NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
377908 | 1ght | 4269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ght 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 2037 _Distance_constraint_stats_list.Viol_count 60 _Distance_constraint_stats_list.Viol_total 5.417 _Distance_constraint_stats_list.Viol_max 1.548 _Distance_constraint_stats_list.Viol_rms 0.0489 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0027 _Distance_constraint_stats_list.Viol_average_violations_only 0.0903 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 0.006 0.006 1 0 "[ ]" 1 2 ARG 0.006 0.006 1 0 "[ ]" 1 3 LEU 0.024 0.024 1 0 "[ ]" 1 4 PHE 0.007 0.007 1 0 "[ ]" 1 5 GLY 0.031 0.028 1 0 "[ ]" 1 6 TYR 0.000 0.000 . 0 "[ ]" 1 7 ALA 0.086 0.047 1 0 "[ ]" 1 8 ARG 0.000 0.000 . 0 "[ ]" 1 9 VAL 0.000 0.000 . 0 "[ ]" 1 10 SER 0.000 0.000 . 0 "[ ]" 1 11 THR 0.000 0.000 . 0 "[ ]" 1 12 SER 0.000 0.000 . 0 "[ ]" 1 13 GLN 0.000 0.000 . 0 "[ ]" 1 14 GLN 0.000 0.000 . 0 "[ ]" 1 15 SER 0.000 0.000 . 0 "[ ]" 1 16 LEU 0.330 0.140 1 0 "[ ]" 1 17 ASP 0.000 0.000 . 0 "[ ]" 1 18 ILE 0.000 0.000 . 0 "[ ]" 1 19 GLN 0.000 0.000 . 0 "[ ]" 1 20 VAL 0.093 0.093 1 0 "[ ]" 1 21 ARG 0.041 0.032 1 0 "[ ]" 1 22 ALA 0.000 0.000 . 0 "[ ]" 1 23 LEU 0.021 0.021 1 0 "[ ]" 1 24 LYS 0.180 0.093 1 0 "[ ]" 1 25 ASP 0.193 0.084 1 0 "[ ]" 1 26 ALA 0.087 0.087 1 0 "[ ]" 1 27 GLY 0.077 0.077 1 0 "[ ]" 1 28 VAL 0.028 0.028 1 0 "[ ]" 1 29 LYS 0.042 0.024 1 0 "[ ]" 1 30 ALA 0.031 0.014 1 0 "[ ]" 1 31 ASN 0.088 0.049 1 0 "[ ]" 1 32 ARG 0.080 0.048 1 0 "[ ]" 1 33 ILE 0.020 0.014 1 0 "[ ]" 1 34 PHE 0.003 0.003 1 0 "[ ]" 1 35 THR 0.277 0.140 1 0 "[ ]" 1 36 ASP 0.117 0.047 1 0 "[ ]" 1 37 LYS 0.053 0.053 1 0 "[ ]" 1 38 ALA 0.027 0.027 1 0 "[ ]" 1 39 SER 0.014 0.014 1 0 "[ ]" 1 40 GLY 0.029 0.016 1 0 "[ ]" 1 42 SER 0.000 0.000 . 0 "[ ]" 1 43 SER 0.000 0.000 . 0 "[ ]" 1 44 ASP 0.027 0.027 1 0 "[ ]" 1 45 ARG 0.029 0.029 1 0 "[ ]" 1 46 LYS 0.000 0.000 . 0 "[ ]" 1 47 GLY 0.091 0.068 1 0 "[ ]" 1 48 LEU 0.000 0.000 . 0 "[ ]" 1 49 ASP 0.000 0.000 . 0 "[ ]" 1 50 LEU 0.050 0.050 1 0 "[ ]" 1 51 LEU 0.089 0.068 1 0 "[ ]" 1 52 ARG 0.000 0.000 . 0 "[ ]" 1 53 MET 0.050 0.050 1 0 "[ ]" 1 54 LYS 0.020 0.020 1 0 "[ ]" 1 55 VAL 0.000 0.000 . 0 "[ ]" 1 56 GLU 3.086 1.548 1 1 [+] 1 57 GLU 0.033 0.033 1 0 "[ ]" 1 58 GLY 0.000 0.000 . 0 "[ ]" 1 59 ASP 3.125 1.548 1 1 [+] 1 60 VAL 0.025 0.012 1 0 "[ ]" 1 61 ILE 0.017 0.017 1 0 "[ ]" 1 62 LEU 0.113 0.087 1 0 "[ ]" 1 63 VAL 0.000 0.000 . 0 "[ ]" 1 66 LEU 0.000 0.000 . 0 "[ ]" 1 68 ARG 0.000 0.000 . 0 "[ ]" 1 69 LEU 0.273 0.273 1 0 "[ ]" 1 73 THR 0.000 0.000 . 0 "[ ]" 1 74 ALA 0.033 0.033 1 0 "[ ]" 1 75 ASP 0.000 0.000 . 0 "[ ]" 1 76 MET 0.000 0.000 . 0 "[ ]" 1 77 ILE 0.033 0.033 1 0 "[ ]" 1 78 GLN 0.027 0.027 1 0 "[ ]" 1 79 LEU 0.017 0.017 1 0 "[ ]" 1 80 ILE 0.000 0.000 . 0 "[ ]" 1 81 LYS 0.027 0.027 1 0 "[ ]" 1 82 GLU 0.017 0.017 1 0 "[ ]" 1 83 PHE 0.006 0.006 1 0 "[ ]" 1 84 ASP 0.050 0.035 1 0 "[ ]" 1 85 ALA 0.035 0.035 1 0 "[ ]" 1 86 GLN 0.118 0.051 1 0 "[ ]" 1 87 GLY 0.006 0.006 1 0 "[ ]" 1 88 VAL 0.069 0.030 1 0 "[ ]" 1 89 SER 0.072 0.030 1 0 "[ ]" 1 90 ILE 0.000 0.000 . 0 "[ ]" 1 91 ARG 0.025 0.016 1 0 "[ ]" 1 92 PHE 0.070 0.070 1 0 "[ ]" 1 93 ILE 0.000 0.000 . 0 "[ ]" 1 94 ASP 0.000 0.000 . 0 "[ ]" 1 95 ASP 0.070 0.070 1 0 "[ ]" 1 96 GLY 0.000 0.000 . 0 "[ ]" 1 97 ILE 0.170 0.087 1 0 "[ ]" 1 98 SER 0.000 0.000 . 0 "[ ]" 1 99 THR 0.000 0.000 . 0 "[ ]" 1 100 ASP 0.000 0.000 . 0 "[ ]" 1 101 GLY 0.000 0.000 . 0 "[ ]" 1 102 GLU 0.000 0.000 . 0 "[ ]" 1 103 MET 0.053 0.053 1 0 "[ ]" 1 104 GLY 0.000 0.000 . 0 "[ ]" 1 105 LYS 0.000 0.000 . 0 "[ ]" 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 1 MET HA 1 2 ARG H 2.570 . 3.340 2.247 2.247 2.247 . 0 0 "[ ]" 1 2 1 1 MET HA 1 59 ASP HA 2.970 . 4.140 2.652 2.652 2.652 . 0 0 "[ ]" 1 3 1 1 MET QB 1 2 ARG H 3.075 . 4.350 3.623 3.623 3.623 . 0 0 "[ ]" 1 4 1 1 MET QB 1 60 VAL QG 4.670 . 7.540 4.370 4.370 4.370 . 0 0 "[ ]" 1 5 1 1 MET HB2 1 2 ARG H 3.385 . 4.970 4.183 4.183 4.183 . 0 0 "[ ]" 1 6 1 1 MET HB2 1 59 ASP HA 3.400 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1 7 1 1 MET HB2 1 60 VAL MG1 5.475 . 9.150 5.728 5.728 5.728 . 0 0 "[ ]" 1 8 1 1 MET HB2 1 60 VAL MG2 5.475 . 9.150 5.353 5.353 5.353 . 0 0 "[ ]" 1 9 1 1 MET HB3 1 2 ARG H 3.385 . 4.970 3.969 3.969 3.969 . 0 0 "[ ]" 1 10 1 1 MET HB3 1 59 ASP HA 3.400 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1 11 1 1 MET HB3 1 60 VAL MG1 5.475 . 9.150 6.044 6.044 6.044 . 0 0 "[ ]" 1 12 1 1 MET HB3 1 60 VAL MG2 5.475 . 9.150 5.172 5.172 5.172 . 0 0 "[ ]" 1 13 1 1 MET ME 1 2 ARG HA 3.915 . 6.030 4.113 4.113 4.113 . 0 0 "[ ]" 1 14 1 1 MET ME 1 3 LEU HA 3.915 . 6.030 4.054 4.054 4.054 . 0 0 "[ ]" 1 15 1 1 MET ME 1 3 LEU QB 4.350 . 6.900 4.725 4.725 4.725 . 0 0 "[ ]" 1 16 1 1 MET ME 1 59 ASP HA 3.915 . 6.030 4.151 4.151 4.151 . 0 0 "[ ]" 1 17 1 1 MET ME 1 60 VAL HA 3.915 . 6.030 4.727 4.727 4.727 . 0 0 "[ ]" 1 18 1 1 MET ME 1 60 VAL HB 3.915 . 6.030 4.039 4.039 4.039 . 0 0 "[ ]" 1 19 1 1 MET ME 1 60 VAL MG1 4.430 . 7.060 2.315 2.315 2.315 . 0 0 "[ ]" 1 20 1 1 MET ME 1 60 VAL MG2 4.430 . 7.060 1.874 1.874 1.874 . 0 0 "[ ]" 1 21 1 1 MET QG 1 2 ARG H 3.685 . 5.570 2.210 2.210 2.210 . 0 0 "[ ]" 1 22 1 1 MET QG 1 2 ARG HA 3.840 . 5.880 3.609 3.609 3.609 . 0 0 "[ ]" 1 23 1 1 MET QG 1 2 ARG QB 4.275 . 6.750 4.335 4.335 4.335 . 0 0 "[ ]" 1 24 1 1 MET QG 1 56 GLU QB 4.275 . 6.750 5.329 5.329 5.329 . 0 0 "[ ]" 1 25 1 1 MET QG 1 60 VAL QG 3.535 . 5.270 2.682 2.682 2.682 . 0 0 "[ ]" 1 26 1 1 MET HG2 1 59 ASP HA 3.400 . 5.000 3.134 3.134 3.134 . 0 0 "[ ]" 1 27 1 1 MET HG2 1 60 VAL MG1 3.915 . 6.030 4.189 4.189 4.189 . 0 0 "[ ]" 1 28 1 1 MET HG2 1 60 VAL MG2 3.915 . 6.030 2.943 2.943 2.943 . 0 0 "[ ]" 1 29 1 1 MET HG3 1 59 ASP HA 3.400 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1 30 1 1 MET HG3 1 60 VAL MG1 3.915 . 6.030 3.755 3.755 3.755 . 0 0 "[ ]" 1 31 1 1 MET HG3 1 60 VAL MG2 3.915 . 6.030 3.441 3.441 3.441 . 0 0 "[ ]" 1 32 1 2 ARG H 1 2 ARG HB2 2.960 . 4.120 2.718 2.718 2.718 . 0 0 "[ ]" 1 33 1 2 ARG H 1 2 ARG HB3 2.960 . 4.120 3.706 3.706 3.706 . 0 0 "[ ]" 1 34 1 2 ARG H 1 2 ARG QD 3.840 . 5.880 4.080 4.080 4.080 . 0 0 "[ ]" 1 35 1 2 ARG H 1 3 LEU H 3.230 . 4.660 4.436 4.436 4.436 . 0 0 "[ ]" 1 36 1 2 ARG H 1 4 PHE QD 4.460 . 7.120 4.114 4.114 4.114 . 0 0 "[ ]" 1 37 1 2 ARG H 1 59 ASP HA 2.555 . 3.310 2.349 2.349 2.349 . 0 0 "[ ]" 1 38 1 2 ARG H 1 59 ASP QB 3.840 . 5.880 3.720 3.720 3.720 . 0 0 "[ ]" 1 39 1 2 ARG H 1 60 VAL H 2.700 . 3.600 3.072 3.072 3.072 . 0 0 "[ ]" 1 40 1 2 ARG HA 1 3 LEU H 2.375 . 2.950 2.492 2.492 2.492 . 0 0 "[ ]" 1 41 1 2 ARG HA 1 3 LEU HA 3.400 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1 42 1 2 ARG HA 1 4 PHE QD 4.460 . 7.120 5.006 5.006 5.006 . 0 0 "[ ]" 1 43 1 2 ARG HA 1 60 VAL QG 4.695 . 7.590 4.370 4.370 4.370 . 0 0 "[ ]" 1 44 1 2 ARG QB 1 3 LEU H 2.800 . 3.800 2.414 2.414 2.414 . 0 0 "[ ]" 1 45 1 2 ARG QB 1 3 LEU QB 4.280 . 6.760 4.484 4.484 4.484 . 0 0 "[ ]" 1 46 1 2 ARG HB2 1 3 LEU H 2.945 . 4.090 3.855 3.855 3.855 . 0 0 "[ ]" 1 47 1 2 ARG HB3 1 3 LEU H 2.945 . 4.090 2.439 2.439 2.439 . 0 0 "[ ]" 1 48 1 2 ARG QG 1 3 LEU H 3.840 . 5.880 3.207 3.207 3.207 . 0 0 "[ ]" 1 49 1 2 ARG QG 1 4 PHE QE 4.900 . 8.000 3.824 3.824 3.824 . 0 0 "[ ]" 1 50 1 2 ARG O 1 60 VAL H 2.000 . 2.300 2.306 2.306 2.306 0.006 1 0 "[ ]" 1 51 1 2 ARG O 1 60 VAL N 3.000 2.700 3.300 3.271 3.271 3.271 . 0 0 "[ ]" 1 52 1 3 LEU H 1 3 LEU MD1 3.915 . 6.030 1.979 1.979 1.979 . 0 0 "[ ]" 1 53 1 3 LEU H 1 3 LEU MD2 3.915 . 6.030 4.158 4.158 4.158 . 0 0 "[ ]" 1 54 1 3 LEU H 1 3 LEU HG 3.060 . 4.320 3.173 3.173 3.173 . 0 0 "[ ]" 1 55 1 3 LEU H 1 4 PHE H 2.970 . 4.140 3.857 3.857 3.857 . 0 0 "[ ]" 1 56 1 3 LEU H 1 4 PHE QD 4.460 . 7.120 4.389 4.389 4.389 . 0 0 "[ ]" 1 57 1 3 LEU H 1 29 LYS HD2 3.400 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1 58 1 3 LEU H 1 29 LYS HD3 3.400 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1 59 1 3 LEU H 1 29 LYS QG 3.840 . 5.880 5.208 5.208 5.208 . 0 0 "[ ]" 1 60 1 3 LEU H 1 32 ARG QD 3.710 . 5.620 2.730 2.730 2.730 . 0 0 "[ ]" 1 61 1 3 LEU H 1 32 ARG QG 3.695 . 5.590 4.447 4.447 4.447 . 0 0 "[ ]" 1 62 1 3 LEU HA 1 3 LEU MD1 3.210 . 4.620 3.437 3.437 3.437 . 0 0 "[ ]" 1 63 1 3 LEU HA 1 3 LEU QD 2.955 . 4.110 3.059 3.059 3.059 . 0 0 "[ ]" 1 64 1 3 LEU HA 1 3 LEU MD2 3.210 . 4.620 3.431 3.431 3.431 . 0 0 "[ ]" 1 65 1 3 LEU HA 1 3 LEU HG 2.830 . 3.860 2.402 2.402 2.402 . 0 0 "[ ]" 1 66 1 3 LEU HA 1 4 PHE H 2.375 . 2.950 2.359 2.359 2.359 . 0 0 "[ ]" 1 67 1 3 LEU HA 1 4 PHE QD 4.460 . 7.120 4.277 4.277 4.277 . 0 0 "[ ]" 1 68 1 3 LEU HA 1 28 VAL HA 3.400 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1 69 1 3 LEU HA 1 28 VAL QG 4.695 . 7.590 4.143 4.143 4.143 . 0 0 "[ ]" 1 70 1 3 LEU HA 1 60 VAL HB 3.245 . 4.690 4.258 4.258 4.258 . 0 0 "[ ]" 1 71 1 3 LEU HA 1 60 VAL MG1 3.915 . 6.030 4.796 4.796 4.796 . 0 0 "[ ]" 1 72 1 3 LEU HA 1 60 VAL QG 3.680 . 5.560 1.992 1.992 1.992 . 0 0 "[ ]" 1 73 1 3 LEU HA 1 60 VAL MG2 3.915 . 6.030 1.994 1.994 1.994 . 0 0 "[ ]" 1 74 1 3 LEU QB 1 4 PHE H 3.355 . 4.910 3.825 3.825 3.825 . 0 0 "[ ]" 1 75 1 3 LEU QB 1 28 VAL HA 3.840 . 5.880 2.133 2.133 2.133 . 0 0 "[ ]" 1 76 1 3 LEU QB 1 32 ARG QG 4.280 . 6.760 4.686 4.686 4.686 . 0 0 "[ ]" 1 77 1 3 LEU QD 1 29 LYS HA 4.700 . 7.600 4.424 4.424 4.424 . 0 0 "[ ]" 1 78 1 3 LEU QD 1 29 LYS QB 4.030 . 6.260 3.313 3.313 3.313 . 0 0 "[ ]" 1 79 1 3 LEU QD 1 29 LYS QE 5.135 . 8.470 3.881 3.881 3.881 . 0 0 "[ ]" 1 80 1 3 LEU MD1 1 28 VAL HA 3.915 . 6.030 4.244 4.244 4.244 . 0 0 "[ ]" 1 81 1 3 LEU MD1 1 29 LYS HB2 4.790 . 7.780 3.461 3.461 3.461 . 0 0 "[ ]" 1 82 1 3 LEU MD1 1 29 LYS HB3 4.790 . 7.780 4.834 4.834 4.834 . 0 0 "[ ]" 1 83 1 3 LEU MD2 1 28 VAL HA 3.915 . 6.030 3.362 3.362 3.362 . 0 0 "[ ]" 1 84 1 3 LEU MD2 1 29 LYS HB2 4.790 . 7.780 4.834 4.834 4.834 . 0 0 "[ ]" 1 85 1 3 LEU MD2 1 29 LYS HB3 4.790 . 7.780 6.213 6.213 6.213 . 0 0 "[ ]" 1 86 1 3 LEU HG 1 4 PHE H 3.400 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1 87 1 3 LEU HG 1 28 VAL HA 3.400 . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1 88 1 3 LEU O 1 29 LYS H 2.000 . 2.300 2.324 2.324 2.324 0.024 1 0 "[ ]" 1 89 1 3 LEU O 1 29 LYS N 3.000 2.700 3.300 3.291 3.291 3.291 . 0 0 "[ ]" 1 90 1 4 PHE H 1 28 VAL QG 4.475 . 7.150 4.041 4.041 4.041 . 0 0 "[ ]" 1 91 1 4 PHE H 1 32 ARG QB 3.840 . 5.880 4.353 4.353 4.353 . 0 0 "[ ]" 1 92 1 4 PHE H 1 60 VAL H 3.295 . 4.790 3.627 3.627 3.627 . 0 0 "[ ]" 1 93 1 4 PHE H 1 60 VAL QG 4.460 . 7.120 3.027 3.027 3.027 . 0 0 "[ ]" 1 94 1 4 PHE H 1 60 VAL O 2.000 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 1 95 1 4 PHE H 1 61 ILE HA 2.815 . 3.830 3.574 3.574 3.574 . 0 0 "[ ]" 1 96 1 4 PHE H 1 61 ILE QG 3.840 . 5.880 4.336 4.336 4.336 . 0 0 "[ ]" 1 97 1 4 PHE H 1 62 LEU H 3.205 . 4.610 4.081 4.081 4.081 . 0 0 "[ ]" 1 98 1 4 PHE HA 1 5 GLY H 2.700 . 3.600 2.284 2.284 2.284 . 0 0 "[ ]" 1 99 1 4 PHE HA 1 28 VAL MG1 3.915 . 6.030 3.057 3.057 3.057 . 0 0 "[ ]" 1 100 1 4 PHE HA 1 28 VAL MG2 3.915 . 6.030 4.483 4.483 4.483 . 0 0 "[ ]" 1 101 1 4 PHE HA 1 32 ARG HA 3.400 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1 102 1 4 PHE HA 1 32 ARG HB2 3.400 . 5.000 2.323 2.323 2.323 . 0 0 "[ ]" 1 103 1 4 PHE HA 1 32 ARG QB 3.330 . 4.860 2.169 2.169 2.169 . 0 0 "[ ]" 1 104 1 4 PHE HA 1 32 ARG HB3 3.400 . 5.000 2.601 2.601 2.601 . 0 0 "[ ]" 1 105 1 4 PHE HA 1 32 ARG HD2 3.400 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1 106 1 4 PHE HA 1 32 ARG HD3 3.400 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 1 107 1 4 PHE HA 1 32 ARG HG2 3.400 . 5.000 4.840 4.840 4.840 . 0 0 "[ ]" 1 108 1 4 PHE HA 1 32 ARG HG3 3.400 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1 109 1 4 PHE HA 1 51 LEU MD1 3.915 . 6.030 4.120 4.120 4.120 . 0 0 "[ ]" 1 110 1 4 PHE HB2 1 5 GLY H 3.245 . 4.690 4.161 4.161 4.161 . 0 0 "[ ]" 1 111 1 4 PHE HB2 1 51 LEU MD1 3.915 . 6.030 3.497 3.497 3.497 . 0 0 "[ ]" 1 112 1 4 PHE HB2 1 51 LEU MD2 3.915 . 6.030 3.887 3.887 3.887 . 0 0 "[ ]" 1 113 1 4 PHE HB2 1 55 VAL QG 4.695 . 7.590 3.287 3.287 3.287 . 0 0 "[ ]" 1 114 1 4 PHE HB2 1 61 ILE HA 3.400 . 5.000 2.798 2.798 2.798 . 0 0 "[ ]" 1 115 1 4 PHE HB2 1 61 ILE MG 3.915 . 6.030 3.844 3.844 3.844 . 0 0 "[ ]" 1 116 1 4 PHE HB3 1 5 GLY H 2.775 . 3.750 2.997 2.997 2.997 . 0 0 "[ ]" 1 117 1 4 PHE HB3 1 51 LEU MD1 3.915 . 6.030 2.125 2.125 2.125 . 0 0 "[ ]" 1 118 1 4 PHE HB3 1 51 LEU MD2 3.915 . 6.030 3.110 3.110 3.110 . 0 0 "[ ]" 1 119 1 4 PHE HB3 1 51 LEU HG 3.400 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1 120 1 4 PHE HB3 1 55 VAL QG 4.695 . 7.590 3.592 3.592 3.592 . 0 0 "[ ]" 1 121 1 4 PHE HB3 1 61 ILE MG 3.890 . 5.980 3.645 3.645 3.645 . 0 0 "[ ]" 1 122 1 4 PHE QD 1 5 GLY H 4.450 . 7.100 3.609 3.609 3.609 . 0 0 "[ ]" 1 123 1 4 PHE QD 1 32 ARG H 4.460 . 7.120 5.978 5.978 5.978 . 0 0 "[ ]" 1 124 1 4 PHE QD 1 32 ARG HA 4.460 . 7.120 3.965 3.965 3.965 . 0 0 "[ ]" 1 125 1 4 PHE QD 1 32 ARG HB2 4.460 . 7.120 3.845 3.845 3.845 . 0 0 "[ ]" 1 126 1 4 PHE QD 1 32 ARG HB3 4.460 . 7.120 2.626 2.626 2.626 . 0 0 "[ ]" 1 127 1 4 PHE QD 1 32 ARG HD2 4.460 . 7.120 4.395 4.395 4.395 . 0 0 "[ ]" 1 128 1 4 PHE QD 1 32 ARG HD3 4.460 . 7.120 3.234 3.234 3.234 . 0 0 "[ ]" 1 129 1 4 PHE QD 1 32 ARG HG2 4.460 . 7.120 4.807 4.807 4.807 . 0 0 "[ ]" 1 130 1 4 PHE QD 1 32 ARG HG3 4.460 . 7.120 5.255 5.255 5.255 . 0 0 "[ ]" 1 131 1 4 PHE QD 1 33 ILE HA 4.460 . 7.120 5.409 5.409 5.409 . 0 0 "[ ]" 1 132 1 4 PHE QD 1 51 LEU HA 4.460 . 7.120 4.686 4.686 4.686 . 0 0 "[ ]" 1 133 1 4 PHE QD 1 51 LEU MD1 4.675 . 7.550 2.369 2.369 2.369 . 0 0 "[ ]" 1 134 1 4 PHE QD 1 51 LEU MD2 4.975 . 8.150 4.288 4.288 4.288 . 0 0 "[ ]" 1 135 1 4 PHE QD 1 54 LYS HD2 4.460 . 7.120 5.187 5.187 5.187 . 0 0 "[ ]" 1 136 1 4 PHE QD 1 54 LYS HD3 4.460 . 7.120 5.415 5.415 5.415 . 0 0 "[ ]" 1 137 1 4 PHE QD 1 55 VAL HA 4.460 . 7.120 3.815 3.815 3.815 . 0 0 "[ ]" 1 138 1 4 PHE QD 1 55 VAL HB 4.460 . 7.120 4.949 4.949 4.949 . 0 0 "[ ]" 1 139 1 4 PHE QD 1 55 VAL MG1 4.975 . 8.150 3.617 3.617 3.617 . 0 0 "[ ]" 1 140 1 4 PHE QD 1 55 VAL QG 4.835 . 7.870 3.575 3.575 3.575 . 0 0 "[ ]" 1 141 1 4 PHE QD 1 55 VAL MG2 4.975 . 8.150 5.593 5.593 5.593 . 0 0 "[ ]" 1 142 1 4 PHE QD 1 59 ASP HA 4.460 . 7.120 4.662 4.662 4.662 . 0 0 "[ ]" 1 143 1 4 PHE QD 1 60 VAL H 4.460 . 7.120 3.907 3.907 3.907 . 0 0 "[ ]" 1 144 1 4 PHE QD 1 61 ILE HA 4.460 . 7.120 4.695 4.695 4.695 . 0 0 "[ ]" 1 145 1 4 PHE QD 1 61 ILE MD 4.975 . 8.150 5.318 5.318 5.318 . 0 0 "[ ]" 1 146 1 4 PHE QD 1 61 ILE MG 4.975 . 8.150 5.091 5.091 5.091 . 0 0 "[ ]" 1 147 1 4 PHE QE 1 51 LEU MD1 4.975 . 8.150 3.637 3.637 3.637 . 0 0 "[ ]" 1 148 1 4 PHE QE 1 51 LEU MD2 4.975 . 8.150 5.805 5.805 5.805 . 0 0 "[ ]" 1 149 1 4 PHE QE 1 55 VAL HA 4.460 . 7.120 3.549 3.549 3.549 . 0 0 "[ ]" 1 150 1 4 PHE N 1 60 VAL O 3.000 2.700 3.300 3.074 3.074 3.074 . 0 0 "[ ]" 1 151 1 4 PHE O 1 62 LEU H 2.000 . 2.300 1.871 1.871 1.871 . 0 0 "[ ]" 1 152 1 4 PHE O 1 62 LEU N 3.000 2.700 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 1 153 1 5 GLY H 1 6 TYR H 3.255 . 4.710 4.317 4.317 4.317 . 0 0 "[ ]" 1 154 1 5 GLY H 1 28 VAL MG1 3.370 . 4.940 2.488 2.488 2.488 . 0 0 "[ ]" 1 155 1 5 GLY H 1 28 VAL MG2 3.370 . 4.940 3.881 3.881 3.881 . 0 0 "[ ]" 1 156 1 5 GLY H 1 32 ARG HB2 3.400 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1 157 1 5 GLY H 1 32 ARG HB3 3.400 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1 158 1 5 GLY H 1 32 ARG O 2.000 . 2.300 2.248 2.248 2.248 . 0 0 "[ ]" 1 159 1 5 GLY H 1 33 ILE HA 2.790 . 3.780 3.295 3.295 3.295 . 0 0 "[ ]" 1 160 1 5 GLY H 1 34 PHE H 3.400 . 5.000 3.378 3.378 3.378 . 0 0 "[ ]" 1 161 1 5 GLY H 1 34 PHE QD 4.460 . 7.120 4.042 4.042 4.042 . 0 0 "[ ]" 1 162 1 5 GLY H 1 51 LEU MD1 3.915 . 6.030 3.750 3.750 3.750 . 0 0 "[ ]" 1 163 1 5 GLY H 1 51 LEU MD2 3.915 . 6.030 4.721 4.721 4.721 . 0 0 "[ ]" 1 164 1 5 GLY QA 1 23 LEU QD 3.655 . 5.510 2.228 2.228 2.228 . 0 0 "[ ]" 1 165 1 5 GLY QA 1 28 VAL QG 3.650 . 5.500 1.772 1.772 1.772 0.028 1 0 "[ ]" 1 166 1 5 GLY QA 1 33 ILE HA 3.840 . 5.880 3.754 3.754 3.754 . 0 0 "[ ]" 1 167 1 5 GLY QA 1 33 ILE MD 4.355 . 6.910 3.086 3.086 3.086 . 0 0 "[ ]" 1 168 1 5 GLY QA 1 61 ILE MG 4.355 . 6.910 3.612 3.612 3.612 . 0 0 "[ ]" 1 169 1 5 GLY HA2 1 6 TYR H 2.685 . 3.570 2.175 2.175 2.175 . 0 0 "[ ]" 1 170 1 5 GLY HA2 1 23 LEU MD1 3.915 . 6.030 3.523 3.523 3.523 . 0 0 "[ ]" 1 171 1 5 GLY HA2 1 23 LEU MD2 3.915 . 6.030 4.045 4.045 4.045 . 0 0 "[ ]" 1 172 1 5 GLY HA2 1 28 VAL MG1 3.915 . 6.030 2.986 2.986 2.986 . 0 0 "[ ]" 1 173 1 5 GLY HA2 1 28 VAL MG2 3.915 . 6.030 2.684 2.684 2.684 . 0 0 "[ ]" 1 174 1 5 GLY HA3 1 6 TYR H 2.685 . 3.570 3.178 3.178 3.178 . 0 0 "[ ]" 1 175 1 5 GLY HA3 1 23 LEU MD1 3.915 . 6.030 2.288 2.288 2.288 . 0 0 "[ ]" 1 176 1 5 GLY HA3 1 23 LEU MD2 3.915 . 6.030 3.620 3.620 3.620 . 0 0 "[ ]" 1 177 1 5 GLY HA3 1 28 VAL MG1 3.915 . 6.030 1.870 1.870 1.870 . 0 0 "[ ]" 1 178 1 5 GLY HA3 1 28 VAL MG2 3.915 . 6.030 2.429 2.429 2.429 . 0 0 "[ ]" 1 179 1 5 GLY N 1 32 ARG O 3.000 2.700 3.300 3.133 3.133 3.133 . 0 0 "[ ]" 1 180 1 5 GLY O 1 34 PHE H 2.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 1 181 1 5 GLY O 1 34 PHE N 3.000 2.700 3.300 3.041 3.041 3.041 . 0 0 "[ ]" 1 182 1 6 TYR H 1 23 LEU MD1 3.355 . 4.910 3.517 3.517 3.517 . 0 0 "[ ]" 1 183 1 6 TYR H 1 23 LEU MD2 3.355 . 4.910 3.715 3.715 3.715 . 0 0 "[ ]" 1 184 1 6 TYR H 1 51 LEU MD1 3.915 . 6.030 4.862 4.862 4.862 . 0 0 "[ ]" 1 185 1 6 TYR H 1 61 ILE MG 3.705 . 5.610 3.376 3.376 3.376 . 0 0 "[ ]" 1 186 1 6 TYR H 1 62 LEU O 2.000 . 2.300 2.224 2.224 2.224 . 0 0 "[ ]" 1 187 1 6 TYR H 1 63 VAL QG 4.695 . 7.590 3.341 3.341 3.341 . 0 0 "[ ]" 1 188 1 6 TYR HA 1 7 ALA H 2.595 . 3.390 2.243 2.243 2.243 . 0 0 "[ ]" 1 189 1 6 TYR HA 1 7 ALA MB 3.850 . 5.900 3.920 3.920 3.920 . 0 0 "[ ]" 1 190 1 6 TYR HA 1 23 LEU QD 4.700 . 7.600 3.588 3.588 3.588 . 0 0 "[ ]" 1 191 1 6 TYR HA 1 33 ILE MG 3.915 . 6.030 4.779 4.779 4.779 . 0 0 "[ ]" 1 192 1 6 TYR HA 1 34 PHE H 2.815 . 3.830 3.581 3.581 3.581 . 0 0 "[ ]" 1 193 1 6 TYR HA 1 35 THR HA 3.010 . 4.220 4.158 4.158 4.158 . 0 0 "[ ]" 1 194 1 6 TYR HA 1 51 LEU MD1 3.915 . 6.030 3.965 3.965 3.965 . 0 0 "[ ]" 1 195 1 6 TYR HA 1 51 LEU MD2 3.915 . 6.030 3.763 3.763 3.763 . 0 0 "[ ]" 1 196 1 6 TYR HA 1 61 ILE MG 3.915 . 6.030 4.610 4.610 4.610 . 0 0 "[ ]" 1 197 1 6 TYR HA 1 63 VAL QG 4.695 . 7.590 4.696 4.696 4.696 . 0 0 "[ ]" 1 198 1 6 TYR QB 1 48 LEU QD 4.675 . 7.550 4.803 4.803 4.803 . 0 0 "[ ]" 1 199 1 6 TYR QB 1 51 LEU MD1 4.355 . 6.910 3.859 3.859 3.859 . 0 0 "[ ]" 1 200 1 6 TYR QB 1 63 VAL QG 4.560 . 7.320 2.355 2.355 2.355 . 0 0 "[ ]" 1 201 1 6 TYR HB2 1 48 LEU MD1 5.485 . 9.170 6.350 6.350 6.350 . 0 0 "[ ]" 1 202 1 6 TYR HB2 1 48 LEU MD2 5.485 . 9.170 5.568 5.568 5.568 . 0 0 "[ ]" 1 203 1 6 TYR HB2 1 51 LEU MD2 3.915 . 6.030 2.509 2.509 2.509 . 0 0 "[ ]" 1 204 1 6 TYR HB2 1 61 ILE MG 3.915 . 6.030 3.021 3.021 3.021 . 0 0 "[ ]" 1 205 1 6 TYR HB2 1 63 VAL MG1 5.475 . 9.150 4.409 4.409 4.409 . 0 0 "[ ]" 1 206 1 6 TYR HB2 1 63 VAL MG2 5.475 . 9.150 3.408 3.408 3.408 . 0 0 "[ ]" 1 207 1 6 TYR HB3 1 48 LEU MD1 5.485 . 9.170 7.033 7.033 7.033 . 0 0 "[ ]" 1 208 1 6 TYR HB3 1 48 LEU MD2 5.485 . 9.170 5.872 5.872 5.872 . 0 0 "[ ]" 1 209 1 6 TYR HB3 1 51 LEU MD2 3.915 . 6.030 3.946 3.946 3.946 . 0 0 "[ ]" 1 210 1 6 TYR HB3 1 61 ILE MG 3.915 . 6.030 3.546 3.546 3.546 . 