 6.930 . 7.430 4.492 2.857 5.521 . 0 0 "[ . 1 . 2]" 3 578 1 32 LYS HA 1 32 LYS QE 5.050 . 5.550 3.909 2.666 4.525 . 0 0 "[ . 1 . 2]" 3 579 1 24 PRO QD 1 79 LYS QE 10.300 . 10.800 4.068 3.526 4.997 . 0 0 "[ . 1 . 2]" 3 580 1 78 SER QB 1 79 LYS QE 7.780 . 8.280 4.812 3.648 6.179 . 0 0 "[ . 1 . 2]" 3 581 1 33 ASP HA 1 34 GLY H 5.500 . 6.000 3.535 3.510 3.550 . 0 0 "[ . 1 . 2]" 3 582 1 33 ASP HA 1 35 THR H 5.500 . 6.000 5.295 5.111 5.392 . 0 0 "[ . 1 . 2]" 3 583 1 32 LYS HA 1 33 ASP HA 5.400 . 5.900 4.038 4.029 4.046 . 0 0 "[ . 1 . 2]" 3 584 1 33 ASP HA 1 34 GLY QA 6.170 . 6.670 4.284 4.266 4.304 . 0 0 "[ . 1 . 2]" 3 585 1 32 LYS QB 1 33 ASP HA 6.170 . 6.670 4.420 4.327 4.542 . 0 0 "[ . 1 . 2]" 3 586 1 32 LYS QG 1 33 ASP HA 6.930 . 7.430 4.381 4.085 5.246 . 0 0 "[ . 1 . 2]" 3 587 1 33 ASP HA 1 35 THR MG 6.610 . 7.110 5.514 5.433 5.541 . 0 0 "[ . 1 . 2]" 3 588 1 34 GLY QA 1 35 THR H 6.170 . 6.670 2.918 2.895 2.951 . 0 0 "[ . 1 . 2]" 3 589 1 34 GLY QA 1 36 TYR HD2 . . 9.950 5.036 4.923 5.482 . 0 0 "[ . 1 . 2]" 3 590 1 34 GLY QA 1 35 THR HA 6.170 . 6.670 4.075 4.064 4.088 . 0 0 "[ . 1 . 2]" 3 591 1 34 GLY QA 1 49 LYS HA 6.170 . 6.670 4.904 4.817 5.006 . 0 0 "[ . 1 . 2]" 3 592 1 34 GLY QA 1 50 HIS QB 6.930 . 7.430 3.119 2.898 3.492 . 0 0 "[ . 1 . 2]" 3 593 1 31 ASN QB 1 34 GLY QA 6.930 . 7.430 4.656 4.584 4.779 . 0 0 "[ . 1 . 2]" 3 594 1 33 ASP QB 1 34 GLY QA 6.930 . 7.430 4.223 4.205 4.240 . 0 0 "[ . 1 . 2]" 3 595 1 34 GLY QA 1 35 THR MG 7.410 . 7.910 3.412 3.323 3.568 . 0 0 "[ . 1 . 2]" 3 596 1 35 THR HB 1 48 VAL QG 7.410 . 7.910 4.894 4.845 4.970 . 0 0 "[ . 1 . 2]" 3 597 1 35 THR HB 1 47 THR MG 4.200 . 4.700 2.903 2.632 3.008 . 0 0 "[ . 1 . 2]" 3 598 1 35 THR HB 1 36 TYR QB 6.610 . 7.110 4.350 4.288 4.422 . 0 0 "[ . 1 . 2]" 3 599 1 35 THR HB 1 36 TYR QB 6.170 . 6.670 4.434 4.366 4.499 . 0 0 "[ . 1 . 2]" 3 600 1 35 THR HB 1 47 THR HB 5.500 . 6.000 5.462 5.297 5.514 . 0 0 "[ . 1 . 2]" 3 601 1 35 THR HB 1 49 LYS HA 5.500 . 6.000 3.524 3.356 3.803 . 0 0 "[ . 1 . 2]" 3 602 1 35 THR HB 1 37 THR HA 7.500 . 8.000 6.126 6.021 6.185 . 0 0 "[ . 1 . 2]" 3 603 1 35 THR HB 1 47 THR HA 5.500 . 6.000 5.192 5.069 5.269 . 0 0 "[ . 1 . 2]" 3 604 1 31 ASN QD 1 35 THR HB 6.170 . 6.670 2.897 2.720 3.012 . 0 0 "[ . 1 . 2]" 3 605 1 35 THR HB 1 36 TYR QD 8.420 . 8.920 5.504 5.251 6.196 . 0 0 "[ . 1 . 2]" 3 606 1 35 THR HB 1 50 HIS H 7.500 . 8.000 5.283 5.117 5.683 . 0 0 "[ . 1 . 2]" 3 607 1 35 THR HB 1 36 TYR H 3.500 . 4.000 2.259 2.206 2.329 . 0 0 "[ . 1 . 2]" 3 608 1 35 THR HB 1 48 VAL H 5.500 . 6.000 3.817 3.755 3.918 . 0 0 "[ . 1 . 2]" 3 609 1 35 THR MG 1 36 TYR H 6.070 . 6.570 3.500 3.371 3.564 . 0 0 "[ . 1 . 2]" 3 610 1 35 THR MG 1 50 HIS H 6.610 . 7.110 3.712 3.556 3.942 . 0 0 "[ . 1 . 2]" 3 611 1 34 GLY H 1 35 THR MG 6.610 . 7.110 3.826 3.692 4.079 . 0 0 "[ . 1 . 2]" 3 612 1 35 THR MG 1 49 LYS HA 4.200 . 4.700 2.349 2.264 2.526 . 0 0 "[ . 1 . 2]" 3 613 1 35 THR MG 1 36 TYR QB 7.410 . 7.910 4.959 4.860 5.030 . 0 0 "[ . 1 . 2]" 3 614 1 35 THR MG 1 49 LYS QD 6.810 . 7.310 2.282 2.209 2.620 . 0 0 "[ . 1 . 2]" 3 615 1 35 THR MG 1 49 LYS QG 6.070 . 6.570 2.295 2.222 2.640 . 0 0 "[ . 1 . 2]" 3 616 1 35 THR HA 1 36 TYR H 4.500 . 5.000 2.440 2.362 2.469 . 0 0 "[ . 1 . 2]" 3 617 1 35 THR HA 1 50 HIS H 5.500 . 6.000 3.004 2.825 3.317 . 0 0 "[ . 1 . 2]" 3 618 1 35 THR HA 1 49 LYS HA 4.500 . 5.000 2.154 2.114 2.218 . 0 0 "[ . 1 . 2]" 3 619 1 35 THR HA 1 36 TYR QD 8.420 . 8.920 3.736 3.383 4.948 . 0 0 "[ . 1 . 2]" 3 620 1 36 TYR HA 1 48 VAL H 5.500 . 6.000 4.804 4.761 4.838 . 0 0 "[ . 1 . 2]" 3 621 1 30 VAL H 1 36 TYR HA 5.500 . 6.000 4.863 4.783 4.950 . 0 0 "[ . 1 . 2]" 3 622 1 29 ALA H 1 36 TYR HA 5.500 . 6.000 4.898 4.832 5.044 . 0 0 "[ . 1 . 2]" 3 623 1 31 ASN H 1 36 TYR HA 4.500 . 5.000 3.371 3.146 3.663 . 0 0 "[ . 1 . 2]" 3 624 1 31 ASN QD 1 36 TYR HA 6.610 . 7.110 3.882 3.677 4.103 . 0 0 "[ . 1 . 2]" 3 625 1 36 TYR HA 1 36 TYR HD1 4.500 . 5.000 3.055 2.947 3.258 . 0 0 "[ . 1 . 2]" 3 626 1 31 ASN QD 1 36 TYR HA 6.170 . 6.670 4.034 3.776 4.321 . 0 0 "[ . 1 . 2]" 3 627 1 29 ALA HA 1 36 TYR HA 6.170 . 6.670 5.297 5.254 5.336 . 0 0 "[ . 1 . 2]" 3 628 1 30 VAL HA 1 36 TYR HA 4.500 . 5.000 2.328 2.221 2.425 . 0 0 "[ . 1 . 2]" 3 629 1 36 TYR HA 1 37 THR HB 5.500 . 6.000 4.927 4.849 4.974 . 0 0 "[ . 1 . 2]" 3 630 1 29 ALA MB 1 36 TYR HA 6.930 . 7.430 4.417 4.288 4.615 . 0 0 "[ . 1 . 2]" 3 631 1 9 ILE QG 1 36 TYR HA 8.200 . 8.700 4.321 4.193 4.419 . 0 0 "[ . 1 . 2]" 3 632 1 27 VAL QG 1 36 TYR HA 7.410 . 7.910 4.401 4.171 4.785 . 0 0 "[ . 1 . 2]" 3 633 1 30 VAL QG 1 36 TYR HA 7.410 . 7.910 3.233 2.907 3.423 . 0 0 "[ . 1 . 2]" 3 634 1 36 TYR HA 1 53 VAL QG 7.410 . 7.910 4.367 4.304 4.458 . 0 0 "[ . 1 . 2]" 3 635 1 36 TYR HA 1 38 VAL QG 7.410 . 7.910 4.387 4.250 4.687 . 0 0 "[ . 1 . 2]" 3 636 1 36 TYR QB 1 48 VAL H 6.170 . 6.670 3.406 3.322 3.512 . 0 0 "[ . 1 . 2]" 3 637 1 31 ASN H 1 36 TYR QB 6.930 . 7.430 5.011 4.510 5.245 . 0 0 "[ . 1 . 2]" 3 638 1 35 THR HA 1 36 TYR QB 6.170 . 6.670 3.544 3.391 3.616 . 0 0 "[ . 1 . 2]" 3 639 1 34 GLY QA 1 36 TYR QB 7.410 . 7.910 4.350 4.298 4.393 . 0 0 "[ . 1 . 2]" 3 640 1 30 VAL HA 1 36 TYR QB 6.170 . 6.670 4.417 4.346 4.478 . 0 0 "[ . 1 . 2]" 3 641 1 36 TYR QB 1 48 VAL QG 8.320 . 8.820 2.353 2.172 2.578 . 0 0 "[ . 1 . 2]" 3 642 1 30 VAL QG 1 36 TYR QB 7.640 . 