0 0 "[ ]" 1 211 1 6 TYR HB3 1 63 VAL MG1 5.475 . 9.150 2.988 2.988 2.988 . 0 0 "[ ]" 1 212 1 6 TYR HB3 1 63 VAL MG2 5.475 . 9.150 2.544 2.544 2.544 . 0 0 "[ ]" 1 213 1 6 TYR QD 1 7 ALA H 4.470 . 7.140 2.700 2.700 2.700 . 0 0 "[ ]" 1 214 1 6 TYR QD 1 7 ALA MB 4.985 . 8.170 4.610 4.610 4.610 . 0 0 "[ ]" 1 215 1 6 TYR QD 1 8 ARG QD 4.910 . 8.020 5.657 5.657 5.657 . 0 0 "[ ]" 1 216 1 6 TYR QD 1 34 PHE HA 4.470 . 7.140 5.029 5.029 5.029 . 0 0 "[ ]" 1 217 1 6 TYR QD 1 34 PHE HB2 4.470 . 7.140 3.311 3.311 3.311 . 0 0 "[ ]" 1 218 1 6 TYR QD 1 34 PHE HB3 4.470 . 7.140 3.033 3.033 3.033 . 0 0 "[ ]" 1 219 1 6 TYR QD 1 35 THR H 4.470 . 7.140 5.406 5.406 5.406 . 0 0 "[ ]" 1 220 1 6 TYR QD 1 35 THR HA 4.470 . 7.140 4.230 4.230 4.230 . 0 0 "[ ]" 1 221 1 6 TYR QD 1 47 GLY QA 4.910 . 8.020 2.699 2.699 2.699 . 0 0 "[ ]" 1 222 1 6 TYR QD 1 48 LEU H 4.470 . 7.140 3.450 3.450 3.450 . 0 0 "[ ]" 1 223 1 6 TYR QD 1 48 LEU HA 4.470 . 7.140 4.129 4.129 4.129 . 0 0 "[ ]" 1 224 1 6 TYR QD 1 48 LEU MD1 4.985 . 8.170 4.758 4.758 4.758 . 0 0 "[ ]" 1 225 1 6 TYR QD 1 48 LEU MD2 4.985 . 8.170 4.295 4.295 4.295 . 0 0 "[ ]" 1 226 1 6 TYR QD 1 51 LEU MD1 4.985 . 8.170 3.997 3.997 3.997 . 0 0 "[ ]" 1 227 1 6 TYR QD 1 51 LEU MD2 4.985 . 8.170 3.471 3.471 3.471 . 0 0 "[ ]" 1 228 1 6 TYR QD 1 51 LEU HG 4.470 . 7.140 6.155 6.155 6.155 . 0 0 "[ ]" 1 229 1 6 TYR QD 1 61 ILE MG 4.985 . 8.170 4.450 4.450 4.450 . 0 0 "[ ]" 1 230 1 6 TYR QD 1 63 VAL MG1 4.985 . 8.170 2.583 2.583 2.583 . 0 0 "[ ]" 1 231 1 6 TYR QD 1 63 VAL MG2 4.985 . 8.170 3.274 3.274 3.274 . 0 0 "[ ]" 1 232 1 6 TYR QD 1 69 LEU HA 4.470 . 7.140 4.929 4.929 4.929 . 0 0 "[ ]" 1 233 1 6 TYR QD 1 69 LEU MD1 4.985 . 8.170 2.752 2.752 2.752 . 0 0 "[ ]" 1 234 1 6 TYR QD 1 69 LEU MD2 4.985 . 8.170 4.411 4.411 4.411 . 0 0 "[ ]" 1 235 1 6 TYR QE 1 8 ARG HA 4.465 . 7.130 5.248 5.248 5.248 . 0 0 "[ ]" 1 236 1 6 TYR QE 1 8 ARG HB2 4.465 . 7.130 3.781 3.781 3.781 . 0 0 "[ ]" 1 237 1 6 TYR QE 1 8 ARG HB3 4.465 . 7.130 4.706 4.706 4.706 . 0 0 "[ ]" 1 238 1 6 TYR QE 1 8 ARG QD 4.905 . 8.010 3.995 3.995 3.995 . 0 0 "[ ]" 1 239 1 6 TYR QE 1 35 THR HA 4.465 . 7.130 4.623 4.623 4.623 . 0 0 "[ ]" 1 240 1 6 TYR QE 1 47 GLY QA 4.905 . 8.010 1.999 1.999 1.999 . 0 0 "[ ]" 1 241 1 6 TYR QE 1 48 LEU H 4.465 . 7.130 2.102 2.102 2.102 . 0 0 "[ ]" 1 242 1 6 TYR QE 1 48 LEU HA 4.465 . 7.130 4.379 4.379 4.379 . 0 0 "[ ]" 1 243 1 6 TYR QE 1 48 LEU HB2 4.465 . 7.130 5.074 5.074 5.074 . 0 0 "[ ]" 1 244 1 6 TYR QE 1 48 LEU HB3 4.465 . 7.130 4.234 4.234 4.234 . 0 0 "[ ]" 1 245 1 6 TYR QE 1 48 LEU MD1 4.980 . 8.160 3.284 3.284 3.284 . 0 0 "[ ]" 1 246 1 6 TYR QE 1 48 LEU QD 4.800 . 7.800 2.909 2.909 2.909 . 0 0 "[ ]" 1 247 1 6 TYR QE 1 48 LEU MD2 4.980 . 8.160 3.248 3.248 3.248 . 0 0 "[ ]" 1 248 1 6 TYR QE 1 48 LEU HG 4.465 . 7.130 2.667 2.667 2.667 . 0 0 "[ ]" 1 249 1 6 TYR QE 1 51 LEU MD1 4.980 . 8.160 5.543 5.543 5.543 . 0 0 "[ ]" 1 250 1 6 TYR QE 1 51 LEU MD2 4.980 . 8.160 4.905 4.905 4.905 . 0 0 "[ ]" 1 251 1 6 TYR QE 1 63 VAL QG 5.760 . 9.720 3.956 3.956 3.956 . 0 0 "[ ]" 1 252 1 6 TYR QE 1 69 LEU HA 4.465 . 7.130 3.619 3.619 3.619 . 0 0 "[ ]" 1 253 1 6 TYR QE 1 69 LEU MD1 4.980 . 8.160 2.630 2.630 2.630 . 0 0 "[ ]" 1 254 1 6 TYR QE 1 69 LEU MD2 4.980 . 8.160 4.439 4.439 4.439 . 0 0 "[ ]" 1 255 1 6 TYR N 1 62 LEU O 3.000 2.700 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 1 256 1 7 ALA H 1 34 PHE O 2.000 . 2.300 2.229 2.229 2.229 . 0 0 "[ ]" 1 257 1 7 ALA H 1 35 THR HA 2.800 . 3.800 2.211 2.211 2.211 . 0 0 "[ ]" 1 258 1 7 ALA HA 1 8 ARG H 2.515 . 3.230 2.344 2.344 2.344 . 0 0 "[ ]" 1 259 1 7 ALA HA 1 8 ARG QB 3.685 . 5.570 3.990 3.990 3.990 . 0 0 "[ ]" 1 260 1 7 ALA HA 1 23 LEU MD1 3.915 . 6.030 3.162 3.162 3.162 . 0 0 "[ ]" 1 261 1 7 ALA HA 1 23 LEU QD 3.770 . 5.740 2.777 2.777 2.777 . 0 0 "[ ]" 1 262 1 7 ALA HA 1 23 LEU MD2 3.915 . 6.030 3.077 3.077 3.077 . 0 0 "[ ]" 1 263 1 7 ALA HA 1 23 LEU HG 3.400 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1 264 1 7 ALA HA 1 35 THR HA 3.400 . 5.000 3.871 3.871 3.871 . 0 0 "[ ]" 1 265 1 7 ALA MB 1 8 ARG HA 3.915 . 6.030 3.792 3.792 3.792 . 0 0 "[ ]" 1 266 1 7 ALA MB 1 16 LEU QB 4.355 . 6.910 4.954 4.954 4.954 . 0 0 "[ ]" 1 267 1 7 ALA MB 1 19 GLN HA 3.915 . 6.030 4.151 4.151 4.151 . 0 0 "[ ]" 1 268 1 7 ALA MB 1 19 GLN HB2 3.575 . 5.350 3.005 3.005 3.005 . 0 0 "[ ]" 1 269 1 7 ALA MB 1 19 GLN QB 3.470 . 5.140 2.028 2.028 2.028 . 0 0 "[ ]" 1 270 1 7 ALA MB 1 19 GLN HB3 3.575 . 5.350 2.061 2.061 2.061 . 0 0 "[ ]" 1 271 1 7 ALA MB 1 19 GLN HG2 3.915 . 6.030 4.281 4.281 4.281 . 0 0 "[ ]" 1 272 1 7 ALA MB 1 19 GLN QG 3.715 . 5.630 3.300 3.300 3.300 . 0 0 "[ ]" 1 273 1 7 ALA MB 1 19 GLN HG3 3.915 . 6.030 3.432 3.432 3.432 . 0 0 "[ ]" 1 274 1 7 ALA MB 1 20 VAL H 3.915 . 6.030 3.912 3.912 3.912 . 0 0 "[ ]" 1 275 1 7 ALA MB 1 20 VAL HA 3.915 . 6.030 3.765 3.765 3.765 . 0 0 "[ ]" 1 276 1 7 ALA MB 1 20 VAL MG2 3.415 . 5.030 3.377 3.377 3.377 . 0 0 "[ ]" 1 277 1 7 ALA MB 1 22 ALA MB 4.430 . 7.060 4.579 4.579 4.579 . 0 0 "[ ]" 1 278 1 7 ALA MB 1 23 LEU MD1 4.170 . 6.540 1.860 1.860 1.860 . 0 0 "[ ]" 1 279 1 7 ALA MB 1 23 LEU QD 4.010 . 6.220 1.811 1.811 1.811 . 0 0 "[ ]" 1 280 1 7 ALA MB 1 23 LEU MD2 4.170 . 6.540 2.492 2.492 2.492 . 0 0 "[ ]" 1 281 1 7 ALA MB 1 23 LEU HG 3.915 . 6.030 3.102 3.102 3.102 . 0 0 "[ ]" 1 282 1 7 ALA MB 1 33 ILE MD 4.430 . 7.060 4.017 4.017 4.017 . 0 0 "[ ]" 1 283 1 7 ALA MB 1 33 ILE MG 4.430 . 7.060 2.702 2.702 2.702 . 0 0 "[ ]" 1 284 1 7 ALA MB 1 35 THR HA 3.915 . 6.030 2.067 2.067 2.067 . 0 0 "[ ]" 1 285 1 7 ALA MB 1 35 THR HB 3.915 . 6.030 2.252 2.252 2.252 . 0 0 "[ ]" 1 286 1 7 ALA N 1 34 PHE O 3.000 2.700 3.300 3.194 3.194 3.194 . 0 0 "[ ]" 1 287 1 7 ALA O 1 36 ASP H 2.000 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 1 288 1 7 ALA O 1 36 ASP N 3.000 2.700 3.300 2.653 2.653 2.653 0.047 1 0 "[ ]" 1 289 1 8 ARG H 1 8 ARG QG 3.840 . 5.880 4.156 4.156 4.156 . 0 0 "[ ]" 1 290 1 8 ARG H 1 9 VAL H 3.400 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1 291 1 8 ARG H 1 9 VAL QG 4.615 . 7.430 4.229 4.229 4.229 . 0 0 "[ ]" 1 292 1 8 ARG HA 1 8 ARG QD 3.840 . 5.880 3.582 3.582 3.582 . 0 0 "[ ]" 1 293 1 8 ARG HA 1 9 VAL H 2.605 . 3.410 2.224 2.224 2.224 . 0 0 "[ ]" 1 294 1 8 ARG HA 1 9 VAL QG 4.695 . 7.590 3.357 3.357 3.357 . 0 0 "[ ]" 1 295 1 8 ARG HA 1 35 THR HA 3.400 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1 296 1 8 ARG HA 1 38 ALA MB 3.915 . 6.030 4.232 4.232 4.232 . 0 0 "[ ]" 1 297 1 8 ARG QB 1 8 ARG QD 2.725 . 3.650 2.164 2.164 2.164 . 0 0 "[ ]" 1 298 1 8 ARG HB2 1 8 ARG QD 2.875 . 3.950 2.204 2.204 2.204 . 0 0 "[ ]" 1 299 1 8 ARG HB2 1 9 VAL H 3.400 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1 300 1 8 ARG HB3 1 8 ARG QD 2.875 . 3.950 3.151 3.151 3.151 . 0 0 "[ ]" 1 301 1 8 ARG HB3 1 9 VAL H 3.400 . 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 1 302 1 8 ARG QD 1 36 ASP H 3.840 . 5.880 4.874 4.874 4.874 . 0 0 "[ ]" 1 303 1 8 ARG QD 1 36 ASP HB2 3.840 . 5.880 2.601 2.601 2.601 . 0 0 "[ ]" 1 304 1 8 ARG QD 1 36 ASP HB3 3.840 . 5.880 2.681 2.681 2.681 . 0 0 "[ ]" 1 305 1 8 ARG QD 1 38 ALA HA 3.435 . 5.070 4.363 4.363 4.363 . 0 0 "[ ]" 1 306 1 8 ARG QD 1 38 ALA MB 4.350 . 6.900 2.390 2.390 2.390 . 0 0 "[ ]" 1 307 1 8 ARG QD 1 44 ASP QB 4.275 . 6.750 4.900 4.900 4.900 . 0 0 "[ ]" 1 308 1 8 ARG QD 1 45 ARG H 3.840 . 5.880 5.297 5.297 5.297 . 0 0 "[ ]" 1 309 1 8 ARG QD 1 45 ARG HA 3.840 . 5.880 3.904 3.904 3.904 . 0 0 "[ ]" 1 310 1 8 ARG QD 1 48 LEU QD 5.135 . 8.470 4.392 4.392 4.392 . 0 0 "[ ]" 1 311 1 8 ARG QG 1 9 VAL H 3.840 . 5.880 2.564 2.564 2.564 . 0 0 "[ ]" 1 312 1 8 ARG QG 1 9 VAL QG 5.130 . 8.460 3.215 3.215 3.215 . 0 0 "[ ]" 1 313 1 8 ARG QG 1 36 ASP H 3.840 . 5.880 3.937 3.937 3.937 . 0 0 "[ ]" 1 314 1 8 ARG QG 1 36 ASP HB2 3.840 . 5.880 2.529 2.529 2.529 . 0 0 "[ ]" 1 315 1 8 ARG QG 1 36 ASP HB3 3.840 . 5.880 2.595 2.595 2.595 . 0 0 "[ ]" 1 316 1 8 ARG QG 1 38 ALA HA 3.840 . 5.880 4.347 4.347 4.347 . 0 0 "[ ]" 1 317 1 8 ARG QG 1 44 ASP QB 4.275 . 6.750 4.995 4.995 4.995 . 0 0 "[ ]" 1 318 1 9 VAL H 1 9 VAL MG1 3.340 . 4.880 2.365 2.365 2.365 . 0 0 "[ ]" 1 319 1 9 VAL H 1 9 VAL MG2 3.340 . 4.880 1.950 1.950 1.950 . 0 0 "[ ]" 1 320 1 9 VAL HA 1 10 SER H 2.400 . 3.000 2.235 2.235 2.235 . 0 0 "[ ]" 1 321 1 9 VAL HA 1 10 SER HA 3.400 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1 322 1 9 VAL HA 1 38 ALA MB 3.915 . 6.030 4.812 4.812 4.812 . 0 0 "[ ]" 1 323 1 9 VAL HB 1 10 SER H 2.570 . 3.340 2.886 2.886 2.886 . 0 0 "[ ]" 1 324 1 9 VAL HB 1 11 THR MG 3.915 . 6.030 3.797 3.797 3.797 . 0 0 "[ ]" 1 325 1 9 VAL HB 1 15 SER QB 3.840 . 5.880 2.087 2.087 2.087 . 0 0 "[ ]" 1 326 1 9 VAL HB 1 16 LEU HA 3.285 . 4.770 4.762 4.762 4.762 . 0 0 "[ ]" 1 327 1 9 VAL HB 1 16 LEU QB 3.840 . 5.880 4.261 4.261 4.261 . 0 0 "[ ]" 1 328 1 9 VAL HB 1 37 LYS HA 3.400 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1 329 1 9 VAL HB 1 38 ALA MB 3.915 . 6.030 4.745 4.745 4.745 . 0 0 "[ ]" 1 330 1 9 VAL QG 1 10 SER H 3.810 . 5.820 3.397 3.397 3.397 . 0 0 "[ ]" 1 331 1 9 VAL QG 1 10 SER HA 4.695 . 7.590 3.885 3.885 3.885 . 0 0 "[ ]" 1 332 1 9 VAL QG 1 11 THR H 4.695 . 7.590 4.242 4.242 4.242 . 0 0 "[ ]" 1 333 1 9 VAL QG 1 11 THR HA 4.695 . 7.590 5.571 5.571 5.571 . 0 0 "[ ]" 1 334 1 9 VAL QG 1 15 SER QB 3.625 . 5.450 2.110 2.110 2.110 . 0 0 "[ ]" 1 335 1 9 VAL QG 1 16 LEU HA 3.680 . 5.560 2.184 2.184 2.184 . 0 0 "[ ]" 1 336 1 9 VAL QG 1 16 LEU QB 4.345 . 6.890 1.959 1.959 1.959 . 0 0 "[ ]" 1 337 1 9 VAL QG 1 19 GLN QB 4.515 . 7.230 3.376 3.376 3.376 . 0 0 "[ ]" 1 338 1 9 VAL QG 1 19 GLN QG 3.960 . 6.120 2.866 2.866 2.866 . 0 0 "[ ]" 1 339 1 9 VAL QG 1 35 THR HA 4.695 . 7.590 5.173 5.173 5.173 . 0 0 "[ ]" 1 340 1 9 VAL QG 1 35 THR MG 4.650 . 7.500 3.938 3.938 3.938 . 0 0 "[ ]" 1 341 1 9 VAL QG 1 37 LYS H 4.695 . 7.590 3.989 3.989 3.989 . 0 0 "[ ]" 1 342 1 9 VAL QG 1 37 LYS HA 3.565 . 5.330 1.905 1.905 1.905 . 0 0 "[ ]" 1 343 1 9 VAL QG 1 37 LYS QB 5.135 . 8.470 3.260 3.260 3.260 . 0 0 "[ ]" 1 344 1 9 VAL QG 1 37 LYS QE 5.130 . 8.460 3.563 3.563 3.563 . 0 0 "[ ]" 1 345 1 9 VAL QG 1 38 ALA H 3.990 . 6.180 1.935 1.935 1.935 . 0 0 "[ ]" 1 346 1 9 VAL QG 1 38 ALA HA 4.695 . 7.590 3.965 3.965 3.965 . 0 0 "[ ]" 1 347 1 9 VAL QG 1 39 SER H 4.695 . 7.590 1.921 1.921 1.921 . 0 0 "[ ]" 1 348 1 9 VAL MG1 1 15 SER HB2 3.915 . 6.030 2.139 2.139 2.139 . 0 0 "[ ]" 1 349 1 9 VAL MG1 1 15 SER HB3 3.915 . 6.030 3.655 3.655 3.655 . 0 0 "[ ]" 1 350 1 9 VAL MG1 1 16 LEU HA 3.915 . 6.030 2.187 2.187 2.187 . 0 0 "[ ]" 1 351 1 9 VAL MG1 1 16 LEU HB2 5.240 . 8.680 2.000 2.000 2.000 . 0 0 "[ ]" 1 352 1 9 VAL MG1 1 16 LEU HB3 5.240 . 8.680 2.915 2.915 2.915 . 0 0 "[ ]" 1 353 1 9 VAL MG1 1 19 GLN HB2 5.475 . 9.150 3.507 3.507 3.507 . 0 0 "[ ]" 1 354 1 9 VAL MG1 1 19 GLN HB3 5.475 . 9.150 4.577 4.577 4.577 . 0 0 "[ ]" 1 355 1 9 VAL MG1 1 19 GLN HG2 4.790 . 7.780 4.219 4.219 4.219 . 0 0 "[ ]" 1 356 1 9 VAL MG1 1 19 GLN HG3 4.790 . 7.780 2.936 2.936 2.936 . 0 0 "[ ]" 1 357 1 9 VAL MG1 1 36 ASP H 3.915 . 6.030 3.783 3.783 3.783 . 0 0 "[ ]" 1 358 1 9 VAL MG1 1 37 LYS HA 3.915 . 6.030 2.817 2.817 2.817 . 0 0 "[ ]" 1 359 1 9 VAL MG1 1 38 ALA MB 4.430 . 7.060 4.521 4.521 4.521 . 0 0 "[ ]" 1 360 1 9 VAL MG2 1 15 SER HB2 3.915 . 6.030 3.717 3.717 3.717 . 0 0 "[ ]" 1 361 1 9 VAL MG2 1 15 SER HB3 3.915 . 6.030 4.845 4.845 4.845 . 0 0 "[ ]" 1 362 1 9 VAL MG2 1 16 LEU HA 3.915 . 6.030 4.723 4.723 4.723 . 0 0 "[ ]" 1 363 1 9 VAL MG2 1 16 LEU HB2 5.240 . 8.680 3.730 3.730 3.730 . 0 0 "[ ]" 1 364 1 9 VAL MG2 1 16 LEU HB3 5.240 . 8.680 4.850 4.850 4.850 . 0 0 "[ ]" 1 365 1 9 VAL MG2 1 19 GLN HB2 5.475 . 9.150 6.108 6.108 6.108 . 0 0 "[ ]" 1 366 1 9 VAL MG2 1 19 GLN HB3 5.475 . 9.150 6.880 6.880 6.880 . 0 0 "[ ]" 1 367 1 9 VAL MG2 1 19 GLN HG2 4.790 . 7.780 6.439 6.439 6.439 . 0 0 "[ ]" 1 368 1 9 VAL MG2 1 19 GLN HG3 4.790 . 7.780 5.185 5.185 5.185 . 0 0 "[ ]" 1 369 1 9 VAL MG2 1 36 ASP H 3.915 . 6.030 4.540 4.540 4.540 . 0 0 "[ ]" 1 370 1 9 VAL MG2 1 37 LYS HA 3.915 . 6.030 1.937 1.937 1.937 . 0 0 "[ ]" 1 371 1 9 VAL MG2 1 38 ALA MB 4.430 . 7.060 2.503 2.503 2.503 . 0 0 "[ ]" 1 372 1 10 SER H 1 11 THR H 2.815 . 3.830 1.963 1.963 1.963 . 0 0 "[ ]" 1 373 1 10 SER H 1 15 SER HB2 3.400 . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 1 374 1 10 SER H 1 15 SER HB3 3.400 . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1 375 1 10 SER HA 1 11 THR HA 3.360 . 4.920 4.687 4.687 4.687 . 0 0 "[ ]" 1 376 1 10 SER HA 1 38 ALA MB 3.185 . 4.570 3.627 3.627 3.627 . 0 0 "[ ]" 1 377 1 10 SER QB 1 38 ALA MB 4.355 . 6.910 4.948 4.948 4.948 . 0 0 "[ ]" 1 378 1 10 SER HB2 1 66 LEU MD1 3.915 . 6.030 5.026 5.026 5.026 . 0 0 "[ ]" 1 379 1 10 SER HB2 1 66 LEU MD2 3.915 . 6.030 3.022 3.022 3.022 . 0 0 "[ ]" 1 380 1 10 SER HB3 1 66 LEU MD1 3.915 . 6.030 4.913 4.913 4.913 . 0 0 "[ ]" 1 381 1 10 SER HB3 1 66 LEU MD2 3.915 . 6.030 3.210 3.210 3.210 . 0 0 "[ ]" 1 382 1 11 THR H 1 11 THR HB 2.945 . 4.090 2.775 2.775 2.775 . 0 0 "[ ]" 1 383 1 11 THR H 1 12 SER H 3.400 . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 1 384 1 11 THR H 1 15 SER HB2 3.230 . 4.660 3.620 3.620 3.620 . 0 0 "[ ]" 1 385 1 11 THR H 1 15 SER QB 2.950 . 4.100 2.676 2.676 2.676 . 0 0 "[ ]" 1 386 1 11 THR H 1 15 SER HB3 3.230 . 4.660 2.757 2.757 2.757 . 0 0 "[ ]" 1 387 1 11 THR HA 1 12 SER QB 3.840 . 5.880 4.247 4.247 4.247 . 0 0 "[ ]" 1 388 1 11 THR HB 1 18 ILE MD 3.915 . 6.030 5.063 5.063 5.063 . 0 0 "[ ]" 1 389 1 11 THR MG 1 12 SER H 3.915 . 6.030 3.316 3.316 3.316 . 0 0 "[ ]" 1 390 1 11 THR MG 1 12 SER HA 3.915 . 6.030 3.874 3.874 3.874 . 0 0 "[ ]" 1 391 1 11 THR MG 1 12 SER QB 4.355 . 6.910 4.782 4.782 4.782 . 0 0 "[ ]" 1 392 1 11 THR MG 1 13 GLN QB 4.350 . 6.900 2.890 2.890 2.890 . 0 0 "[ ]" 1 393 1 11 THR MG 1 14 GLN QB 4.350 . 6.900 5.029 5.029 5.029 . 0 0 "[ ]" 1 394 1 11 THR MG 1 14 GLN QG 4.350 . 6.900 3.922 3.922 3.922 . 0 0 "[ ]" 1 395 1 11 THR MG 1 15 SER HA 3.720 . 5.640 2.981 2.981 2.981 . 0 0 "[ ]" 1 396 1 11 THR MG 1 15 SER HB2 3.370 . 4.940 3.267 3.267 3.267 . 0 0 "[ ]" 1 397 1 11 THR MG 1 15 SER QB 3.220 . 4.640 2.014 2.014 2.014 . 0 0 "[ ]" 1 398 1 11 THR MG 1 15 SER HB3 3.370 . 4.940 2.033 2.033 2.033 . 0 0 "[ ]" 1 399 1 11 THR MG 1 18 ILE HB 3.630 . 5.460 4.599 4.599 4.599 . 0 0 "[ ]" 1 400 1 11 THR MG 1 18 ILE MD 3.545 . 5.290 2.931 2.931 2.931 . 0 0 "[ ]" 1 401 1 11 THR MG 1 66 LEU MD1 4.430 . 7.060 4.601 4.601 4.601 . 0 0 "[ ]" 1 402 1 11 THR MG 1 66 LEU MD2 4.430 . 7.060 3.505 3.505 3.505 . 0 0 "[ ]" 1 403 1 12 SER H 1 12 SER HB2 2.830 . 3.860 2.395 2.395 2.395 . 0 0 "[ ]" 1 404 1 12 SER H 1 12 SER QB 2.715 . 3.630 2.362 2.362 2.362 . 0 0 "[ ]" 1 405 1 12 SER H 1 12 SER HB3 2.830 . 3.860 3.606 3.606 3.606 . 0 0 "[ ]" 1 406 1 12 SER HA 1 13 GLN HA 3.400 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1 407 1 12 SER HA 1 13 GLN QB 3.840 . 5.880 4.665 4.665 4.665 . 0 0 "[ ]" 1 408 1 12 SER HB2 1 13 GLN QB 3.840 . 5.880 4.935 4.935 4.935 . 0 0 "[ ]" 1 409 1 12 SER HB3 1 13 GLN QB 3.840 . 5.880 5.065 5.065 5.065 . 0 0 "[ ]" 1 410 1 13 GLN QB 1 18 ILE MD 4.350 . 6.900 3.752 3.752 3.752 . 0 0 "[ ]" 1 411 1 14 GLN H 1 14 GLN QE 3.835 . 5.870 4.756 4.756 4.756 . 0 0 "[ ]" 1 412 1 14 GLN H 1 14 GLN QG 3.840 . 5.880 2.563 2.563 2.563 . 0 0 "[ ]" 1 413 1 14 GLN H 1 18 ILE MD 3.915 . 6.030 3.235 3.235 3.235 . 0 0 "[ ]" 1 414 1 14 GLN HA 1 15 SER H 2.540 . 3.280 2.820 2.820 2.820 . 0 0 "[ ]" 1 415 1 14 GLN HA 1 16 LEU QD 4.620 . 7.440 4.737 4.737 4.737 . 0 0 "[ ]" 1 416 1 14 GLN HA 1 18 ILE MD 3.615 . 5.430 4.250 4.250 4.250 . 0 0 "[ ]" 1 417 1 14 GLN QB 1 17 ASP H 3.590 . 5.380 3.305 3.305 3.305 . 0 0 "[ ]" 1 418 1 14 GLN QB 1 17 ASP HB2 3.840 . 5.880 2.562 2.562 2.562 . 0 0 "[ ]" 1 419 1 14 GLN QB 1 17 ASP HB3 3.840 . 5.880 2.890 2.890 2.890 . 0 0 "[ ]" 1 420 1 14 GLN QB 1 18 ILE MD 4.275 . 6.750 3.551 3.551 3.551 . 0 0 "[ ]" 1 421 1 14 GLN QB 1 18 ILE QG 4.215 . 6.630 3.779 3.779 3.779 . 0 0 "[ ]" 1 422 1 14 GLN QG 1 15 SER H 3.840 . 5.880 3.762 3.762 3.762 . 0 0 "[ ]" 1 423 1 14 GLN QG 1 15 SER HA 3.630 . 5.460 3.884 3.884 3.884 . 0 0 "[ ]" 1 424 1 14 GLN QG 1 17 ASP H 3.840 . 5.880 4.386 4.386 4.386 . 0 0 "[ ]" 1 425 1 14 GLN QG 1 17 ASP HB2 3.670 . 5.540 4.204 4.204 4.204 . 0 0 "[ ]" 1 426 1 14 GLN QG 1 17 ASP QB 3.470 . 5.140 3.405 3.405 3.405 . 0 0 "[ ]" 1 427 1 14 GLN QG 1 17 ASP HB3 3.670 . 5.540 3.599 3.599 3.599 . 0 0 "[ ]" 1 428 1 14 GLN QG 1 18 ILE HB 3.840 . 5.880 4.398 4.398 4.398 . 0 0 "[ ]" 1 429 1 14 GLN QG 1 18 ILE MD 4.350 . 6.900 1.960 1.960 1.960 . 0 0 "[ ]" 1 430 1 14 GLN QG 1 18 ILE HG12 3.840 . 5.880 3.564 3.564 3.564 . 0 0 "[ ]" 1 431 1 14 GLN QG 1 18 ILE QG 3.530 . 5.260 2.564 2.564 2.564 . 0 0 "[ ]" 1 432 1 14 GLN QG 1 18 ILE HG13 3.840 . 5.880 2.628 2.628 2.628 . 0 0 "[ ]" 1 433 1 14 GLN QG 1 18 ILE MG 4.350 . 6.900 4.706 4.706 4.706 . 0 0 "[ ]" 1 434 1 15 SER H 1 15 SER HB2 2.865 . 3.930 3.275 3.275 3.275 . 0 0 "[ ]" 1 435 1 15 SER H 1 15 SER HB3 2.865 . 3.930 3.350 3.350 3.350 . 0 0 "[ ]" 1 436 1 15 SER H 1 17 ASP H 3.400 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1 437 1 15 SER H 1 18 ILE MD 3.900 . 6.000 3.358 3.358 3.358 . 0 0 "[ ]" 1 438 1 15 SER HA 1 17 ASP H 3.060 . 4.320 4.316 4.316 4.316 . 0 0 "[ ]" 1 439 1 15 SER HA 1 18 ILE H 2.985 . 4.170 3.308 3.308 3.308 . 0 0 "[ ]" 1 440 1 15 SER HA 1 18 ILE HB 2.660 . 3.520 2.434 2.434 2.434 . 0 0 "[ ]" 1 441 1 15 SER HA 1 18 ILE MD 3.275 . 4.750 2.050 2.050 2.050 . 0 0 "[ ]" 1 442 1 15 SER HA 1 18 ILE QG 3.840 . 5.880 3.571 3.571 3.571 . 0 0 "[ ]" 1 443 1 15 SER HA 1 18 ILE MG 3.590 . 5.380 3.903 3.903 3.903 . 0 0 "[ ]" 1 444 1 15 SER QB 1 18 ILE MD 3.570 . 5.340 3.427 3.427 3.427 . 0 0 "[ ]" 1 445 1 15 SER HB2 1 18 ILE MD 3.705 . 5.610 4.439 4.439 4.439 . 0 0 "[ ]" 1 446 1 15 SER HB3 1 18 ILE MD 3.705 . 5.610 3.566 3.566 3.566 . 0 0 "[ ]" 1 447 1 16 LEU H 1 16 LEU MD1 3.915 . 6.030 4.352 4.352 4.352 . 0 0 "[ ]" 1 448 1 16 LEU H 1 16 LEU MD2 3.915 . 6.030 4.004 4.004 4.004 . 0 0 "[ ]" 1 449 1 16 LEU H 1 16 LEU HG 3.400 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1 450 1 16 LEU HA 1 16 LEU HG 2.490 . 3.180 2.547 2.547 2.547 . 0 0 "[ ]" 1 451 1 16 LEU HA 1 19 GLN H 2.830 . 3.860 3.488 3.488 3.488 . 0 0 "[ ]" 1 452 1 16 LEU HA 1 19 GLN HB2 3.375 . 4.950 2.394 2.394 2.394 . 0 0 "[ ]" 1 453 1 16 LEU HA 1 19 GLN QB 3.180 . 4.560 2.373 2.373 2.373 . 0 0 "[ ]" 1 454 1 16 LEU HA 1 19 GLN HB3 3.375 . 4.950 3.898 3.898 3.898 . 0 0 "[ ]" 1 455 1 16 LEU HA 1 19 GLN QG 3.760 . 5.720 3.282 3.282 3.282 . 0 0 "[ ]" 1 456 1 16 LEU HA 1 20 VAL MG2 3.875 . 5.950 3.631 3.631 3.631 . 0 0 "[ ]" 1 457 1 16 LEU QB 1 17 ASP H 3.010 . 4.220 2.631 2.631 2.631 . 0 0 "[ ]" 1 458 1 16 LEU QB 1 20 VAL MG2 3.825 . 5.850 4.150 4.150 4.150 . 0 0 "[ ]" 1 459 1 16 LEU QB 1 35 THR HB 3.840 . 5.880 4.930 4.930 4.930 . 0 0 "[ ]" 1 460 1 16 LEU QB 1 37 LYS QD 2.750 . 3.700 2.301 2.301 2.301 . 0 0 "[ ]" 1 461 1 16 LEU QB 1 37 LYS QE 3.035 . 4.270 2.584 2.584 2.584 . 0 0 "[ ]" 1 462 1 16 LEU HB2 1 20 VAL MG2 3.915 . 6.030 4.734 4.734 4.734 . 0 0 "[ ]" 1 463 1 16 LEU HB2 1 37 LYS HD2 3.010 . 4.220 3.241 3.241 3.241 . 0 0 "[ ]" 1 464 1 16 LEU HB2 1 37 LYS HD3 3.010 . 4.220 2.396 2.396 2.396 . 0 0 "[ ]" 1 465 1 16 LEU HB2 1 37 LYS QE 3.255 . 4.710 2.887 2.887 2.887 . 0 0 "[ ]" 1 466 1 16 LEU HB3 1 20 VAL MG2 3.915 . 6.030 4.591 4.591 4.591 . 0 0 "[ ]" 1 467 1 16 LEU HB3 1 37 LYS HD2 3.010 . 4.220 4.273 4.273 4.273 0.053 1 0 "[ ]" 1 468 1 16 LEU HB3 1 37 LYS HD3 3.010 . 