8.140 2.338 2.162 2.553 . 0 0 "[ . 1 . 2]" 3 643 1 36 TYR QB 1 53 VAL QG 8.320 . 8.820 2.207 2.155 2.299 . 0 0 "[ . 1 . 2]" 3 644 1 36 TYR QB 1 38 VAL QG 6.810 . 7.310 2.637 2.483 3.381 . 0 0 "[ . 1 . 2]" 3 645 1 13 VAL QG 1 36 TYR QB 9.340 . 9.840 2.619 2.468 3.334 . 0 0 "[ . 1 . 2]" 3 646 1 37 THR HA 1 48 VAL H 4.500 . 5.000 3.457 3.408 3.533 . 0 0 "[ . 1 . 2]" 3 647 1 37 THR HA 1 38 VAL H 3.500 . 4.000 2.234 2.212 2.249 . 0 0 "[ . 1 . 2]" 3 648 1 37 THR HA 1 47 THR H 5.500 . 6.000 4.752 4.639 4.802 . 0 0 "[ . 1 . 2]" 3 649 1 29 ALA H 1 37 THR HA 5.500 . 6.000 4.529 4.474 4.578 . 0 0 "[ . 1 . 2]" 3 650 1 31 ASN QD 1 37 THR HA 6.930 . 7.430 5.023 4.731 5.450 . 0 0 "[ . 1 . 2]" 3 651 1 37 THR HA 1 47 THR HA . . 4.000 2.245 2.166 2.290 . 0 0 "[ . 1 . 2]" 3 652 1 35 THR HA 1 37 THR HA 6.170 . 6.670 5.289 5.170 5.334 . 0 0 "[ . 1 . 2]" 3 653 1 37 THR HA 1 47 THR HB 5.500 . 6.000 5.129 4.892 5.199 . 0 0 "[ . 1 . 2]" 3 654 1 29 ALA MB 1 37 THR HA 6.930 . 7.430 4.383 4.315 4.462 . 0 0 "[ . 1 . 2]" 3 655 1 37 THR HA 1 48 VAL QG 7.410 . 7.910 3.373 3.138 3.478 . 0 0 "[ . 1 . 2]" 3 656 1 37 THR HA 1 45 VAL MG1 6.610 . 7.110 4.617 4.486 4.746 . 0 0 "[ . 1 . 2]" 3 657 1 37 THR HA 1 38 VAL QG . . 6.570 3.185 3.103 3.247 . 0 0 "[ . 1 . 2]" 3 658 1 28 THR H 1 37 THR HB 5.500 . 6.000 3.690 3.600 3.771 . 0 0 "[ . 1 . 2]" 3 659 1 37 THR HB 1 38 VAL H 5.500 . 6.000 3.969 3.899 4.058 . 0 0 "[ . 1 . 2]" 3 660 1 30 VAL H 1 37 THR HB 5.500 . 6.000 5.341 5.168 5.479 . 0 0 "[ . 1 . 2]" 3 661 1 29 ALA H 1 37 THR HB 4.500 . 5.000 2.458 2.389 2.526 . 0 0 "[ . 1 . 2]" 3 662 1 31 ASN QD 1 37 THR HB 6.170 . 6.670 4.885 4.583 5.069 . 0 0 "[ . 1 . 2]" 3 663 1 37 THR HB 1 47 THR HA 5.500 . 6.000 4.747 4.660 4.833 . 0 0 "[ . 1 . 2]" 3 664 1 28 THR HA 1 37 THR HB 5.500 . 6.000 5.132 5.035 5.291 . 0 0 "[ . 1 . 2]" 3 665 1 29 ALA HA 1 37 THR HB 5.500 . 6.000 4.320 4.250 4.399 . 0 0 "[ . 1 . 2]" 3 666 1 28 THR HB 1 37 THR HB 5.500 . 6.000 4.098 3.983 4.306 . 0 0 "[ . 1 . 2]" 3 667 1 30 VAL HA 1 37 THR HB 5.500 . 6.000 5.491 5.268 5.545 . 0 0 "[ . 1 . 2]" 3 668 1 37 THR HB 1 45 VAL MG1 6.610 . 7.110 4.731 4.576 4.833 . 0 0 "[ . 1 . 2]" 3 669 1 37 THR HB 1 38 VAL QG 7.410 . 7.910 4.558 4.520 4.603 . 0 0 "[ . 1 . 2]" 3 670 1 28 THR H 1 37 THR MG 6.610 . 7.110 4.223 4.073 4.277 . 0 0 "[ . 1 . 2]" 3 671 1 37 THR MG 1 38 VAL H 5.400 . 5.900 2.588 2.497 2.682 . 0 0 "[ . 1 . 2]" 3 672 1 26 LYS H 1 28 THR MG 7.790 . 8.290 3.675 3.592 3.712 . 0 0 "[ . 1 . 2]" 3 673 1 37 THR MG 1 38 VAL HA 6.070 . 6.570 3.881 3.756 3.963 . 0 0 "[ . 1 . 2]" 3 674 1 37 THR MG 1 45 VAL HB 6.610 . 7.110 4.969 4.763 5.092 . 0 0 "[ . 1 . 2]" 3 675 1 29 ALA MB 1 37 THR MG 6.810 . 7.310 3.317 3.222 3.358 . 0 0 "[ . 1 . 2]" 3 676 1 37 THR MG 1 45 VAL MG1 4.040 . 4.540 2.580 2.462 2.678 . 0 0 "[ . 1 . 2]" 3 677 1 28 THR H 1 38 VAL HA 4.500 . 5.000 2.384 2.300 2.510 . 0 0 "[ . 1 . 2]" 3 678 1 13 VAL H 1 38 VAL HA 6.610 . 7.110 4.276 4.233 4.339 . 0 0 "[ . 1 . 2]" 3 679 1 38 VAL HA 1 39 LYS H 3.500 . 4.000 2.267 2.216 2.310 . 0 0 "[ . 1 . 2]" 3 680 1 27 VAL H 1 38 VAL HA 5.500 . 6.000 4.915 4.866 4.962 . 0 0 "[ . 1 . 2]" 3 681 1 26 LYS H 1 38 VAL HA 5.050 . 5.550 3.823 3.778 3.890 . 0 0 "[ . 1 . 2]" 3 682 1 37 THR HA 1 38 VAL HA 5.050 . 5.550 3.994 3.982 4.003 . 0 0 "[ . 1 . 2]" 3 683 1 27 VAL HB 1 38 VAL HA 5.500 . 6.000 5.512 5.442 5.540 . 0 0 "[ . 1 . 2]" 3 684 1 9 ILE QG 1 38 VAL HA 10.610 . 11.110 5.382 5.307 5.527 . 0 0 "[ . 1 . 2]" 3 685 1 28 THR MG 1 38 VAL HA 6.360 . 6.860 2.902 2.814 3.093 . 0 0 "[ . 1 . 2]" 3 686 1 27 VAL QG 1 38 VAL HA 7.410 . 7.910 3.859 3.830 3.898 . 0 0 "[ . 1 . 2]" 3 687 1 25 ALA MB 1 38 VAL HA 6.490 . 6.990 3.563 3.507 3.610 . 0 0 "[ . 1 . 2]" 3 688 1 28 THR H 1 38 VAL HB 6.170 . 6.670 4.365 4.286 4.429 . 0 0 "[ . 1 . 2]" 3 689 1 13 VAL H 1 38 VAL HB 6.610 . 7.110 4.771 4.710 4.834 . 0 0 "[ . 1 . 2]" 3 690 1 38 VAL HB 1 39 LYS H 4.500 . 5.000 2.649 2.497 2.822 . 0 0 "[ . 1 . 2]" 3 691 1 26 LYS H 1 38 VAL HB 6.170 . 6.670 3.854 3.667 4.121 . 0 0 "[ . 1 . 2]" 3 692 1 25 ALA HA 1 38 VAL HB 7.500 . 8.000 4.832 4.724 4.910 . 0 0 "[ . 1 . 2]" 3 693 1 38 VAL HB 1 39 LYS HA 5.500 . 6.000 4.481 4.399 4.555 . 0 0 "[ . 1 . 2]" 3 694 1 27 VAL QG 1 38 VAL HB 7.410 . 7.910 4.539 4.435 4.672 . 0 0 "[ . 1 . 2]" 3 695 1 28 THR H 1 38 VAL QG 7.640 . 8.140 3.198 3.132 3.291 . 0 0 "[ . 1 . 2]" 3 696 1 38 VAL QG 1 48 VAL H 7.410 . 7.910 4.299 4.163 4.516 . 0 0 "[ . 1 . 2]" 3 697 1 36 TYR H 1 38 VAL QG 7.640 . 8.140 3.332 3.262 3.491 . 0 0 "[ . 1 . 2]" 3 698 1 38 VAL QG 1 39 LYS H 6.070 . 6.570 3.313 3.234 3.356 . 0 0 "[ . 1 . 2]" 3 699 1 27 VAL H 1 38 VAL QG 7.410 . 7.910 4.180 4.043 4.327 . 0 0 "[ . 1 . 2]" 3 700 1 26 LYS H 1 38 VAL QG . . 8.820 3.771 3.712 3.858 . 0 0 "[ . 1 . 2]" 3 701 1 36 TYR HE1 1 38 VAL QG . . 8.820 3.339 2.561 3.656 . 0 0 "[ . 1 . 2]" 3 702 1 36 TYR QD 1 38 VAL QG . . 9.400 2.685 2.192 2.986 . 0 0 "[ . 1 . 2]" 3 703 1 15 ALA HA 1 38 VAL QG 7.410 . 7.910 3.906 3.831 4.020 . 0 0 "[ . 1 . 2]" 3 704 1 14 LEU HA 1 38 VAL QG . . 8.820 4.312 4.156 4.443 . 0 0 "[ . 1 . 2]" 3 705 1 25 ALA HA 1 38 VAL QG 9.340 . 9.840 4.374 4.323 4.444 . 0 0 "[ . 1 . 2]" 3 706 1 13 VAL HA 1 38 VAL QG 7.410 . 7.910 5.524 5.511 5.538 . 0 0 "[ . 1 . 2]" 3 707 1 28 THR MG 1 38 VAL QG . . 7.640 2.301 2.150 2.571 . 0 0 "[ . 1 . 2]" 3 708 1 38 VAL QG 1 48 VAL QG 6.360 . 6.860 2.330 2.167 2.637 . 0 0 "[ . 1 . 2]" 3 709 1 25 ALA MB 1 38 VAL QG . . 5.940 2.379 2.325 2.420 . 0 0 "[ . 1 . 2]" 3 710 1 38 VAL QG 1 53 VAL QG 8.180 . 8.680 2.079 1.920 2.231 . 0 0 "[ . 1 . 2]" 3 711 1 13 VAL H 1 38 VAL QG 5.300 . 5.800 3.153 3.092 3.224 . 0 0 "[ . 1 . 2]" 3 712 1 14 LEU H 1 38 VAL QG 7.410 . 7.910 5.243 5.047 5.357 . 0 0 "[ . 1 . 2]" 3 713 1 38 VAL QG 1 47 THR HA 7.410 . 7.910 4.148 3.909 4.280 . 0 0 "[ . 1 . 2]" 3 714 1 38 VAL QG 1 46 GLN QG 8.320 . 8.820 2.256 2.133 2.585 . 0 0 "[ . 1 . 2]" 3 715 1 38 VAL QG 1 46 GLN QB 6.810 . 7.310 4.014 3.909 4.273 . 0 0 "[ . 1 . 2]" 3 716 1 13 VAL HB 1 38 VAL QG 5.670 . 6.170 3.454 3.353 3.545 . 0 0 "[ . 1 . 2]" 3 717 1 39 LYS HA 1 40 PHE H 3.500 . 4.000 2.176 2.154 2.217 . 0 0 "[ . 1 . 2]" 3 718 1 39 LYS HA 1 46 GLN H 5.500 . 6.000 3.889 3.786 4.001 . 0 0 "[ . 1 . 2]" 3 719 1 39 LYS HA 1 45 VAL H 5.500 . 6.000 4.769 4.739 4.800 . 0 0 "[ . 1 . 2]" 3 720 1 39 LYS HA 1 40 PHE QD 6.170 . 6.670 4.212 3.667 4.586 . 0 0 "[ . 1 . 2]" 3 721 1 39 LYS HA 1 45 VAL HA 4.500 . 5.000 2.269 2.202 2.343 . 0 0 "[ . 1 . 2]" 3 722 1 39 LYS HA 1 40 PHE HA 5.500 . 6.000 4.490 4.475 4.502 . 0 0 "[ . 1 . 2]" 3 723 1 39 LYS HA 1 40 PHE QB 6.170 . 6.670 4.366 4.298 4.474 . 0 0 "[ . 1 . 2]" 3 724 1 39 LYS HA 1 45 VAL HB 5.500 . 6.000 4.799 4.721 4.924 . 0 0 "[ . 1 . 2]" 3 725 1 39 LYS HA 1 45 VAL MG2 5.400 . 5.900 2.550 2.411 2.719 . 0 0 "[ . 1 . 2]" 3 726 1 39 LYS HA 1 45 VAL MG1 5.400 . 5.900 3.215 3.007 3.382 . 0 0 "[ . 1 . 2]" 3 727 1 25 ALA MB 1 39 LYS HA 5.400 . 5.900 4.446 4.336 4.509 . 0 0 "[ . 1 . 2]" 3 728 1 38 VAL QG 1 39 LYS HA 7.410 . 7.910 3.903 3.738 4.113 . 0 0 "[ . 1 . 2]" 3 729 1 28 THR H 1 39 LYS QB . . 7.430 3.696 3.662 3.731 . 0 0 "[ . 1 . 2]" 3 730 1 26 LYS H 1 39 LYS QB . . 7.430 3.663 3.565 3.748 . 0 0 "[ . 1 . 2]" 3 731 1 26 LYS HA 1 39 LYS QB 8.900 . 9.400 3.385 3.331 3.436 . 0 0 "[ . 1 . 2]" 3 732 1 38 VAL HA 1 39 LYS QB 6.930 . 7.430 3.427 3.371 3.489 . 0 0 "[ . 1 . 2]" 3 733 1 26 LYS QG 1 39 LYS QB 8.730 . 9.230 3.582 2.660 3.874 . 0 0 "[ . 1 . 2]" 3 734 1 39 LYS QB 1 45 VAL MG2 6.070 . 6.570 2.329 2.298 2.364 . 0 0 "[ . 1 . 2]" 3 735 1 39 LYS QB 1 45 VAL MG1 7.410 . 7.910 2.995 2.822 3.099 . 0 0 "[ . 1 . 2]" 3 736 1 54 LYS QG 1 55 ALA H 6.930 . 7.430 3.427 3.207 3.619 . 0 0 "[ . 1 . 2]" 3 737 1 22 PHE HE1 1 54 LYS QG 8.320 . 8.820 3.787 3.193 4.898 . 0 0 "[ . 1 . 2]" 3 738 1 14 LEU QD 1 54 LYS QG 9.820 . 10.320 2.876 2.508 3.147 . 0 0 "[ . 1 . 2]" 3 739 1 39 LYS QD 1 41 TYR HD1 8.420 . 8.920 6.034 5.542 6.980 . 0 0 "[ . 1 . 2]" 3 740 1 39 LYS QD 1 42 ASP H 8.420 . 8.920 7.316 7.124 7.469 . 0 0 "[ . 1 . 2]" 3 741 1 25 ALA HA 1 39 LYS QD 8.420 . 8.920 7.106 6.928 7.297 . 0 0 "[ . 1 . 2]" 3 742 1 25 ALA MB 1 39 LYS QD 10.110 . 10.610 6.268 6.188 6.365 . 0 0 "[ . 1 . 2]" 3 743 1 39 LYS QE 1 43 GLY QA 6.360 . 6.860 2.577 2.377 2.727 . 0 0 "[ . 1 . 2]" 3 744 1 25 ALA H 1 40 PHE HA 5.500 . 6.000 5.423 5.258 5.538 . 0 0 "[ . 1 . 2]" 3 745 1 40 PHE HA 1 41 TYR H 4.500 . 5.000 2.304 2.248 2.357 . 0 0 "[ . 1 . 2]" 3 746 1 26 LYS H 1 40 PHE HA 5.500 . 6.000 3.501 3.381 3.648 . 0 0 "[ . 1 . 2]" 3 747 1 25 ALA MB 1 40 PHE HA 5.400 . 5.900 2.816 2.611 2.938 . 0 0 "[ . 1 . 2]" 3 748 1 40 PHE HA 1 42 ASP H 5.500 . 6.000 4.254 4.156 4.344 . 0 0 "[ . 1 . 2]" 3 749 1 41 TYR HA 1 43 GLY H 5.500 . 6.000 3.732 3.538 3.875 . 0 0 "[ . 1 . 2]" 3 750 1 41 TYR HA 1 42 ASP H 5.500 . 6.000 3.515 3.492 3.549 . 0 0 "[ . 1 . 2]" 3 751 1 40 PHE HA 1 41 TYR HA 5.500 . 6.000 4.283 4.232 4.345 . 0 0 "[ . 1 . 2]" 3 752 1 25 ALA MB 1 41 TYR HA 9.010 . 9.510 6.092 5.893 6.227 . 0 0 "[ . 1 . 2]" 3 753 1 41 TYR QB 1 42 ASP H 6.930 . 7.430 2.957 2.799 3.052 . 0 0 "[ . 1 . 2]" 3 754 1 40 PHE HA 1 41 TYR QB 6.930 . 7.430 4.708 4.660 4.759 . 0 0 "[ . 1 . 2]" 3 755 1 24 PRO QG 1 41 TYR QB 9.990 . 10.490 4.072 3.950 4.138 . 0 0 "[ . 1 . 2]" 3 756 1 42 ASP HA 1 43 GLY H 4.500 . 5.000 3.513 3.476 3.547 . 0 0 "[ . 1 . 2]" 3 757 1 63 VAL QG 1 66 ALA HA 7.410 . 7.910 5.315 4.783 5.569 . 0 0 "[ . 1 . 2]" 3 758 1 51 ILE HB 1 52 HIS HD2 5.500 . 6.000 4.104 4.016 4.335 . 0 0 "[ . 1 . 2]" 3 759 1 51 ILE HB 1 52 HIS H 5.500 . 6.000 4.270 4.202 4.318 . 0 0 "[ . 1 . 2]" 3 760 1 42 ASP H 1 43 GLY QA 6.170 . 6.670 4.626 4.606 4.648 . 0 0 "[ . 1 . 2]" 3 761 1 43 GLY QA 1 44 VAL H 6.170 . 6.670 2.902 2.651 2.962 . 0 0 "[ . 1 . 2]" 3 762 1 43 GLY QA 1 44 VAL HA 6.170 . 6.670 4.136 4.091 4.163 . 0 0 "[ . 1 . 2]" 3 763 1 39 LYS QG 1 43 GLY QA 6.930 . 7.430 3.384 3.315 3.447 . 0 0 "[ . 1 . 2]" 3 764 1 39 LYS QD 1 43 GLY QA . . 8.280 3.291 3.219 3.345 . 0 0 "[ . 1 . 2]" 3 765 1 43 GLY QA 1 45 VAL MG2 7.410 . 7.910 4.044 3.965 4.133 . 0 0 "[ . 1 . 2]" 3 766 1 43 GLY QA 1 44 VAL QG 8.320 . 8.820 3.839 3.539 3.936 . 0 0 "[ . 1 . 2]" 3 767 1 40 PHE QB 1 43 GLY QA 8.320 . 8.820 4.541 4.415 4.753 . 0 0 "[ . 1 . 2]" 3 768 1 39 LYS HA 1 43 GLY QA 8.420 . 8.920 5.618 5.510 5.727 . 0 0 "[ . 1 . 2]" 3 769 1 44 VAL HA 1 45 VAL H 3.500 . 4.000 2.266 2.232 2.302 . 0 0 "[ . 1 . 2]" 3 770 1 5 SER QB 1 6 GLU H 6.170 . 6.670 3.516 2.651 3.983 . 0 0 "[ . 1 . 2]" 3 771 1 5 SER QB 1 7 PHE HE1 5.670 . 6.170 3.174 2.152 4.510 . 0 0 "[ . 1 . 2]" 3 772 1 44 VAL HA 1 45 VAL HA 5.500 . 6.000 4.513 4.482 4.532 . 0 0 "[ . 1 . 2]" 3 773 1 68 GLY QA 1 69 SER QB 4.410 . 