4.220 3.660 3.660 3.660 . 0 0 "[ ]" 1 469 1 16 LEU HB3 1 37 LYS QE 3.255 . 4.710 2.914 2.914 2.914 . 0 0 "[ ]" 1 470 1 16 LEU QD 1 17 ASP H 3.685 . 5.570 2.989 2.989 2.989 . 0 0 "[ ]" 1 471 1 16 LEU QD 1 17 ASP HA 4.230 . 6.660 2.762 2.762 2.762 . 0 0 "[ ]" 1 472 1 16 LEU QD 1 17 ASP QB 4.410 . 7.020 3.403 3.403 3.403 . 0 0 "[ ]" 1 473 1 16 LEU QD 1 19 GLN H 4.700 . 7.600 4.970 4.970 4.970 . 0 0 "[ ]" 1 474 1 16 LEU QD 1 20 VAL HB 4.700 . 7.600 4.202 4.202 4.202 . 0 0 "[ ]" 1 475 1 16 LEU QD 1 35 THR HA 4.700 . 7.600 4.584 4.584 4.584 . 0 0 "[ ]" 1 476 1 16 LEU QD 1 35 THR HB 3.945 . 6.090 3.155 3.155 3.155 . 0 0 "[ ]" 1 477 1 16 LEU QD 1 35 THR MG 3.920 . 6.040 1.660 1.660 1.660 0.140 1 0 "[ ]" 1 478 1 16 LEU QD 1 36 ASP H 4.660 . 7.520 3.915 3.915 3.915 . 0 0 "[ ]" 1 479 1 16 LEU QD 1 37 LYS QD 3.695 . 5.590 1.817 1.817 1.817 . 0 0 "[ ]" 1 480 1 16 LEU MD1 1 17 ASP H 3.915 . 6.030 4.751 4.751 4.751 . 0 0 "[ ]" 1 481 1 16 LEU MD1 1 17 ASP HB2 5.485 . 9.170 5.898 5.898 5.898 . 0 0 "[ ]" 1 482 1 16 LEU MD1 1 17 ASP HB3 5.485 . 9.170 6.948 6.948 6.948 . 0 0 "[ ]" 1 483 1 16 LEU MD1 1 33 ILE MG 4.430 . 7.060 3.922 3.922 3.922 . 0 0 "[ ]" 1 484 1 16 LEU MD1 1 35 THR MG 4.430 . 7.060 1.663 1.663 1.663 0.137 1 0 "[ ]" 1 485 1 16 LEU MD1 1 37 LYS HD2 3.915 . 6.030 3.222 3.222 3.222 . 0 0 "[ ]" 1 486 1 16 LEU MD1 1 37 LYS HD3 3.915 . 6.030 1.831 1.831 1.831 . 0 0 "[ ]" 1 487 1 16 LEU MD1 1 37 LYS QE 3.895 . 5.990 1.913 1.913 1.913 . 0 0 "[ ]" 1 488 1 16 LEU MD2 1 17 ASP H 3.915 . 6.030 3.021 3.021 3.021 . 0 0 "[ ]" 1 489 1 16 LEU MD2 1 17 ASP HB2 5.485 . 9.170 3.530 3.530 3.530 . 0 0 "[ ]" 1 490 1 16 LEU MD2 1 17 ASP HB3 5.485 . 9.170 4.690 4.690 4.690 . 0 0 "[ ]" 1 491 1 16 LEU MD2 1 33 ILE MG 4.430 . 7.060 4.486 4.486 4.486 . 0 0 "[ ]" 1 492 1 16 LEU MD2 1 35 THR MG 4.430 . 7.060 3.512 3.512 3.512 . 0 0 "[ ]" 1 493 1 16 LEU MD2 1 37 LYS HD2 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1 494 1 16 LEU MD2 1 37 LYS HD3 3.915 . 6.030 3.904 3.904 3.904 . 0 0 "[ ]" 1 495 1 16 LEU MD2 1 37 LYS QE 3.895 . 5.990 2.807 2.807 2.807 . 0 0 "[ ]" 1 496 1 16 LEU HG 1 17 ASP H 3.205 . 4.610 4.024 4.024 4.024 . 0 0 "[ ]" 1 497 1 16 LEU HG 1 17 ASP HA 3.400 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1 498 1 16 LEU HG 1 17 ASP QB 3.840 . 5.880 5.191 5.191 5.191 . 0 0 "[ ]" 1 499 1 16 LEU HG 1 20 VAL H 3.400 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1 500 1 16 LEU HG 1 20 VAL MG1 3.915 . 6.030 4.994 4.994 4.994 . 0 0 "[ ]" 1 501 1 16 LEU HG 1 20 VAL MG2 3.175 . 4.550 2.522 2.522 2.522 . 0 0 "[ ]" 1 502 1 16 LEU HG 1 33 ILE MG 3.915 . 6.030 4.127 4.127 4.127 . 0 0 "[ ]" 1 503 1 16 LEU HG 1 35 THR HB 3.400 . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1 504 1 16 LEU HG 1 35 THR MG 3.915 . 6.030 3.143 3.143 3.143 . 0 0 "[ ]" 1 505 1 16 LEU O 1 20 VAL H 2.000 . 2.300 1.929 1.929 1.929 . 0 0 "[ ]" 1 506 1 16 LEU O 1 20 VAL N 3.000 2.700 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1 507 1 17 ASP H 1 17 ASP HB2 2.555 . 3.310 2.219 2.219 2.219 . 0 0 "[ ]" 1 508 1 17 ASP H 1 17 ASP QB 2.390 . 2.980 2.160 2.160 2.160 . 0 0 "[ ]" 1 509 1 17 ASP H 1 17 ASP HB3 2.555 . 3.310 2.969 2.969 2.969 . 0 0 "[ ]" 1 510 1 17 ASP H 1 18 ILE H 2.580 . 3.360 2.658 2.658 2.658 . 0 0 "[ ]" 1 511 1 17 ASP H 1 18 ILE MD 3.795 . 5.790 4.296 4.296 4.296 . 0 0 "[ ]" 1 512 1 17 ASP H 1 19 GLN H 3.125 . 4.450 3.932 3.932 3.932 . 0 0 "[ ]" 1 513 1 17 ASP HA 1 19 GLN H 3.400 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1 514 1 17 ASP HA 1 20 VAL H 2.765 . 3.730 3.670 3.670 3.670 . 0 0 "[ ]" 1 515 1 17 ASP HA 1 20 VAL HB 2.750 . 3.700 3.004 3.004 3.004 . 0 0 "[ ]" 1 516 1 17 ASP HA 1 20 VAL MG1 3.785 . 5.770 4.312 4.312 4.312 . 0 0 "[ ]" 1 517 1 17 ASP HA 1 20 VAL MG2 3.760 . 5.720 2.879 2.879 2.879 . 0 0 "[ ]" 1 518 1 17 ASP HA 1 21 ARG H 3.100 . 4.400 4.126 4.126 4.126 . 0 0 "[ ]" 1 519 1 17 ASP HA 1 21 ARG QG 3.840 . 5.880 3.843 3.843 3.843 . 0 0 "[ ]" 1 520 1 17 ASP QB 1 18 ILE H 2.965 . 4.130 2.373 2.373 2.373 . 0 0 "[ ]" 1 521 1 17 ASP QB 1 21 ARG QG 4.280 . 6.760 3.930 3.930 3.930 . 0 0 "[ ]" 1 522 1 17 ASP HB2 1 18 ILE H 3.050 . 4.300 3.367 3.367 3.367 . 0 0 "[ ]" 1 523 1 17 ASP HB2 1 18 ILE MD 3.915 . 6.030 4.853 4.853 4.853 . 0 0 "[ ]" 1 524 1 17 ASP HB3 1 18 ILE H 3.050 . 4.300 2.425 2.425 2.425 . 0 0 "[ ]" 1 525 1 17 ASP HB3 1 18 ILE MD 3.915 . 6.030 4.068 4.068 4.068 . 0 0 "[ ]" 1 526 1 17 ASP O 1 21 ARG H 2.000 . 2.300 2.095 2.095 2.095 . 0 0 "[ ]" 1 527 1 17 ASP O 1 21 ARG N 3.000 2.700 3.300 3.071 3.071 3.071 . 0 0 "[ ]" 1 528 1 18 ILE H 1 18 ILE HB 2.425 . 3.050 2.589 2.589 2.589 . 0 0 "[ ]" 1 529 1 18 ILE H 1 18 ILE MD 2.980 . 4.160 2.867 2.867 2.867 . 0 0 "[ ]" 1 530 1 18 ILE H 1 18 ILE QG 3.345 . 4.890 1.995 1.995 1.995 . 0 0 "[ ]" 1 531 1 18 ILE H 1 19 GLN H 2.410 . 3.020 2.693 2.693 2.693 . 0 0 "[ ]" 1 532 1 18 ILE H 1 21 ARG QG 3.330 . 4.860 4.217 4.217 4.217 . 0 0 "[ ]" 1 533 1 18 ILE HA 1 18 ILE HG12 2.660 . 3.520 2.912 2.912 2.912 . 0 0 "[ ]" 1 534 1 18 ILE HA 1 18 ILE QG 2.495 . 3.190 2.485 2.485 2.485 . 0 0 "[ ]" 1 535 1 18 ILE HA 1 18 ILE HG13 2.660 . 3.520 2.696 2.696 2.696 . 0 0 "[ ]" 1 536 1 18 ILE HA 1 18 ILE MG 2.755 . 3.710 2.330 2.330 2.330 . 0 0 "[ ]" 1 537 1 18 ILE HA 1 21 ARG H 2.985 . 4.170 3.722 3.722 3.722 . 0 0 "[ ]" 1 538 1 18 ILE HA 1 21 ARG QB 3.410 . 5.020 3.035 3.035 3.035 . 0 0 "[ ]" 1 539 1 18 ILE HA 1 21 ARG HD2 3.400 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1 540 1 18 ILE HA 1 21 ARG HD3 3.400 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1 541 1 18 ILE HA 1 21 ARG QG 3.840 . 5.880 2.495 2.495 2.495 . 0 0 "[ ]" 1 542 1 18 ILE HA 1 22 ALA MB 3.915 . 6.030 4.699 4.699 4.699 . 0 0 "[ ]" 1 543 1 18 ILE HB 1 19 GLN H 2.530 . 3.260 2.628 2.628 2.628 . 0 0 "[ ]" 1 544 1 18 ILE HB 1 19 GLN QG 3.605 . 5.410 3.659 3.659 3.659 . 0 0 "[ ]" 1 545 1 18 ILE MD 1 18 ILE MG 3.130 . 4.460 2.361 2.361 2.361 . 0 0 "[ ]" 1 546 1 18 ILE MD 1 19 GLN H 3.915 . 6.030 4.113 4.113 4.113 . 0 0 "[ ]" 1 547 1 18 ILE HG12 1 18 ILE MG 2.795 . 3.790 2.175 2.175 2.175 . 0 0 "[ ]" 1 548 1 18 ILE HG13 1 18 ILE MG 2.795 . 3.790 3.109 3.109 3.109 . 0 0 "[ ]" 1 549 1 18 ILE MG 1 19 GLN HA 3.665 . 5.530 3.631 3.631 3.631 . 0 0 "[ ]" 1 550 1 18 ILE MG 1 19 GLN QB 4.355 . 6.910 4.827 4.827 4.827 . 0 0 "[ ]" 1 551 1 18 ILE MG 1 19 GLN QG 3.795 . 5.790 3.887 3.887 3.887 . 0 0 "[ ]" 1 552 1 18 ILE MG 1 21 ARG QB 4.350 . 6.900 3.753 3.753 3.753 . 0 0 "[ ]" 1 553 1 18 ILE MG 1 21 ARG QG 4.325 . 6.850 4.127 4.127 4.127 . 0 0 "[ ]" 1 554 1 18 ILE MG 1 22 ALA MB 3.855 . 5.910 3.405 3.405 3.405 . 0 0 "[ ]" 1 555 1 19 GLN H 1 19 GLN QE 3.835 . 5.870 4.671 4.671 4.671 . 0 0 "[ ]" 1 556 1 19 GLN H 1 19 GLN HG2 2.930 . 4.060 2.860 2.860 2.860 . 0 0 "[ ]" 1 557 1 19 GLN H 1 19 GLN QG 2.740 . 3.680 2.735 2.735 2.735 . 0 0 "[ ]" 1 558 1 19 GLN H 1 19 GLN HG3 2.930 . 4.060 3.482 3.482 3.482 . 0 0 "[ ]" 1 559 1 19 GLN H 1 20 VAL H 2.620 . 3.440 2.788 2.788 2.788 . 0 0 "[ ]" 1 560 1 19 GLN H 1 21 ARG QG 3.840 . 5.880 4.737 4.737 4.737 . 0 0 "[ ]" 1 561 1 19 GLN H 1 22 ALA MB 3.915 . 6.030 4.490 4.490 4.490 . 0 0 "[ ]" 1 562 1 19 GLN HA 1 19 GLN QG 2.895 . 3.990 2.278 2.278 2.278 . 0 0 "[ ]" 1 563 1 19 GLN HA 1 20 VAL HA 3.400 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1 564 1 19 GLN HA 1 22 ALA H 2.880 . 3.960 3.306 3.306 3.306 . 0 0 "[ ]" 1 565 1 19 GLN HA 1 22 ALA MB 3.135 . 4.470 2.419 2.419 2.419 . 0 0 "[ ]" 1 566 1 19 GLN HA 1 23 LEU QD 4.545 . 7.290 3.777 3.777 3.777 . 0 0 "[ ]" 1 567 1 19 GLN QB 1 19 GLN QG 2.125 . 2.450 2.053 2.053 2.053 . 0 0 "[ ]" 1 568 1 19 GLN QB 1 22 ALA MB 3.840 . 5.880 3.881 3.881 3.881 . 0 0 "[ ]" 1 569 1 19 GLN QB 1 66 LEU QD 4.675 . 7.550 4.077 4.077 4.077 . 0 0 "[ ]" 1 570 1 19 GLN HB2 1 20 VAL MG2 3.915 . 6.030 3.339 3.339 3.339 . 0 0 "[ ]" 1 571 1 19 GLN HB2 1 22 ALA MB 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1 572 1 19 GLN HB2 1 23 LEU MD1 3.915 . 6.030 4.756 4.756 4.756 . 0 0 "[ ]" 1 573 1 19 GLN HB2 1 23 LEU MD2 3.915 . 6.030 4.901 4.901 4.901 . 0 0 "[ ]" 1 574 1 19 GLN HB2 1 66 LEU MD1 5.485 . 9.170 6.212 6.212 6.212 . 0 0 "[ ]" 1 575 1 19 GLN HB2 1 66 LEU MD2 5.485 . 9.170 4.638 4.638 4.638 . 0 0 "[ ]" 1 576 1 19 GLN HB3 1 20 VAL MG2 3.915 . 6.030 3.696 3.696 3.696 . 0 0 "[ ]" 1 577 1 19 GLN HB3 1 22 ALA MB 3.915 . 6.030 4.090 4.090 4.090 . 0 0 "[ ]" 1 578 1 19 GLN HB3 1 23 LEU MD1 3.915 . 6.030 3.581 3.581 3.581 . 0 0 "[ ]" 1 579 1 19 GLN HB3 1 23 LEU MD2 3.915 . 6.030 3.414 3.414 3.414 . 0 0 "[ ]" 1 580 1 19 GLN HB3 1 66 LEU MD1 5.485 . 9.170 6.185 6.185 6.185 . 0 0 "[ ]" 1 581 1 19 GLN HB3 1 66 LEU MD2 5.485 . 9.170 4.797 4.797 4.797 . 0 0 "[ ]" 1 582 1 19 GLN QG 1 22 ALA MB 4.105 . 6.410 4.010 4.010 4.010 . 0 0 "[ ]" 1 583 1 19 GLN QG 1 23 LEU QD 4.675 . 7.550 4.337 4.337 4.337 . 0 0 "[ ]" 1 584 1 19 GLN QG 1 66 LEU QD 4.265 . 6.730 2.337 2.337 2.337 . 0 0 "[ ]" 1 585 1 19 GLN HG2 1 20 VAL H 3.400 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1 586 1 19 GLN HG2 1 23 LEU MD1 5.485 . 9.170 5.977 5.977 5.977 . 0 0 "[ ]" 1 587 1 19 GLN HG2 1 23 LEU MD2 5.485 . 9.170 5.104 5.104 5.104 . 0 0 "[ ]" 1 588 1 19 GLN HG2 1 66 LEU MD1 4.790 . 7.780 3.950 3.950 3.950 . 0 0 "[ ]" 1 589 1 19 GLN HG2 1 66 LEU MD2 4.790 . 7.780 2.454 2.454 2.454 . 0 0 "[ ]" 1 590 1 19 GLN HG3 1 20 VAL H 3.400 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 1 591 1 19 GLN HG3 1 23 LEU MD1 5.485 . 9.170 5.716 5.716 5.716 . 0 0 "[ ]" 1 592 1 19 GLN HG3 1 23 LEU MD2 5.485 . 9.170 5.339 5.339 5.339 . 0 0 "[ ]" 1 593 1 19 GLN HG3 1 66 LEU MD1 4.790 . 7.780 5.084 5.084 5.084 . 0 0 "[ ]" 1 594 1 19 GLN HG3 1 66 LEU MD2 4.790 . 7.780 3.056 3.056 3.056 . 0 0 "[ ]" 1 595 1 19 GLN O 1 23 LEU H 2.000 . 2.300 1.904 1.904 1.904 . 0 0 "[ ]" 1 596 1 19 GLN O 1 23 LEU N 3.000 2.700 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 1 597 1 20 VAL H 1 20 VAL HB 2.280 . 2.760 2.622 2.622 2.622 . 0 0 "[ ]" 1 598 1 20 VAL H 1 21 ARG H 2.670 . 3.540 2.933 2.933 2.933 . 0 0 "[ ]" 1 599 1 20 VAL H 1 21 ARG QG 3.840 . 5.880 4.272 4.272 4.272 . 0 0 "[ ]" 1 600 1 20 VAL H 1 22 ALA MB 3.915 . 6.030 4.629 4.629 4.629 . 0 0 "[ ]" 1 601 1 20 VAL HA 1 23 LEU H 2.960 . 4.120 3.215 3.215 3.215 . 0 0 "[ ]" 1 602 1 20 VAL HA 1 23 LEU MD1 3.485 . 5.170 2.589 2.589 2.589 . 0 0 "[ ]" 1 603 1 20 VAL HA 1 23 LEU QD 3.285 . 4.770 2.560 2.560 2.560 . 0 0 "[ ]" 1 604 1 20 VAL HA 1 23 LEU MD2 3.485 . 5.170 4.026 4.026 4.026 . 0 0 "[ ]" 1 605 1 20 VAL HA 1 23 LEU HG 3.400 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1 606 1 20 VAL HA 1 24 LYS QD 3.840 . 5.880 4.469 4.469 4.469 . 0 0 "[ ]" 1 607 1 20 VAL HA 1 24 LYS QE 3.840 . 5.880 3.759 3.759 3.759 . 0 0 "[ ]" 1 608 1 20 VAL HA 1 33 ILE MD 3.630 . 5.460 2.857 2.857 2.857 . 0 0 "[ ]" 1 609 1 20 VAL HA 1 33 ILE MG 3.705 . 5.610 2.644 2.644 2.644 . 0 0 "[ ]" 1 610 1 20 VAL HB 1 21 ARG H 2.490 . 3.180 2.388 2.388 2.388 . 0 0 "[ ]" 1 611 1 20 VAL HB 1 24 LYS QE 3.840 . 5.880 3.753 3.753 3.753 . 0 0 "[ ]" 1 612 1 20 VAL HB 1 33 ILE MD 3.915 . 6.030 4.892 4.892 4.892 . 0 0 "[ ]" 1 613 1 20 VAL HB 1 33 ILE MG 3.745 . 5.690 4.113 4.113 4.113 . 0 0 "[ ]" 1 614 1 20 VAL MG1 1 21 ARG H 2.925 . 4.050 3.349 3.349 3.349 . 0 0 "[ ]" 1 615 1 20 VAL MG1 1 21 ARG HA 3.745 . 5.690 3.612 3.612 3.612 . 0 0 "[ ]" 1 616 1 20 VAL MG1 1 21 ARG QB 4.350 . 6.900 4.782 4.782 4.782 . 0 0 "[ ]" 1 617 1 20 VAL MG1 1 21 ARG QG 4.350 . 6.900 3.486 3.486 3.486 . 0 0 "[ ]" 1 618 1 20 VAL MG1 1 23 LEU QD 4.745 . 7.690 3.588 3.588 3.588 . 0 0 "[ ]" 1 619 1 20 VAL MG1 1 24 LYS HB2 3.915 . 6.030 3.432 3.432 3.432 . 0 0 "[ ]" 1 620 1 20 VAL MG1 1 24 LYS QB 3.710 . 5.620 3.361 3.361 3.361 . 0 0 "[ ]" 1 621 1 20 VAL MG1 1 24 LYS HB3 3.915 . 6.030 4.802 4.802 4.802 . 0 0 "[ ]" 1 622 1 20 VAL MG1 1 24 LYS HD2 3.915 . 6.030 3.742 3.742 3.742 . 0 0 "[ ]" 1 623 1 20 VAL MG1 1 24 LYS HD3 3.915 . 6.030 3.118 3.118 3.118 . 0 0 "[ ]" 1 624 1 20 VAL MG1 1 24 LYS QE 3.755 . 5.710 1.707 1.707 1.707 0.093 1 0 "[ ]" 1 625 1 20 VAL MG1 1 24 LYS QG 4.350 . 6.900 4.060 4.060 4.060 . 0 0 "[ ]" 1 626 1 20 VAL MG1 1 30 ALA HA 3.915 . 6.030 3.168 3.168 3.168 . 0 0 "[ ]" 1 627 1 20 VAL MG1 1 33 ILE HB 3.745 . 5.690 3.890 3.890 3.890 . 0 0 "[ ]" 1 628 1 20 VAL MG1 1 33 ILE MD 3.830 . 5.860 2.520 2.520 2.520 . 0 0 "[ ]" 1 629 1 20 VAL MG1 1 33 ILE MG 3.975 . 6.150 2.483 2.483 2.483 . 0 0 "[ ]" 1 630 1 20 VAL MG2 1 23 LEU QD 5.215 . 8.630 3.328 3.328 3.328 . 0 0 "[ ]" 1 631 1 20 VAL MG2 1 24 LYS QD 4.355 . 6.910 5.044 5.044 5.044 . 0 0 "[ ]" 1 632 1 20 VAL MG2 1 24 LYS QE 4.195 . 6.590 3.860 3.860 3.860 . 0 0 "[ ]" 1 633 1 20 VAL MG2 1 30 ALA HA 3.915 . 6.030 4.829 4.829 4.829 . 0 0 "[ ]" 1 634 1 20 VAL MG2 1 33 ILE HB 3.730 . 5.660 3.601 3.601 3.601 . 0 0 "[ ]" 1 635 1 20 VAL MG2 1 33 ILE MD 4.285 . 6.770 3.396 3.396 3.396 . 0 0 "[ ]" 1 636 1 20 VAL MG2 1 33 ILE HG12 3.915 . 6.030 4.623 4.623 4.623 . 0 0 "[ ]" 1 637 1 20 VAL MG2 1 33 ILE HG13 3.915 . 6.030 3.206 3.206 3.206 . 0 0 "[ ]" 1 638 1 20 VAL MG2 1 33 ILE MG 3.985 . 6.170 1.868 1.868 1.868 . 0 0 "[ ]" 1 639 1 20 VAL MG2 1 35 THR HB 3.265 . 4.730 3.340 3.340 3.340 . 0 0 "[ ]" 1 640 1 20 VAL O 1 24 LYS H 2.000 . 2.300 1.772 1.772 1.772 . 0 0 "[ ]" 1 641 1 20 VAL O 1 24 LYS N 3.000 2.700 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1 642 1 21 ARG H 1 21 ARG QG 3.615 . 5.430 1.990 1.990 1.990 . 0 0 "[ ]" 1 643 1 21 ARG H 1 22 ALA H 2.440 . 3.080 2.644 2.644 2.644 . 0 0 "[ ]" 1 644 1 21 ARG HA 1 21 ARG HD2 3.350 . 4.900 4.615 4.615 4.615 . 0 0 "[ ]" 1 645 1 21 ARG HA 1 21 ARG QD 3.075 . 4.350 3.721 3.721 3.721 . 0 0 "[ ]" 1 646 1 21 ARG HA 1 21 ARG HD3 3.350 . 4.900 3.926 3.926 3.926 . 0 0 "[ ]" 1 647 1 21 ARG HA 1 24 LYS H 2.645 . 3.490 3.500 3.500 3.500 0.010 1 0 "[ ]" 1 648 1 21 ARG HA 1 24 LYS HB2 3.285 . 4.770 2.671 2.671 2.671 . 0 0 "[ ]" 1 649 1 21 ARG HA 1 24 LYS QB 3.185 . 4.570 2.589 2.589 2.589 . 0 0 "[ ]" 1 650 1 21 ARG HA 1 24 LYS HB3 3.285 . 4.770 3.477 3.477 3.477 . 0 0 "[ ]" 1 651 1 21 ARG HA 1 24 LYS QE 3.840 . 5.880 3.219 3.219 3.219 . 0 0 "[ ]" 1 652 1 21 ARG HA 1 24 LYS QG 3.420 . 5.040 4.422 4.422 4.422 . 0 0 "[ ]" 1 653 1 21 ARG HA 1 25 ASP H 2.735 . 3.670 3.702 3.702 3.702 0.032 1 0 "[ ]" 1 654 1 21 ARG HA 1 25 ASP QB 3.750 . 5.700 4.346 4.346 4.346 . 0 0 "[ ]" 1 655 1 21 ARG QB 1 21 ARG QD 2.740 . 3.680 2.060 2.060 2.060 . 0 0 "[ ]" 1 656 1 21 ARG QB 1 22 ALA H 3.045 . 4.290 2.741 2.741 2.741 . 0 0 "[ ]" 1 657 1 21 ARG QB 1 22 ALA HA 3.775 . 5.750 3.917 3.917 3.917 . 0 0 "[ ]" 1 658 1 21 ARG QB 1 22 ALA MB 4.350 . 6.900 3.810 3.810 3.810 . 0 0 "[ ]" 1 659 1 21 ARG QB 1 25 ASP QB 4.280 . 6.760 4.037 4.037 4.037 . 0 0 "[ ]" 1 660 1 21 ARG QG 1 22 ALA H 3.745 . 5.690 3.801 3.801 3.801 . 0 0 "[ ]" 1 661 1 21 ARG QG 1 24 LYS QE 4.275 . 6.750 4.192 4.192 4.192 . 0 0 "[ ]" 1 662 1 21 ARG O 1 25 ASP H 2.000 . 2.300 1.951 1.951 1.951 . 0 0 "[ ]" 1 663 1 21 ARG O 1 25 ASP N 3.000 2.700 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1 664 1 22 ALA H 1 23 LEU H 2.570 . 3.340 2.553 2.553 2.553 . 0 0 "[ ]" 1 665 1 22 ALA H 1 23 LEU QD 4.700 . 7.600 4.058 4.058 4.058 . 0 0 "[ ]" 1 666 1 22 ALA HA 1 23 LEU QD 4.700 . 7.600 4.447 4.447 4.447 . 0 0 "[ ]" 1 667 1 22 ALA HA 1 25 ASP H 2.985 . 4.170 3.619 3.619 3.619 . 0 0 "[ ]" 1 668 1 22 ALA HA 1 25 ASP HB2 2.505 . 3.210 3.187 3.187 3.187 . 0 0 "[ ]" 1 669 1 22 ALA HA 1 25 ASP QB 2.405 . 3.010 2.785 2.785 2.785 . 0 0 "[ ]" 1 670 1 22 ALA HA 1 25 ASP HB3 2.505 . 3.210 3.072 3.072 3.072 . 0 0 "[ ]" 1 671 1 22 ALA MB 1 23 LEU H 2.980 . 4.160 2.550 2.550 2.550 . 0 0 "[ ]" 1 672 1 22 ALA MB 1 23 LEU HA 3.445 . 5.090 3.791 3.791 3.791 . 0 0 "[ ]" 1 673 1 22 ALA MB 1 23 LEU MD1 4.350 . 6.900 4.470 4.470 4.470 . 0 0 "[ ]" 1 674 1 22 ALA MB 1 23 LEU QD 4.090 . 6.380 2.403 2.403 2.403 . 0 0 "[ ]" 1 675 1 22 ALA MB 1 23 LEU MD2 4.350 . 6.900 2.413 2.413 2.413 . 0 0 "[ ]" 1 676 1 22 ALA MB 1 23 LEU HG 3.915 . 6.030 3.428 3.428 3.428 . 0 0 "[ ]" 1 677 1 22 ALA MB 1 66 LEU MD1 4.430 . 7.060 4.321 4.321 4.321 . 0 0 "[ ]" 1 678 1 22 ALA MB 1 66 LEU MD2 4.430 . 7.060 4.771 4.771 4.771 . 0 0 "[ ]" 1 679 1 22 ALA O 1 26 ALA H 2.000 . 2.300 2.190 2.190 2.190 . 0 0 "[ ]" 1 680 1 22 ALA O 1 26 ALA N 3.000 2.700 3.300 3.000 3.000 3.000 . 0 0 "[ ]" 1 681 1 23 LEU H 1 23 LEU HB2 2.505 . 3.210 2.832 2.832 2.832 . 0 0 "[ ]" 1 682 1 23 LEU H 1 23 LEU HB3 2.945 . 4.090 3.647 3.647 3.647 . 0 0 "[ ]" 1 683 1 23 LEU H 1 23 LEU MD1 3.275 . 4.750 3.661 3.661 3.661 . 0 0 "[ ]" 1 684 1 23 LEU H 1 23 LEU QD 3.070 . 4.340 2.459 2.459 2.459 . 0 0 "[ ]" 1 685 1 23 LEU H 1 23 LEU MD2 3.275 . 4.750 2.499 2.499 2.499 . 0 0 "[ ]" 1 686 1 23 LEU H 1 24 LYS H 2.620 . 3.440 2.586 2.586 2.586 . 0 0 "[ ]" 1 687 1 23 LEU HA 1 23 LEU MD1 3.240 . 4.680 3.821 3.821 3.821 . 0 0 "[ ]" 1 688 1 23 LEU HA 1 23 LEU QD 2.955 . 4.110 2.239 2.239 2.239 . 0 0 "[ ]" 1 689 1 23 LEU HA 1 23 LEU MD2 3.240 . 4.680 2.254 2.254 2.254 . 0 0 "[ ]" 1 690 1 23 LEU HA 1 23 LEU HG 2.995 . 4.190 3.478 3.478 3.478 . 0 0 "[ ]" 1 691 1 23 LEU HA 1 26 ALA H 3.060 . 4.320 3.369 3.369 3.369 . 0 0 "[ ]" 1 692 1 23 LEU HA 1 26 ALA MB 3.095 . 4.390 2.453 2.453 2.453 . 0 0 "[ ]" 1 693 1 23 LEU HA 1 28 VAL MG1 3.915 . 6.030 4.332 4.332 4.332 . 0 0 "[ ]" 1 694 1 23 LEU HA 1 28 VAL MG2 3.915 . 6.030 2.593 2.593 2.593 . 0 0 "[ ]" 1 695 1 23 LEU HA 1 62 LEU MD1 3.915 . 6.030 4.047 4.047 4.047 . 0 0 "[ ]" 1 696 1 23 LEU HA 1 62 LEU QD 3.545 . 5.290 3.806 3.806 3.806 . 0 0 "[ ]" 1 697 1 23 LEU HA 1 62 LEU MD2 3.915 . 6.030 4.632 4.632 4.632 . 0 0 "[ ]" 1 698 1 23 LEU HB2 1 24 LYS H 3.335 . 4.870 2.518 2.518 2.518 . 0 0 "[ ]" 1 699 1 23 LEU HB2 1 28 VAL MG1 3.655 . 5.510 2.827 2.827 2.827 . 0 0 "[ ]" 1 700 1 23 LEU HB2 1 28 VAL MG2 3.655 . 5.510 3.254 3.254 3.254 . 0 0 "[ ]" 1 701 1 23 LEU HB3 1 28 VAL MG1 3.915 . 6.030 2.427 2.427 2.427 . 0 0 "[ ]" 1 702 1 23 LEU HB3 1 28 VAL MG2 3.915 . 6.030 2.004 2.004 2.004 . 0 0 "[ ]" 1 703 1 23 LEU HB3 1 62 LEU QD 4.545 . 7.290 4.350 4.350 4.350 . 0 0 "[ ]" 1 704 1 23 LEU QD 1 28 VAL HB 4.700 . 7.600 3.671 3.671 3.671 . 0 0 "[ ]" 1 705 1 23 LEU QD 1 28 VAL QG 3.895 . 5.990 2.454 2.454 2.454 . 0 0 "[ ]" 1 706 1 23 LEU QD 1 33 ILE HA 4.700 . 7.600 3.067 3.067 3.067 . 0 0 "[ ]" 1 707 1 23 LEU QD 1 33 ILE HB 4.700 . 7.600 4.414 4.414 4.414 . 0 0 "[ ]" 1 708 1 23 LEU QD 1 33 ILE QG 4.485 . 7.170 3.761 3.761 3.761 . 0 0 "[ ]" 1 709 1 23 LEU QD 1 33 ILE MG 4.190 . 6.580 2.020 2.020 2.020 . 0 0 "[ ]" 1 710 1 23 LEU QD 1 34 PHE H 4.490 . 7.180 3.992 3.992 3.992 . 0 0 "[ ]" 1 711 1 23 LEU MD1 1 28 VAL MG1 4.430 . 7.060 2.635 2.635 2.635 . 0 0 "[ ]" 1 712 1 23 LEU MD1 1 28 VAL MG2 4.430 . 7.060 3.461 3.461 3.461 . 0 0 "[ ]" 1 713 1 23 LEU MD1 1 33 ILE HG12 5.485 . 9.170 4.506 4.506 4.506 . 0 0 "[ ]" 1 714 1 23 LEU MD1 1 33 ILE HG13 5.485 . 9.170 4.097 4.097 4.097 . 0 0 "[ ]" 1 715 1 23 LEU MD1 1 33 ILE MG 4.430 . 7.060 2.024 2.024 2.024 . 0 0 "[ ]" 1 716 1 23 LEU MD1 1 63 VAL HA 3.915 . 6.030 4.890 4.890 4.890 . 0 0 "[ ]" 1 717 1 23 LEU MD2 1 28 VAL MG1 4.430 . 7.060 4.078 4.078 4.078 . 0 0 "[ ]" 1 718 1 23 LEU MD2 1 28 VAL MG2 4.430 . 7.060 3.290 3.290 3.290 . 0 0 "[ ]" 1 719 1 23 LEU MD2 1 33 ILE HG12 5.485 . 9.170 6.912 6.912 6.912 . 0 0 "[ ]" 1 720 1 23 LEU MD2 1 33 ILE HG13 5.485 . 9.170 6.482 6.482 6.482 . 0 0 "[ ]" 1 721 1 23 LEU MD2 1 33 ILE MG 4.430 . 7.060 4.317 4.317 4.317 . 0 0 "[ ]" 1 722 1 23 LEU MD2 1 63 VAL HA 3.915 . 6.030 3.711 3.711 3.711 . 0 0 "[ ]" 1 723 1 23 LEU O 1 27 GLY H 2.000 . 2.300 2.033 2.033 2.033 . 0 0 "[ ]" 1 724 1 23 LEU O 1 27 GLY N 3.000 2.700 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 1 725 1 23 LEU O 1 28 VAL H 2.000 . 2.300 2.258 2.258 2.258 . 0 0 "[ ]" 1 726 1 23 LEU O 1 28 VAL N 3.000 2.700 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1 727 1 24 LYS H 1 24 LYS HB2 2.985 . 4.170 2.081 2.081 2.081 . 0 0 "[ ]" 1 728 1 24 LYS H 1 24 LYS QB 2.730 . 3.660 2.060 2.060 2.060 . 0 0 "[ ]" 1 729 1 24 LYS H 1 24 LYS HB3 2.985 . 4.170 3.308 3.308 3.308 . 0 0 "[ ]" 1 730 1 24 LYS H 1 24 LYS QE 3.645 . 5.490 3.261 3.261 3.261 . 0 0 "[ ]" 1 731 1 24 LYS H 1 24 LYS QG 3.125 . 4.450 3.836 3.836 3.836 . 0 0 "[ ]" 1 732 1 24 LYS H 1 25 ASP H 2.580 . 3.360 2.729 2.729 2.729 . 0 0 "[ ]" 1 733 1 24 LYS H 1 28 VAL HB 2.985 . 4.170 3.493 3.493 3.493 . 0 0 "[ ]" 1 734 1 24 LYS H 1 28 VAL QG 4.695 . 7.590 3.977 3.977 3.977 . 0 0 "[ ]" 1 735 1 24 LYS H 1 33 ILE MD 3.250 . 4.700 3.807 3.807 3.807 . 0 0 "[ ]" 1 736 1 24 LYS HA 1 24 LYS HD2 3.400 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1 737 1 24 LYS HA 1 24 LYS QD 3.100 . 4.400 2.527 2.527 2.527 . 0 0 "[ ]" 1 738 1 24 LYS HA 1 24 LYS HD3 3.400 . 5.000 2.587 2.587 2.587 . 0 0 "[ ]" 1 739 1 24 LYS HA 1 26 ALA MB 3.915 . 6.030 4.611 4.611 4.611 . 0 0 "[ ]" 1 740 1 24 LYS HA 1 27 GLY H 2.425 . 3.050 3.127 3.127 3.127 0.077 1 0 "[ ]" 1 741 1 24 LYS HA 1 28 VAL H 2.400 . 3.000 2.056 2.056 2.056 . 0 0 "[ ]" 1 742 1 24 LYS HA 1 28 VAL HB 2.930 . 4.060 2.817 2.817 2.817 . 0 0 "[ ]" 1 743 1 24 LYS HA 1 28 VAL MG1 3.915 . 6.030 4.131 4.131 4.131 . 0 0 "[ ]" 1 744 1 24 LYS HA 1 28 VAL QG 3.635 . 5.470 3.599 3.599 3.599 . 0 0 "[ ]" 1 745 1 24 LYS HA 1 28 VAL MG2 3.915 . 6.030 3.961 3.961 3.961 . 0 0 "[ ]" 1 746 1 24 LYS QB 1 24 LYS QE 3.320 . 4.840 2.041 2.041 2.041 . 0 0 "[ ]" 1 747 1 24 LYS QB 1 25 ASP H 2.830 . 3.860 2.625 2.625 2.625 . 0 0 "[ ]" 1 748 1 24 LYS QB 1 25 ASP HA 3.840 . 5.880 3.818 3.818 3.818 . 0 0 "[ ]" 1 749 1 24 LYS QB 1 28 VAL HB 3.840 . 5.880 4.418 4.418 4.418 . 0 0 "[ ]" 1 750 1 24 LYS QB 1 28 VAL QG 5.135 . 8.470 4.618 4.618 4.618 . 0 0 "[ ]" 1 751 1 24 LYS QB 1 33 ILE MD 4.355 . 6.910 4.186 4.186 4.186 . 0 0 "[ ]" 1 752 1 24 LYS HB2 1 24 LYS QE 3.385 . 4.970 2.057 2.057 2.057 . 0 0 "[ ]" 1 753 1 24 LYS HB2 1 25 ASP H 2.985 . 4.170 3.090 3.090 3.090 . 0 0 "[ ]" 1 754 1 24 LYS HB3 1 24 LYS QE 3.385 . 4.970 3.436 3.436 3.436 . 0 0 "[ ]" 1 755 1 24 LYS HB3 1 25 ASP H 2.985 . 4.170 2.840 2.840 2.840 . 0 0 "[ ]" 1 756 1 24 LYS QD 1 28 VAL QG 4.670 . 7.540 3.321 3.321 3.321 . 0 0 "[ ]" 1 757 1 24 LYS QD 1 30 ALA MB 3.365 . 4.930 2.652 2.652 2.652 . 0 0 "[ ]" 1 758 1 24 LYS QD 1 33 ILE MD 3.280 . 4.760 2.334 2.334 2.334 . 0 0 "[ ]" 1 759 1 24 LYS QD 1 33 ILE QG 4.275 . 6.750 3.364 3.364 3.364 . 0 0 "[ ]" 1 760 1 24 LYS HD2 1 28 VAL MG1 5.475 . 9.150 4.177 4.177 4.177 . 0 0 "[ ]" 1 761 1 24 LYS HD2 1 28 VAL MG2 5.475 . 9.150 5.793 5.793 5.793 . 0 0 "[ ]" 1 762 1 24 LYS HD2 1 30 ALA HA 3.400 . 5.000 2.683 2.683 2.683 . 0 0 "[ ]" 1 763 1 24 LYS HD2 1 30 ALA MB 3.720 . 5.640 2.706 2.706 2.706 . 0 0 "[ ]" 1 764 1 24 LYS HD2 1 33 ILE MD 3.550 . 5.300 3.150 3.150 3.150 . 0 0 "[ ]" 1 765 1 24 LYS HD3 1 28 VAL MG1 5.475 . 9.150 3.615 3.615 3.615 . 0 0 "[ ]" 1 766 1 24 LYS HD3 1 28 VAL MG2 5.475 . 9.150 4.796 4.796 4.796 . 0 0 "[ ]" 1 767 1 24 LYS HD3 1 30 ALA HA 3.400 . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1 768 1 24 LYS HD3 1 30 ALA MB 3.720 . 5.640 3.807 3.807 3.807 . 0 0 "[ ]" 1 769 1 24 LYS HD3 1 33 ILE MD 3.550 . 5.300 2.406 2.406 2.406 . 0 0 "[ ]" 1 770 1 24 LYS QE 1 30 ALA H 3.840 . 5.880 3.876 3.876 3.876 . 0 0 "[ ]" 1 771 1 24 LYS QE 1 30 ALA HA 3.840 . 5.880 2.300 2.300 2.300 . 0 0 "[ ]" 1 772 1 24 LYS QE 1 30 ALA MB 3.535 . 5.270 2.156 2.156 2.156 . 0 0 "[ ]" 1 773 1 24 LYS QE 1 33 ILE HB 3.840 . 5.880 5.051 5.051 5.051 . 0 0 "[ ]" 1 774 1 24 LYS QE 1 33 ILE MD 3.935 . 6.070 2.913 2.913 2.913 . 0 0 "[ ]" 1 775 1 24 LYS QE 1 33 ILE QG 4.280 . 6.760 2.743 2.743 2.743 . 0 0 "[ ]" 1 776 1 24 LYS QE 1 33 ILE MG 4.350 . 6.900 3.952 3.952 3.952 . 0 0 "[ ]" 1 777 1 24 LYS QG 1 25 ASP H 3.460 . 5.120 4.382 4.382 4.382 . 0 0 "[ ]" 1 778 1 24 LYS QG 1 28 VAL H 3.840 . 5.880 3.662 3.662 3.662 . 0 0 "[ ]" 1 779 1 24 LYS QG 1 28 VAL HB 3.655 . 5.510 4.309 4.309 4.309 . 0 0 "[ ]" 1 780 1 24 LYS QG 1 28 VAL QG 5.130 . 8.460 4.385 4.385 4.385 . 0 0 "[ ]" 1 781 1 24 LYS QG 1 30 ALA HA 3.840 . 5.880 4.459 4.459 4.459 . 0 0 "[ ]" 1 782 1 24 LYS QG 1 30 ALA MB 3.860 . 5.920 3.627 3.627 3.627 . 0 0 "[ ]" 1 783 1 24 LYS QG 1 33 ILE MD 4.210 . 6.620 4.237 4.237 4.237 . 0 0 "[ ]" 1 784 1 24 LYS QG 1 33 ILE QG 4.280 . 6.760 5.120 5.120 5.120 . 0 0 "[ ]" 1 785 1 25 ASP H 1 25 ASP HA 2.280 . 2.760 2.844 2.844 2.844 0.084 1 0 "[ ]" 1 786 1 25 ASP H 1 25 ASP HB2 2.295 . 2.790 2.232 2.232 2.232 . 0 0 "[ ]" 1 787 1 25 ASP H 1 25 ASP HB3 2.295 . 2.790 2.868 2.868 2.868 0.078 1 0 "[ ]" 1 788 1 25 ASP H 1 26 ALA H 2.490 . 3.180 2.587 2.587 2.587 . 0 0 "[ ]" 1 789 1 25 ASP H 1 26 ALA MB 3.915 . 6.030 4.225 4.225 4.225 . 0 0 "[ ]" 1 790 1 25 ASP H 1 27 GLY H 3.400 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1 791 1 25 ASP H 1 28 VAL H 3.400 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1 792 1 25 ASP H 1 28 VAL QG 4.395 . 6.990 5.148 5.148 5.148 . 0 0 "[ ]" 1 793 1 25 ASP QB 1 26 ALA HA 3.840 . 5.880 3.926 3.926 3.926 . 0 0 "[ ]" 1 794 1 25 ASP HB2 1 26 ALA H 3.010 . 4.220 3.609 3.609 3.609 . 0 0 "[ ]" 1 795 1 25 ASP HB2 1 26 ALA MB 3.915 . 6.030 4.979 4.979 4.979 . 0 0 "[ ]" 1 796 1 25 ASP HB3 1 26 ALA H 3.010 . 4.220 2.709 2.709 2.709 . 0 0 "[ ]" 1 797 1 25 ASP HB3 1 26 ALA MB 3.915 . 6.030 3.828 3.828 3.828 . 0 0 "[ ]" 1 798 1 26 ALA H 1 27 GLY H 2.375 . 2.950 2.510 2.510 2.510 . 0 0 "[ ]" 1 799 1 26 ALA H 1 28 VAL H 2.985 . 4.170 4.019 4.019 4.019 . 0 0 "[ ]" 1 800 1 26 ALA H 1 28 VAL QG 4.410 . 7.020 4.129 4.129 4.129 . 0 0 "[ ]" 1 801 1 26 ALA HA 1 27 GLY QA 3.840 . 5.880 4.273 4.273 4.273 . 0 0 "[ ]" 1 802 1 26 ALA HA 1 62 LEU MD1 3.915 . 6.030 3.683 3.683 3.683 . 0 0 "[ ]" 1 803 1 26 ALA HA 1 62 LEU MD2 3.915 . 6.030 3.867 3.867 3.867 . 0 0 "[ ]" 1 804 1 26 ALA MB 1 27 GLY H 3.070 . 4.340 2.631 2.631 2.631 . 0 0 "[ ]" 1 805 1 26 ALA MB 1 27 GLY HA2 3.915 . 6.030 4.512 4.512 4.512 . 0 0 "[ ]" 1 806 1 26 ALA MB 1 27 GLY HA3 3.915 . 6.030 4.019 4.019 4.019 . 0 0 "[ ]" 1 807 1 26 ALA MB 1 28 VAL H 3.535 . 5.270 3.701 3.701 3.701 . 0 0 "[ ]" 1 808 1 26 ALA MB 1 28 VAL HB 3.420 . 5.040 4.005 4.005 4.005 . 0 0 "[ ]" 1 809 1 26 ALA MB 1 28 VAL QG 5.210 . 8.620 2.518 2.518 2.518 . 0 0 "[ ]" 1 810 1 26 ALA MB 1 62 LEU HA 3.915 . 6.030 4.687 4.687 4.687 . 0 0 "[ ]" 1 811 1 26 ALA MB 1 62 LEU HB2 3.500 . 5.200 3.914 3.914 3.914 . 0 0 "[ ]" 1 812 1 26 ALA MB 1 62 LEU HB3 3.770 . 5.740 2.908 2.908 2.908 . 0 0 "[ ]" 1 813 1 26 ALA MB 1 62 LEU MD1 4.170 . 6.540 1.915 1.915 1.915 . 0 0 "[ ]" 1 814 1 26 ALA MB 1 62 LEU QD 3.975 . 6.150 1.713 1.713 1.713 0.087 1 0 "[ ]" 1 815 1 26 ALA MB 1 62 LEU MD2 4.170 . 6.540 1.930 1.930 1.930 . 0 0 "[ ]" 1 816 1 27 GLY H 1 28 VAL H 2.410 . 3.020 1.979 1.979 1.979 . 0 0 "[ ]" 1 817 1 27 GLY H 1 28 VAL MG1 3.915 . 6.030 5.119 5.119 5.119 . 0 0 "[ ]" 1 818 1 27 GLY H 1 28 VAL MG2 3.915 . 6.030 3.205 3.205 3.205 . 0 0 "[ ]" 1 819 1 27 GLY H 1 62 LEU MD1 3.915 . 6.030 3.114 3.114 3.114 . 0 0 "[ ]" 1 820 1 27 GLY H 1 62 LEU QD 3.685 . 5.570 3.078 3.078 3.078 . 0 0 "[ ]" 1 821 1 27 GLY H 1 62 LEU MD2 3.915 . 6.030 4.839 4.839 4.839 . 0 0 "[ ]" 1 822 1 27 GLY QA 1 28 VAL QG 4.670 . 7.540 3.525 3.525 3.525 . 0 0 "[ ]" 1 823 1 27 GLY QA 1 62 LEU QD 4.675 . 7.550 2.607 2.607 2.607 . 0 0 "[ ]" 1 824 1 27 GLY HA2 1 28 VAL MG1 5.475 . 9.150 5.831 5.831 5.831 . 0 0 "[ ]" 1 825 1 27 GLY HA2 1 28 VAL MG2 5.475 . 9.150 4.258 4.258 4.258 . 0 0 "[ ]" 1 826 1 27 GLY HA2 1 62 LEU MD1 5.485 . 9.170 3.782 3.782 3.782 . 0 0 "[ ]" 1 827 1 27 GLY HA2 1 62 LEU MD2 5.485 . 9.170 5.904 5.904 5.904 . 0 0 "[ ]" 1 828 1 27 GLY HA3 1 28 VAL MG1 5.475 . 9.150 5.960 5.960 5.960 . 0 0 "[ ]" 1 829 1 27 GLY HA3 1 28 VAL MG2 5.475 . 9.150 3.853 3.853 3.853 . 0 0 "[ ]" 1 830 1 27 GLY HA3 1 62 LEU MD1 5.485 . 9.170 2.675 2.675 2.675 . 0 0 "[ ]" 1 831 1 27 GLY HA3 1 62 LEU MD2 5.485 . 9.170 4.739 4.739 4.739 . 0 0 "[ ]" 1 832 1 28 VAL H 1 28 VAL HB 2.490 . 3.180 2.566 2.566 2.566 . 0 0 "[ ]" 1 833 1 28 VAL H 1 28 VAL MG1 3.185 . 4.570 3.844 3.844 3.844 . 0 0 "[ ]" 1 834 1 28 VAL H 1 28 VAL QG 2.890 . 3.980 2.684 2.684 2.684 . 0 0 "[ ]" 1 835 1 28 VAL H 1 28 VAL MG2 3.185 . 4.570 2.739 2.739 2.739 . 0 0 "[ ]" 1 836 1 28 VAL HA 1 29 LYS QB 3.565 . 5.330 4.098 4.098 4.098 . 0 0 "[ ]" 1 837 1 28 VAL HA 1 33 ILE MD 3.915 . 6.030 4.571 4.571 4.571 . 0 0 "[ ]" 1 838 1 28 VAL HA 1 62 LEU QD 4.700 . 7.600 3.423 3.423 3.423 . 0 0 "[ ]" 1 839 1 28 VAL HB 1 29 LYS H 3.060 . 4.320 3.998 3.998 3.998 . 0 0 "[ ]" 1 840 1 28 VAL HB 1 33 ILE MD 3.330 . 4.860 3.010 3.010 3.010 . 0 0 "[ ]" 1 841 1 28 VAL QG 1 29 LYS H 4.500 . 7.200 2.178 2.178 2.178 . 0 0 "[ ]" 1 842 1 28 VAL QG 1 30 ALA H 4.695 . 7.590 4.628 4.628 4.628 . 0 0 "[ ]" 1 843 1 28 VAL QG 1 30 ALA HA 4.695 . 7.590 4.165 4.165 4.165 . 0 0 "[ ]" 1 844 1 28 VAL QG 1 32 ARG QD 4.670 . 7.540 4.439 4.439 4.439 . 0 0 "[ ]" 1 845 1 28 VAL QG 1 33 ILE HA 4.695 . 7.590 3.188 3.188 3.188 . 0 0 "[ ]" 1 846 1 28 VAL QG 1 33 ILE MD 3.920 . 6.040 1.819 1.819 1.819 . 0 0 "[ ]" 1 847 1 28 VAL QG 1 33 ILE QG 4.275 . 6.750 3.379 3.379 3.379 . 0 0 "[ ]" 1 848 1 28 VAL QG 1 61 ILE HA 4.695 . 7.590 4.502 4.502 4.502 . 0 0 "[ ]" 1 849 1 28 VAL QG 1 62 LEU HA 4.695 . 7.590 4.130 4.130 4.130 . 0 0 "[ ]" 1 850 1 28 VAL MG1 1 32 ARG HD2 5.475 . 9.150 5.175 5.175 5.175 . 0 0 "[ ]" 1 851 1 28 VAL MG1 1 32 ARG HD3 5.475 . 9.150 5.077 5.077 5.077 . 0 0 "[ ]" 1 852 1 28 VAL MG1 1 33 ILE HG12 5.200 . 8.600 3.592 3.592 3.592 . 0 0 "[ ]" 1 853 1 28 VAL MG1 1 33 ILE HG13 5.200 . 8.600 4.237 4.237 4.237 . 0 0 "[ ]" 1 854 1 28 VAL MG2 1 32 ARG HD2 5.475 . 9.150 6.853 6.853 6.853 . 0 0 "[ ]" 1 855 1 28 VAL MG2 1 32 ARG HD3 5.475 . 9.150 6.742 6.742 6.742 . 0 0 "[ ]" 1 856 1 28 VAL MG2 1 33 ILE HG12 5.200 . 8.600 6.092 6.092 6.092 . 0 0 "[ ]" 1 857 1 28 VAL MG2 1 33 ILE HG13 5.200 . 8.600 6.420 6.420 6.420 . 0 0 "[ ]" 1 858 1 29 LYS H 1 29 LYS HB2 2.895 . 3.990 2.133 2.133 2.133 . 0 0 "[ ]" 1 859 1 29 LYS H 1 29 LYS QB 2.710 . 3.620 2.108 2.108 2.108 . 0 0 "[ ]" 1 860 1 29 LYS H 1 29 LYS HB3 2.895 . 3.990 3.307 3.307 3.307 . 0 0 "[ ]" 1 861 1 29 LYS H 1 29 LYS HD2 3.125 . 4.450 4.236 4.236 4.236 . 0 0 "[ ]" 1 862 1 29 LYS H 1 29 LYS QD 2.960 . 4.120 3.757 3.757 3.757 . 0 0 "[ ]" 1 863 1 29 LYS H 1 29 LYS HD3 3.125 . 4.450 4.198 4.198 4.198 . 0 0 "[ ]" 1 864 1 29 LYS H 1 29 LYS QG 3.840 . 5.880 3.598 3.598 3.598 . 0 0 "[ ]" 1 865 1 29 LYS HA 1 29 LYS HD2 3.360 . 4.920 4.037 4.037 4.037 . 0 0 "[ ]" 1 866 1 29 LYS HA 1 29 LYS QD 3.095 . 4.390 3.704 3.704 3.704 . 0 0 "[ ]" 1 867 1 29 LYS HA 1 29 LYS HD3 3.360 . 4.920 4.309 4.309 4.309 . 0 0 "[ ]" 1 868 1 29 LYS HA 1 29 LYS QE 3.840 . 5.880 4.430 4.430 4.430 . 0 0 "[ ]" 1 869 1 29 LYS HA 1 30 ALA H 2.205 . 2.610 2.254 2.254 2.254 . 0 0 "[ ]" 1 870 1 29 LYS HA 1 31 ASN H 2.985 . 4.170 3.993 3.993 3.993 . 0 0 "[ ]" 1 871 1 29 LYS HA 1 33 ILE MD 3.915 . 6.030 4.488 4.488 4.488 . 0 0 "[ ]" 1 872 1 29 LYS QB 1 29 LYS QE 3.370 . 4.940 3.323 3.323 3.323 . 0 0 "[ ]" 1 873 1 29 LYS QB 1 31 ASN H 3.085 . 4.370 2.688 2.688 2.688 . 0 0 "[ ]" 1 874 1 29 LYS QB 1 32 ARG HA 3.815 . 5.830 4.798 4.798 4.798 . 0 0 "[ ]" 1 875 1 29 LYS QB 1 32 ARG QB 3.380 . 4.960 3.152 3.152 3.152 . 0 0 "[ ]" 1 876 1 29 LYS QB 1 32 ARG QD 3.205 . 4.610 2.975 2.975 2.975 . 0 0 "[ ]" 1 877 1 29 LYS HB2 1 30 ALA H 3.400 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1 878 1 29 LYS HB2 1 32 ARG HB2 3.965 . 6.130 3.493 3.493 3.493 . 0 0 "[ ]" 1 879 1 29 LYS HB2 1 32 ARG HB3 3.965 . 6.130 4.925 4.925 4.925 . 0 0 "[ ]" 1 880 1 29 LYS HB2 1 32 ARG HD2 3.400 . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1 881 1 29 LYS HB2 1 32 ARG HD3 3.400 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1 882 1 29 LYS HB2 1 32 ARG HG2 3.400 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1 883 1 29 LYS HB2 1 32 ARG HG3 3.400 . 5.000 2.651 2.651 2.651 . 0 0 "[ ]" 1 884 1 29 LYS HB3 1 30 ALA H 3.400 . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1 885 1 29 LYS HB3 1 32 ARG HB2 3.965 . 6.130 3.786 3.786 3.786 . 0 0 "[ ]" 1 886 1 29 LYS HB3 1 32 ARG HB3 3.965 . 6.130 5.054 5.054 5.054 . 0 0 "[ ]" 1 887 1 29 LYS HB3 1 32 ARG HD2 3.400 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1 888 1 29 LYS HB3 1 32 ARG HD3 3.400 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1 889 1 29 LYS HB3 1 32 ARG HG2 3.400 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1 890 1 29 LYS HB3 1 32 ARG HG3 3.400 . 5.000 2.331 2.331 2.331 . 0 0 "[ ]" 1 891 1 29 LYS QD 1 31 ASN HB2 3.840 . 5.880 4.868 4.868 4.868 . 0 0 "[ ]" 1 892 1 29 LYS QD 1 32 ARG QD 3.560 . 5.320 3.022 3.022 3.022 . 0 0 "[ ]" 1 893 1 29 LYS QE 1 30 ALA H 3.840 . 5.880 5.248 5.248 5.248 . 0 0 "[ ]" 1 894 1 29 LYS QE 1 31 ASN HB2 3.840 . 5.880 4.385 4.385 4.385 . 0 0 "[ ]" 1 895 1 29 LYS QE 1 31 ASN HB3 3.840 . 5.880 4.778 4.778 4.778 . 0 0 "[ ]" 1 896 1 29 LYS QG 1 31 ASN H 3.565 . 5.330 3.495 3.495 3.495 . 0 0 "[ ]" 1 897 1 29 LYS QG 1 32 ARG H 3.840 . 5.880 4.392 4.392 4.392 . 0 0 "[ ]" 1 898 1 29 LYS O 1 32 ARG H 2.000 . 2.300 2.147 2.147 2.147 . 0 0 "[ ]" 1 899 1 29 LYS O 1 32 ARG N 3.000 2.700 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 1 900 1 30 ALA H 1 31 ASN H 2.530 . 3.260 2.637 2.637 2.637 . 0 0 "[ ]" 1 901 1 30 ALA H 1 32 ARG H 3.050 . 4.300 4.082 4.082 4.082 . 0 0 "[ ]" 1 902 1 30 ALA H 1 33 ILE MD 3.915 . 6.030 4.221 4.221 4.221 . 0 0 "[ ]" 1 903 1 30 ALA HA 1 32 ARG H 2.840 . 3.880 3.891 3.891 3.891 0.011 1 0 "[ ]" 1 904 1 30 ALA HA 1 33 ILE HA 3.400 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1 905 1 30 ALA HA 1 33 ILE HB 2.920 . 4.040 4.054 4.054 4.054 0.014 1 0 "[ ]" 1 906 1 30 ALA HA 1 33 ILE MD 3.070 . 4.340 2.594 2.594 2.594 . 0 0 "[ ]" 1 907 1 30 ALA HA 1 33 ILE HG12 3.400 . 5.000 2.167 2.167 2.167 . 0 0 "[ ]" 1 908 1 30 ALA HA 1 33 ILE HG13 3.400 . 5.000 2.086 2.086 2.086 . 0 0 "[ ]" 1 909 1 30 ALA HA 1 33 ILE MG 3.915 . 6.030 4.114 4.114 4.114 . 0 0 "[ ]" 1 910 1 30 ALA MB 1 31 ASN H 2.900 . 4.000 2.775 2.775 2.775 . 0 0 "[ ]" 1 911 1 30 ALA MB 1 31 ASN HA 3.340 . 4.880 3.828 3.828 3.828 . 0 0 "[ ]" 1 912 1 30 ALA MB 1 31 ASN HB2 3.915 . 6.030 4.194 4.194 4.194 . 0 0 "[ ]" 1 913 1 30 ALA MB 1 33 ILE MD 4.090 . 6.380 3.883 3.883 3.883 . 0 0 "[ ]" 1 914 1 30 ALA MB 1 33 ILE HG12 3.915 . 6.030 3.718 3.718 3.718 . 0 0 "[ ]" 1 915 1 30 ALA MB 1 33 ILE QG 3.780 . 5.760 3.152 3.152 3.152 . 0 0 "[ ]" 1 916 1 30 ALA MB 1 33 ILE HG13 3.915 . 6.030 3.405 3.405 3.405 . 0 0 "[ ]" 1 917 1 30 ALA MB 1 33 ILE MG 4.430 . 7.060 4.798 4.798 4.798 . 0 0 "[ ]" 1 918 1 31 ASN H 1 31 ASN HB2 2.410 . 3.020 2.087 2.087 2.087 . 0 0 "[ ]" 1 919 1 31 ASN H 1 31 ASN HB3 2.440 . 3.080 3.129 3.129 3.129 0.049 1 0 "[ ]" 1 920 1 31 ASN H 1 31 ASN HD22 3.400 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1 921 1 31 ASN H 1 32 ARG H 2.205 . 2.610 2.612 2.612 2.612 0.002 1 0 "[ ]" 1 922 1 31 ASN HA 1 31 ASN HD22 3.400 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1 923 1 31 ASN HB3 1 32 ARG H 3.115 . 4.430 3.144 3.144 3.144 . 0 0 "[ ]" 1 924 1 31 ASN HB3 1 32 ARG QD 3.840 . 5.880 4.608 4.608 4.608 . 0 0 "[ ]" 1 925 1 31 ASN HB3 1 32 ARG QG 3.840 . 5.880 2.672 2.672 2.672 . 0 0 "[ ]" 1 926 1 32 ARG H 1 32 ARG QB 2.660 . 3.520 2.791 2.791 2.791 . 0 0 "[ ]" 1 927 1 32 ARG H 1 32 ARG QD 3.735 . 5.670 4.189 4.189 4.189 . 0 0 "[ ]" 1 928 1 32 ARG H 1 32 ARG QG 3.840 . 5.880 2.336 2.336 2.336 . 0 0 "[ ]" 1 929 1 32 ARG H 1 33 ILE H 2.930 . 4.060 3.447 3.447 3.447 . 0 0 "[ ]" 1 930 1 32 ARG H 1 33 ILE MD 3.915 . 6.030 3.957 3.957 3.957 . 0 0 "[ ]" 1 931 1 32 ARG HA 1 32 ARG HD2 3.375 . 4.950 4.998 4.998 4.998 0.048 1 0 "[ ]" 1 932 1 32 ARG HA 1 32 ARG QD 3.205 . 4.610 4.005 4.005 4.005 . 0 0 "[ ]" 1 933 1 32 ARG HA 1 32 ARG HD3 3.375 . 4.950 4.215 4.215 4.215 . 0 0 "[ ]" 1 934 1 32 ARG HA 1 34 PHE QD 4.460 . 7.120 4.178 4.178 4.178 . 0 0 "[ ]" 1 935 1 32 ARG QB 1 32 ARG QD 2.675 . 3.550 2.051 2.051 2.051 . 0 0 "[ ]" 1 936 1 33 ILE H 1 33 ILE HB 2.375 . 2.950 2.595 2.595 2.595 . 0 0 "[ ]" 1 937 1 33 ILE H 1 33 ILE MD 3.460 . 5.120 3.720 3.720 3.720 . 0 0 "[ ]" 1 938 1 33 ILE H 1 33 ILE HG12 3.400 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 1 939 1 33 ILE H 1 33 ILE QG 3.155 . 4.510 2.726 2.726 2.726 . 0 0 "[ ]" 1 940 1 33 ILE H 1 33 ILE HG13 3.400 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1 941 1 33 ILE H 1 33 ILE MG 3.340 . 4.880 3.863 3.863 3.863 . 0 0 "[ ]" 1 942 1 33 ILE H 1 34 PHE H 3.050 . 4.300 3.837 3.837 3.837 . 0 0 "[ ]" 1 943 1 33 ILE HA 1 33 ILE MD 3.175 . 4.550 1.951 1.951 1.951 . 0 0 "[ ]" 1 944 1 33 ILE HA 1 34 PHE H 2.425 . 3.050 2.332 2.332 2.332 . 0 0 "[ ]" 1 945 1 33 ILE HA 1 34 PHE HA 3.270 . 4.740 4.556 4.556 4.556 . 0 0 "[ ]" 1 946 1 33 ILE HA 1 34 PHE QD 4.460 . 7.120 4.571 4.571 4.571 . 0 0 "[ ]" 1 947 1 33 ILE HB 1 34 PHE H 3.310 . 4.820 4.498 4.498 4.498 . 0 0 "[ ]" 1 948 1 33 ILE HB 1 35 THR H 3.400 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1 949 1 33 ILE MG 1 34 PHE HA 3.915 . 6.030 4.281 4.281 4.281 . 0 0 "[ ]" 1 950 1 33 ILE MG 1 34 PHE QD 4.975 . 8.150 5.462 5.462 5.462 . 0 0 "[ ]" 1 951 1 33 ILE MG 1 35 THR HA 3.915 . 6.030 3.795 3.795 3.795 . 0 0 "[ ]" 1 952 1 33 ILE MG 1 35 THR HB 3.915 . 6.030 2.499 2.499 2.499 . 0 0 "[ ]" 1 953 1 33 ILE MG 1 35 THR MG 4.430 . 7.060 2.812 2.812 2.812 . 0 0 "[ ]" 1 954 1 34 PHE H 1 34 PHE HB2 2.895 . 3.990 2.239 2.239 2.239 . 0 0 "[ ]" 1 955 1 34 PHE H 1 34 PHE QE 4.460 . 7.120 4.887 4.887 4.887 . 0 0 "[ ]" 1 956 1 34 PHE H 1 51 LEU MD1 3.915 . 6.030 3.572 3.572 3.572 . 0 0 "[ ]" 1 957 1 34 PHE HA 1 35 THR H 2.230 . 2.660 2.415 2.415 2.415 . 0 0 "[ ]" 1 958 1 34 PHE HA 1 35 THR MG 3.915 . 6.030 3.745 3.745 3.745 . 0 0 "[ ]" 1 959 1 34 PHE HA 1 51 LEU MD1 3.915 . 6.030 4.422 4.422 4.422 . 0 0 "[ ]" 1 960 1 34 PHE HB2 1 35 THR H 3.400 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 1 961 1 34 PHE HB2 1 51 LEU MD1 3.890 . 5.980 2.092 2.092 2.092 . 0 0 "[ ]" 1 962 1 34 PHE HB2 1 51 LEU MD2 3.915 . 6.030 3.634 3.634 3.634 . 0 0 "[ ]" 1 963 1 34 PHE HB3 1 35 THR H 3.400 . 5.000 4.230 4.230 4.230 . 0 0 "[ ]" 1 964 1 34 PHE HB3 1 51 LEU MD1 3.915 . 6.030 2.933 2.933 2.933 . 0 0 "[ ]" 1 965 1 34 PHE HB3 1 51 LEU MD2 3.915 . 6.030 4.238 4.238 4.238 . 0 0 "[ ]" 1 966 1 34 PHE QD 1 35 THR H 4.460 . 7.120 4.655 4.655 4.655 . 0 0 "[ ]" 1 967 1 34 PHE QD 1 47 GLY QA 4.900 . 8.000 2.213 2.213 2.213 . 0 0 "[ ]" 1 968 1 34 PHE QD 1 50 LEU H 4.460 . 7.120 4.231 4.231 4.231 . 0 0 "[ ]" 1 969 1 34 PHE QD 1 50 LEU HB2 4.460 . 7.120 2.651 2.651 2.651 . 0 0 "[ ]" 1 970 1 34 PHE QD 1 50 LEU HB3 4.460 . 7.120 4.069 4.069 4.069 . 0 0 "[ ]" 1 971 1 34 PHE QD 1 50 LEU MD1 4.975 . 8.150 2.588 2.588 2.588 . 0 0 "[ ]" 1 972 1 34 PHE QD 1 50 LEU MD2 4.975 . 8.150 4.811 4.811 4.811 . 0 0 "[ ]" 1 973 1 34 PHE QD 1 50 LEU HG 4.460 . 7.120 4.519 4.519 4.519 . 0 0 "[ ]" 1 974 1 34 PHE QD 1 51 LEU H 4.460 . 7.120 4.092 4.092 4.092 . 0 0 "[ ]" 1 975 1 34 PHE QD 1 51 LEU HA 4.460 . 7.120 4.069 4.069 4.069 . 