4.910 3.602 3.548 3.633 . 0 0 "[ . 1 . 2]" 3 774 1 44 VAL HA 1 45 VAL HB 4.500 . 5.000 4.535 4.513 4.550 . 0 0 "[ . 1 . 2]" 3 775 1 28 THR H 1 44 VAL QG 9.340 . 9.840 3.918 3.845 3.997 . 0 0 "[ . 1 . 2]" 3 776 1 38 VAL H 1 53 VAL QG . . 7.310 2.389 2.255 2.448 . 0 0 "[ . 1 . 2]" 3 777 1 36 TYR H 1 53 VAL QG 10.690 . 11.190 3.552 3.489 3.711 . 0 0 "[ . 1 . 2]" 3 778 1 44 VAL QG 1 45 VAL H 6.070 . 6.570 2.440 2.380 2.531 . 0 0 "[ . 1 . 2]" 3 779 1 43 GLY H 1 44 VAL QG 7.410 . 7.910 3.873 3.487 4.004 . 0 0 "[ . 1 . 2]" 3 780 1 52 HIS H 1 53 VAL QG 7.410 . 7.910 3.559 3.459 3.715 . 0 0 "[ . 1 . 2]" 3 781 1 36 TYR QD 1 53 VAL QG 6.800 . 7.300 2.619 2.441 2.720 . 0 0 "[ . 1 . 2]" 3 782 1 50 HIS HA 1 53 VAL QG . . 6.570 4.067 3.967 4.152 . 0 0 "[ . 1 . 2]" 3 783 1 40 PHE QB 1 44 VAL QG 8.320 . 8.820 3.335 3.272 3.420 . 0 0 "[ . 1 . 2]" 3 784 1 36 TYR QB 1 53 VAL QG 8.180 . 8.680 2.159 2.091 2.271 . 0 0 "[ . 1 . 2]" 3 785 1 44 VAL QG 1 46 GLN QB 6.810 . 7.310 3.380 3.144 3.748 . 0 0 "[ . 1 . 2]" 3 786 1 8 GLN QG 1 30 VAL MG2 7.070 . 7.570 3.986 3.513 4.157 . 0 0 "[ . 1 . 2]" 3 787 1 40 PHE H 1 45 VAL HA 4.500 . 5.000 3.395 3.283 3.491 . 0 0 "[ . 1 . 2]" 3 788 1 45 VAL HA 1 46 GLN H 3.500 . 4.000 2.312 2.292 2.331 . 0 0 "[ . 1 . 2]" 3 789 1 38 VAL H 1 45 VAL HA 5.500 . 6.000 4.481 4.392 4.567 . 0 0 "[ . 1 . 2]" 3 790 1 39 LYS H 1 45 VAL HA 5.500 . 6.000 4.793 4.766 4.843 . 0 0 "[ . 1 . 2]" 3 791 1 40 PHE QD 1 45 VAL HA 5.500 . 6.000 4.144 3.721 4.425 . 0 0 "[ . 1 . 2]" 3 792 1 45 VAL HA 1 46 GLN HA 5.500 . 6.000 4.533 4.522 4.548 . 0 0 "[ . 1 . 2]" 3 793 1 45 VAL HA 1 46 GLN QB 6.170 . 6.670 4.430 4.388 4.490 . 0 0 "[ . 1 . 2]" 3 794 1 39 LYS QD 1 45 VAL HA 6.170 . 6.670 5.132 4.856 5.352 . 0 0 "[ . 1 . 2]" 3 795 1 39 LYS QB 1 45 VAL HA 6.170 . 6.670 3.754 3.664 3.862 . 0 0 "[ . 1 . 2]" 3 796 1 28 THR MG 1 45 VAL HA 6.610 . 7.110 3.516 3.376 3.654 . 0 0 "[ . 1 . 2]" 3 797 1 44 VAL QG 1 45 VAL HA 7.410 . 7.910 3.669 3.586 3.861 . 0 0 "[ . 1 . 2]" 3 798 1 38 VAL QG 1 45 VAL HA 7.410 . 7.910 4.034 3.946 4.142 . 0 0 "[ . 1 . 2]" 3 799 1 45 VAL HB 1 46 GLN H 5.500 . 6.000 4.035 3.981 4.109 . 0 0 "[ . 1 . 2]" 3 800 1 45 VAL H 1 45 VAL HB 3.500 . 4.000 2.704 2.656 2.742 . 0 0 "[ . 1 . 2]" 3 801 1 45 VAL HB 1 46 GLN QG 8.420 . 8.920 5.759 5.536 5.860 . 0 0 "[ . 1 . 2]" 3 802 1 28 THR MG 1 45 VAL HB 8.070 . 8.570 4.153 4.074 4.214 . 0 0 "[ . 1 . 2]" 3 803 1 44 VAL QG 1 45 VAL HB 7.410 . 7.910 4.523 4.461 4.671 . 0 0 "[ . 1 . 2]" 3 804 1 46 GLN HA 1 47 THR H 3.500 . 4.000 2.318 2.286 2.373 . 0 0 "[ . 1 . 2]" 3 805 1 36 TYR HD2 1 54 LYS HA 5.050 . 5.550 4.060 3.573 4.350 . 0 0 "[ . 1 . 2]" 3 806 1 46 GLN HA 1 47 THR HB 5.500 . 6.000 4.891 4.728 4.935 . 0 0 "[ . 1 . 2]" 3 807 1 45 VAL MG1 1 46 GLN HA 6.610 . 7.110 3.574 3.426 3.660 . 0 0 "[ . 1 . 2]" 3 808 1 47 THR HA 1 48 VAL H 3.500 . 4.000 2.225 2.182 2.272 . 0 0 "[ . 1 . 2]" 3 809 1 38 VAL H 1 47 THR HA 4.500 . 5.000 3.797 3.721 3.869 . 0 0 "[ . 1 . 2]" 3 810 1 36 TYR H 1 47 THR HA 6.610 . 7.110 4.006 3.932 4.038 . 0 0 "[ . 1 . 2]" 3 811 1 31 ASN QD 1 47 THR HA 6.930 . 7.430 4.922 4.721 5.308 . 0 0 "[ . 1 . 2]" 3 812 1 31 ASN QD 1 47 THR HA 6.170 . 6.670 5.157 4.942 5.500 . 0 0 "[ . 1 . 2]" 3 813 1 47 THR HA 1 48 VAL HA 5.500 . 6.000 4.539 4.525 4.568 . 0 0 "[ . 1 . 2]" 3 814 1 27 VAL HA 1 47 THR HA 6.170 . 6.670 4.718 4.635 4.799 . 0 0 "[ . 1 . 2]" 3 815 1 36 TYR QB 1 47 THR HA 6.610 . 7.110 4.362 4.257 4.471 . 0 0 "[ . 1 . 2]" 3 816 1 46 GLN QB 1 47 THR HA 6.170 . 6.670 4.417 4.307 4.510 . 0 0 "[ . 1 . 2]" 3 817 1 29 ALA MB 1 47 THR HA 9.450 . 9.950 5.546 5.438 5.677 . 0 0 "[ . 1 . 2]" 3 818 1 47 THR HA 1 48 VAL QG 7.410 . 7.910 3.028 2.952 3.065 . 0 0 "[ . 1 . 2]" 3 819 1 45 VAL MG1 1 47 THR HA 6.610 . 7.110 5.149 5.026 5.274 . 0 0 "[ . 1 . 2]" 3 820 1 47 THR HB 1 48 VAL H 5.500 . 6.000 3.998 3.853 4.070 . 0 0 "[ . 1 . 2]" 3 821 1 38 VAL H 1 47 THR HB 7.500 . 8.000 6.566 6.394 6.655 . 0 0 "[ . 1 . 2]" 3 822 1 36 TYR H 1 47 THR HB 6.610 . 7.110 5.476 5.376 5.522 . 0 0 "[ . 1 . 2]" 3 823 1 47 THR H 1 47 THR HB 3.500 . 4.000 2.738 2.610 2.814 . 0 0 "[ . 1 . 2]" 3 824 1 31 ASN QD 1 47 THR HB 6.170 . 6.670 5.527 5.516 5.536 . 0 0 "[ . 1 . 2]" 3 825 1 46 GLN QG 1 47 THR HB 8.420 . 8.920 5.919 5.710 6.217 . 0 0 "[ . 1 . 2]" 3 826 1 46 GLN QB 1 47 THR HB 6.170 . 6.670 5.027 4.855 5.104 . 0 0 "[ . 1 . 2]" 3 827 1 47 THR HB 1 48 VAL QG 7.410 . 7.910 4.454 4.405 4.569 . 0 0 "[ . 1 . 2]" 3 828 1 47 THR MG 1 48 VAL H 5.400 . 5.900 2.632 2.472 2.705 . 0 0 "[ . 1 . 2]" 3 829 1 38 VAL H 1 47 THR MG 6.610 . 7.110 5.163 5.027 5.326 . 0 0 "[ . 1 . 2]" 3 830 1 36 TYR H 1 47 THR MG 6.070 . 6.570 3.244 3.049 3.314 . 0 0 "[ . 1 . 2]" 3 831 1 31 ASN QD 1 47 THR MG 6.070 . 6.570 2.850 2.792 2.942 . 0 0 "[ . 1 . 2]" 3 832 1 37 THR HA 1 47 THR MG 5.400 . 5.900 3.349 3.214 3.498 . 0 0 "[ . 1 . 2]" 3 833 1 36 TYR QB 1 47 THR MG 7.930 . 8.430 4.366 4.210 4.451 . 0 0 "[ . 1 . 2]" 3 834 1 48 VAL HA 1 49 LYS H 3.500 . 4.000 2.653 2.566 2.702 . 0 0 "[ . 1 . 2]" 3 835 1 48 VAL HA 1 49 LYS HA 4.500 . 5.000 4.361 4.330 4.410 . 0 0 "[ . 1 . 2]" 3 836 1 48 VAL HA 1 49 LYS QD 7.410 . 7.910 3.294 3.178 3.585 . 0 0 "[ . 1 . 2]" 3 837 1 48 VAL HA 1 49 LYS QB 6.170 . 6.670 4.551 4.473 4.724 . 0 0 "[ . 1 . 2]" 3 838 1 48 VAL HB 1 49 LYS H 4.500 . 5.000 2.198 2.134 2.342 . 