0 0 "[ ]" 1 976 1 34 PHE QD 1 51 LEU MD1 4.975 . 8.150 2.094 2.094 2.094 . 0 0 "[ ]" 1 977 1 34 PHE QD 1 51 LEU MD2 4.975 . 8.150 4.188 4.188 4.188 . 0 0 "[ ]" 1 978 1 34 PHE QD 1 51 LEU HG 4.460 . 7.120 4.662 4.662 4.662 . 0 0 "[ ]" 1 979 1 34 PHE QD 1 54 LYS HG2 4.460 . 7.120 6.311 6.311 6.311 . 0 0 "[ ]" 1 980 1 34 PHE QD 1 54 LYS HG3 4.460 . 7.120 4.928 4.928 4.928 . 0 0 "[ ]" 1 981 1 34 PHE QE 1 50 LEU H 4.460 . 7.120 4.731 4.731 4.731 . 0 0 "[ ]" 1 982 1 34 PHE QE 1 50 LEU HA 4.460 . 7.120 4.690 4.690 4.690 . 0 0 "[ ]" 1 983 1 34 PHE QE 1 50 LEU HB2 4.460 . 7.120 2.221 2.221 2.221 . 0 0 "[ ]" 1 984 1 34 PHE QE 1 50 LEU HB3 4.460 . 7.120 2.474 2.474 2.474 . 0 0 "[ ]" 1 985 1 34 PHE QE 1 50 LEU MD1 4.675 . 7.550 2.237 2.237 2.237 . 0 0 "[ ]" 1 986 1 34 PHE QE 1 50 LEU MD2 4.675 . 7.550 3.597 3.597 3.597 . 0 0 "[ ]" 1 987 1 34 PHE QE 1 50 LEU HG 4.460 . 7.120 4.321 4.321 4.321 . 0 0 "[ ]" 1 988 1 34 PHE QE 1 51 LEU H 4.460 . 7.120 4.576 4.576 4.576 . 0 0 "[ ]" 1 989 1 34 PHE QE 1 54 LYS HA 4.460 . 7.120 5.279 5.279 5.279 . 0 0 "[ ]" 1 990 1 34 PHE QE 1 54 LYS HB2 4.460 . 7.120 3.437 3.437 3.437 . 0 0 "[ ]" 1 991 1 34 PHE QE 1 54 LYS HB3 4.460 . 7.120 2.851 2.851 2.851 . 0 0 "[ ]" 1 992 1 34 PHE QE 1 54 LYS HE2 4.460 . 7.120 5.353 5.353 5.353 . 0 0 "[ ]" 1 993 1 34 PHE QE 1 54 LYS HE3 4.460 . 7.120 4.551 4.551 4.551 . 0 0 "[ ]" 1 994 1 34 PHE QE 1 54 LYS HG2 4.460 . 7.120 4.478 4.478 4.478 . 0 0 "[ ]" 1 995 1 34 PHE QE 1 54 LYS HG3 4.460 . 7.120 3.182 3.182 3.182 . 0 0 "[ ]" 1 996 1 35 THR H 1 35 THR HB 2.985 . 4.170 2.716 2.716 2.716 . 0 0 "[ ]" 1 997 1 35 THR HB 1 36 ASP H 3.025 . 4.250 3.619 3.619 3.619 . 0 0 "[ ]" 1 998 1 35 THR MG 1 36 ASP H 3.900 . 6.000 3.251 3.251 3.251 . 0 0 "[ ]" 1 999 1 35 THR MG 1 37 LYS HD2 3.915 . 6.030 4.640 4.640 4.640 . 0 0 "[ ]" 1 1000 1 35 THR MG 1 37 LYS HD3 3.915 . 6.030 3.130 3.130 3.130 . 0 0 "[ ]" 1 1001 1 35 THR MG 1 37 LYS QE 4.155 . 6.510 3.925 3.925 3.925 . 0 0 "[ ]" 1 1002 1 36 ASP H 1 36 ASP HB3 2.930 . 4.060 3.692 3.692 3.692 . 0 0 "[ ]" 1 1003 1 36 ASP H 1 37 LYS H 3.335 . 4.870 3.984 3.984 3.984 . 0 0 "[ ]" 1 1004 1 36 ASP HA 1 37 LYS H 2.505 . 3.210 2.218 2.218 2.218 . 0 0 "[ ]" 1 1005 1 36 ASP HA 1 37 LYS QB 3.840 . 5.880 4.467 4.467 4.467 . 0 0 "[ ]" 1 1006 1 36 ASP HA 1 45 ARG HA 3.400 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1 1007 1 36 ASP HA 1 46 LYS QB 3.840 . 5.880 4.105 4.105 4.105 . 0 0 "[ ]" 1 1008 1 36 ASP HB2 1 37 LYS H 3.400 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1 1009 1 36 ASP HB3 1 37 LYS H 3.400 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1 1010 1 36 ASP HB3 1 38 ALA MB 3.915 . 6.030 3.355 3.355 3.355 . 0 0 "[ ]" 1 1011 1 36 ASP HB3 1 45 ARG HA 3.400 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1 1012 1 36 ASP OD1 1 47 GLY H 2.000 . 2.300 1.760 1.760 1.760 . 0 0 "[ ]" 1 1013 1 36 ASP OD1 1 47 GLY N 3.000 2.700 3.300 2.677 2.677 2.677 0.023 1 0 "[ ]" 1 1014 1 37 LYS H 1 37 LYS HD2 3.400 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1 1015 1 37 LYS H 1 37 LYS HD3 3.400 . 5.000 3.874 3.874 3.874 . 0 0 "[ ]" 1 1016 1 37 LYS H 1 37 LYS QG 3.840 . 5.880 2.192 2.192 2.192 . 0 0 "[ ]" 1 1017 1 37 LYS HA 1 37 LYS HD2 2.840 . 3.880 2.119 2.119 2.119 . 0 0 "[ ]" 1 1018 1 37 LYS HA 1 37 LYS QD 2.755 . 3.710 2.055 2.055 2.055 . 0 0 "[ ]" 1 1019 1 37 LYS HA 1 37 LYS HD3 2.840 . 3.880 2.771 2.771 2.771 . 0 0 "[ ]" 1 1020 1 37 LYS HA 1 37 LYS QE 3.630 . 5.460 4.150 4.150 4.150 . 0 0 "[ ]" 1 1021 1 37 LYS HA 1 38 ALA MB 3.720 . 5.640 4.259 4.259 4.259 . 0 0 "[ ]" 1 1022 1 37 LYS QB 1 37 LYS QE 3.210 . 4.620 3.452 3.452 3.452 . 0 0 "[ ]" 1 1023 1 37 LYS QB 1 38 ALA MB 4.355 . 6.910 4.963 4.963 4.963 . 0 0 "[ ]" 1 1024 1 37 LYS QB 1 39 SER H 3.660 . 5.520 3.701 3.701 3.701 . 0 0 "[ ]" 1 1025 1 37 LYS QB 1 44 ASP QB 4.280 . 6.760 3.264 3.264 3.264 . 0 0 "[ ]" 1 1026 1 37 LYS HB2 1 37 LYS QE 3.590 . 5.380 4.224 4.224 4.224 . 0 0 "[ ]" 1 1027 1 37 LYS HB3 1 37 LYS QE 3.590 . 5.380 3.662 3.662 3.662 . 0 0 "[ ]" 1 1028 1 38 ALA H 1 39 SER H 2.660 . 3.520 2.733 2.733 2.733 . 0 0 "[ ]" 1 1029 1 38 ALA HA 1 43 SER HA 2.505 . 3.210 2.761 2.761 2.761 . 0 0 "[ ]" 1 1030 1 38 ALA HA 1 43 SER HB2 3.400 . 5.000 4.860 4.860 4.860 . 0 0 "[ ]" 1 1031 1 38 ALA HA 1 43 SER HB3 3.400 . 5.000 4.798 4.798 4.798 . 0 0 "[ ]" 1 1032 1 38 ALA HA 1 44 ASP H 3.050 . 4.300 1.996 1.996 1.996 . 0 0 "[ ]" 1 1033 1 38 ALA HA 1 44 ASP HA 3.230 . 4.660 4.687 4.687 4.687 0.027 1 0 "[ ]" 1 1034 1 38 ALA HA 1 44 ASP QB 3.760 . 5.720 2.679 2.679 2.679 . 0 0 "[ ]" 1 1035 1 38 ALA MB 1 40 GLY H 3.915 . 6.030 4.230 4.230 4.230 . 0 0 "[ ]" 1 1036 1 38 ALA MB 1 43 SER HA 3.915 . 6.030 2.952 2.952 2.952 . 0 0 "[ ]" 1 1037 1 38 ALA MB 1 43 SER HB2 3.915 . 6.030 4.347 4.347 4.347 . 0 0 "[ ]" 1 1038 1 38 ALA MB 1 43 SER QB 3.810 . 5.820 3.625 3.625 3.625 . 0 0 "[ ]" 1 1039 1 38 ALA MB 1 43 SER HB3 3.915 . 6.030 3.881 3.881 3.881 . 0 0 "[ ]" 1 1040 1 38 ALA MB 1 44 ASP H 3.915 . 6.030 3.071 3.071 3.071 . 0 0 "[ ]" 1 1041 1 38 ALA MB 1 44 ASP QB 4.350 . 6.900 3.879 3.879 3.879 . 0 0 "[ ]" 1 1042 1 39 SER H 1 40 GLY H 2.775 . 3.750 3.764 3.764 3.764 0.014 1 0 "[ ]" 1 1043 1 39 SER H 1 44 ASP QB 3.840 . 5.880 4.900 4.900 4.900 . 0 0 "[ ]" 1 1044 1 39 SER HA 1 40 GLY QA 3.840 . 5.880 4.066 4.066 4.066 . 0 0 "[ ]" 1 1045 1 40 GLY H 1 40 GLY HA2 2.375 . 2.950 2.966 2.966 2.966 0.016 1 0 "[ ]" 1 1046 1 40 GLY H 1 40 GLY HA3 2.375 . 2.950 2.656 2.656 2.656 . 0 0 "[ ]" 1 1047 1 40 GLY QA 1 42 SER H 3.840 . 5.880 3.349 3.349 3.349 . 0 0 "[ ]" 1 1048 1 42 SER H 1 42 SER HB2 2.855 . 3.910 2.789 2.789 2.789 . 0 0 "[ ]" 1 1049 1 42 SER H 1 42 SER QB 2.740 . 3.680 2.718 2.718 2.718 . 0 0 "[ ]" 1 1050 1 42 SER H 1 42 SER HB3 2.855 . 3.910 3.755 3.755 3.755 . 0 0 "[ ]" 1 1051 1 43 SER H 1 43 SER HB2 2.985 . 4.170 3.519 3.519 3.519 . 0 0 "[ ]" 1 1052 1 43 SER H 1 43 SER QB 2.830 . 3.860 2.843 2.843 2.843 . 0 0 "[ ]" 1 1053 1 43 SER H 1 43 SER HB3 2.985 . 4.170 3.002 3.002 3.002 . 0 0 "[ ]" 1 1054 1 43 SER HA 1 43 SER HB2 2.410 . 3.020 2.674 2.674 2.674 . 0 0 "[ ]" 1 1055 1 43 SER HA 1 43 SER HB3 2.410 . 3.020 2.305 2.305 2.305 . 0 0 "[ ]" 1 1056 1 43 SER HA 1 44 ASP H 2.230 . 2.660 2.193 2.193 2.193 . 0 0 "[ ]" 1 1057 1 43 SER HA 1 44 ASP QB 3.840 . 5.880 4.182 4.182 4.182 . 0 0 "[ ]" 1 1058 1 43 SER QB 1 44 ASP H 2.760 . 3.720 3.239 3.239 3.239 . 0 0 "[ ]" 1 1059 1 43 SER HB2 1 44 ASP H 2.995 . 4.190 3.421 3.421 3.421 . 0 0 "[ ]" 1 1060 1 43 SER HB3 1 44 ASP H 2.995 . 4.190 4.005 4.005 4.005 . 0 0 "[ ]" 1 1061 1 44 ASP H 1 44 ASP QB 2.745 . 3.690 2.244 2.244 2.244 . 0 0 "[ ]" 1 1062 1 44 ASP H 1 45 ARG H 2.790 . 3.780 3.639 3.639 3.639 . 0 0 "[ ]" 1 1063 1 44 ASP HA 1 46 LYS QD 3.840 . 5.880 5.157 5.157 5.157 . 0 0 "[ ]" 1 1064 1 44 ASP HA 1 46 LYS QE 3.840 . 5.880 4.811 4.811 4.811 . 0 0 "[ ]" 1 1065 1 44 ASP HA 1 46 LYS HG2 3.400 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1 1066 1 44 ASP HA 1 46 LYS HG3 3.400 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1 1067 1 44 ASP QB 1 46 LYS H 3.840 . 5.880 3.601 3.601 3.601 . 0 0 "[ ]" 1 1068 1 44 ASP QB 1 46 LYS QD 4.275 . 6.750 5.026 5.026 5.026 . 0 0 "[ ]" 1 1069 1 44 ASP QB 1 46 LYS QE 4.275 . 6.750 3.921 3.921 3.921 . 0 0 "[ ]" 1 1070 1 44 ASP QB 1 46 LYS HG2 3.840 . 5.880 4.265 4.265 4.265 . 0 0 "[ ]" 1 1071 1 44 ASP QB 1 46 LYS HG3 3.840 . 5.880 3.072 3.072 3.072 . 0 0 "[ ]" 1 1072 1 45 ARG H 1 45 ARG QD 3.840 . 5.880 3.744 3.744 3.744 . 0 0 "[ ]" 1 1073 1 45 ARG H 1 45 ARG QG 3.205 . 4.610 2.646 2.646 2.646 . 0 0 "[ ]" 1 1074 1 45 ARG H 1 46 LYS H 3.140 . 4.480 3.890 3.890 3.890 . 0 0 "[ ]" 1 1075 1 45 ARG HA 1 45 ARG HB2 2.425 . 3.050 3.016 3.016 3.016 . 0 0 "[ ]" 1 1076 1 45 ARG HA 1 45 ARG HB3 2.425 . 3.050 2.602 2.602 2.602 . 0 0 "[ ]" 1 1077 1 45 ARG HA 1 45 ARG QD 3.175 . 4.550 3.982 3.982 3.982 . 0 0 "[ ]" 1 1078 1 45 ARG HA 1 45 ARG HG2 2.465 . 3.130 2.456 2.456 2.456 . 0 0 "[ ]" 1 1079 1 45 ARG HA 1 45 ARG QG 2.335 . 2.870 2.284 2.284 2.284 . 0 0 "[ ]" 1 1080 1 45 ARG HA 1 45 ARG HG3 2.465 . 3.130 2.718 2.718 2.718 . 0 0 "[ ]" 1 1081 1 45 ARG HA 1 48 LEU MD1 3.915 . 6.030 3.082 3.082 3.082 . 0 0 "[ ]" 1 1082 1 45 ARG HA 1 48 LEU MD2 3.915 . 6.030 4.681 4.681 4.681 . 0 0 "[ ]" 1 1083 1 45 ARG QB 1 48 LEU QD 4.030 . 6.260 2.258 2.258 2.258 . 0 0 "[ ]" 1 1084 1 45 ARG HB2 1 48 LEU MD1 4.790 . 7.780 3.800 3.800 3.800 . 0 0 "[ ]" 1 1085 1 45 ARG HB2 1 48 LEU MD2 4.790 . 7.780 5.341 5.341 5.341 . 0 0 "[ ]" 1 1086 1 45 ARG HB3 1 48 LEU MD1 4.790 . 7.780 2.291 2.291 2.291 . 0 0 "[ ]" 1 1087 1 45 ARG HB3 1 48 LEU MD2 4.790 . 7.780 3.964 3.964 3.964 . 0 0 "[ ]" 1 1088 1 45 ARG QD 1 48 LEU QD 5.135 . 8.470 3.202 3.202 3.202 . 0 0 "[ ]" 1 1089 1 45 ARG QG 1 48 LEU QD 3.930 . 6.060 2.797 2.797 2.797 . 0 0 "[ ]" 1 1090 1 45 ARG HG2 1 48 LEU MD1 4.530 . 7.260 2.983 2.983 2.983 . 0 0 "[ ]" 1 1091 1 45 ARG HG2 1 48 LEU MD2 4.530 . 7.260 3.611 3.611 3.611 . 0 0 "[ ]" 1 1092 1 45 ARG HG3 1 48 LEU MD1 4.530 . 7.260 4.272 4.272 4.272 . 0 0 "[ ]" 1 1093 1 45 ARG HG3 1 48 LEU MD2 4.530 . 7.260 5.131 5.131 5.131 . 0 0 "[ ]" 1 1094 1 46 LYS H 1 46 LYS QB 2.850 . 3.900 2.518 2.518 2.518 . 0 0 "[ ]" 1 1095 1 46 LYS H 1 46 LYS QD 3.840 . 5.880 4.629 4.629 4.629 . 0 0 "[ ]" 1 1096 1 46 LYS H 1 46 LYS HG2 2.985 . 4.170 3.175 3.175 3.175 . 0 0 "[ ]" 1 1097 1 46 LYS H 1 46 LYS QG 2.855 . 3.910 2.873 2.873 2.873 . 0 0 "[ ]" 1 1098 1 46 LYS H 1 46 LYS HG3 2.985 . 4.170 3.282 3.282 3.282 . 0 0 "[ ]" 1 1099 1 46 LYS H 1 47 GLY H 3.400 . 5.000 1.987 1.987 1.987 . 0 0 "[ ]" 1 1100 1 46 LYS HA 1 46 LYS QD 3.110 . 4.420 3.174 3.174 3.174 . 0 0 "[ ]" 1 1101 1 46 LYS HA 1 46 LYS QE 3.840 . 5.880 4.575 4.575 4.575 . 0 0 "[ ]" 1 1102 1 46 LYS HA 1 46 LYS HG2 2.960 . 4.120 2.364 2.364 2.364 . 0 0 "[ ]" 1 1103 1 46 LYS HA 1 46 LYS QG 2.815 . 3.830 2.334 2.334 2.334 . 0 0 "[ ]" 1 1104 1 46 LYS HA 1 46 LYS HG3 2.960 . 4.120 3.600 3.600 3.600 . 0 0 "[ ]" 1 1105 1 46 LYS HA 1 47 GLY QA 3.735 . 5.670 4.519 4.519 4.519 . 0 0 "[ ]" 1 1106 1 46 LYS HA 1 49 ASP H 3.245 . 4.690 3.425 3.425 3.425 . 0 0 "[ ]" 1 1107 1 46 LYS HA 1 49 ASP HB2 2.725 . 3.650 2.293 2.293 2.293 . 0 0 "[ ]" 1 1108 1 46 LYS HA 1 49 ASP HB3 2.725 . 3.650 2.386 2.386 2.386 . 0 0 "[ ]" 1 1109 1 46 LYS HA 1 50 LEU HG 3.400 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1 1110 1 46 LYS QB 1 46 LYS QE 4.275 . 6.750 2.664 2.664 2.664 . 0 0 "[ ]" 1 1111 1 46 LYS QB 1 47 GLY QA 4.275 . 6.750 3.775 3.775 3.775 . 0 0 "[ ]" 1 1112 1 46 LYS QB 1 49 ASP H 3.590 . 5.380 4.830 4.830 4.830 . 0 0 "[ ]" 1 1113 1 46 LYS QB 1 49 ASP HB2 3.840 . 5.880 4.332 4.332 4.332 . 0 0 "[ ]" 1 1114 1 46 LYS QB 1 49 ASP HB3 3.840 . 5.880 3.830 3.830 3.830 . 0 0 "[ ]" 1 1115 1 46 LYS QB 1 50 LEU QB 4.280 . 6.760 4.519 4.519 4.519 . 0 0 "[ ]" 1 1116 1 46 LYS QB 1 50 LEU MD1 4.350 . 6.900 2.304 2.304 2.304 . 0 0 "[ ]" 1 1117 1 46 LYS QB 1 50 LEU MD2 4.350 . 6.900 3.794 3.794 3.794 . 0 0 "[ ]" 1 1118 1 46 LYS QD 1 50 LEU MD1 4.350 . 6.900 3.109 3.109 3.109 . 0 0 "[ ]" 1 1119 1 46 LYS QD 1 50 LEU QD 3.960 . 6.120 2.952 2.952 2.952 . 0 0 "[ ]" 1 1120 1 46 LYS QD 1 50 LEU MD2 4.350 . 6.900 3.682 3.682 3.682 . 0 0 "[ ]" 1 1121 1 46 LYS QE 1 46 LYS QG 2.760 . 3.720 1.975 1.975 1.975 . 0 0 "[ ]" 1 1122 1 46 LYS QE 1 50 LEU MD1 4.350 . 6.900 3.631 3.631 3.631 . 0 0 "[ ]" 1 1123 1 46 LYS QE 1 50 LEU MD2 4.350 . 6.900 4.695 4.695 4.695 . 0 0 "[ ]" 1 1124 1 46 LYS QG 1 50 LEU QD 4.030 . 6.260 4.025 4.025 4.025 . 0 0 "[ ]" 1 1125 1 46 LYS HG2 1 50 LEU MD1 4.790 . 7.780 4.685 4.685 4.685 . 0 0 "[ ]" 1 1126 1 46 LYS HG2 1 50 LEU MD2 4.790 . 7.780 5.621 5.621 5.621 . 0 0 "[ ]" 1 1127 1 46 LYS HG3 1 50 LEU MD1 4.790 . 7.780 4.728 4.728 4.728 . 0 0 "[ ]" 1 1128 1 46 LYS HG3 1 50 LEU MD2 4.790 . 7.780 6.101 6.101 6.101 . 0 0 "[ ]" 1 1129 1 46 LYS O 1 50 LEU H 2.000 . 2.300 2.030 2.030 2.030 . 0 0 "[ ]" 1 1130 1 46 LYS O 1 50 LEU N 3.000 2.700 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1 1131 1 47 GLY H 1 48 LEU H 2.970 . 4.140 3.063 3.063 3.063 . 0 0 "[ ]" 1 1132 1 47 GLY QA 1 50 LEU H 3.355 . 4.910 3.636 3.636 3.636 . 0 0 "[ ]" 1 1133 1 47 GLY QA 1 50 LEU QB 4.280 . 6.760 3.550 3.550 3.550 . 0 0 "[ ]" 1 1134 1 47 GLY QA 1 51 LEU HB2 3.655 . 5.510 3.866 3.866 3.866 . 0 0 "[ ]" 1 1135 1 47 GLY QA 1 51 LEU MD1 4.350 . 6.900 4.102 4.102 4.102 . 0 0 "[ ]" 1 1136 1 47 GLY O 1 51 LEU H 2.000 . 2.300 1.741 1.741 1.741 . 0 0 "[ ]" 1 1137 1 47 GLY O 1 51 LEU N 3.000 2.700 3.300 2.632 2.632 2.632 0.068 1 0 "[ ]" 1 1138 1 48 LEU H 1 48 LEU HB3 2.620 . 3.440 3.258 3.258 3.258 . 0 0 "[ ]" 1 1139 1 48 LEU H 1 48 LEU MD1 3.720 . 5.640 1.939 1.939 1.939 . 0 0 "[ ]" 1 1140 1 48 LEU H 1 48 LEU MD2 3.720 . 5.640 3.594 3.594 3.594 . 0 0 "[ ]" 1 1141 1 48 LEU H 1 48 LEU HG 3.400 . 5.000 1.905 1.905 1.905 . 0 0 "[ ]" 1 1142 1 48 LEU H 1 49 ASP H 2.710 . 3.620 2.640 2.640 2.640 . 0 0 "[ ]" 1 1143 1 48 LEU HA 1 48 LEU MD1 3.395 . 4.990 3.510 3.510 3.510 . 0 0 "[ ]" 1 1144 1 48 LEU HA 1 48 LEU MD2 3.395 . 4.990 4.084 4.084 4.084 . 0 0 "[ ]" 1 1145 1 48 LEU HA 1 51 LEU H 2.645 . 3.490 2.972 2.972 2.972 . 0 0 "[ ]" 1 1146 1 48 LEU HA 1 51 LEU HB2 2.765 . 3.730 2.237 2.237 2.237 . 0 0 "[ ]" 1 1147 1 48 LEU HA 1 51 LEU HB3 2.960 . 4.120 2.090 2.090 2.090 . 0 0 "[ ]" 1 1148 1 48 LEU HA 1 51 LEU MD1 3.850 . 5.900 3.978 3.978 3.978 . 0 0 "[ ]" 1 1149 1 48 LEU HA 1 51 LEU MD2 3.915 . 6.030 2.920 2.920 2.920 . 0 0 "[ ]" 1 1150 1 48 LEU HA 1 51 LEU HG 3.400 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1 1151 1 48 LEU HA 1 52 ARG QD 3.840 . 5.880 4.402 4.402 4.402 . 0 0 "[ ]" 1 1152 1 48 LEU HA 1 79 LEU QD 4.505 . 7.210 4.853 4.853 4.853 . 0 0 "[ ]" 1 1153 1 48 LEU HB2 1 79 LEU HG 3.400 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1 1154 1 48 LEU HB2 1 83 PHE QE 4.460 . 7.120 4.311 4.311 4.311 . 0 0 "[ ]" 1 1155 1 48 LEU QD 1 49 ASP HA 4.700 . 7.600 3.153 3.153 3.153 . 0 0 "[ ]" 1 1156 1 48 LEU QD 1 51 LEU H 4.700 . 7.600 4.569 4.569 4.569 . 0 0 "[ ]" 1 1157 1 48 LEU QD 1 52 ARG QG 5.135 . 8.470 4.457 4.457 4.457 . 0 0 "[ ]" 1 1158 1 48 LEU QD 1 63 VAL QG 5.995 . 10.190 4.793 4.793 4.793 . 0 0 "[ ]" 1 1159 1 48 LEU QD 1 79 LEU QD 5.145 . 8.490 2.832 2.832 2.832 . 0 0 "[ ]" 1 1160 1 48 LEU QD 1 83 PHE QD 5.760 . 9.720 5.782 5.782 5.782 . 0 0 "[ ]" 1 1161 1 48 LEU MD1 1 52 ARG HD2 3.915 . 6.030 4.552 4.552 4.552 . 0 0 "[ ]" 1 1162 1 48 LEU MD1 1 52 ARG HD3 3.915 . 6.030 4.004 4.004 4.004 . 0 0 "[ ]" 1 1163 1 48 LEU MD1 1 79 LEU MD1 6.000 . 10.200 5.035 5.035 5.035 . 0 0 "[ ]" 1 1164 1 48 LEU MD1 1 79 LEU MD2 6.000 . 10.200 5.529 5.529 5.529 . 0 0 "[ ]" 1 1165 1 48 LEU MD1 1 83 PHE QE 4.975 . 8.150 5.776 5.776 5.776 . 0 0 "[ ]" 1 1166 1 48 LEU MD2 1 52 ARG HD2 3.915 . 6.030 4.535 4.535 4.535 . 0 0 "[ ]" 1 1167 1 48 LEU MD2 1 52 ARG HD3 3.915 . 6.030 4.856 4.856 4.856 . 0 0 "[ ]" 1 1168 1 48 LEU MD2 1 79 LEU MD1 6.000 . 10.200 2.971 2.971 2.971 . 0 0 "[ ]" 1 1169 1 48 LEU MD2 1 79 LEU MD2 6.000 . 10.200 3.700 3.700 3.700 . 0 0 "[ ]" 1 1170 1 48 LEU MD2 1 83 PHE QE 4.975 . 8.150 4.715 4.715 4.715 . 0 0 "[ ]" 1 1171 1 48 LEU HG 1 49 ASP H 3.295 . 4.790 3.741 3.741 3.741 . 0 0 "[ ]" 1 1172 1 48 LEU O 1 52 ARG H 2.000 . 2.300 1.950 1.950 1.950 . 0 0 "[ ]" 1 1173 1 48 LEU O 1 52 ARG N 3.000 2.700 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 1174 1 49 ASP H 1 50 LEU H 2.595 . 3.390 2.701 2.701 2.701 . 0 0 "[ ]" 1 1175 1 49 ASP HA 1 52 ARG H 3.155 . 4.510 4.053 4.053 4.053 . 0 0 "[ ]" 1 1176 1 49 ASP HA 1 52 ARG HD2 3.400 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1 1177 1 49 ASP HA 1 52 ARG HD3 3.400 . 5.000 2.706 2.706 2.706 . 0 0 "[ ]" 1 1178 1 49 ASP HA 1 52 ARG QG 3.840 . 5.880 4.525 4.525 4.525 . 0 0 "[ ]" 1 1179 1 49 ASP HB2 1 50 LEU H 3.295 . 4.790 3.489 3.489 3.489 . 0 0 "[ ]" 1 1180 1 49 ASP HB2 1 50 LEU HG 3.400 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1 1181 1 49 ASP HB3 1 50 LEU H 3.140 . 4.480 2.704 2.704 2.704 . 0 0 "[ ]" 1 1182 1 49 ASP HB3 1 50 LEU HG 3.400 . 5.000 2.571 2.571 2.571 . 0 0 "[ ]" 1 1183 1 50 LEU H 1 50 LEU QB 2.805 . 3.810 2.543 2.543 2.543 . 0 0 "[ ]" 1 1184 1 50 LEU H 1 50 LEU MD1 3.525 . 5.250 3.202 3.202 3.202 . 0 0 "[ ]" 1 1185 1 50 LEU H 1 50 LEU QD 3.345 . 4.890 3.024 3.024 3.024 . 0 0 "[ ]" 1 1186 1 50 LEU H 1 50 LEU MD2 3.525 . 5.250 3.717 3.717 3.717 . 0 0 "[ ]" 1 1187 1 50 LEU H 1 51 LEU H 2.570 . 3.340 2.197 2.197 2.197 . 0 0 "[ ]" 1 1188 1 50 LEU HA 1 52 ARG H 3.255 . 4.710 4.103 4.103 4.103 . 0 0 "[ ]" 1 1189 1 50 LEU HA 1 53 MET H 3.320 . 4.840 3.390 3.390 3.390 . 0 0 "[ ]" 1 1190 1 50 LEU HA 1 53 MET HB2 3.400 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1 1191 1 50 LEU HA 1 53 MET HB3 3.400 . 5.000 4.193 4.193 4.193 . 0 0 "[ ]" 1 1192 1 50 LEU HA 1 53 MET HG2 3.400 . 5.000 2.093 2.093 2.093 . 0 0 "[ ]" 1 1193 1 50 LEU HA 1 53 MET HG3 3.400 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1 1194 1 50 LEU QB 1 51 LEU H 2.780 . 3.760 2.800 2.800 2.800 . 0 0 "[ ]" 1 1195 1 50 LEU QB 1 51 LEU MD1 4.355 . 6.910 4.324 4.324 4.324 . 0 0 "[ ]" 1 1196 1 50 LEU HB2 1 51 LEU H 3.010 . 4.220 2.860 2.860 2.860 . 0 0 "[ ]" 1 1197 1 50 LEU HB3 1 51 LEU H 3.010 . 4.220 3.988 3.988 3.988 . 0 0 "[ ]" 1 1198 1 50 LEU QD 1 53 MET HB3 4.700 . 7.600 5.154 5.154 5.154 . 0 0 "[ ]" 1 1199 1 50 LEU QD 1 53 MET QG 4.030 . 6.260 3.379 3.379 3.379 . 0 0 "[ ]" 1 1200 1 50 LEU MD1 1 53 MET HG2 4.790 . 7.780 5.417 5.417 5.417 . 0 0 "[ ]" 1 1201 1 50 LEU MD1 1 53 MET HG3 4.790 . 7.780 5.948 5.948 5.948 . 0 0 "[ ]" 1 1202 1 50 LEU MD2 1 53 MET HG2 4.790 . 7.780 3.642 3.642 3.642 . 0 0 "[ ]" 1 1203 1 50 LEU MD2 1 53 MET HG3 4.790 . 7.780 4.207 4.207 4.207 . 0 0 "[ ]" 1 1204 1 51 LEU H 1 51 LEU HB2 2.425 . 3.050 2.229 2.229 2.229 . 0 0 "[ ]" 1 1205 1 51 LEU H 1 51 LEU HB3 2.555 . 3.310 2.878 2.878 2.878 . 0 0 "[ ]" 1 1206 1 51 LEU H 1 51 LEU MD1 3.630 . 5.460 3.626 3.626 3.626 . 0 0 "[ ]" 1 1207 1 51 LEU H 1 51 LEU MD2 3.600 . 5.400 4.285 4.285 4.285 . 0 0 "[ ]" 1 1208 1 51 LEU H 1 52 ARG H 2.700 . 3.600 2.648 2.648 2.648 . 0 0 "[ ]" 1 1209 1 51 LEU HA 1 51 LEU MD1 3.305 . 4.810 2.122 2.122 2.122 . 0 0 "[ ]" 1 1210 1 51 LEU HA 1 51 LEU MD2 3.420 . 5.040 3.764 3.764 3.764 . 0 0 "[ ]" 1 1211 1 51 LEU HA 1 52 ARG HA 3.385 . 4.970 4.853 4.853 4.853 . 0 0 "[ ]" 1 1212 1 51 LEU HA 1 54 LYS H 3.060 . 4.320 3.036 3.036 3.036 . 0 0 "[ ]" 1 1213 1 51 LEU HA 1 54 LYS HA 3.400 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1 1214 1 51 LEU HA 1 54 LYS HB2 3.180 . 4.560 2.312 2.312 2.312 . 0 0 "[ ]" 1 1215 1 51 LEU HA 1 54 LYS QB 2.940 . 4.080 2.282 2.282 2.282 . 0 0 "[ ]" 1 1216 1 51 LEU HA 1 54 LYS HB3 3.180 . 4.560 3.516 3.516 3.516 . 0 0 "[ ]" 1 1217 1 51 LEU HA 1 54 LYS QG 3.840 . 5.880 3.996 3.996 3.996 . 0 0 "[ ]" 1 1218 1 51 LEU HA 1 55 VAL MG1 3.915 . 6.030 3.073 3.073 3.073 . 0 0 "[ ]" 1 1219 1 51 LEU HA 1 55 VAL MG2 3.915 . 6.030 4.372 4.372 4.372 . 0 0 "[ ]" 1 1220 1 51 LEU HB3 1 55 VAL QG 4.695 . 7.590 3.558 3.558 3.558 . 0 0 "[ ]" 1 1221 1 51 LEU HB3 1 61 ILE MD 3.915 . 6.030 4.474 4.474 4.474 . 0 0 "[ ]" 1 1222 1 51 LEU MD1 1 55 VAL HA 3.915 . 6.030 4.467 4.467 4.467 . 0 0 "[ ]" 1 1223 1 51 LEU MD1 1 55 VAL MG1 4.365 . 6.930 2.852 2.852 2.852 . 0 0 "[ ]" 1 1224 1 51 LEU MD1 1 55 VAL QG 4.215 . 6.630 2.829 2.829 2.829 . 0 0 "[ ]" 1 1225 1 51 LEU MD1 1 55 VAL MG2 4.365 . 6.930 4.677 4.677 4.677 . 0 0 "[ ]" 1 1226 1 51 LEU MD1 1 61 ILE HA 3.915 . 6.030 4.648 4.648 4.648 . 