0 0 "[ . 1 . 2]" 3 839 1 16 SER H 1 48 VAL HB 5.500 . 6.000 5.367 5.106 5.528 . 0 0 "[ . 1 . 2]" 3 840 1 48 VAL HB 1 52 HIS H 5.500 . 6.000 4.481 4.395 4.543 . 0 0 "[ . 1 . 2]" 3 841 1 48 VAL HB 1 52 HIS HD2 5.500 . 6.000 5.324 5.245 5.509 . 0 0 "[ . 1 . 2]" 3 842 1 48 VAL HB 1 49 LYS HA 5.500 . 6.000 4.705 4.641 4.783 . 0 0 "[ . 1 . 2]" 3 843 1 48 VAL HB 1 52 HIS QB 5.050 . 5.550 2.137 2.092 2.222 . 0 0 "[ . 1 . 2]" 3 844 1 48 VAL HB 1 49 LYS QB 6.170 . 6.670 4.343 4.281 4.450 . 0 0 "[ . 1 . 2]" 3 845 1 48 VAL HB 1 53 VAL QG 7.410 . 7.910 3.092 2.688 3.544 . 0 0 "[ . 1 . 2]" 3 846 1 38 VAL QG 1 48 VAL HB 7.410 . 7.910 4.644 4.368 5.038 . 0 0 "[ . 1 . 2]" 3 847 1 38 VAL H 1 48 VAL QG 7.410 . 7.910 3.690 3.441 3.898 . 0 0 "[ . 1 . 2]" 3 848 1 36 TYR H 1 48 VAL QG 7.640 . 8.140 2.915 2.885 2.942 . 0 0 "[ . 1 . 2]" 3 849 1 36 TYR HD2 1 48 VAL QG 7.410 . 7.910 4.665 4.366 5.091 . 0 0 "[ . 1 . 2]" 3 850 1 35 THR HA 1 48 VAL QG 9.340 . 9.840 4.022 3.924 4.177 . 0 0 "[ . 1 . 2]" 3 851 1 49 LYS HA 1 50 HIS H 4.500 . 5.000 2.427 2.388 2.452 . 0 0 "[ . 1 . 2]" 3 852 1 36 TYR QD 1 49 LYS HA 9.010 . 9.510 4.537 4.176 5.523 . 0 0 "[ . 1 . 2]" 3 853 1 49 LYS HA 1 51 ILE H 5.500 . 6.000 4.379 4.311 4.450 . 0 0 "[ . 1 . 2]" 3 854 1 48 VAL HA 1 49 LYS HA 6.170 . 6.670 4.327 4.297 4.374 . 0 0 "[ . 1 . 2]" 3 855 1 34 GLY QA 1 49 LYS HA 6.610 . 7.110 3.447 3.302 3.682 . 0 0 "[ . 1 . 2]" 3 856 1 49 LYS HA 1 50 HIS QB 6.170 . 6.670 4.278 4.218 4.335 . 0 0 "[ . 1 . 2]" 3 857 1 49 LYS QB 1 50 HIS H 6.170 . 6.670 2.477 2.438 2.508 . 0 0 "[ . 1 . 2]" 3 858 1 49 LYS QB 1 51 ILE H 6.170 . 6.670 2.594 2.527 2.677 . 0 0 "[ . 1 . 2]" 3 859 1 48 VAL HA 1 49 LYS QB . . 7.430 4.265 4.229 4.349 . 0 0 "[ . 1 . 2]" 3 860 1 36 TYR QB 1 49 LYS QB 9.450 . 9.950 5.312 5.029 5.428 . 0 0 "[ . 1 . 2]" 3 861 1 36 TYR QB 1 49 LYS QB 7.410 . 7.910 4.157 4.070 4.258 . 0 0 "[ . 1 . 2]" 3 862 1 35 THR MG 1 49 LYS QB 8.900 . 9.400 3.413 3.291 3.664 . 0 0 "[ . 1 . 2]" 3 863 1 49 LYS QB 1 51 ILE MG . . 6.570 3.685 3.595 3.733 . 0 0 "[ . 1 . 2]" 3 864 1 49 LYS QB 1 51 ILE QG 6.930 . 7.430 2.072 2.047 2.100 . 0 0 "[ . 1 . 2]" 3 865 1 49 LYS QB 1 51 ILE MD 7.410 . 7.910 3.139 3.095 3.166 . 0 0 "[ . 1 . 2]" 3 866 1 49 LYS QB 1 52 HIS QB 6.930 . 7.430 3.736 3.679 3.794 . 0 0 "[ . 1 . 2]" 3 867 1 36 TYR QB 1 49 LYS QG 6.930 . 7.430 5.548 5.538 5.561 . 0 0 "[ . 1 . 2]" 3 868 1 36 TYR QB 1 49 LYS QG . . 7.910 4.216 4.137 4.402 . 0 0 "[ . 1 . 2]" 3 869 1 49 LYS QG 1 51 ILE HB 8.420 . 8.920 6.598 6.540 6.682 . 0 0 "[ . 1 . 2]" 3 870 1 49 LYS QG 1 51 ILE MG 7.410 . 7.910 5.433 5.326 5.496 . 0 0 "[ . 1 . 2]" 3 871 1 50 HIS HA 1 52 HIS H 5.500 . 6.000 3.594 3.501 3.756 . 0 0 "[ . 1 . 2]" 3 872 1 50 HIS HA 1 53 VAL H 5.500 . 6.000 3.317 3.059 3.632 . 0 0 "[ . 1 . 2]" 3 873 1 36 TYR HD2 1 50 HIS HA 3.930 . 4.430 2.285 2.143 2.392 . 0 0 "[ . 1 . 2]" 3 874 1 50 HIS HA 1 51 ILE H 5.500 . 6.000 3.626 3.614 3.638 . 0 0 "[ . 1 . 2]" 3 875 1 50 HIS HA 1 53 VAL HB 6.610 . 7.110 3.523 3.394 3.781 . 0 0 "[ . 1 . 2]" 3 876 1 35 THR MG 1 50 HIS HA 8.430 . 8.930 4.859 4.645 4.951 . 0 0 "[ . 1 . 2]" 3 877 1 48 VAL QG 1 50 HIS HA 7.410 . 7.910 5.394 4.957 5.508 . 0 0 "[ . 1 . 2]" 3 878 1 50 HIS QB 1 51 ILE H 6.170 . 6.670 2.748 2.701 2.799 . 0 0 "[ . 1 . 2]" 3 879 1 35 THR HA 1 50 HIS QB 6.930 . 7.430 4.140 3.917 4.464 . 0 0 "[ . 1 . 2]" 3 880 1 50 HIS QB 1 51 ILE HA 6.170 . 6.670 4.463 4.415 4.516 . 0 0 "[ . 1 . 2]" 3 881 1 35 THR HB 1 50 HIS QB 7.780 . 8.280 4.379 4.318 4.428 . 0 0 "[ . 1 . 2]" 3 882 1 32 LYS HA 1 50 HIS QB 7.410 . 7.910 3.113 2.894 3.487 . 0 0 "[ . 1 . 2]" 3 883 1 49 LYS QB 1 50 HIS QB 6.930 . 7.430 3.704 3.652 3.754 . 0 0 "[ . 1 . 2]" 3 884 1 49 LYS QD 1 50 HIS QB 8.730 . 9.230 4.598 4.550 4.660 . 0 0 "[ . 1 . 2]" 3 885 1 49 LYS QG 1 50 HIS QB 9.700 . 10.200 4.627 4.555 4.716 . 0 0 "[ . 1 . 2]" 3 886 1 49 LYS QG 1 50 HIS QB 6.930 . 7.430 5.248 5.159 5.324 . 0 0 "[ . 1 . 2]" 3 887 1 35 THR MG 1 50 HIS QB 10.110 . 10.610 4.780 4.605 5.066 . 0 0 "[ . 1 . 2]" 3 888 1 50 HIS QB 1 51 ILE MG 7.410 . 7.910 3.547 3.500 3.604 . 0 0 "[ . 1 . 2]" 3 889 1 51 ILE HA 1 52 HIS H 5.500 . 6.000 3.397 3.357 3.470 . 0 0 "[ . 1 . 2]" 3 890 1 51 ILE HA 1 53 VAL H 5.500 . 6.000 4.102 3.927 4.247 . 0 0 "[ . 1 . 2]" 3 891 1 36 TYR HD2 1 51 ILE HA 6.170 . 6.670 4.811 4.573 4.939 . 0 0 "[ . 1 . 2]" 3 892 1 51 ILE HA 1 53 VAL HA 7.500 . 8.000 6.708 6.528 6.774 . 0 0 "[ . 1 . 2]" 3 893 1 51 ILE HA 1 54 LYS HA 7.500 . 8.000 7.427 7.136 7.527 . 0 0 "[ . 1 . 2]" 3 894 1 49 LYS QG 1 51 ILE HA 7.190 . 7.690 5.324 5.192 5.422 . 0 0 "[ . 1 . 2]" 3 895 1 51 ILE QG 1 52 HIS H 6.170 . 6.670 2.999 2.833 3.109 . 0 0 "[ . 1 . 2]" 3 896 1 51 ILE QG 1 52 HIS HD2 6.170 . 6.670 3.052 3.004 3.104 . 0 0 "[ . 1 . 2]" 3 897 1 48 VAL HA 1 51 ILE QG 7.780 . 8.280 3.993 3.787 4.091 . 0 0 "[ . 1 . 2]" 3 898 1 49 LYS QD 1 51 ILE QG 9.990 . 10.490 2.764 2.639 2.837 . 0 0 "[ . 1 . 2]" 3 899 1 51 ILE QG 1 52 HIS HA 6.170 . 6.670 4.045 3.814 4.157 . 0 0 "[ . 1 . 2]" 3 900 1 51 ILE MD 1 52 HIS H 6.610 . 7.110 4.667 4.521 4.763 . 0 0 "[ . 1 . 2]" 3 901 1 51 ILE MD 1 52 HIS HD2 6.610 . 7.110 3.661 3.577 3.735 . 0 0 "[ . 1 . 2]" 3 902 1 51 ILE H 1 51 ILE MD 5.400 . 5.900 3.779 3.758 3.798 . 0 0 "[ . 1 . 2]" 3 903 1 49 LYS QG 1 51 ILE MD 7.410 . 7.910 4.244 4.217 4.319 . 0 0 "[ . 1 . 