0 0 "[ ]" 1 1227 1 51 LEU MD1 1 61 ILE MD 4.430 . 7.060 4.338 4.338 4.338 . 0 0 "[ ]" 1 1228 1 51 LEU MD1 1 83 PHE QD 4.975 . 8.150 6.049 6.049 6.049 . 0 0 "[ ]" 1 1229 1 51 LEU MD1 1 83 PHE QE 4.975 . 8.150 4.640 4.640 4.640 . 0 0 "[ ]" 1 1230 1 51 LEU MD1 1 83 PHE HZ 3.915 . 6.030 4.256 4.256 4.256 . 0 0 "[ ]" 1 1231 1 51 LEU MD2 1 52 ARG H 3.915 . 6.030 4.512 4.512 4.512 . 0 0 "[ ]" 1 1232 1 51 LEU MD2 1 55 VAL MG1 4.430 . 7.060 2.855 2.855 2.855 . 0 0 "[ ]" 1 1233 1 51 LEU MD2 1 55 VAL QG 4.175 . 6.550 2.824 2.824 2.824 . 0 0 "[ ]" 1 1234 1 51 LEU MD2 1 55 VAL MG2 4.430 . 7.060 4.486 4.486 4.486 . 0 0 "[ ]" 1 1235 1 51 LEU MD2 1 61 ILE HA 3.915 . 6.030 3.790 3.790 3.790 . 0 0 "[ ]" 1 1236 1 51 LEU MD2 1 61 ILE HB 3.915 . 6.030 4.020 4.020 4.020 . 0 0 "[ ]" 1 1237 1 51 LEU MD2 1 61 ILE MD 4.430 . 7.060 2.568 2.568 2.568 . 0 0 "[ ]" 1 1238 1 51 LEU MD2 1 83 PHE QD 4.975 . 8.150 4.110 4.110 4.110 . 0 0 "[ ]" 1 1239 1 51 LEU MD2 1 83 PHE QE 4.975 . 8.150 2.638 2.638 2.638 . 0 0 "[ ]" 1 1240 1 51 LEU MD2 1 83 PHE HZ 3.915 . 6.030 2.470 2.470 2.470 . 0 0 "[ ]" 1 1241 1 51 LEU HG 1 52 ARG HA 3.400 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1 1242 1 51 LEU HG 1 55 VAL MG1 3.915 . 6.030 1.891 1.891 1.891 . 0 0 "[ ]" 1 1243 1 51 LEU HG 1 55 VAL QG 3.715 . 5.630 1.887 1.887 1.887 . 0 0 "[ ]" 1 1244 1 51 LEU HG 1 55 VAL MG2 3.915 . 6.030 3.813 3.813 3.813 . 0 0 "[ ]" 1 1245 1 51 LEU HG 1 61 ILE MD 3.890 . 5.980 3.564 3.564 3.564 . 0 0 "[ ]" 1 1246 1 51 LEU HG 1 83 PHE HZ 3.400 . 5.000 2.914 2.914 2.914 . 0 0 "[ ]" 1 1247 1 51 LEU O 1 55 VAL H 2.000 . 2.300 2.087 2.087 2.087 . 0 0 "[ ]" 1 1248 1 51 LEU O 1 55 VAL N 3.000 2.700 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1 1249 1 52 ARG H 1 52 ARG HD2 3.400 . 5.000 4.545 4.545 4.545 . 0 0 "[ ]" 1 1250 1 52 ARG H 1 52 ARG QD 3.270 . 4.740 3.293 3.293 3.293 . 0 0 "[ ]" 1 1251 1 52 ARG H 1 52 ARG HD3 3.400 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1 1252 1 52 ARG H 1 52 ARG QG 3.500 . 5.200 2.703 2.703 2.703 . 0 0 "[ ]" 1 1253 1 52 ARG H 1 53 MET H 2.815 . 3.830 2.657 2.657 2.657 . 0 0 "[ ]" 1 1254 1 52 ARG H 1 83 PHE QE 4.460 . 7.120 3.991 3.991 3.991 . 0 0 "[ ]" 1 1255 1 52 ARG HA 1 52 ARG HD2 3.400 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 1 1256 1 52 ARG HA 1 52 ARG HD3 3.400 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1 1257 1 52 ARG HA 1 55 VAL H 3.310 . 4.820 4.302 4.302 4.302 . 0 0 "[ ]" 1 1258 1 52 ARG HA 1 55 VAL MG1 3.915 . 6.030 3.755 3.755 3.755 . 0 0 "[ ]" 1 1259 1 52 ARG HA 1 55 VAL QG 3.590 . 5.380 2.824 2.824 2.824 . 0 0 "[ ]" 1 1260 1 52 ARG HA 1 55 VAL MG2 3.915 . 6.030 2.920 2.920 2.920 . 0 0 "[ ]" 1 1261 1 52 ARG HA 1 82 GLU HB3 3.400 . 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 1 1262 1 52 ARG HA 1 83 PHE QD 4.460 . 7.120 3.823 3.823 3.823 . 0 0 "[ ]" 1 1263 1 52 ARG HA 1 83 PHE QE 4.460 . 7.120 1.992 1.992 1.992 . 0 0 "[ ]" 1 1264 1 52 ARG HA 1 83 PHE HZ 3.090 . 4.380 2.760 2.760 2.760 . 0 0 "[ ]" 1 1265 1 52 ARG QB 1 52 ARG QD 2.685 . 3.570 2.238 2.238 2.238 . 0 0 "[ ]" 1 1266 1 52 ARG QB 1 53 MET H 2.985 . 4.170 2.963 2.963 2.963 . 0 0 "[ ]" 1 1267 1 52 ARG QB 1 83 PHE HZ 3.840 . 5.880 4.202 4.202 4.202 . 0 0 "[ ]" 1 1268 1 52 ARG HB2 1 53 MET H 3.100 . 4.400 3.108 3.108 3.108 . 0 0 "[ ]" 1 1269 1 52 ARG HB2 1 83 PHE QE 4.460 . 7.120 4.754 4.754 4.754 . 0 0 "[ ]" 1 1270 1 52 ARG HB3 1 53 MET H 3.100 . 4.400 3.732 3.732 3.732 . 0 0 "[ ]" 1 1271 1 52 ARG HB3 1 83 PHE QE 4.460 . 7.120 4.485 4.485 4.485 . 0 0 "[ ]" 1 1272 1 52 ARG QD 1 79 LEU QD 4.675 . 7.550 4.327 4.327 4.327 . 0 0 "[ ]" 1 1273 1 52 ARG HD2 1 79 LEU MD1 5.485 . 9.170 5.126 5.126 5.126 . 0 0 "[ ]" 1 1274 1 52 ARG HD2 1 79 LEU MD2 5.485 . 9.170 5.057 5.057 5.057 . 0 0 "[ ]" 1 1275 1 52 ARG HD2 1 83 PHE QE 4.460 . 7.120 4.807 4.807 4.807 . 0 0 "[ ]" 1 1276 1 52 ARG HD2 1 83 PHE HZ 3.400 . 5.000 4.960 4.960 4.960 . 0 0 "[ ]" 1 1277 1 52 ARG HD3 1 79 LEU MD1 5.485 . 9.170 6.277 6.277 6.277 . 0 0 "[ ]" 1 1278 1 52 ARG HD3 1 79 LEU MD2 5.485 . 9.170 6.016 6.016 6.016 . 0 0 "[ ]" 1 1279 1 52 ARG HD3 1 83 PHE QE 4.460 . 7.120 5.191 5.191 5.191 . 0 0 "[ ]" 1 1280 1 52 ARG HD3 1 83 PHE HZ 3.400 . 5.000 4.886 4.886 4.886 . 0 0 "[ ]" 1 1281 1 52 ARG QG 1 53 MET H 3.840 . 5.880 4.441 4.441 4.441 . 0 0 "[ ]" 1 1282 1 52 ARG QG 1 55 VAL QG 5.130 . 8.460 4.019 4.019 4.019 . 0 0 "[ ]" 1 1283 1 52 ARG QG 1 79 LEU HA 3.840 . 5.880 3.541 3.541 3.541 . 0 0 "[ ]" 1 1284 1 52 ARG QG 1 79 LEU HB2 3.840 . 5.880 3.190 3.190 3.190 . 0 0 "[ ]" 1 1285 1 52 ARG QG 1 79 LEU HB3 3.840 . 5.880 3.993 3.993 3.993 . 0 0 "[ ]" 1 1286 1 52 ARG QG 1 79 LEU HG 3.840 . 5.880 5.194 5.194 5.194 . 0 0 "[ ]" 1 1287 1 52 ARG QG 1 83 PHE QE 4.900 . 8.000 3.139 3.139 3.139 . 0 0 "[ ]" 1 1288 1 52 ARG QG 1 83 PHE HZ 3.840 . 5.880 2.661 2.661 2.661 . 0 0 "[ ]" 1 1289 1 53 MET H 1 54 LYS H 2.775 . 3.750 2.276 2.276 2.276 . 0 0 "[ ]" 1 1290 1 53 MET HB3 1 54 LYS H 3.400 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1 1291 1 53 MET ME 1 54 LYS H 3.915 . 6.030 4.877 4.877 4.877 . 0 0 "[ ]" 1 1292 1 54 LYS H 1 54 LYS QB 2.685 . 3.570 2.314 2.314 2.314 . 0 0 "[ ]" 1 1293 1 54 LYS H 1 54 LYS QD 3.840 . 5.880 4.751 4.751 4.751 . 0 0 "[ ]" 1 1294 1 54 LYS H 1 55 VAL H 2.830 . 3.860 2.022 2.022 2.022 . 0 0 "[ ]" 1 1295 1 54 LYS HA 1 54 LYS HD2 3.400 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1 1296 1 54 LYS HA 1 54 LYS HD3 3.400 . 5.000 2.920 2.920 2.920 . 0 0 "[ ]" 1 1297 1 54 LYS HA 1 54 LYS QE 3.825 . 5.850 3.298 3.298 3.298 . 0 0 "[ ]" 1 1298 1 54 LYS QB 1 55 VAL QG 4.030 . 6.260 3.387 3.387 3.387 . 0 0 "[ ]" 1 1299 1 54 LYS HB2 1 55 VAL MG1 4.790 . 7.780 3.909 3.909 3.909 . 0 0 "[ ]" 1 1300 1 54 LYS HB2 1 55 VAL MG2 4.790 . 7.780 4.692 4.692 4.692 . 0 0 "[ ]" 1 1301 1 54 LYS HB3 1 55 VAL MG1 4.790 . 7.780 4.047 4.047 4.047 . 0 0 "[ ]" 1 1302 1 54 LYS HB3 1 55 VAL MG2 4.790 . 7.780 5.037 5.037 5.037 . 0 0 "[ ]" 1 1303 1 55 VAL H 1 55 VAL MG1 3.045 . 4.290 2.135 2.135 2.135 . 0 0 "[ ]" 1 1304 1 55 VAL H 1 55 VAL QG 2.835 . 3.870 1.812 1.812 1.812 . 0 0 "[ ]" 1 1305 1 55 VAL H 1 55 VAL MG2 3.045 . 4.290 1.959 1.959 1.959 . 0 0 "[ ]" 1 1306 1 55 VAL HA 1 56 GLU H 2.475 . 3.150 2.271 2.271 2.271 . 0 0 "[ ]" 1 1307 1 55 VAL HA 1 59 ASP HB2 3.400 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1 1308 1 55 VAL HA 1 59 ASP QB 3.235 . 4.670 3.329 3.329 3.329 . 0 0 "[ ]" 1 1309 1 55 VAL HA 1 59 ASP HB3 3.400 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 1 1310 1 55 VAL HA 1 61 ILE MD 3.915 . 6.030 4.834 4.834 4.834 . 0 0 "[ ]" 1 1311 1 55 VAL HA 1 88 VAL MG1 3.915 . 6.030 4.272 4.272 4.272 . 0 0 "[ ]" 1 1312 1 55 VAL HA 1 88 VAL MG2 3.915 . 6.030 4.372 4.372 4.372 . 0 0 "[ ]" 1 1313 1 55 VAL HB 1 59 ASP HB2 3.400 . 5.000 3.118 3.118 3.118 . 0 0 "[ ]" 1 1314 1 55 VAL HB 1 59 ASP HB3 3.400 . 5.000 3.102 3.102 3.102 . 0 0 "[ ]" 1 1315 1 55 VAL HB 1 61 ILE MD 3.915 . 6.030 3.266 3.266 3.266 . 0 0 "[ ]" 1 1316 1 55 VAL HB 1 83 PHE QD 4.460 . 7.120 4.003 4.003 4.003 . 0 0 "[ ]" 1 1317 1 55 VAL HB 1 83 PHE QE 4.460 . 7.120 3.917 3.917 3.917 . 0 0 "[ ]" 1 1318 1 55 VAL QG 1 56 GLU H 3.255 . 4.710 3.396 3.396 3.396 . 0 0 "[ ]" 1 1319 1 55 VAL QG 1 56 GLU HA 4.695 . 7.590 3.970 3.970 3.970 . 0 0 "[ ]" 1 1320 1 55 VAL QG 1 56 GLU QB 4.670 . 7.540 4.577 4.577 4.577 . 0 0 "[ ]" 1 1321 1 55 VAL QG 1 59 ASP QB 4.600 . 7.400 3.135 3.135 3.135 . 0 0 "[ ]" 1 1322 1 55 VAL QG 1 61 ILE MD 4.260 . 6.720 1.904 1.904 1.904 . 0 0 "[ ]" 1 1323 1 55 VAL QG 1 83 PHE H 4.605 . 7.410 5.404 5.404 5.404 . 0 0 "[ ]" 1 1324 1 55 VAL QG 1 83 PHE HA 4.695 . 7.590 3.668 3.668 3.668 . 0 0 "[ ]" 1 1325 1 55 VAL QG 1 83 PHE QB 5.135 . 8.470 3.848 3.848 3.848 . 0 0 "[ ]" 1 1326 1 55 VAL QG 1 88 VAL HA 4.695 . 7.590 4.911 4.911 4.911 . 0 0 "[ ]" 1 1327 1 55 VAL QG 1 88 VAL QG 4.085 . 6.370 2.089 2.089 2.089 . 0 0 "[ ]" 1 1328 1 55 VAL MG1 1 56 GLU H 3.435 . 5.070 3.815 3.815 3.815 . 0 0 "[ ]" 1 1329 1 55 VAL MG1 1 56 GLU HB2 5.475 . 9.150 5.737 5.737 5.737 . 0 0 "[ ]" 1 1330 1 55 VAL MG1 1 56 GLU HB3 5.475 . 9.150 6.268 6.268 6.268 . 0 0 "[ ]" 1 1331 1 55 VAL MG1 1 61 ILE MD 4.430 . 7.060 1.921 1.921 1.921 . 0 0 "[ ]" 1 1332 1 55 VAL MG1 1 83 PHE QD 4.975 . 8.150 3.224 3.224 3.224 . 0 0 "[ ]" 1 1333 1 55 VAL MG1 1 83 PHE QE 4.975 . 8.150 2.245 2.245 2.245 . 0 0 "[ ]" 1 1334 1 55 VAL MG1 1 83 PHE HZ 3.915 . 6.030 3.040 3.040 3.040 . 0 0 "[ ]" 1 1335 1 55 VAL MG1 1 88 VAL MG1 4.430 . 7.060 2.666 2.666 2.666 . 0 0 "[ ]" 1 1336 1 55 VAL MG1 1 88 VAL MG2 4.430 . 7.060 3.558 3.558 3.558 . 0 0 "[ ]" 1 1337 1 55 VAL MG2 1 56 GLU H 3.435 . 5.070 3.810 3.810 3.810 . 0 0 "[ ]" 1 1338 1 55 VAL MG2 1 56 GLU HB2 5.475 . 9.150 5.457 5.457 5.457 . 0 0 "[ ]" 1 1339 1 55 VAL MG2 1 56 GLU HB3 5.475 . 9.150 5.795 5.795 5.795 . 0 0 "[ ]" 1 1340 1 55 VAL MG2 1 61 ILE MD 4.430 . 7.060 3.116 3.116 3.116 . 0 0 "[ ]" 1 1341 1 55 VAL MG2 1 83 PHE QD 4.975 . 8.150 2.114 2.114 2.114 . 0 0 "[ ]" 1 1342 1 55 VAL MG2 1 83 PHE QE 4.975 . 8.150 1.854 1.854 1.854 . 0 0 "[ ]" 1 1343 1 55 VAL MG2 1 83 PHE HZ 3.915 . 6.030 3.780 3.780 3.780 . 0 0 "[ ]" 1 1344 1 55 VAL MG2 1 88 VAL MG1 4.430 . 7.060 2.982 2.982 2.982 . 0 0 "[ ]" 1 1345 1 55 VAL MG2 1 88 VAL MG2 4.430 . 7.060 2.268 2.268 2.268 . 0 0 "[ ]" 1 1346 1 56 GLU H 1 56 GLU HB2 2.635 . 3.470 2.472 2.472 2.472 . 0 0 "[ ]" 1 1347 1 56 GLU H 1 56 GLU QB 2.520 . 3.240 2.354 2.354 2.354 . 0 0 "[ ]" 1 1348 1 56 GLU H 1 56 GLU HB3 2.635 . 3.470 2.954 2.954 2.954 . 0 0 "[ ]" 1 1349 1 56 GLU H 1 56 GLU HG2 3.400 . 5.000 4.752 4.752 4.752 . 0 0 "[ ]" 1 1350 1 56 GLU H 1 56 GLU QG 3.320 . 4.840 4.021 4.021 4.021 . 0 0 "[ ]" 1 1351 1 56 GLU H 1 56 GLU HG3 3.400 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1 1352 1 56 GLU H 1 57 GLU H 3.400 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1 1353 1 56 GLU H 1 59 ASP H 2.970 . 4.140 4.138 4.138 4.138 . 0 0 "[ ]" 1 1354 1 56 GLU H 1 59 ASP HB2 2.855 . 3.910 2.124 2.124 2.124 . 0 0 "[ ]" 1 1355 1 56 GLU H 1 59 ASP QB 2.765 . 3.730 2.087 2.087 2.087 . 0 0 "[ ]" 1 1356 1 56 GLU H 1 59 ASP HB3 2.855 . 3.910 3.056 3.056 3.056 . 0 0 "[ ]" 1 1357 1 56 GLU H 1 59 ASP OD1 2.000 . 2.300 3.848 3.848 3.848 1.548 1 1 [+] 1 1358 1 56 GLU H 1 88 VAL QG 4.695 . 7.590 3.400 3.400 3.400 . 0 0 "[ ]" 1 1359 1 56 GLU HA 1 56 GLU HG2 2.700 . 3.600 3.070 3.070 3.070 . 0 0 "[ ]" 1 1360 1 56 GLU HA 1 56 GLU QG 2.580 . 3.360 2.005 2.005 2.005 . 0 0 "[ ]" 1 1361 1 56 GLU HA 1 56 GLU HG3 2.700 . 3.600 2.032 2.032 2.032 . 0 0 "[ ]" 1 1362 1 56 GLU HA 1 57 GLU HA 3.190 . 4.580 4.367 4.367 4.367 . 0 0 "[ ]" 1 1363 1 56 GLU HA 1 88 VAL QG 4.395 . 6.990 4.182 4.182 4.182 . 0 0 "[ ]" 1 1364 1 56 GLU QB 1 56 GLU QG 2.140 . 2.480 2.081 2.081 2.081 . 0 0 "[ ]" 1 1365 1 56 GLU QB 1 59 ASP QB 3.800 . 5.800 3.068 3.068 3.068 . 0 0 "[ ]" 1 1366 1 56 GLU QB 1 88 VAL QG 5.135 . 8.470 4.228 4.228 4.228 . 0 0 "[ ]" 1 1367 1 56 GLU HB2 1 59 ASP HB2 4.275 . 6.750 3.848 3.848 3.848 . 0 0 "[ ]" 1 1368 1 56 GLU HB2 1 59 ASP HB3 4.275 . 6.750 5.041 5.041 5.041 . 0 0 "[ ]" 1 1369 1 56 GLU HB3 1 59 ASP HB2 4.275 . 6.750 3.316 3.316 3.316 . 0 0 "[ ]" 1 1370 1 56 GLU HB3 1 59 ASP HB3 4.275 . 6.750 4.844 4.844 4.844 . 0 0 "[ ]" 1 1371 1 56 GLU N 1 59 ASP OD1 3.000 2.700 3.300 4.812 4.812 4.812 1.512 1 1 [+] 1 1372 1 56 GLU O 1 59 ASP H 2.000 . 2.300 2.326 2.326 2.326 0.026 1 0 "[ ]" 1 1373 1 56 GLU O 1 59 ASP N 3.000 2.700 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 1 1374 1 57 GLU H 1 57 GLU QB 2.740 . 3.680 2.155 2.155 2.155 . 0 0 "[ ]" 1 1375 1 57 GLU H 1 58 GLY H 3.360 . 4.920 4.433 4.433 4.433 . 0 0 "[ ]" 1 1376 1 57 GLU H 1 88 VAL QG 4.345 . 6.890 4.344 4.344 4.344 . 0 0 "[ ]" 1 1377 1 57 GLU HA 1 57 GLU HG2 3.010 . 4.220 2.857 2.857 2.857 . 0 0 "[ ]" 1 1378 1 57 GLU HA 1 57 GLU HG3 3.010 . 4.220 2.158 2.158 2.158 . 0 0 "[ ]" 1 1379 1 57 GLU HA 1 58 GLY H 2.530 . 3.260 2.184 2.184 2.184 . 0 0 "[ ]" 1 1380 1 57 GLU HA 1 59 ASP H 2.750 . 3.700 3.733 3.733 3.733 0.033 1 0 "[ ]" 1 1381 1 57 GLU HA 1 88 VAL QG 4.695 . 7.590 2.788 2.788 2.788 . 0 0 "[ ]" 1 1382 1 57 GLU QG 1 58 GLY QA 4.275 . 6.750 3.958 3.958 3.958 . 0 0 "[ ]" 1 1383 1 57 GLU QG 1 87 GLY QA 4.280 . 6.760 2.925 2.925 2.925 . 0 0 "[ ]" 1 1384 1 57 GLU HG2 1 58 GLY H 3.400 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1 1385 1 57 GLU HG3 1 58 GLY H 3.400 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1 1386 1 58 GLY H 1 59 ASP H 2.765 . 3.730 2.223 2.223 2.223 . 0 0 "[ ]" 1 1387 1 58 GLY H 1 88 VAL MG1 3.915 . 6.030 3.878 3.878 3.878 . 0 0 "[ ]" 1 1388 1 58 GLY H 1 88 VAL QG 3.620 . 5.440 2.552 2.552 2.552 . 0 0 "[ ]" 1 1389 1 58 GLY H 1 88 VAL MG2 3.915 . 6.030 2.589 2.589 2.589 . 0 0 "[ ]" 1 1390 1 59 ASP H 1 59 ASP HB2 2.750 . 3.700 2.213 2.213 2.213 . 0 0 "[ ]" 1 1391 1 59 ASP H 1 59 ASP HB3 2.750 . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1 1392 1 59 ASP H 1 88 VAL HA 2.985 . 4.170 2.661 2.661 2.661 . 0 0 "[ ]" 1 1393 1 59 ASP H 1 88 VAL HB 3.400 . 5.000 4.768 4.768 4.768 . 0 0 "[ ]" 1 1394 1 59 ASP H 1 88 VAL MG1 3.655 . 5.510 2.553 2.553 2.553 . 0 0 "[ ]" 1 1395 1 59 ASP H 1 88 VAL QG 3.240 . 4.680 2.279 2.279 2.279 . 0 0 "[ ]" 1 1396 1 59 ASP H 1 88 VAL MG2 3.655 . 5.510 2.564 2.564 2.564 . 0 0 "[ ]" 1 1397 1 59 ASP HA 1 60 VAL H 2.530 . 3.260 2.375 2.375 2.375 . 0 0 "[ ]" 1 1398 1 59 ASP HA 1 60 VAL MG1 3.915 . 6.030 3.995 3.995 3.995 . 0 0 "[ ]" 1 1399 1 59 ASP HA 1 60 VAL MG2 3.915 . 6.030 3.513 3.513 3.513 . 0 0 "[ ]" 1 1400 1 59 ASP HA 1 88 VAL MG1 3.915 . 6.030 3.899 3.899 3.899 . 0 0 "[ ]" 1 1401 1 59 ASP HA 1 88 VAL MG2 3.915 . 6.030 4.822 4.822 4.822 . 0 0 "[ ]" 1 1402 1 59 ASP QB 1 60 VAL H 3.035 . 4.270 2.988 2.988 2.988 . 0 0 "[ ]" 1 1403 1 59 ASP QB 1 60 VAL QG 4.265 . 6.730 4.025 4.025 4.025 . 0 0 "[ ]" 1 1404 1 59 ASP QB 1 88 VAL QG 3.620 . 5.440 2.157 2.157 2.157 . 0 0 "[ ]" 1 1405 1 59 ASP HB2 1 60 VAL H 3.335 . 4.870 4.183 4.183 4.183 . 0 0 "[ ]" 1 1406 1 59 ASP HB2 1 60 VAL MG1 4.790 . 7.780 5.879 5.879 5.879 . 0 0 "[ ]" 1 1407 1 59 ASP HB2 1 60 VAL MG2 4.790 . 7.780 5.465 5.465 5.465 . 0 0 "[ ]" 1 1408 1 59 ASP HB2 1 88 VAL MG1 3.915 . 6.030 2.742 2.742 2.742 . 0 0 "[ ]" 1 1409 1 59 ASP HB2 1 88 VAL MG2 3.915 . 6.030 2.845 2.845 2.845 . 0 0 "[ ]" 1 1410 1 59 ASP HB3 1 60 VAL H 3.335 . 4.870 3.060 3.060 3.060 . 0 0 "[ ]" 1 1411 1 59 ASP HB3 1 60 VAL MG1 4.790 . 7.780 5.165 5.165 5.165 . 0 0 "[ ]" 1 1412 1 59 ASP HB3 1 60 VAL MG2 4.790 . 7.780 4.498 4.498 4.498 . 0 0 "[ ]" 1 1413 1 59 ASP HB3 1 88 VAL MG1 3.915 . 6.030 2.403 2.403 2.403 . 0 0 "[ ]" 1 1414 1 59 ASP HB3 1 88 VAL MG2 3.915 . 6.030 3.536 3.536 3.536 . 0 0 "[ ]" 1 1415 1 59 ASP O 1 89 SER H 2.000 . 2.300 1.813 1.813 1.813 . 0 0 "[ ]" 1 1416 1 59 ASP O 1 89 SER N 3.000 2.700 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1 1417 1 60 VAL HA 1 61 ILE H 2.295 . 2.790 2.168 2.168 2.168 . 0 0 "[ ]" 1 1418 1 60 VAL HA 1 61 ILE HB 3.400 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1 1419 1 60 VAL HA 1 61 ILE MD 3.915 . 6.030 4.549 4.549 4.549 . 0 0 "[ ]" 1 1420 1 60 VAL HA 1 88 VAL QG 4.500 . 7.200 3.319 3.319 3.319 . 0 0 "[ ]" 1 1421 1 60 VAL HA 1 89 SER H 2.605 . 3.410 2.984 2.984 2.984 . 0 0 "[ ]" 1 1422 1 60 VAL HA 1 89 SER HA 3.205 . 4.610 4.622 4.622 4.622 0.012 1 0 "[ ]" 1 1423 1 60 VAL HA 1 89 SER QB 3.420 . 5.040 2.693 2.693 2.693 . 0 0 "[ ]" 1 1424 1 60 VAL HA 1 90 ILE HA 3.010 . 4.220 3.930 3.930 3.930 . 0 0 "[ ]" 1 1425 1 60 VAL HA 1 91 ARG H 3.400 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1 1426 1 60 VAL HB 1 61 ILE H 3.400 . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1 1427 1 60 VAL QG 1 61 ILE H 3.250 . 4.700 3.500 3.500 3.500 . 0 0 "[ ]" 1 1428 1 60 VAL QG 1 61 ILE HA 4.695 . 7.590 4.269 4.269 4.269 . 0 0 "[ ]" 1 1429 1 60 VAL QG 1 62 LEU HA 4.695 . 7.590 5.149 5.149 5.149 . 0 0 "[ ]" 1 1430 1 60 VAL QG 1 62 LEU HB2 4.695 . 7.590 4.737 4.737 4.737 . 0 0 "[ ]" 1 1431 1 60 VAL QG 1 62 LEU QD 5.040 . 8.280 3.834 3.834 3.834 . 0 0 "[ ]" 1 1432 1 60 VAL QG 1 89 SER H 4.280 . 6.760 3.653 3.653 3.653 . 0 0 "[ ]" 1 1433 1 60 VAL QG 1 90 ILE HA 4.695 . 7.590 4.520 4.520 4.520 . 0 0 "[ ]" 1 1434 1 60 VAL QG 1 91 ARG H 4.590 . 7.380 3.997 3.997 3.997 . 0 0 "[ ]" 1 1435 1 60 VAL QG 1 91 ARG QB 3.980 . 6.160 4.055 4.055 4.055 . 0 0 "[ ]" 1 1436 1 60 VAL QG 1 91 ARG QD 5.135 . 8.470 3.229 3.229 3.229 . 0 0 "[ ]" 1 1437 1 60 VAL MG1 1 61 ILE H 3.550 . 5.300 3.734 3.734 3.734 . 0 0 "[ ]" 1 1438 1 60 VAL MG1 1 62 LEU MD1 6.000 . 10.200 5.302 5.302 5.302 . 0 0 "[ ]" 1 1439 1 60 VAL MG1 1 62 LEU MD2 6.000 . 10.200 5.524 5.524 5.524 . 0 0 "[ ]" 1 1440 1 60 VAL MG1 1 89 SER QB 3.885 . 5.970 2.324 2.324 2.324 . 0 0 "[ ]" 1 1441 1 60 VAL MG1 1 91 ARG HB2 4.790 . 7.780 4.681 4.681 4.681 . 0 0 "[ ]" 1 1442 1 60 VAL MG1 1 91 ARG HB3 4.790 . 7.780 5.303 5.303 5.303 . 0 0 "[ ]" 1 1443 1 60 VAL MG2 1 61 ILE H 3.550 . 5.300 4.228 4.228 4.228 . 0 0 "[ ]" 1 1444 1 60 VAL MG2 1 62 LEU MD1 6.000 . 10.200 4.166 4.166 4.166 . 0 0 "[ ]" 1 1445 1 60 VAL MG2 1 62 LEU MD2 6.000 . 10.200 5.341 5.341 5.341 . 0 0 "[ ]" 1 1446 1 60 VAL MG2 1 89 SER QB 3.885 . 5.970 4.456 4.456 4.456 . 0 0 "[ ]" 1 1447 1 60 VAL MG2 1 91 ARG HB2 4.790 . 7.780 5.014 5.014 5.014 . 0 0 "[ ]" 1 1448 1 60 VAL MG2 1 91 ARG HB3 4.790 . 7.780 5.982 5.982 5.982 . 0 0 "[ ]" 1 1449 1 61 ILE H 1 61 ILE HB 2.605 . 3.410 2.455 2.455 2.455 . 0 0 "[ ]" 1 1450 1 61 ILE H 1 61 ILE MD 3.900 . 6.000 3.392 3.392 3.392 . 0 0 "[ ]" 1 1451 1 61 ILE H 1 61 ILE HG12 3.245 . 4.690 4.053 4.053 4.053 . 0 0 "[ ]" 1 1452 1 61 ILE H 1 61 ILE HG13 3.245 . 4.690 2.694 2.694 2.694 . 0 0 "[ ]" 1 1453 1 61 ILE H 1 88 VAL QG 4.225 . 6.650 3.363 3.363 3.363 . 0 0 "[ ]" 1 1454 1 61 ILE H 1 89 SER QB 3.840 . 5.880 3.706 3.706 3.706 . 0 0 "[ ]" 1 1455 1 61 ILE H 1 89 SER O 2.000 . 2.300 1.790 1.790 1.790 . 0 0 "[ ]" 1 1456 1 61 ILE H 1 90 ILE HA 2.635 . 3.470 2.104 2.104 2.104 . 0 0 "[ ]" 1 1457 1 61 ILE H 1 90 ILE MD 3.915 . 6.030 5.066 5.066 5.066 . 0 0 "[ ]" 1 1458 1 61 ILE H 1 90 ILE MG 3.915 . 6.030 3.799 3.799 3.799 . 0 0 "[ ]" 1 1459 1 61 ILE HA 1 62 LEU H 2.515 . 3.230 2.237 2.237 2.237 . 0 0 "[ ]" 1 1460 1 61 ILE HA 1 90 ILE HA 3.400 . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1 1461 1 61 ILE HB 1 88 VAL QG 4.695 . 7.590 3.717 3.717 3.717 . 0 0 "[ ]" 1 1462 1 61 ILE HB 1 90 ILE HA 3.385 . 4.970 2.115 2.115 2.115 . 0 0 "[ ]" 1 1463 1 61 ILE HB 1 90 ILE MD 3.330 . 4.860 3.536 3.536 3.536 . 0 0 "[ ]" 1 1464 1 61 ILE HB 1 90 ILE HG12 3.400 . 5.000 1.970 1.970 1.970 . 0 0 "[ ]" 1 1465 1 61 ILE HB 1 90 ILE HG13 3.400 . 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 1 1466 1 61 ILE HB 1 90 ILE MG 3.705 . 5.610 2.145 2.145 2.145 . 0 0 "[ ]" 1 1467 1 61 ILE MD 1 83 PHE H 3.915 . 6.030 4.863 4.863 4.863 . 0 0 "[ ]" 1 1468 1 61 ILE MD 1 83 PHE HB2 3.915 . 6.030 3.331 3.331 3.331 . 0 0 "[ ]" 1 1469 1 61 ILE MD 1 83 PHE HB3 3.915 . 6.030 2.604 2.604 2.604 . 0 0 "[ ]" 1 1470 1 61 ILE MD 1 83 PHE QD 4.975 . 8.150 2.539 2.539 2.539 . 0 0 "[ ]" 1 1471 1 61 ILE MD 1 83 PHE QE 4.975 . 8.150 2.734 2.734 2.734 . 0 0 "[ ]" 1 1472 1 61 ILE MD 1 83 PHE HZ 3.915 . 6.030 3.368 3.368 3.368 . 0 0 "[ ]" 1 1473 1 61 ILE MD 1 88 VAL HA 3.915 . 6.030 4.793 4.793 4.793 . 0 0 "[ ]" 1 1474 1 61 ILE MD 1 88 VAL MG1 4.430 . 7.060 1.850 1.850 1.850 . 0 0 "[ ]" 1 1475 1 61 ILE MD 1 88 VAL QG 4.260 . 6.720 1.844 1.844 1.844 . 0 0 "[ ]" 1 1476 1 61 ILE MD 1 88 VAL MG2 4.430 . 7.060 3.567 3.567 3.567 . 0 0 "[ ]" 1 1477 1 61 ILE MD 1 90 ILE HA 3.915 . 6.030 3.569 3.569 3.569 . 0 0 "[ ]" 1 1478 1 61 ILE MD 1 90 ILE HB 3.915 . 6.030 4.635 4.635 4.635 . 0 0 "[ ]" 1 1479 1 61 ILE MD 1 90 ILE MD 4.350 . 6.900 2.908 2.908 2.908 . 0 0 "[ ]" 1 1480 1 61 ILE MD 1 90 ILE HG12 3.915 . 6.030 2.001 2.001 2.001 . 0 0 "[ ]" 1 1481 1 61 ILE MD 1 90 ILE HG13 3.915 . 6.030 3.014 3.014 3.014 . 0 0 "[ ]" 1 1482 1 61 ILE MD 1 90 ILE MG 4.430 . 7.060 3.298 3.298 3.298 . 0 0 "[ ]" 1 1483 1 61 ILE QG 1 88 VAL QG 3.890 . 5.980 2.403 2.403 2.403 . 0 0 "[ ]" 1 1484 1 61 ILE QG 1 90 ILE MG 3.810 . 5.820 4.050 4.050 4.050 . 0 0 "[ ]" 1 1485 1 61 ILE HG12 1 88 VAL MG1 4.790 . 7.780 3.426 3.426 3.426 . 0 0 "[ ]" 1 1486 1 61 ILE HG12 1 88 VAL MG2 4.790 . 7.780 5.429 5.429 5.429 . 0 0 "[ ]" 1 1487 1 61 ILE HG13 1 88 VAL MG1 4.790 . 7.780 2.466 2.466 2.466 . 0 0 "[ ]" 1 1488 1 61 ILE HG13 1 88 VAL MG2 4.790 . 7.780 4.704 4.704 4.704 . 0 0 "[ ]" 1 1489 1 61 ILE MG 1 62 LEU H 3.575 . 5.350 3.374 3.374 3.374 . 0 0 "[ ]" 1 1490 1 61 ILE MG 1 63 VAL HA 3.915 . 6.030 4.138 4.138 4.138 . 0 0 "[ ]" 1 1491 1 61 ILE MG 1 63 VAL HB 3.915 . 6.030 4.715 4.715 4.715 . 0 0 "[ ]" 1 1492 1 61 ILE MG 1 63 VAL MG1 4.430 . 7.060 4.266 4.266 4.266 . 0 0 "[ ]" 1 1493 1 61 ILE MG 1 63 VAL QG 4.270 . 6.740 2.237 2.237 2.237 . 0 0 "[ ]" 1 1494 1 61 ILE MG 1 63 VAL MG2 4.430 . 7.060 2.245 2.245 2.245 . 0 0 "[ ]" 1 1495 1 61 ILE MG 1 90 ILE HA 3.915 . 6.030 3.479 3.479 3.479 . 0 0 "[ ]" 1 1496 1 61 ILE MG 1 90 ILE MD 3.570 . 5.340 3.496 3.496 3.496 . 0 0 "[ ]" 1 1497 1 61 ILE MG 1 90 ILE MG 4.430 . 7.060 2.100 2.100 2.100 . 0 0 "[ ]" 1 1498 1 61 ILE N 1 89 SER O 3.000 2.700 3.300 2.683 2.683 2.683 0.017 1 0 "[ ]" 1 1499 1 61 ILE O 1 91 ARG H 2.000 . 2.300 2.234 2.234 2.234 . 0 0 "[ ]" 1 1500 1 61 ILE O 1 91 ARG N 3.000 2.700 3.300 2.772 2.772 2.772 . 0 0 "[ ]" 1 1501 1 62 LEU H 1 62 LEU HB3 2.815 . 3.830 3.387 3.387 3.387 . 0 0 "[ ]" 1 1502 1 62 LEU H 1 62 LEU MD1 3.915 . 6.030 3.924 3.924 3.924 . 0 0 "[ ]" 1 1503 1 62 LEU H 1 62 LEU MD2 3.915 . 6.030 4.144 4.144 4.144 . 0 0 "[ ]" 1 1504 1 62 LEU H 1 62 LEU HG 3.400 . 5.000 3.411 3.411 3.411 . 0 0 "[ ]" 1 1505 1 62 LEU HA 1 62 LEU MD1 3.370 . 4.940 3.714 3.714 3.714 . 0 0 "[ ]" 1 1506 1 62 LEU HA 1 62 LEU QD 3.110 . 4.420 1.950 1.950 1.950 . 0 0 "[ ]" 1 1507 1 62 LEU HA 1 62 LEU MD2 3.370 . 4.940 1.957 1.957 1.957 . 0 0 "[ ]" 1 1508 1 62 LEU HA 1 63 VAL H 2.400 . 3.000 2.193 2.193 2.193 . 0 0 "[ ]" 1 1509 1 62 LEU HA 1 63 VAL QG 4.695 . 7.590 3.543 3.543 3.543 . 0 0 "[ ]" 1 1510 1 62 LEU HA 1 90 ILE MG 3.915 . 6.030 3.967 3.967 3.967 . 0 0 "[ ]" 1 1511 1 62 LEU HA 1 91 ARG H 2.700 . 3.600 2.883 2.883 2.883 . 0 0 "[ ]" 1 1512 1 62 LEU HA 1 91 ARG QB 3.840 . 5.880 2.167 2.167 2.167 . 0 0 "[ ]" 1 1513 1 62 LEU HA 1 91 ARG HG2 3.400 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1 1514 1 62 LEU HA 1 91 ARG HG3 3.400 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 1 1515 1 62 LEU HB2 1 91 ARG QB 3.840 . 5.880 3.962 3.962 3.962 . 0 0 "[ ]" 1 1516 1 62 LEU HB3 1 63 VAL HA 3.350 . 4.900 4.440 4.440 4.440 . 0 0 "[ ]" 1 1517 1 62 LEU QD 1 63 VAL H 3.725 . 5.650 2.537 2.537 2.537 . 0 0 "[ ]" 1 1518 1 62 LEU QD 1 63 VAL HA 4.700 . 7.600 4.512 4.512 4.512 . 0 0 "[ ]" 1 1519 1 62 LEU QD 1 91 ARG HA 4.700 . 7.600 3.895 3.895 3.895 . 0 0 "[ ]" 1 1520 1 62 LEU QD 1 91 ARG QB 3.980 . 6.160 1.791 1.791 1.791 0.009 1 0 "[ ]" 1 1521 1 62 LEU QD 1 91 ARG QD 3.690 . 5.580 2.625 2.625 2.625 . 0 0 "[ ]" 1 1522 1 62 LEU QD 1 92 PHE HA 4.555 . 7.310 3.504 3.504 3.504 . 0 0 "[ ]" 1 1523 1 62 LEU MD1 1 63 VAL H 3.915 . 6.030 4.973 4.973 4.973 . 0 0 "[ ]" 1 1524 1 62 LEU MD1 1 91 ARG HB2 4.700 . 7.600 3.584 3.584 3.584 . 0 0 "[ ]" 1 1525 1 62 LEU MD1 1 91 ARG HB3 4.700 . 7.600 3.993 3.993 3.993 . 0 0 "[ ]" 1 1526 1 62 LEU MD1 1 91 ARG HD2 3.915 . 6.030 3.538 3.538 3.538 . 0 0 "[ ]" 1 1527 1 62 LEU MD1 1 91 ARG HD3 3.915 . 6.030 3.854 3.854 3.854 . 0 0 "[ ]" 1 1528 1 62 LEU MD2 1 63 VAL H 3.915 . 6.030 2.545 2.545 2.545 . 0 0 "[ ]" 1 1529 1 62 LEU MD2 1 91 ARG HB2 4.700 . 7.600 2.097 2.097 2.097 . 0 0 "[ ]" 1 1530 1 62 LEU MD2 1 91 ARG HB3 4.700 . 7.600 1.956 1.956 1.956 . 0 0 "[ ]" 1 1531 1 62 LEU MD2 1 91 ARG HD2 3.915 . 6.030 3.492 3.492 3.492 . 0 0 "[ ]" 1 1532 1 62 LEU MD2 1 91 ARG HD3 3.915 . 6.030 2.898 2.898 2.898 . 0 0 "[ ]" 1 1533 1 62 LEU HG 1 63 VAL H 3.155 . 4.510 4.473 4.473 4.473 . 0 0 "[ ]" 1 1534 1 62 LEU HG 1 91 ARG HB2 2.735 . 3.670 1.975 1.975 1.975 . 0 0 "[ ]" 1 1535 1 62 LEU HG 1 91 ARG QB 2.510 . 3.220 1.957 1.957 1.957 . 0 0 "[ ]" 1 1536 1 62 LEU HG 1 91 ARG HB3 2.735 . 3.670 3.200 3.200 3.200 . 0 0 "[ ]" 1 1537 1 62 LEU HG 1 91 ARG HD2 3.400 . 5.000 3.192 3.192 3.192 . 0 0 "[ ]" 1 1538 1 62 LEU HG 1 91 ARG QD 2.965 . 4.130 3.015 3.015 3.015 . 0 0 "[ ]" 1 1539 1 62 LEU HG 1 91 ARG HD3 3.400 . 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1 1540 1 63 VAL H 1 63 VAL HB 2.530 . 3.260 2.615 2.615 2.615 . 0 0 "[ ]" 1 1541 1 63 VAL H 1 63 VAL QG 2.990 . 4.180 2.467 2.467 2.467 . 0 0 "[ ]" 1 1542 1 63 VAL H 1 90 ILE MG 3.915 . 6.030 3.527 3.527 3.527 . 0 0 "[ ]" 1 1543 1 63 VAL H 1 91 ARG O 2.000 . 2.300 1.976 1.976 1.976 . 0 0 "[ ]" 1 1544 1 63 VAL H 1 92 PHE HA 2.830 . 3.860 2.925 2.925 2.925 . 0 0 "[ ]" 1 1545 1 63 VAL H 1 92 PHE QD 4.460 . 7.120 3.559 3.559 3.559 . 0 0 "[ ]" 1 1546 1 63 VAL HA 1 69 LEU QD 4.700 . 7.600 4.549 4.549 4.549 . 0 0 "[ ]" 1 1547 1 63 VAL HA 1 90 ILE MG 3.915 . 6.030 4.655 4.655 4.655 . 0 0 "[ ]" 1 1548 1 63 VAL HA 1 92 PHE QD 4.460 . 7.120 4.880 4.880 4.880 . 0 0 "[ ]" 1 1549 1 63 VAL HB 1 69 LEU MD1 3.915 . 6.030 4.263 4.263 4.263 . 0 0 "[ ]" 1 1550 1 63 VAL HB 1 69 LEU MD2 3.915 . 6.030 4.136 4.136 4.136 . 0 0 "[ ]" 1 1551 1 63 VAL HB 1 90 ILE MG 3.890 . 5.980 3.457 3.457 3.457 . 0 0 "[ ]" 1 1552 1 63 VAL HB 1 92 PHE HA 3.400 . 5.000 3.115 3.115 3.115 . 0 0 "[ ]" 1 1553 1 63 VAL HB 1 92 PHE QD 4.460 . 7.120 1.994 1.994 1.994 . 0 0 "[ ]" 1 1554 1 63 VAL QG 1 69 LEU HA 4.590 . 7.380 4.367 4.367 4.367 . 0 0 "[ ]" 1 1555 1 63 VAL QG 1 69 LEU QD 4.555 . 7.310 1.871 1.871 1.871 . 0 0 "[ ]" 1 1556 1 63 VAL QG 1 79 LEU QD 5.140 . 8.480 3.274 3.274 3.274 . 0 0 "[ ]" 1 1557 1 63 VAL QG 1 79 LEU HG 4.695 . 7.590 4.852 4.852 4.852 . 0 0 "[ ]" 1 1558 1 63 VAL QG 1 90 ILE MG 4.215 . 6.630 1.946 1.946 1.946 . 0 0 "[ ]" 1 1559 1 63 VAL QG 1 92 PHE QD 4.600 . 7.400 2.951 2.951 2.951 . 0 0 "[ ]" 1 1560 1 63 VAL MG1 1 69 LEU MD1 5.765 . 9.730 1.999 1.999 1.999 . 0 0 "[ ]" 1 1561 1 63 VAL MG1 1 69 LEU MD2 5.765 . 9.730 2.329 2.329 2.329 . 0 0 "[ ]" 1 1562 1 63 VAL MG1 1 79 LEU MD1 5.990 . 10.180 5.083 5.083 5.083 . 0 0 "[ ]" 1 1563 1 63 VAL MG1 1 79 LEU MD2 5.990 . 10.180 4.454 4.454 4.454 . 0 0 "[ ]" 1 1564 1 63 VAL MG1 1 90 ILE MG 4.430 . 7.060 3.887 3.887 3.887 . 0 0 "[ ]" 1 1565 1 63 VAL MG1 1 92 PHE HA 3.915 . 6.030 4.458 4.458 4.458 . 0 0 "[ ]" 1 1566 1 63 VAL MG1 1 92 PHE QD 4.715 . 7.630 3.239 3.239 3.239 . 0 0 "[ ]" 1 1567 1 63 VAL MG1 1 92 PHE QE 4.975 . 8.150 2.854 2.854 2.854 . 0 0 "[ ]" 1 1568 1 63 VAL MG2 1 69 LEU MD1 5.765 . 9.730 3.087 3.087 3.087 . 0 0 "[ ]" 1 1569 1 63 VAL MG2 1 69 LEU MD2 5.765 . 9.730 4.117 4.117 4.117 . 0 0 "[ ]" 1 1570 1 63 VAL MG2 1 79 LEU MD1 5.990 . 10.180 4.846 4.846 4.846 . 0 0 "[ ]" 1 1571 1 63 VAL MG2 1 79 LEU MD2 5.990 . 10.180 3.495 3.495 3.495 . 0 0 "[ ]" 1 1572 1 63 VAL MG2 1 90 ILE MG 4.430 . 7.060 1.951 1.951 1.951 . 0 0 "[ ]" 1 1573 1 63 VAL MG2 1 92 PHE HA 3.915 . 6.030 4.142 4.142 4.142 . 0 0 "[ ]" 1 1574 1 63 VAL MG2 1 92 PHE QD 4.715 . 7.630 3.398 3.398 3.398 . 0 0 "[ ]" 1 1575 1 63 VAL MG2 1 92 PHE QE 4.975 . 8.150 2.265 2.265 2.265 . 0 0 "[ ]" 1 1576 1 63 VAL N 1 91 ARG O 3.000 2.700 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1 1577 1 63 VAL O 1 93 ILE H 2.000 . 2.300 2.295 2.295 2.295 . 0 0 "[ ]" 1 1578 1 63 VAL O 1 93 ILE N 3.000 2.700 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 1 1579 1 66 LEU H 1 68 ARG H 3.350 . 4.900 4.395 4.395 4.395 . 0 0 "[ ]" 1 1580 1 66 LEU HA 1 66 LEU MD1 3.445 . 5.090 2.198 2.198 2.198 . 0 0 "[ ]" 1 1581 1 66 LEU HA 1 66 LEU QD 3.030 . 4.260 2.185 2.185 2.185 . 0 0 "[ ]" 1 1582 1 66 LEU HA 1 66 LEU MD2 3.445 . 5.090 3.844 3.844 3.844 . 0 0 "[ ]" 1 1583 1 66 LEU HA 1 66 LEU HG 2.895 . 3.990 2.868 2.868 2.868 . 0 0 "[ ]" 1 1584 1 69 LEU H 1 69 LEU MD1 3.655 . 5.510 3.708 3.708 3.708 . 0 0 "[ ]" 1 1585 1 69 LEU H 1 69 LEU QD 3.430 . 5.060 1.874 1.874 1.874 . 0 0 "[ ]" 1 1586 1 69 LEU H 1 69 LEU MD2 3.655 . 5.510 1.879 1.879 1.879 . 0 0 "[ ]" 1 1587 1 69 LEU H 1 69 LEU HG 2.605 . 3.410 3.683 3.683 3.683 0.273 1 0 "[ ]" 1 1588 1 69 LEU HA 1 69 LEU MD1 3.535 . 5.270 2.084 2.084 2.084 . 0 0 "[ ]" 1 1589 1 69 LEU HA 1 69 LEU MD2 3.535 . 5.270 2.303 2.303 2.303 . 0 0 "[ ]" 1 1590 1 69 LEU QB 1 75 ASP HB2 3.840 . 5.880 4.604 4.604 4.604 . 0 0 "[ ]" 1 1591 1 69 LEU QD 1 75 ASP HB3 4.700 . 7.600 5.346 5.346 5.346 . 0 0 "[ ]" 1 1592 1 69 LEU QD 1 90 ILE MD 5.215 . 8.630 4.995 4.995 4.995 . 0 0 "[ ]" 1 1593 1 69 LEU QD 1 90 ILE MG 5.215 . 8.630 4.328 4.328 4.328 . 0 0 "[ ]" 1 1594 1 69 LEU MD1 1 76 MET HB2 3.915 . 6.030 3.982 3.982 3.982 . 0 0 "[ ]" 1 1595 1 69 LEU MD1 1 76 MET HB3 3.915 . 6.030 5.066 5.066 5.066 . 0 0 "[ ]" 1 1596 1 69 LEU MD1 1 76 MET HG2 3.915 . 6.030 3.140 3.140 3.140 . 0 0 "[ ]" 1 1597 1 69 LEU MD1 1 76 MET HG3 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1 1598 1 69 LEU MD1 1 92 PHE QD 4.975 . 8.150 5.130 5.130 5.130 . 0 0 "[ ]" 1 1599 1 69 LEU MD1 1 92 PHE QE 4.975 . 8.150 3.701 3.701 3.701 . 0 0 "[ ]" 1 1600 1 69 LEU MD2 1 76 MET HB2 3.915 . 6.030 4.018 4.018 4.018 . 0 0 "[ ]" 1 1601 1 69 LEU MD2 1 76 MET HB3 3.915 . 6.030 5.038 5.038 5.038 . 0 0 "[ ]" 1 1602 1 69 LEU MD2 1 76 MET HG2 3.915 . 6.030 3.668 3.668 3.668 . 0 0 "[ ]" 1 1603 1 69 LEU MD2 1 76 MET HG3 3.915 . 6.030 2.886 2.886 2.886 . 0 0 "[ ]" 1 1604 1 69 LEU MD2 1 92 PHE QD 4.975 . 8.150 4.401 4.401 4.401 . 0 0 "[ ]" 1 1605 1 69 LEU MD2 1 92 PHE QE 4.975 . 8.150 3.857 3.857 3.857 . 0 0 "[ ]" 1 1606 1 69 LEU HG 1 76 MET HG2 3.400 . 5.000 2.000 2.000 2.000 . 0 0 "[ ]" 1 1607 1 69 LEU HG 1 76 MET HG3 3.400 . 5.000 2.057 2.057 2.057 . 0 0 "[ ]" 1 1608 1 69 LEU HG 1 92 PHE QD 4.460 . 7.120 5.636 5.636 5.636 . 0 0 "[ ]" 1 1609 1 73 THR MG 1 74 ALA H 3.460 . 5.120 2.003 2.003 2.003 . 0 0 "[ ]" 1 1610 1 73 THR MG 1 74 ALA HA 3.915 . 6.030 4.311 4.311 4.311 . 0 0 "[ ]" 1 1611 1 73 THR MG 1 74 ALA MB 3.480 . 5.160 3.191 3.191 3.191 . 0 0 "[ ]" 1 1612 1 73 THR MG 1 75 ASP H 3.915 . 6.030 4.109 4.109 4.109 . 0 0 "[ ]" 1 1613 1 73 THR MG 1 78 GLN QG 4.350 . 6.900 4.779 4.779 4.779 . 0 0 "[ ]" 1 1614 1 74 ALA H 1 77 ILE MD 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1 1615 1 74 ALA HA 1 77 ILE H 2.670 . 3.540 3.470 3.470 3.470 . 0 0 "[ ]" 1 1616 1 74 ALA HA 1 77 ILE HB 2.645 . 3.490 3.523 3.523 3.523 0.033 1 0 "[ ]" 1 1617 1 74 ALA HA 1 77 ILE MD 3.380 . 4.960 2.393 2.393 2.393 . 0 0 "[ ]" 1 1618 1 74 ALA HA 1 77 ILE QG 3.800 . 5.800 4.624 4.624 4.624 . 0 0 "[ ]" 1 1619 1 74 ALA HA 1 77 ILE MG 3.915 . 6.030 4.917 4.917 4.917 . 0 0 "[ ]" 1 1620 1 74 ALA MB 1 75 ASP HA 3.915 . 6.030 4.302 4.302 4.302 . 0 0 "[ ]" 1 1621 1 74 ALA MB 1 77 ILE H 3.915 . 6.030 3.559 3.559 3.559 . 0 0 "[ ]" 1 1622 1 74 ALA MB 1 77 ILE HB 3.405 . 5.010 2.352 2.352 2.352 . 0 0 "[ ]" 1 1623 1 74 ALA MB 1 77 ILE MD 4.335 . 6.870 2.601 2.601 2.601 . 0 0 "[ ]" 1 1624 1 74 ALA MB 1 77 ILE QG 3.860 . 5.920 3.925 3.925 3.925 . 0 0 "[ ]" 1 1625 1 74 ALA MB 1 77 ILE MG 4.430 . 7.060 3.269 3.269 3.269 . 0 0 "[ ]" 1 1626 1 74 ALA MB 1 78 GLN H 3.915 . 6.030 3.534 3.534 3.534 . 0 0 "[ ]" 1 1627 1 74 ALA MB 1 78 GLN HA 3.915 . 6.030 4.183 4.183 4.183 . 0 0 "[ ]" 1 1628 1 74 ALA MB 1 78 GLN QB 4.350 . 6.900 3.833 3.833 3.833 . 0 0 "[ ]" 1 1629 1 74 ALA MB 1 78 GLN QG 4.350 . 6.900 3.962 3.962 3.962 . 0 0 "[ ]" 1 1630 1 75 ASP H 1 76 MET H 3.245 . 4.690 2.544 2.544 2.544 . 0 0 "[ ]" 1 1631 1 75 ASP H 1 77 ILE H 2.815 . 3.830 3.805 3.805 3.805 . 0 0 "[ ]" 1 1632 1 75 ASP HA 1 78 GLN H 2.995 . 4.190 3.152 3.152 3.152 . 0 0 "[ ]" 1 1633 1 75 ASP HA 1 78 GLN QB 3.125 . 4.450 2.150 2.150 2.150 . 0 0 "[ ]" 1 1634 1 75 ASP HA 1 78 GLN QG 3.840 . 5.880 3.579 3.579 3.579 . 0 0 "[ ]" 1 1635 1 75 ASP HA 1 79 LEU QD 4.700 . 7.600 4.110 4.110 4.110 . 0 0 "[ ]" 1 1636 1 75 ASP HB2 1 76 MET QB 3.840 . 5.880 4.082 4.082 4.082 . 0 0 "[ ]" 1 1637 1 75 ASP HB2 1 79 LEU QD 4.700 . 7.600 4.969 4.969 4.969 . 0 0 "[ ]" 1 1638 1 76 MET H 1 76 MET HB2 2.985 . 4.170 2.493 2.493 2.493 . 0 0 "[ ]" 1 1639 1 76 MET H 1 76 MET HB3 2.985 . 4.170 2.578 2.578 2.578 . 0 0 "[ ]" 1 1640 1 76 MET H 1 77 ILE H 2.555 . 3.310 2.741 2.741 2.741 . 0 0 "[ ]" 1 1641 1 76 MET H 1 77 ILE MD 3.915 . 6.030 3.390 3.390 3.390 . 0 0 "[ ]" 1 1642 1 76 MET HA 1 77 ILE H 2.700 . 3.600 3.531 3.531 3.531 . 0 0 "[ ]" 1 1643 1 76 MET QB 1 77 ILE QG 3.805 . 5.810 3.518 3.518 3.518 . 0 0 "[ ]" 1 1644 1 76 MET HB2 1 77 ILE HG12 4.275 . 6.750 6.693 6.693 6.693 . 0 0 "[ ]" 1 1645 1 76 MET HB2 1 77 ILE HG13 4.275 . 6.750 5.334 5.334 5.334 . 0 0 "[ ]" 1 1646 1 76 MET HB3 1 77 ILE HG12 4.275 . 6.750 4.954 4.954 4.954 . 0 0 "[ ]" 1 1647 1 76 MET HB3 1 77 ILE HG13 4.275 . 6.750 3.676 3.676 3.676 . 0 0 "[ ]" 1 1648 1 76 MET QG 1 77 ILE H 3.735 . 5.670 4.156 4.156 4.156 . 0 0 "[ ]" 1 1649 1 76 MET QG 1 77 ILE MD 4.355 . 6.910 3.929 3.929 3.929 . 0 0 "[ ]" 1 1650 1 76 MET HG2 1 80 ILE MD 3.915 . 6.030 2.629 2.629 2.629 . 0 0 "[ ]" 1 1651 1 76 MET HG2 1 92 PHE QE 4.460 . 7.120 4.710 4.710 4.710 . 0 0 "[ ]" 1 1652 1 76 MET HG3 1 80 ILE MD 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1 1653 1 76 MET HG3 1 92 PHE QE 4.460 . 7.120 5.241 5.241 5.241 . 0 0 "[ ]" 1 1654 1 77 ILE H 1 77 ILE HB 2.310 . 2.820 2.444 2.444 2.444 . 0 0 "[ ]" 1 1655 1 77 ILE H 1 77 ILE MD 3.380 . 4.960 2.027 2.027 2.027 . 0 0 "[ ]" 1 1656 1 77 ILE H 1 77 ILE HG12 3.400 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 1 1657 1 77 ILE H 1 77 ILE QG 3.185 . 4.570 2.996 2.996 2.996 . 0 0 "[ ]" 1 1658 1 77 ILE H 1 77 ILE HG13 3.400 . 5.000 3.099 3.099 3.099 . 0 0 "[ ]" 1 1659 1 77 ILE H 1 77 ILE MG 3.120 . 4.440 3.778 3.778 3.778 . 0 0 "[ ]" 1 1660 1 77 ILE H 1 78 GLN H 2.555 . 3.310 2.394 2.394 2.394 . 0 0 "[ ]" 1 1661 1 77 ILE HA 1 77 ILE MD 2.990 . 4.180 3.372 3.372 3.372 . 0 0 "[ ]" 1 1662 1 77 ILE HA 1 77 ILE HG12 2.700 . 3.600 3.443 3.443 3.443 . 0 0 "[ ]" 1 1663 1 77 ILE HA 1 77 ILE QG 2.620 . 3.440 2.251 2.251 2.251 . 0 0 "[ ]" 1 1664 1 77 ILE HA 1 77 ILE HG13 2.700 . 3.600 2.282 2.282 2.282 . 0 0 "[ ]" 1 1665 1 77 ILE HA 1 80 ILE H 3.190 . 4.580 3.378 3.378 3.378 . 0 0 "[ ]" 1 1666 1 77 ILE HA 1 80 ILE MD 3.915 . 6.030 1.989 1.989 1.989 . 0 0 "[ ]" 1 1667 1 77 ILE HA 1 80 ILE MG 3.615 . 5.430 3.349 3.349 3.349 . 0 0 "[ ]" 1 1668 1 77 ILE HA 1 81 LYS H 2.920 . 4.040 3.966 3.966 3.966 . 0 0 "[ ]" 1 1669 1 77 ILE MD 1 77 ILE MG 3.130 . 4.460 3.080 3.080 3.080 . 0 0 "[ ]" 1 1670 1 77 ILE MD 1 78 GLN H 3.705 . 5.610 3.873 3.873 3.873 . 0 0 "[ ]" 1 1671 1 77 ILE QG 1 80 ILE MG 3.780 . 5.760 4.106 4.106 4.106 . 0 0 "[ ]" 1 1672 1 77 ILE MG 1 78 GLN H 3.915 . 6.030 3.794 3.794 3.794 . 0 0 "[ ]" 1 1673 1 77 ILE MG 1 78 GLN HA 3.615 . 5.430 3.701 3.701 3.701 . 0 0 "[ ]" 1 1674 1 77 ILE MG 1 78 GLN QB 4.350 . 6.900 4.807 4.807 4.807 . 0 0 "[ ]" 1 1675 1 77 ILE MG 1 81 LYS QE 3.730 . 5.660 1.805 1.805 1.805 . 0 0 "[ ]" 1 1676 1 77 ILE O 1 81 LYS H 2.000 . 2.300 1.973 1.973 1.973 . 0 0 "[ ]" 1 1677 1 77 ILE O 1 81 LYS N 3.000 2.700 3.300 2.887 2.887 2.887 . 0 0 "[ ]" 1 1678 1 78 GLN H 1 78 GLN QB 2.705 . 3.610 2.112 2.112 2.112 . 0 0 "[ ]" 1 1679 1 78 GLN H 1 78 GLN QE 3.835 . 5.870 5.078 5.078 5.078 . 0 0 "[ ]" 1 1680 1 78 GLN H 1 78 GLN QG 3.370 . 4.940 3.710 3.710 3.710 . 0 0 "[ ]" 1 1681 1 78 GLN H 1 79 LEU H 2.490 . 3.180 3.051 3.051 3.051 . 0 0 "[ ]" 1 1682 1 78 GLN HA 1 78 GLN QE 3.315 . 4.830 2.598 2.598 2.598 . 0 0 "[ ]" 1 1683 1 78 GLN HA 1 79 LEU QD 4.440 . 7.080 4.279 4.279 4.279 . 0 0 "[ ]" 1 1684 1 78 GLN HA 1 81 LYS H 2.685 . 3.570 3.597 3.597 3.597 0.027 1 0 "[ ]" 1 1685 1 78 GLN HA 1 81 LYS QB 3.030 . 4.260 3.136 3.136 3.136 . 0 0 "[ ]" 1 1686 1 78 GLN HA 1 81 LYS QE 3.840 . 5.880 3.698 3.698 3.698 . 0 0 "[ ]" 1 1687 1 78 GLN HA 1 82 GLU HB2 3.400 . 5.000 4.899 4.899 4.899 . 0 0 "[ ]" 1 1688 1 78 GLN QB 1 78 GLN HE21 3.565 . 5.330 3.799 3.799 3.799 . 0 0 "[ ]" 1 1689 1 78 GLN QB 1 78 GLN HE22 3.565 . 5.330 4.201 4.201 4.201 . 0 0 "[ ]" 1 1690 1 78 GLN QB 1 79 LEU MD1 4.350 . 6.900 3.124 3.124 3.124 . 0 0 "[ ]" 1 1691 1 78 GLN QB 1 79 LEU MD2 4.350 . 6.900 5.060 5.060 5.060 . 0 0 "[ ]" 1 1692 1 78 GLN QB 1 81 LYS QE 4.275 . 6.750 5.364 5.364 5.364 . 0 0 "[ ]" 1 1693 1 78 GLN QB 1 82 GLU HB2 3.840 . 5.880 4.912 4.912 4.912 . 0 0 "[ ]" 1 1694 1 78 GLN QE 1 81 LYS QB 4.275 . 6.750 3.423 3.423 3.423 . 0 0 "[ ]" 1 1695 1 78 GLN QG 1 79 LEU QD 5.135 . 8.470 4.747 4.747 4.747 . 0 0 "[ ]" 1 1696 1 78 GLN QG 1 81 LYS QB 4.275 . 6.750 4.625 4.625 4.625 . 0 0 "[ ]" 1 1697 1 78 GLN QG 1 81 LYS QE 4.275 . 6.750 4.742 4.742 4.742 . 0 0 "[ ]" 1 1698 1 78 GLN QG 1 82 GLU HB2 3.840 . 5.880 5.297 5.297 5.297 . 0 0 "[ ]" 1 1699 1 78 GLN O 1 82 GLU H 2.000 . 2.300 2.031 2.031 2.031 . 0 0 "[ ]" 1 1700 1 78 GLN O 1 82 GLU N 3.000 2.700 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 1 1701 1 79 LEU H 1 79 LEU HB2 2.920 . 4.040 3.661 3.661 3.661 . 0 0 "[ ]" 1 1702 1 79 LEU H 1 79 LEU HB3 2.660 . 3.520 2.503 2.503 2.503 . 0 0 "[ ]" 1 1703 1 79 LEU H 1 79 LEU MD1 3.915 . 6.030 1.830 1.830 1.830 . 0 0 "[ ]" 1 1704 1 79 LEU H 1 79 LEU QD 3.735 . 5.670 1.825 1.825 1.825 . 0 0 "[ ]" 1 1705 1 79 LEU H 1 79 LEU MD2 3.915 . 6.030 3.720 3.720 3.720 . 0 0 "[ ]" 1 1706 1 79 LEU H 1 79 LEU HG 3.400 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1 1707 1 79 LEU H 1 80 ILE H 2.620 . 3.440 2.805 2.805 2.805 . 0 0 "[ ]" 1 1708 1 79 LEU HA 1 79 LEU HB3 2.245 . 2.690 2.508 2.508 2.508 . 0 0 "[ ]" 1 1709 1 79 LEU HA 1 82 GLU HB2 2.790 . 3.780 2.669 2.669 2.669 . 0 0 "[ ]" 1 1710 1 79 LEU HA 1 82 GLU HB3 2.540 . 3.280 2.551 2.551 2.551 . 0 0 "[ ]" 1 1711 1 79 LEU HA 1 82 GLU HG2 3.400 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1 1712 1 79 LEU HA 1 82 GLU HG3 3.400 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1 1713 1 79 LEU HA 1 83 PHE QD 4.460 . 7.120 4.330 4.330 4.330 . 0 0 "[ ]" 1 1714 1 79 LEU HA 1 83 PHE QE 4.460 . 7.120 4.490 4.490 4.490 . 0 0 "[ ]" 1 1715 1 79 LEU HB2 1 80 ILE H 3.385 . 4.970 4.300 4.300 4.300 . 0 0 "[ ]" 1 1716 1 79 LEU QD 1 82 GLU HB2 4.555 . 7.310 4.840 4.840 4.840 . 0 0 "[ ]" 1 1717 1 79 LEU QD 1 82 GLU HB3 4.440 . 7.080 4.388 4.388 4.388 . 0 0 "[ ]" 1 1718 1 79 LEU QD 1 83 PHE QE 5.760 . 9.720 2.028 2.028 2.028 . 0 0 "[ ]" 1 1719 1 79 LEU QD 1 83 PHE HZ 4.700 . 7.600 4.190 4.190 4.190 . 0 0 "[ ]" 1 1720 1 79 LEU QD 1 90 ILE MD 4.280 . 6.760 2.362 2.362 2.362 . 0 0 "[ ]" 1 1721 1 79 LEU MD1 1 80 ILE HA 3.915 . 6.030 3.789 3.789 3.789 . 0 0 "[ ]" 1 1722 1 79 LEU MD1 1 90 ILE MD 4.415 . 7.030 4.036 4.036 4.036 . 0 0 "[ ]" 1 1723 1 79 LEU MD2 1 80 ILE HA 3.915 . 6.030 2.526 2.526 2.526 . 0 0 "[ ]" 1 1724 1 79 LEU MD2 1 90 ILE MD 4.415 . 7.030 2.378 2.378 2.378 . 0 0 "[ ]" 1 1725 1 79 LEU HG 1 83 PHE QE 4.460 . 7.120 3.596 3.596 3.596 . 0 0 "[ ]" 1 1726 1 79 LEU HG 1 90 ILE MD 3.915 . 6.030 4.837 4.837 4.837 . 0 0 "[ ]" 1 1727 1 79 LEU O 1 83 PHE H 2.000 . 2.300 2.149 2.149 2.149 . 