2]" 3 904 1 50 HIS H 1 51 ILE MG 6.610 . 7.110 4.536 4.488 4.574 . 0 0 "[ . 1 . 2]" 3 905 1 51 ILE MG 1 52 HIS H 6.610 . 7.110 4.352 4.328 4.368 . 0 0 "[ . 1 . 2]" 3 906 1 50 HIS HE1 1 51 ILE MG 6.610 . 7.110 5.137 4.577 5.504 . 0 0 "[ . 1 . 2]" 3 907 1 51 ILE MG 1 52 HIS HE1 9.010 . 9.510 6.202 6.151 6.249 . 0 0 "[ . 1 . 2]" 3 908 1 51 ILE MG 1 53 VAL H 6.610 . 7.110 5.460 5.392 5.507 . 0 0 "[ . 1 . 2]" 3 909 1 50 HIS HD2 1 51 ILE MG 6.610 . 7.110 5.443 5.317 5.507 . 0 0 "[ . 1 . 2]" 3 910 1 51 ILE MG 1 52 HIS HA 6.610 . 7.110 5.601 5.569 5.618 . 0 0 "[ . 1 . 2]" 3 911 1 49 LYS HA 1 51 ILE MG 7.410 . 7.910 4.817 4.791 4.841 . 0 0 "[ . 1 . 2]" 3 912 1 49 LYS QD 1 51 ILE MG 7.280 . 7.780 4.150 4.048 4.227 . 0 0 "[ . 1 . 2]" 3 913 1 49 LYS H 1 52 HIS QB 6.170 . 6.670 2.633 2.531 2.847 . 0 0 "[ . 1 . 2]" 3 914 1 16 SER H 1 52 HIS QB 6.170 . 6.670 3.088 2.953 3.190 . 0 0 "[ . 1 . 2]" 3 915 1 52 HIS QB 1 53 VAL H 6.170 . 6.670 3.307 3.219 3.373 . 0 0 "[ . 1 . 2]" 3 916 1 22 PHE HE1 1 52 HIS QB 6.170 . 6.670 4.273 3.892 4.504 . 0 0 "[ . 1 . 2]" 3 917 1 15 ALA MB 1 52 HIS QB 7.410 . 7.910 4.309 4.161 4.414 . 0 0 "[ . 1 . 2]" 3 918 1 52 HIS QB 1 53 VAL QG 8.320 . 8.820 2.389 2.272 2.519 . 0 0 "[ . 1 . 2]" 3 919 1 16 SER H 1 52 HIS HA 5.500 . 6.000 3.778 3.689 3.897 . 0 0 "[ . 1 . 2]" 3 920 1 52 HIS HA 1 53 VAL H 4.500 . 5.000 3.431 3.390 3.483 . 0 0 "[ . 1 . 2]" 3 921 1 22 PHE HE1 1 52 HIS HA 5.500 . 6.000 3.090 2.501 3.396 . 0 0 "[ . 1 . 2]" 3 922 1 15 ALA HA 1 52 HIS HA 7.500 . 8.000 5.107 5.014 5.203 . 0 0 "[ . 1 . 2]" 3 923 1 51 ILE HA 1 52 HIS HA 5.500 . 6.000 4.591 4.549 4.654 . 0 0 "[ . 1 . 2]" 3 924 1 51 ILE MG 1 52 HIS HA 7.930 . 8.430 3.979 3.960 4.002 . 0 0 "[ . 1 . 2]" 3 925 1 53 VAL HA 1 54 LYS H 4.500 . 5.000 2.218 2.188 2.245 . 0 0 "[ . 1 . 2]" 3 926 1 16 SER H 1 53 VAL HA 5.500 . 6.000 3.616 3.541 3.744 . 0 0 "[ . 1 . 2]" 3 927 1 22 PHE HD1 1 53 VAL HA 5.500 . 6.000 3.916 3.605 4.557 . 0 0 "[ . 1 . 2]" 3 928 1 14 LEU QB 1 53 VAL HA 5.880 . 6.380 3.367 3.322 3.419 . 0 0 "[ . 1 . 2]" 3 929 1 53 VAL HA 1 54 LYS QD 6.170 . 6.670 5.522 5.445 5.553 . 0 0 "[ . 1 . 2]" 3 930 1 38 VAL H 1 53 VAL HB 6.170 . 6.670 3.975 3.843 4.023 . 0 0 "[ . 1 . 2]" 3 931 1 53 VAL HB 1 61 ASN QD 8.420 . 8.920 4.425 3.722 4.933 . 0 0 "[ . 1 . 2]" 3 932 1 52 HIS HA 1 53 VAL HB 7.500 . 8.000 5.821 5.798 5.870 . 0 0 "[ . 1 . 2]" 3 933 1 50 HIS HA 1 53 VAL HB 5.500 . 6.000 3.557 3.428 3.807 . 0 0 "[ . 1 . 2]" 3 934 1 13 VAL HB 1 53 VAL HB 6.610 . 7.110 4.947 4.860 5.063 . 0 0 "[ . 1 . 2]" 3 935 1 48 VAL QG 1 53 VAL HB 7.780 . 8.280 3.798 3.626 3.890 . 0 0 "[ . 1 . 2]" 3 936 1 48 VAL QG 1 53 VAL HB 7.410 . 7.910 3.855 3.668 3.951 . 0 0 "[ . 1 . 2]" 3 937 1 49 LYS QB 1 53 VAL HB 6.930 . 7.430 5.051 4.993 5.135 . 0 0 "[ . 1 . 2]" 3 938 1 13 VAL H 1 53 VAL QG 8.320 . 8.820 3.886 3.763 4.200 . 0 0 "[ . 1 . 2]" 3 939 1 14 LEU H 1 53 VAL QG 6.070 . 6.570 3.482 3.264 3.574 . 0 0 "[ . 1 . 2]" 3 940 1 53 VAL QG 1 61 ASN QD 6.810 . 7.310 3.825 3.408 4.250 . 0 0 "[ . 1 . 2]" 3 941 1 22 PHE HA 1 53 VAL QG 8.320 . 8.820 3.287 3.233 3.346 . 0 0 "[ . 1 . 2]" 3 942 1 13 VAL HA 1 53 VAL QG 7.410 . 7.910 4.431 4.321 4.550 . 0 0 "[ . 1 . 2]" 3 943 1 49 LYS HA 1 53 VAL QG 8.900 . 9.400 3.737 3.658 3.814 . 0 0 "[ . 1 . 2]" 3 944 1 27 VAL QG 1 53 VAL QG 9.990 . 10.490 3.312 3.144 3.405 . 0 0 "[ . 1 . 2]" 3 945 1 54 LYS QB 1 55 ALA H 5.050 . 5.550 2.264 2.134 2.469 . 0 0 "[ . 1 . 2]" 3 946 1 36 TYR HE2 1 54 LYS QB 6.170 . 6.670 5.517 5.210 5.583 . 0 0 "[ . 1 . 2]" 3 947 1 22 PHE HE1 1 54 LYS QB 6.930 . 7.430 4.645 4.350 5.133 . 0 0 "[ . 1 . 2]" 3 948 1 50 HIS HD2 1 54 LYS QB 6.170 . 6.670 4.150 3.455 4.737 . 0 0 "[ . 1 . 2]" 3 949 1 54 LYS H 1 54 LYS QE 6.170 . 6.670 4.699 4.550 4.807 . 0 0 "[ . 1 . 2]" 3 950 1 54 LYS QE 1 55 ALA H 6.170 . 6.670 5.370 5.081 5.533 . 0 0 "[ . 1 . 2]" 3 951 1 22 PHE HE1 1 54 LYS QE 6.170 . 6.670 4.391 3.662 5.448 . 0 0 "[ . 1 . 2]" 3 952 1 54 LYS QE 1 56 PHE HD1 8.420 . 8.920 6.690 6.216 7.332 . 0 0 "[ . 1 . 2]" 3 953 1 22 PHE HD1 1 54 LYS QE 6.170 . 6.670 4.626 3.950 5.525 . 0 0 "[ . 1 . 2]" 3 954 1 22 PHE HE1 1 54 LYS QE 7.780 . 8.280 4.351 3.655 5.318 . 0 0 "[ . 1 . 2]" 3 955 1 54 LYS H 1 55 ALA HA 5.500 . 6.000 5.057 5.004 5.123 . 0 0 "[ . 1 . 2]" 3 956 1 55 ALA HA 1 56 PHE H 3.500 . 4.000 2.502 2.462 2.532 . 0 0 "[ . 1 . 2]" 3 957 1 7 PHE HE1 1 55 ALA HA 6.070 . 6.570 4.318 4.081 4.454 . 0 0 "[ . 1 . 2]" 3 958 1 7 PHE HD2 1 55 ALA HA 5.500 . 6.000 4.181 3.628 4.684 . 0 0 "[ . 1 . 2]" 3 959 1 12 GLN HA 1 55 ALA HA 6.170 . 6.670 4.365 4.319 4.416 . 0 0 "[ . 1 . 2]" 3 960 1 55 ALA HA 1 56 PHE QB 6.170 . 6.670 4.364 4.304 4.429 . 0 0 "[ . 1 . 2]" 3 961 1 55 ALA HA 1 56 PHE QB 6.930 . 7.430 4.273 4.216 4.330 . 0 0 "[ . 1 . 2]" 3 962 1 13 VAL HB 1 55 ALA HA 5.500 . 6.000 4.032 3.880 4.141 . 0 0 "[ . 1 . 2]" 3 963 1 53 VAL HB 1 55 ALA HA 6.610 . 7.110 4.646 4.591 4.680 . 0 0 "[ . 1 . 2]" 3 964 1 54 LYS QG 1 55 ALA HA 6.930 . 7.430 4.755 4.647 4.868 . 0 0 "[ . 1 . 2]" 3 965 1 14 LEU QD 1 55 ALA HA 8.900 . 9.400 4.525 4.270 4.695 . 0 0 "[ . 1 . 2]" 3 966 1 55 ALA MB 1 56 PHE H 4.200 . 4.700 2.452 2.381 2.514 . 0 0 "[ . 1 . 2]" 3 967 1 7 PHE HE1 1 55 ALA MB 7.070 . 7.570 3.568 3.281 3.741 . 0 0 "[ . 1 . 2]" 3 968 1 7 PHE HD2 1 55 ALA MB 7.930 . 8.430 2.509 2.330 2.658 . 0 0 "[ . 1 . 2]" 3 969 1 56 PHE HA 1 57 SER H 4.500 . 5.000 3.441 2.588 3.560 . 0 0 "[ . 1 . 2]" 3 970 1 56 PHE HA 1 57 SER QB 6.170 . 6.670 5.274 5.007 5.391 . 0 0 "[ . 1 . 2]" 3 971 1 14 LEU QB 1 56 PHE HA 7.190 . 7.690 3.484 3.346 3.646 . 0 0 "[ . 1 . 2]" 3 972 1 14 LEU QB 1 56 PHE HA 6.170 . 6.670 3.698 3.492 3.946 . 0 0 "[ . 1 . 2]" 3 973 1 13 VAL H 1 56 PHE QB 6.170 . 6.670 4.483 3.846 5.063 . 0 0 "[ . 1 . 2]" 3 974 1 12 GLN QB 1 56 PHE QB 6.930 . 7.430 2.781 2.262 3.279 . 0 0 "[ . 1 . 2]" 3 975 1 14 LEU QB 1 56 PHE QB . . 8.570 3.855 3.771 3.973 . 0 0 "[ . 1 . 2]" 3 976 1 57 SER QB 1 59 ASP H 6.170 . 6.670 3.316 3.072 3.584 . 0 0 "[ . 1 . 2]" 3 977 1 7 PHE HE1 1 57 SER QB . . 7.430 4.426 3.801 4.927 . 0 0 "[ . 1 . 2]" 3 978 1 54 LYS HA 1 57 SER QB 6.930 . 7.430 4.998 4.649 5.608 . 0 0 "[ . 1 . 2]" 3 979 1 57 SER QB 1 59 ASP HA 8.420 . 8.920 5.517 5.196 5.720 . 0 0 "[ . 1 . 2]" 3 980 1 57 SER QB 1 58 LYS HA 6.170 . 6.670 4.719 4.612 4.833 . 0 0 "[ . 1 . 2]" 3 981 1 54 LYS QE 1 57 SER QB . . 8.820 5.210 4.740 5.534 . 0 0 "[ . 1 . 2]" 3 982 1 57 SER QB 1 60 GLN QB 8.070 . 8.570 4.158 3.770 4.461 . 0 0 "[ . 1 . 2]" 3 983 1 57 SER QB 1 62 ILE HB 6.170 . 6.670 5.442 5.020 5.544 . 0 0 "[ . 1 . 2]" 3 984 1 54 LYS QD 1 57 SER QB 6.930 . 7.430 5.179 4.155 5.517 . 0 0 "[ . 1 . 2]" 3 985 1 55 ALA MB 1 57 SER QB 7.410 . 7.910 2.349 2.256 2.496 . 0 0 "[ . 1 . 2]" 3 986 1 57 SER QB 1 62 ILE MD 7.410 . 7.910 2.876 2.467 3.459 . 0 0 "[ . 1 . 2]" 3 987 1 78 SER QB 1 79 LYS H 7.780 . 8.280 3.022 2.737 3.809 . 0 0 "[ . 1 . 2]" 3 988 1 56 PHE H 1 57 SER QB 6.170 . 6.670 4.616 4.469 4.861 . 0 0 "[ . 1 . 2]" 3 989 1 57 SER HA 1 59 ASP H 5.500 . 6.000 4.066 3.826 4.568 . 0 0 "[ . 1 . 2]" 3 990 1 7 PHE HE1 1 57 SER HA 6.170 . 6.670 4.438 4.240 4.641 . 0 0 "[ . 1 . 2]" 3 991 1 57 SER HA 1 58 LYS HA 4.500 . 5.000 4.360 4.175 4.410 . 0 0 "[ . 1 . 2]" 3 992 1 54 LYS QE 1 57 SER HA 6.930 . 7.430 4.207 3.919 4.424 . 0 0 "[ . 1 . 2]" 3 993 1 54 LYS QB 1 57 SER HA 7.410 . 7.910 4.124 3.697 4.390 . 0 0 "[ . 1 . 2]" 3 994 1 54 LYS QD 1 57 SER HA 7.190 . 7.690 4.243 4.078 4.386 . 0 0 "[ . 1 . 2]" 3 995 1 54 LYS QD 1 57 SER HA 7.780 . 8.280 4.366 3.924 5.154 . 0 0 "[ . 1 . 2]" 3 996 1 14 LEU QD 1 57 SER HA 8.320 . 8.820 4.924 4.302 5.559 . 0 0 "[ . 1 . 2]" 3 997 1 65 ASN HA 1 66 ALA HA 5.500 . 6.000 4.514 4.305 5.364 . 0 0 "[ . 1 . 2]" 3 998 1 61 ASN HA 1 64 GLY QA 8.320 . 8.820 4.129 4.063 4.178 . 0 0 "[ . 1 . 2]" 3 999 1 65 ASN HA 1 67 ARG QD 6.930 . 7.430 4.945 4.022 6.208 . 0 0 "[ . 1 . 2]" 3 1000 1 61 ASN HA 1 62 ILE QG 6.170 . 6.670 3.311 2.979 4.317 . 0 0 "[ . 1 . 2]" 3 1001 1 61 ASN HA 1 63 VAL QG 7.410 . 7.910 4.899 4.474 5.508 . 0 0 "[ . 1 . 2]" 3 1002 1 61 ASN QB 1 68 GLY H 7.410 . 7.910 4.535 3.526 5.520 . 0 0 "[ . 1 . 2]" 3 1003 1 61 ASN QB 1 68 GLY H 6.170 . 6.670 4.891 4.391 5.589 . 0 0 "[ . 1 . 2]" 3 1004 1 61 ASN QB 1 62 ILE H 7.410 . 7.910 3.234 2.969 3.542 . 0 0 "[ . 1 . 2]" 3 1005 1 61 ASN QB 1 62 ILE H 6.170 . 6.670 3.260 2.975 3.566 . 0 0 "[ . 1 . 2]" 3 1006 1 61 ASN QB 1 62 ILE HA 6.170 . 6.670 4.302 4.210 4.412 . 0 0 "[ . 1 . 2]" 3 1007 1 61 ASN QB 1 64 GLY QA 8.730 . 9.230 4.032 3.434 5.008 . 0 0 "[ . 1 . 2]" 3 1008 1 40 PHE QB 1 42 ASP QB 11.000 . 11.500 3.017 2.653 3.237 . 0 0 "[ . 1 . 2]" 3 1009 1 61 ASN QB 1 67 ARG QD 11.000 . 11.500 3.871 2.256 5.928 . 0 0 "[ . 1 . 2]" 3 1010 1 61 ASN QB 1 62 ILE QG 6.930 . 7.430 4.609 4.435 4.977 . 0 0 "[ . 1 . 2]" 3 1011 1 42 ASP QB 1 79 LYS QG 6.930 . 7.430 5.010 3.674 5.530 . 0 0 "[ . 1 . 2]" 3 1012 1 61 ASN QB 1 62 ILE MD 9.340 . 9.840 4.954 4.504 5.125 . 0 0 "[ . 1 . 2]" 3 1013 1 61 ASN QB 1 62 ILE MG 7.410 . 7.910 5.553 5.511 5.624 . 0 0 "[ . 1 . 2]" 3 1014 1 62 ILE HA 1 63 VAL H 3.500 . 4.000 3.258 2.849 3.645 . 0 0 "[ . 1 . 2]" 3 1015 1 62 ILE HB 1 63 VAL H 5.500 . 6.000 3.774 2.406 4.335 . 0 0 "[ . 1 . 2]" 3 1016 1 60 GLN H 1 62 ILE QG 6.170 . 6.670 4.820 4.318 5.474 . 0 0 "[ . 1 . 2]" 3 1017 1 62 ILE QG 1 63 VAL H 6.170 . 6.670 4.376 4.001 4.685 . 0 0 "[ . 1 . 2]" 3 1018 1 75 HIS QB 1 76 LEU HG 6.170 . 6.670 5.147 4.488 5.506 . 0 0 "[ . 1 . 2]" 3 1019 1 62 ILE MG 1 63 VAL H 6.610 . 7.110 4.099 3.075 4.433 . 0 0 "[ . 1 . 2]" 3 1020 1 63 VAL QG 1 64 GLY QA 8.320 . 8.820 3.221 2.832 3.648 . 0 0 "[ . 1 . 2]" 3 1021 1 6 GLU QB 1 8 GLN H 6.170 . 6.670 4.592 3.035 5.606 . 0 0 "[ . 1 . 2]" 3 1022 1 6 GLU QB 1 7 PHE H 5.050 . 5.550 3.381 2.851 3.899 . 0 0 "[ . 1 . 2]" 3 1023 1 6 GLU QB 1 7 PHE HE1 8.420 . 8.920 7.099 6.312 7.531 . 0 0 "[ . 1 . 2]" 3 1024 1 6 GLU QB 1 7 PHE HD1 8.420 . 8.920 6.298 5.470 6.669 . 0 0 "[ . 1 . 2]" 3 1025 1 5 SER HA 1 6 GLU QB 6.170 . 6.670 4.606 3.749 5.190 . 0 0 "[ . 1 . 2]" 3 1026 1 68 GLY H 1 69 SER HA 7.500 . 8.000 5.511 4.520 6.041 . 0 0 "[ . 1 . 2]" 3 1027 1 5 SER HA 1 6 GLU H 3.500 . 4.000 2.623 2.212 3.540 . 0 0 "[ . 1 . 2]" 3 1028 1 58 LYS HA 1 59 ASP H 5.050 . 5.550 3.542 3.473 3.597 . 0 0 "[ . 1 . 2]" 3 1029 1 56 PHE HE1 1 58 LYS HA 7.500 . 8.000 7.508 7.280 7.584 . 0 0 "[ . 1 . 2]" 3 1030 1 58 LYS HA 1 72 HIS HA 5.500 . 6.000 5.413 3.369 5.679 . 0 0 "[ . 1 . 2]" 3 1031 1 58 LYS HA 1 59 ASP HA 5.500 . 6.000 4.811 4.679 4.917 . 0 0 "[ . 1 . 2]" 3 1032 1 58 LYS QB 1 59 ASP H . . 7.430 3.198 2.298 3.736 . 0 0 "[ . 1 . 2]" 3 1033 1 76 LEU QD 1 80 LYS QG 7.640 . 8.140 3.131 2.173 4.913 . 0 0 "[ . 1 . 2]" 3 1034 1 59 ASP HA 1 60 GLN HA 5.500 . 6.000 4.727 4.683 4.783 . 0 0 "[ . 1 . 2]" 3 1035 1 59 ASP HA 1 60 GLN QB 6.170 . 6.670 4.957 4.823 5.300 . 0 0 "[ . 1 . 2]" 3 1036 1 54 LYS QD 1 59 ASP HA 7.410 . 7.910 3.385 3.149 4.155 . 0 0 "[ . 1 . 2]" 3 1037 1 58 LYS QE 1 59 ASP HA 6.930 . 7.430 5.340 4.518 6.209 . 0 0 "[ . 1 . 2]" 3 1038 1 46 GLN QG 1 48 VAL HA 7.780 . 8.280 5.213 4.829 5.659 . 0 0 "[ . 1 . 2]" 3 1039 1 60 GLN QG 1 68 GLY QA 9.990 . 10.490 3.828 2.244 4.409 . 0 0 "[ . 1 . 2]" 3 1040 1 57 SER QB 1 60 GLN QG . . 8.280 5.955 4.909 6.201 . 0 0 "[ . 1 . 2]" 3 1041 1 36 TYR QB 1 46 GLN QG 6.930 . 7.430 5.428 5.280 5.596 . 0 0 "[ . 1 . 2]" 3 1042 1 60 GLN QG 1 61 ASN QB 7.780 . 8.280 5.074 4.664 5.839 . 0 0 "[ . 1 . 2]" 3 1043 1 46 GLN QG 1 48 VAL QG 8.320 . 8.820 2.274 2.127 2.562 . 0 0 "[ . 1 . 2]" 3 1044 1 25 ALA MB 1 46 GLN QG 7.410 . 7.910 4.973 4.739 5.362 . 0 0 "[ . 1 . 2]" 3 1045 1 80 LYS HA 1 81 GLY H 5.500 . 6.000 2.922 2.276 3.592 . 0 0 "[ . 1 . 2]" 3 1046 1 76 LEU QB 1 80 LYS HA 6.170 . 6.670 5.377 4.520 5.578 . 0 0 "[ . 1 . 2]" 3 1047 1 71 ALA HA 1 72 HIS QB 6.170 . 6.670 4.273 4.037 4.857 . 0 0 "[ . 1 . 2]" 3 1048 1 7 PHE HE1 1 71 ALA MB 7.410 . 7.910 5.127 3.398 5.544 . 0 0 "[ . 1 . 2]" 3 1049 1 71 ALA MB 1 72 HIS HA 6.610 . 7.110 4.027 3.836 4.521 . 0 0 "[ . 1 . 2]" 3 1050 1 74 SER HA 1 76 LEU QB 8.420 . 8.920 5.044 4.237 7.243 . 0 0 "[ . 1 . 2]" 3 1051 1 56 PHE HE1 1 76 LEU QB 6.170 . 6.670 5.157 3.379 5.542 . 0 0 "[ . 1 . 2]" 3 1052 1 30 VAL H 1 63 VAL QG 7.410 . 7.910 5.522 5.231 5.590 . 0 0 "[ . 1 . 2]" 3 1053 1 63 VAL QG 1 64 GLY H 6.070 . 6.570 2.406 1.736 3.315 0.064 16 0 "[ . 1 . 2]" 3 1054 1 31 ASN H 1 63 VAL QG 7.410 . 7.910 5.493 5.268 5.572 . 0 0 "[ . 1 . 2]" 3 1055 1 36 TYR HH 1 63 VAL QG 7.410 . 7.910 2.182 1.914 2.672 . 0 0 "[ . 1 . 2]" 3 1056 1 8 GLN HA 1 63 VAL QG 6.070 . 6.570 2.703 2.250 3.170 . 0 0 "[ . 1 . 2]" 3 1057 1 55 ALA HA 1 63 VAL QG 7.410 . 7.910 4.656 3.834 5.281 . 0 0 "[ . 1 . 2]" 3 1058 1 8 GLN QB 1 63 VAL QG 8.320 . 8.820 3.809 3.250 4.319 . 0 0 "[ . 1 . 2]" 3 1059 1 6 GLU QB 1 63 VAL QG 8.320 . 8.820 5.126 4.371 5.520 . 0 0 "[ . 1 . 2]" 3 1060 1 9 ILE QG 1 63 VAL QG 6.810 . 7.310 4.284 3.416 4.525 . 0 0 "[ . 1 . 2]" 3 1061 1 62 ILE QG 1 63 VAL QG 8.320 . 8.820 4.658 4.207 5.225 . 0 0 "[ . 1 . 2]" 3 1062 1 27 VAL QG 1 63 VAL QG 9.990 . 10.490 3.278 2.743 3.599 . 0 0 "[ . 1 . 2]" 3 1063 1 28 THR H 1 45 VAL MG2 7.410 . 7.910 3.777 3.677 3.910 . 0 0 "[ . 1 . 2]" 3 1064 1 28 THR H 1 45 VAL MG1 7.410 . 7.910 4.540 4.377 4.656 . 0 0 "[ . 1 . 2]" 3 1065 1 38 VAL H 1 45 VAL MG1 6.610 . 7.110 3.550 3.452 3.671 . 0 0 "[ . 1 . 2]" 3 1066 1 45 VAL MG1 1 46 GLN H 5.400 . 5.900 2.485 2.436 2.593 . 0 0 "[ . 1 . 2]" 3 1067 1 45 VAL MG2 1 46 GLN H 5.400 . 5.900 4.103 4.057 4.179 . 0 0 "[ . 1 . 2]" 3 1068 1 39 LYS H 1 45 VAL MG2 6.610 . 7.110 4.690 4.621 4.787 . 0 0 "[ . 1 . 2]" 3 1069 1 44 VAL HA 1 45 VAL MG2 6.610 . 7.110 3.513 3.286 3.589 . 0 0 "[ . 1 . 2]" 3 1070 1 39 LYS QD 1 45 VAL MG1 7.410 . 7.910 4.094 3.933 4.217 . 0 0 "[ . 1 . 2]" 3 1071 1 28 THR MG 1 45 VAL MG1 4.760 . 5.260 2.449 2.305 2.519 . 0 0 "[ . 1 . 2]" 3 1072 1 12 GLN QG 1 25 ALA H 6.170 . 6.670 4.637 4.174 5.529 . 0 0 "[ . 1 . 2]" 3 1073 1 7 PHE HE1 1 12 GLN QG 6.170 . 6.670 5.248 4.113 5.564 . 0 0 "[ . 1 . 2]" 3 1074 1 12 GLN QG 1 13 VAL HA 6.170 . 6.670 5.571 5.495 5.654 . 0 0 "[ . 1 . 2]" 3 1075 1 6 GLU QG 1 7 PHE H 7.410 . 7.910 3.569 2.206 4.046 . 0 0 "[ . 1 . 2]" 3 1076 1 6 GLU QG 1 7 PHE HZ 8.420 . 8.920 6.933 6.129 7.507 . 0 0 "[ . 1 . 2]" 3 1077 1 6 GLU QG 1 7 PHE HD2 8.320 . 8.820 3.856 2.208 4.507 . 0 0 "[ . 1 . 2]" 3 1078 1 5 SER HA 1 6 GLU QG . . 7.430 4.454 3.411 5.567 . 0 0 "[ . 1 . 2]" 3 1079 1 7 PHE HA 1 8 GLN QB 6.170 . 6.670 4.670 4.264 5.002 . 0 0 "[ . 1 . 2]" 3 1080 1 8 GLN QB 1 9 ILE QG 6.930 . 7.430 3.653 3.446 3.810 . 0 0 "[ . 1 . 2]" 3 1081 1 6 GLU HA 1 7 PHE H 4.200 . 4.700 2.687 2.166 3.198 . 0 0 "[ . 1 . 2]" 3 1082 1 6 GLU HA 1 7 PHE HE1 6.610 . 7.110 5.332 4.646 5.607 . 0 0 "[ . 1 . 2]" 3 1083 1 6 GLU HA 1 7 PHE HD2 6.610 . 7.110 3.288 2.676 3.635 . 0 0 "[ . 1 . 2]" 3 1084 1 6 GLU HA 1 7 PHE HA 5.500 . 6.000 4.855 4.414 5.329 . 0 0 "[ . 1 . 2]" 3 1085 1 5 SER HA 1 6 GLU HA 6.610 . 7.110 4.462 4.117 5.112 . 0 0 "[ . 1 . 2]" 3 1086 1 6 GLU HA 1 7 PHE QB 6.930 . 7.430 4.341 4.205 4.454 . 0 0 "[ . 1 . 2]" 3 1087 1 44 VAL QG 1 46 GLN QG 9.340 . 9.840 2.248 2.111 2.462 . 0 0 "[ . 1 . 2]" 3 1088 1 17 TRP HD1 1 46 GLN QG 6.930 . 7.430 4.159 3.990 4.462 . 0 0 "[ . 1 . 2]" 3 1089 1 40 PHE QD 1 46 GLN QG 6.930 . 7.430 3.589 3.353 3.775 . 0 0 "[ . 1 . 2]" 3 1090 1 46 GLN QG 1 47 THR H 6.170 . 6.670 3.875 3.756 4.089 . 0 0 "[ . 1 . 2]" 3 1091 1 29 ALA HA 1 30 VAL HA 4.500 . 5.000 4.526 4.513 4.538 . 0 0 "[ . 1 . 2]" 3 1092 1 42 ASP QB 1 43 GLY H 6.170 . 6.670 3.007 2.924 3.120 . 0 0 "[ . 1 . 2]" 3 1093 1 5 SER HA 1 7 PHE HE1 6.170 . 6.670 4.095 2.632 5.516 . 0 0 "[ . 1 . 2]" 3 1094 1 5 SER HA 1 6 GLU QB 5.670 . 6.170 4.245 3.739 4.614 . 0 0 "[ . 1 . 2]" 3 1095 1 5 SER HA 1 6 GLU QG 6.170 . 6.670 4.512 3.413 5.600 . 0 0 "[ . 1 . 2]" 3 1096 1 74 SER HA 1 76 LEU QD 7.410 . 7.910 3.844 2.955 5.437 . 0 0 "[ . 1 . 2]" 3 1097 1 5 SER HA 1 7 PHE H 5.500 . 6.000 4.465 2.981 5.597 . 0 0 "[ . 1 . 2]" 3 stop_ save_
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