0 0 "[ ]" 1 1728 1 79 LEU O 1 83 PHE N 3.000 2.700 3.300 3.051 3.051 3.051 . 0 0 "[ ]" 1 1729 1 80 ILE H 1 80 ILE HB 2.360 . 2.920 2.336 2.336 2.336 . 0 0 "[ ]" 1 1730 1 80 ILE H 1 80 ILE QG 3.760 . 5.720 2.542 2.542 2.542 . 0 0 "[ ]" 1 1731 1 80 ILE H 1 81 LYS H 2.685 . 3.570 2.444 2.444 2.444 . 0 0 "[ ]" 1 1732 1 80 ILE H 1 82 GLU H 3.075 . 4.350 3.669 3.669 3.669 . 0 0 "[ ]" 1 1733 1 80 ILE HA 1 80 ILE MD 3.210 . 4.620 3.784 3.784 3.784 . 0 0 "[ ]" 1 1734 1 80 ILE HA 1 83 PHE H 3.270 . 4.740 3.469 3.469 3.469 . 0 0 "[ ]" 1 1735 1 80 ILE HA 1 83 PHE QD 4.460 . 7.120 3.002 3.002 3.002 . 0 0 "[ ]" 1 1736 1 80 ILE HA 1 84 ASP H 3.165 . 4.530 3.898 3.898 3.898 . 0 0 "[ ]" 1 1737 1 80 ILE HA 1 90 ILE HB 3.400 . 5.000 4.881 4.881 4.881 . 0 0 "[ ]" 1 1738 1 80 ILE HA 1 90 ILE MD 3.720 . 5.640 2.012 2.012 2.012 . 0 0 "[ ]" 1 1739 1 80 ILE HA 1 90 ILE HG12 3.400 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1 1740 1 80 ILE HA 1 90 ILE HG13 3.400 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1 1741 1 80 ILE HA 1 90 ILE MG 3.915 . 6.030 4.340 4.340 4.340 . 0 0 "[ ]" 1 1742 1 80 ILE HB 1 90 ILE MD 3.565 . 5.330 4.086 4.086 4.086 . 0 0 "[ ]" 1 1743 1 80 ILE MD 1 90 ILE MD 4.170 . 6.540 3.461 3.461 3.461 . 0 0 "[ ]" 1 1744 1 80 ILE MD 1 90 ILE MG 4.430 . 7.060 3.929 3.929 3.929 . 0 0 "[ ]" 1 1745 1 80 ILE MD 1 92 PHE QD 4.700 . 7.600 4.982 4.982 4.982 . 0 0 "[ ]" 1 1746 1 80 ILE MD 1 92 PHE QE 4.975 . 8.150 3.301 3.301 3.301 . 0 0 "[ ]" 1 1747 1 80 ILE QG 1 90 ILE MD 3.265 . 4.730 2.107 2.107 2.107 . 0 0 "[ ]" 1 1748 1 80 ILE QG 1 90 ILE MG 3.710 . 5.620 3.111 3.111 3.111 . 0 0 "[ ]" 1 1749 1 80 ILE HG12 1 90 ILE MD 3.355 . 4.910 2.140 2.140 2.140 . 0 0 "[ ]" 1 1750 1 80 ILE HG12 1 90 ILE MG 3.915 . 6.030 3.204 3.204 3.204 . 0 0 "[ ]" 1 1751 1 80 ILE HG13 1 90 ILE MD 3.355 . 4.910 3.153 3.153 3.153 . 0 0 "[ ]" 1 1752 1 80 ILE HG13 1 90 ILE MG 3.915 . 6.030 4.214 4.214 4.214 . 0 0 "[ ]" 1 1753 1 80 ILE MG 1 81 LYS HA 3.510 . 5.220 3.364 3.364 3.364 . 0 0 "[ ]" 1 1754 1 80 ILE MG 1 81 LYS QB 4.350 . 6.900 4.214 4.214 4.214 . 0 0 "[ ]" 1 1755 1 80 ILE MG 1 84 ASP H 3.890 . 5.980 4.075 4.075 4.075 . 0 0 "[ ]" 1 1756 1 80 ILE MG 1 84 ASP HB2 3.915 . 6.030 3.237 3.237 3.237 . 0 0 "[ ]" 1 1757 1 80 ILE MG 1 84 ASP HB3 3.915 . 6.030 4.497 4.497 4.497 . 0 0 "[ ]" 1 1758 1 80 ILE MG 1 90 ILE MD 4.170 . 6.540 2.385 2.385 2.385 . 0 0 "[ ]" 1 1759 1 80 ILE MG 1 90 ILE MG 4.430 . 7.060 4.294 4.294 4.294 . 0 0 "[ ]" 1 1760 1 80 ILE MG 1 92 PHE QD 4.975 . 8.150 5.925 5.925 5.925 . 0 0 "[ ]" 1 1761 1 80 ILE MG 1 92 PHE QE 4.975 . 8.150 4.059 4.059 4.059 . 0 0 "[ ]" 1 1762 1 81 LYS H 1 81 LYS HD2 3.270 . 4.740 4.591 4.591 4.591 . 0 0 "[ ]" 1 1763 1 81 LYS H 1 81 LYS QD 3.075 . 4.350 2.939 2.939 2.939 . 0 0 "[ ]" 1 1764 1 81 LYS H 1 81 LYS HD3 3.270 . 4.740 2.974 2.974 2.974 . 0 0 "[ ]" 1 1765 1 81 LYS H 1 81 LYS QG 3.840 . 5.880 3.792 3.792 3.792 . 0 0 "[ ]" 1 1766 1 81 LYS H 1 82 GLU H 2.335 . 2.870 2.487 2.487 2.487 . 0 0 "[ ]" 1 1767 1 81 LYS HA 1 81 LYS QD 3.100 . 4.400 2.967 2.967 2.967 . 0 0 "[ ]" 1 1768 1 81 LYS HA 1 84 ASP H 2.620 . 3.440 3.397 3.397 3.397 . 0 0 "[ ]" 1 1769 1 81 LYS HA 1 84 ASP HB2 2.360 . 2.920 2.804 2.804 2.804 . 0 0 "[ ]" 1 1770 1 81 LYS HA 1 84 ASP QB 2.250 . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1 1771 1 81 LYS HA 1 84 ASP HB3 2.360 . 2.920 2.803 2.803 2.803 . 0 0 "[ ]" 1 1772 1 81 LYS QB 1 81 LYS QD 2.740 . 3.680 2.181 2.181 2.181 . 0 0 "[ ]" 1 1773 1 81 LYS QB 1 81 LYS QE 3.810 . 5.820 2.315 2.315 2.315 . 0 0 "[ ]" 1 1774 1 81 LYS QB 1 82 GLU H 3.005 . 4.210 2.851 2.851 2.851 . 0 0 "[ ]" 1 1775 1 81 LYS QB 1 84 ASP QB 4.280 . 6.760 4.318 4.318 4.318 . 0 0 "[ ]" 1 1776 1 81 LYS QD 1 84 ASP QB 3.605 . 5.410 4.419 4.419 4.419 . 0 0 "[ ]" 1 1777 1 81 LYS HD2 1 84 ASP HB2 4.275 . 6.750 5.685 5.685 5.685 . 0 0 "[ ]" 1 1778 1 81 LYS HD2 1 84 ASP HB3 4.275 . 6.750 5.615 5.615 5.615 . 0 0 "[ ]" 1 1779 1 81 LYS HD3 1 84 ASP HB2 4.275 . 6.750 5.362 5.362 5.362 . 0 0 "[ ]" 1 1780 1 81 LYS HD3 1 84 ASP HB3 4.275 . 6.750 5.648 5.648 5.648 . 0 0 "[ ]" 1 1781 1 82 GLU H 1 82 GLU HB3 2.905 . 4.010 2.788 2.788 2.788 . 0 0 "[ ]" 1 1782 1 82 GLU H 1 83 PHE H 2.475 . 3.150 2.630 2.630 2.630 . 0 0 "[ ]" 1 1783 1 82 GLU H 1 83 PHE QD 4.460 . 7.120 5.064 5.064 5.064 . 0 0 "[ ]" 1 1784 1 82 GLU H 1 84 ASP H 3.320 . 4.840 3.930 3.930 3.930 . 0 0 "[ ]" 1 1785 1 82 GLU HA 1 82 GLU HG2 2.775 . 3.750 3.619 3.619 3.619 . 0 0 "[ ]" 1 1786 1 82 GLU HA 1 82 GLU QG 2.590 . 3.380 2.417 2.417 2.417 . 0 0 "[ ]" 1 1787 1 82 GLU HA 1 82 GLU HG3 2.775 . 3.750 2.454 2.454 2.454 . 0 0 "[ ]" 1 1788 1 82 GLU HA 1 83 PHE QD 4.460 . 7.120 5.786 5.786 5.786 . 0 0 "[ ]" 1 1789 1 82 GLU HA 1 85 ALA MB 3.225 . 4.650 3.103 3.103 3.103 . 0 0 "[ ]" 1 1790 1 82 GLU HB2 1 83 PHE H 3.335 . 4.870 3.644 3.644 3.644 . 0 0 "[ ]" 1 1791 1 82 GLU HB2 1 83 PHE QD 4.460 . 7.120 5.506 5.506 5.506 . 0 0 "[ ]" 1 1792 1 82 GLU HB3 1 83 PHE H 3.335 . 4.870 2.552 2.552 2.552 . 0 0 "[ ]" 1 1793 1 82 GLU HG2 1 83 PHE QD 4.460 . 7.120 5.302 5.302 5.302 . 0 0 "[ ]" 1 1794 1 82 GLU HG3 1 83 PHE QD 4.460 . 7.120 5.087 5.087 5.087 . 0 0 "[ ]" 1 1795 1 83 PHE H 1 83 PHE HB2 2.725 . 3.650 2.347 2.347 2.347 . 0 0 "[ ]" 1 1796 1 83 PHE H 1 83 PHE QB 2.565 . 3.330 2.319 2.319 2.319 . 0 0 "[ ]" 1 1797 1 83 PHE H 1 83 PHE HB3 2.725 . 3.650 3.606 3.606 3.606 . 0 0 "[ ]" 1 1798 1 83 PHE H 1 83 PHE QE 4.460 . 7.120 4.823 4.823 4.823 . 0 0 "[ ]" 1 1799 1 83 PHE H 1 84 ASP H 2.505 . 3.210 2.479 2.479 2.479 . 0 0 "[ ]" 1 1800 1 83 PHE H 1 90 ILE MD 3.810 . 5.820 3.700 3.700 3.700 . 0 0 "[ ]" 1 1801 1 83 PHE HA 1 86 GLN H 2.450 . 3.100 3.106 3.106 3.106 0.006 1 0 "[ ]" 1 1802 1 83 PHE HA 1 86 GLN QB 3.175 . 4.550 2.261 2.261 2.261 . 0 0 "[ ]" 1 1803 1 83 PHE HA 1 86 GLN QG 3.425 . 5.050 3.968 3.968 3.968 . 0 0 "[ ]" 1 1804 1 83 PHE HA 1 88 VAL H 3.205 . 4.610 4.043 4.043 4.043 . 0 0 "[ ]" 1 1805 1 83 PHE HA 1 88 VAL HB 2.765 . 3.730 3.020 3.020 3.020 . 0 0 "[ ]" 1 1806 1 83 PHE HA 1 88 VAL MG1 3.915 . 6.030 4.245 4.245 4.245 . 0 0 "[ ]" 1 1807 1 83 PHE HA 1 88 VAL QG 3.685 . 5.570 3.338 3.338 3.338 . 0 0 "[ ]" 1 1808 1 83 PHE HA 1 88 VAL MG2 3.915 . 6.030 3.492 3.492 3.492 . 0 0 "[ ]" 1 1809 1 83 PHE HA 1 90 ILE MD 3.915 . 6.030 4.668 4.668 4.668 . 0 0 "[ ]" 1 1810 1 83 PHE QB 1 84 ASP HA 3.840 . 5.880 3.911 3.911 3.911 . 0 0 "[ ]" 1 1811 1 83 PHE QB 1 88 VAL HB 3.840 . 5.880 2.275 2.275 2.275 . 0 0 "[ ]" 1 1812 1 83 PHE QB 1 88 VAL QG 4.615 . 7.430 2.882 2.882 2.882 . 0 0 "[ ]" 1 1813 1 83 PHE QB 1 90 ILE MD 3.745 . 5.690 1.938 1.938 1.938 . 0 0 "[ ]" 1 1814 1 83 PHE HB2 1 88 VAL MG1 5.475 . 9.150 4.421 4.421 4.421 . 0 0 "[ ]" 1 1815 1 83 PHE HB2 1 88 VAL MG2 5.475 . 9.150 5.211 5.211 5.211 . 0 0 "[ ]" 1 1816 1 83 PHE HB2 1 90 ILE MD 3.860 . 5.920 1.965 1.965 1.965 . 0 0 "[ ]" 1 1817 1 83 PHE HB3 1 88 VAL MG1 5.475 . 9.150 3.043 3.043 3.043 . 0 0 "[ ]" 1 1818 1 83 PHE HB3 1 88 VAL MG2 5.475 . 9.150 3.862 3.862 3.862 . 0 0 "[ ]" 1 1819 1 83 PHE HB3 1 90 ILE MD 3.860 . 5.920 2.959 2.959 2.959 . 0 0 "[ ]" 1 1820 1 83 PHE QD 1 84 ASP H 4.460 . 7.120 4.495 4.495 4.495 . 0 0 "[ ]" 1 1821 1 83 PHE QD 1 85 ALA H 4.460 . 7.120 5.797 5.797 5.797 . 0 0 "[ ]" 1 1822 1 83 PHE QD 1 86 GLN QB 4.900 . 8.000 3.076 3.076 3.076 . 0 0 "[ ]" 1 1823 1 83 PHE QD 1 86 GLN QG 4.900 . 8.000 4.477 4.477 4.477 . 0 0 "[ ]" 1 1824 1 83 PHE QD 1 88 VAL H 4.460 . 7.120 4.818 4.818 4.818 . 0 0 "[ ]" 1 1825 1 83 PHE QD 1 88 VAL MG1 4.975 . 8.150 3.204 3.204 3.204 . 0 0 "[ ]" 1 1826 1 83 PHE QD 1 88 VAL MG2 4.975 . 8.150 2.823 2.823 2.823 . 0 0 "[ ]" 1 1827 1 83 PHE QD 1 90 ILE MD 4.625 . 7.450 1.943 1.943 1.943 . 0 0 "[ ]" 1 1828 1 83 PHE QD 1 90 ILE QG 4.900 . 8.000 3.238 3.238 3.238 . 0 0 "[ ]" 1 1829 1 83 PHE QD 1 90 ILE MG 4.975 . 8.150 4.052 4.052 4.052 . 0 0 "[ ]" 1 1830 1 83 PHE QE 1 88 VAL MG1 4.975 . 8.150 4.090 4.090 4.090 . 0 0 "[ ]" 1 1831 1 83 PHE QE 1 88 VAL MG2 4.975 . 8.150 4.167 4.167 4.167 . 0 0 "[ ]" 1 1832 1 83 PHE QE 1 90 ILE MD 4.975 . 8.150 3.814 3.814 3.814 . 0 0 "[ ]" 1 1833 1 83 PHE QE 1 90 ILE MG 4.975 . 8.150 4.776 4.776 4.776 . 0 0 "[ ]" 1 1834 1 83 PHE O 1 88 VAL H 2.000 . 2.300 2.063 2.063 2.063 . 0 0 "[ ]" 1 1835 1 83 PHE O 1 88 VAL N 3.000 2.700 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 1 1836 1 84 ASP H 1 84 ASP HB2 2.345 . 2.890 2.241 2.241 2.241 . 0 0 "[ ]" 1 1837 1 84 ASP H 1 84 ASP HB3 2.345 . 2.890 2.905 2.905 2.905 0.015 1 0 "[ ]" 1 1838 1 84 ASP H 1 85 ALA H 2.490 . 3.180 2.671 2.671 2.671 . 0 0 "[ ]" 1 1839 1 84 ASP H 1 85 ALA MB 3.720 . 5.640 4.339 4.339 4.339 . 0 0 "[ ]" 1 1840 1 84 ASP H 1 86 GLN H 3.010 . 4.220 3.960 3.960 3.960 . 0 0 "[ ]" 1 1841 1 84 ASP H 1 90 ILE MD 3.915 . 6.030 3.907 3.907 3.907 . 0 0 "[ ]" 1 1842 1 84 ASP HA 1 88 VAL QG 4.280 . 6.760 4.992 4.992 4.992 . 0 0 "[ ]" 1 1843 1 84 ASP HA 1 90 ILE MD 3.915 . 6.030 4.933 4.933 4.933 . 0 0 "[ ]" 1 1844 1 84 ASP QB 1 85 ALA MB 3.910 . 6.020 3.735 3.735 3.735 . 0 0 "[ ]" 1 1845 1 84 ASP HB2 1 85 ALA H 2.710 . 3.620 3.655 3.655 3.655 0.035 1 0 "[ ]" 1 1846 1 84 ASP HB3 1 85 ALA H 2.710 . 3.620 2.745 2.745 2.745 . 0 0 "[ ]" 1 1847 1 85 ALA H 1 86 GLN H 2.205 . 2.610 2.427 2.427 2.427 . 0 0 "[ ]" 1 1848 1 85 ALA MB 1 86 GLN HA 3.340 . 4.880 3.891 3.891 3.891 . 0 0 "[ ]" 1 1849 1 85 ALA MB 1 86 GLN QB 3.950 . 6.100 4.127 4.127 4.127 . 0 0 "[ ]" 1 1850 1 85 ALA MB 1 87 GLY H 3.915 . 6.030 4.282 4.282 4.282 . 0 0 "[ ]" 1 1851 1 86 GLN H 1 86 GLN HA 2.335 . 2.870 2.921 2.921 2.921 0.051 1 0 "[ ]" 1 1852 1 86 GLN H 1 86 GLN HB2 2.555 . 3.310 2.120 2.120 2.120 . 0 0 "[ ]" 1 1853 1 86 GLN H 1 86 GLN HB3 2.555 . 3.310 3.351 3.351 3.351 0.041 1 0 "[ ]" 1 1854 1 86 GLN H 1 86 GLN QG 3.645 . 5.490 3.360 3.360 3.360 . 0 0 "[ ]" 1 1855 1 86 GLN H 1 87 GLY H 2.465 . 3.130 2.659 2.659 2.659 . 0 0 "[ ]" 1 1856 1 86 GLN H 1 88 VAL H 2.750 . 3.700 3.568 3.568 3.568 . 0 0 "[ ]" 1 1857 1 86 GLN H 1 88 VAL HB 3.190 . 4.580 4.599 4.599 4.599 0.019 1 0 "[ ]" 1 1858 1 86 GLN H 1 88 VAL QG 4.695 . 7.590 4.220 4.220 4.220 . 0 0 "[ ]" 1 1859 1 86 GLN HA 1 86 GLN HG2 3.010 . 4.220 2.012 2.012 2.012 . 0 0 "[ ]" 1 1860 1 86 GLN HA 1 86 GLN HG3 3.010 . 4.220 2.980 2.980 2.980 . 0 0 "[ ]" 1 1861 1 86 GLN HA 1 87 GLY H 2.645 . 3.490 3.286 3.286 3.286 . 0 0 "[ ]" 1 1862 1 86 GLN HA 1 87 GLY QA 3.630 . 5.460 4.227 4.227 4.227 . 0 0 "[ ]" 1 1863 1 86 GLN HA 1 88 VAL QG 4.695 . 7.590 4.269 4.269 4.269 . 0 0 "[ ]" 1 1864 1 86 GLN QB 1 86 GLN QG 2.120 . 2.440 2.080 2.080 2.080 . 0 0 "[ ]" 1 1865 1 86 GLN QB 1 87 GLY QA 4.175 . 6.550 4.237 4.237 4.237 . 0 0 "[ ]" 1 1866 1 86 GLN QB 1 88 VAL H 3.025 . 4.250 3.346 3.346 3.346 . 0 0 "[ ]" 1 1867 1 86 GLN QB 1 88 VAL HB 3.840 . 5.880 3.349 3.349 3.349 . 0 0 "[ ]" 1 1868 1 86 GLN QB 1 88 VAL QG 3.670 . 5.540 2.148 2.148 2.148 . 0 0 "[ ]" 1 1869 1 86 GLN HB2 1 88 VAL H 3.230 . 4.660 3.860 3.860 3.860 . 0 0 "[ ]" 1 1870 1 86 GLN HB2 1 88 VAL MG1 3.915 . 6.030 5.035 5.035 5.035 . 0 0 "[ ]" 1 1871 1 86 GLN HB2 1 88 VAL MG2 3.915 . 6.030 3.152 3.152 3.152 . 0 0 "[ ]" 1 1872 1 86 GLN HB3 1 88 VAL H 3.230 . 4.660 3.668 3.668 3.668 . 0 0 "[ ]" 1 1873 1 86 GLN HB3 1 88 VAL MG1 3.915 . 6.030 4.594 4.594 4.594 . 0 0 "[ ]" 1 1874 1 86 GLN HB3 1 88 VAL MG2 3.915 . 6.030 2.193 2.193 2.193 . 0 0 "[ ]" 1 1875 1 87 GLY H 1 88 VAL H 2.140 . 2.480 2.486 2.486 2.486 0.006 1 0 "[ ]" 1 1876 1 87 GLY H 1 88 VAL QG 4.695 . 7.590 3.984 3.984 3.984 . 0 0 "[ ]" 1 1877 1 88 VAL H 1 88 VAL HB 2.465 . 3.130 2.597 2.597 2.597 . 0 0 "[ ]" 1 1878 1 88 VAL HA 1 89 SER H 2.255 . 2.710 2.292 2.292 2.292 . 0 0 "[ ]" 1 1879 1 88 VAL HA 1 89 SER HA 3.100 . 4.400 4.430 4.430 4.430 0.030 1 0 "[ ]" 1 1880 1 88 VAL HA 1 89 SER QB 3.840 . 5.880 4.171 4.171 4.171 . 0 0 "[ ]" 1 1881 1 88 VAL HB 1 89 SER H 2.840 . 3.880 3.894 3.894 3.894 0.014 1 0 "[ ]" 1 1882 1 88 VAL QG 1 89 SER H 3.415 . 5.030 2.133 2.133 2.133 . 0 0 "[ ]" 1 1883 1 88 VAL QG 1 89 SER HA 4.655 . 7.510 3.738 3.738 3.738 . 0 0 "[ ]" 1 1884 1 88 VAL QG 1 89 SER QB 5.130 . 8.460 3.715 3.715 3.715 . 0 0 "[ ]" 1 1885 1 88 VAL QG 1 90 ILE HA 4.695 . 7.590 4.297 4.297 4.297 . 0 0 "[ ]" 1 1886 1 88 VAL QG 1 90 ILE QG 4.470 . 7.140 3.328 3.328 3.328 . 0 0 "[ ]" 1 1887 1 88 VAL MG1 1 89 SER H 3.915 . 6.030 2.142 2.142 2.142 . 0 0 "[ ]" 1 1888 1 88 VAL MG1 1 90 ILE HG12 5.475 . 9.150 3.693 3.693 3.693 . 0 0 "[ ]" 1 1889 1 88 VAL MG1 1 90 ILE HG13 5.475 . 9.150 3.869 3.869 3.869 . 0 0 "[ ]" 1 1890 1 88 VAL MG2 1 89 SER H 3.915 . 6.030 3.949 3.949 3.949 . 0 0 "[ ]" 1 1891 1 88 VAL MG2 1 90 ILE HG12 5.475 . 9.150 5.958 5.958 5.958 . 0 0 "[ ]" 1 1892 1 88 VAL MG2 1 90 ILE HG13 5.475 . 9.150 5.978 5.978 5.978 . 0 0 "[ ]" 1 1893 1 89 SER H 1 90 ILE H 3.270 . 4.740 4.565 4.565 4.565 . 0 0 "[ ]" 1 1894 1 89 SER HA 1 90 ILE H 2.180 . 2.560 2.429 2.429 2.429 . 0 0 "[ ]" 1 1895 1 89 SER HA 1 90 ILE HA 3.245 . 4.690 4.531 4.531 4.531 . 0 0 "[ ]" 1 1896 1 89 SER HA 1 90 ILE QG 3.840 . 5.880 3.184 3.184 3.184 . 0 0 "[ ]" 1 1897 1 89 SER QB 1 90 ILE HA 3.840 . 5.880 3.984 3.984 3.984 . 0 0 "[ ]" 1 1898 1 89 SER QB 1 91 ARG QD 4.280 . 6.760 5.342 5.342 5.342 . 0 0 "[ ]" 1 1899 1 89 SER QB 1 91 ARG HG2 3.840 . 5.880 4.064 4.064 4.064 . 0 0 "[ ]" 1 1900 1 89 SER QB 1 91 ARG HG3 3.840 . 5.880 4.032 4.032 4.032 . 0 0 "[ ]" 1 1901 1 90 ILE H 1 90 ILE HB 2.410 . 3.020 2.839 2.839 2.839 . 0 0 "[ ]" 1 1902 1 90 ILE H 1 90 ILE MD 3.500 . 5.200 4.085 4.085 4.085 . 0 0 "[ ]" 1 1903 1 90 ILE H 1 90 ILE HG12 2.985 . 4.170 3.945 3.945 3.945 . 0 0 "[ ]" 1 1904 1 90 ILE H 1 90 ILE QG 2.895 . 3.990 2.768 2.768 2.768 . 0 0 "[ ]" 1 1905 1 90 ILE H 1 90 ILE HG13 2.985 . 4.170 2.827 2.827 2.827 . 0 0 "[ ]" 1 1906 1 90 ILE H 1 91 ARG H 3.025 . 4.250 3.953 3.953 3.953 . 0 0 "[ ]" 1 1907 1 90 ILE HA 1 90 ILE HG12 2.960 . 4.120 2.621 2.621 2.621 . 0 0 "[ ]" 1 1908 1 90 ILE HA 1 90 ILE QG 2.880 . 3.960 2.495 2.495 2.495 . 0 0 "[ ]" 1 1909 1 90 ILE HA 1 90 ILE HG13 2.960 . 4.120 3.130 3.130 3.130 . 0 0 "[ ]" 1 1910 1 90 ILE HA 1 91 ARG H 2.425 . 3.050 2.229 2.229 2.229 . 0 0 "[ ]" 1 1911 1 90 ILE HA 1 91 ARG HA 3.320 . 4.840 4.508 4.508 4.508 . 0 0 "[ ]" 1 1912 1 90 ILE HB 1 92 PHE QE 4.460 . 7.120 3.543 3.543 3.543 . 0 0 "[ ]" 1 1913 1 90 ILE MD 1 92 PHE QD 4.975 . 8.150 5.527 5.527 5.527 . 0 0 "[ ]" 1 1914 1 90 ILE MD 1 92 PHE QE 4.975 . 8.150 3.981 3.981 3.981 . 0 0 "[ ]" 1 1915 1 90 ILE MD 1 99 THR MG 4.430 . 7.060 3.633 3.633 3.633 . 0 0 "[ ]" 1 1916 1 90 ILE QG 1 91 ARG H 3.840 . 5.880 4.439 4.439 4.439 . 0 0 "[ ]" 1 1917 1 90 ILE MG 1 91 ARG H 3.305 . 4.810 3.196 3.196 3.196 . 0 0 "[ ]" 1 1918 1 90 ILE MG 1 91 ARG HA 3.915 . 6.030 4.299 4.299 4.299 . 0 0 "[ ]" 1 1919 1 90 ILE MG 1 92 PHE QD 4.845 . 7.890 3.723 3.723 3.723 . 0 0 "[ ]" 1 1920 1 90 ILE MG 1 99 THR MG 4.430 . 7.060 4.669 4.669 4.669 . 0 0 "[ ]" 1 1921 1 91 ARG H 1 91 ARG HB2 2.735 . 3.670 2.374 2.374 2.374 . 0 0 "[ ]" 1 1922 1 91 ARG H 1 91 ARG QB 2.625 . 3.450 2.344 2.344 2.344 . 0 0 "[ ]" 1 1923 1 91 ARG H 1 91 ARG HB3 2.735 . 3.670 3.607 3.607 3.607 . 0 0 "[ ]" 1 1924 1 91 ARG H 1 91 ARG HD2 3.400 . 5.000 4.652 4.652 4.652 . 0 0 "[ ]" 1 1925 1 91 ARG H 1 91 ARG HD3 3.400 . 5.000 4.853 4.853 4.853 . 0 0 "[ ]" 1 1926 1 91 ARG H 1 91 ARG HG2 3.350 . 4.900 3.265 3.265 3.265 . 0 0 "[ ]" 1 1927 1 91 ARG H 1 91 ARG QG 3.165 . 4.530 2.521 2.521 2.521 . 0 0 "[ ]" 1 1928 1 91 ARG H 1 91 ARG HG3 3.350 . 4.900 2.623 2.623 2.623 . 0 0 "[ ]" 1 1929 1 91 ARG H 1 92 PHE QD 4.460 . 7.120 5.615 5.615 5.615 . 0 0 "[ ]" 1 1930 1 91 ARG HA 1 91 ARG HD2 3.400 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 1 1931 1 91 ARG HA 1 91 ARG HD3 3.400 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1 1932 1 91 ARG HA 1 91 ARG HG2 2.710 . 3.620 2.216 2.216 2.216 . 0 0 "[ ]" 1 1933 1 91 ARG HA 1 91 ARG QG 2.600 . 3.400 2.183 2.183 2.183 . 0 0 "[ ]" 1 1934 1 91 ARG HA 1 91 ARG HG3 2.710 . 3.620 3.286 3.286 3.286 . 0 0 "[ ]" 1 1935 1 91 ARG HA 1 92 PHE H 2.620 . 3.440 2.345 2.345 2.345 . 0 0 "[ ]" 1 1936 1 91 ARG HA 1 92 PHE QD 4.460 . 7.120 4.316 4.316 4.316 . 0 0 "[ ]" 1 1937 1 91 ARG QB 1 92 PHE H 3.165 . 4.530 2.714 2.714 2.714 . 0 0 "[ ]" 1 1938 1 91 ARG HB2 1 92 PHE H 3.295 . 4.790 3.932 3.932 3.932 . 0 0 "[ ]" 1 1939 1 91 ARG HB3 1 92 PHE H 3.295 . 4.790 2.766 2.766 2.766 . 0 0 "[ ]" 1 1940 1 92 PHE H 1 92 PHE HB2 2.945 . 4.090 2.575 2.575 2.575 . 0 0 "[ ]" 1 1941 1 92 PHE H 1 92 PHE HB3 2.985 . 4.170 3.755 3.755 3.755 . 0 0 "[ ]" 1 1942 1 92 PHE H 1 95 ASP H 3.100 . 4.400 4.470 4.470 4.470 0.070 1 0 "[ ]" 1 1943 1 92 PHE H 1 96 GLY QA 3.710 . 5.620 3.777 3.777 3.777 . 0 0 "[ ]" 1 1944 1 92 PHE H 1 97 ILE H 3.165 . 4.530 3.739 3.739 3.739 . 0 0 "[ ]" 1 1945 1 92 PHE HA 1 93 ILE H 2.570 . 3.340 2.184 2.184 2.184 . 0 0 "[ ]" 1 1946 1 92 PHE HB2 1 95 ASP H 3.190 . 4.580 3.353 3.353 3.353 . 0 0 "[ ]" 1 1947 1 92 PHE HB3 1 95 ASP H 3.295 . 4.790 3.278 3.278 3.278 . 0 0 "[ ]" 1 1948 1 92 PHE QD 1 93 ILE H 4.460 . 7.120 3.632 3.632 3.632 . 0 0 "[ ]" 1 1949 1 92 PHE QD 1 94 ASP H 4.460 . 7.120 4.266 4.266 4.266 . 0 0 "[ ]" 1 1950 1 92 PHE QD 1 95 ASP QB 4.900 . 8.000 4.587 4.587 4.587 . 0 0 "[ ]" 1 1951 1 92 PHE QD 1 96 GLY QA 4.900 . 8.000 6.063 6.063 6.063 . 0 0 "[ ]" 1 1952 1 92 PHE QD 1 97 ILE H 4.460 . 7.120 4.895 4.895 4.895 . 0 0 "[ ]" 1 1953 1 92 PHE QD 1 97 ILE HB 4.460 . 7.120 5.390 5.390 5.390 . 0 0 "[ ]" 1 1954 1 92 PHE QD 1 99 THR MG 4.975 . 8.150 4.633 4.633 4.633 . 0 0 "[ ]" 1 1955 1 92 PHE QE 1 99 THR MG 4.975 . 8.150 2.867 2.867 2.867 . 0 0 "[ ]" 1 1956 1 92 PHE O 1 95 ASP H 2.000 . 2.300 2.074 2.074 2.074 . 0 0 "[ ]" 1 1957 1 92 PHE O 1 95 ASP N 3.000 2.700 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1 1958 1 93 ILE HB 1 94 ASP H 3.335 . 4.870 4.150 4.150 4.150 . 0 0 "[ ]" 1 1959 1 93 ILE MD 1 94 ASP H 3.915 . 6.030 4.608 4.608 4.608 . 0 0 "[ ]" 1 1960 1 93 ILE MD 1 94 ASP HA 3.915 . 6.030 4.958 4.958 4.958 . 0 0 "[ ]" 1 1961 1 93 ILE QG 1 94 ASP H 3.840 . 5.880 3.925 3.925 3.925 . 0 0 "[ ]" 1 1962 1 93 ILE QG 1 94 ASP HA 3.840 . 5.880 3.802 3.802 3.802 . 0 0 "[ ]" 1 1963 1 93 ILE MG 1 94 ASP H 3.915 . 6.030 2.402 2.402 2.402 . 0 0 "[ ]" 1 1964 1 93 ILE MG 1 94 ASP HA 3.835 . 5.870 3.254 3.254 3.254 . 0 0 "[ ]" 1 1965 1 94 ASP H 1 95 ASP H 2.660 . 3.520 2.689 2.689 2.689 . 0 0 "[ ]" 1 1966 1 95 ASP H 1 96 GLY H 2.385 . 2.970 1.988 1.988 1.988 . 0 0 "[ ]" 1 1967 1 95 ASP HA 1 96 GLY QA 3.615 . 5.430 4.272 4.272 4.272 . 0 0 "[ ]" 1 1968 1 95 ASP QB 1 96 GLY H 3.160 . 4.520 2.473 2.473 2.473 . 0 0 "[ ]" 1 1969 1 95 ASP QB 1 96 GLY QA 4.105 . 6.410 3.869 3.869 3.869 . 0 0 "[ ]" 1 1970 1 95 ASP QB 1 97 ILE H 3.160 . 4.520 2.364 2.364 2.364 . 0 0 "[ ]" 1 1971 1 95 ASP QB 1 97 ILE MD 4.350 . 6.900 3.845 3.845 3.845 . 0 0 "[ ]" 1 1972 1 96 GLY H 1 97 ILE H 2.570 . 3.340 2.325 2.325 2.325 . 0 0 "[ ]" 1 1973 1 96 GLY H 1 97 ILE QG 3.775 . 5.750 3.796 3.796 3.796 . 0 0 "[ ]" 1 1974 1 96 GLY QA 1 97 ILE HA 3.840 . 5.880 4.036 4.036 4.036 . 0 0 "[ ]" 1 1975 1 96 GLY QA 1 97 ILE MD 4.350 . 6.900 5.079 5.079 5.079 . 0 0 "[ ]" 1 1976 1 96 GLY QA 1 97 ILE HG12 3.840 . 5.880 3.911 3.911 3.911 . 0 0 "[ ]" 1 1977 1 96 GLY QA 1 97 ILE HG13 3.840 . 5.880 4.980 4.980 4.980 . 0 0 "[ ]" 1 1978 1 97 ILE H 1 97 ILE HA 2.345 . 2.890 2.977 2.977 2.977 0.087 1 0 "[ ]" 1 1979 1 97 ILE H 1 97 ILE MD 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1 1980 1 97 ILE H 1 97 ILE HG12 2.605 . 3.410 1.995 1.995 1.995 . 0 0 "[ ]" 1 1981 1 97 ILE H 1 97 ILE QG 2.475 . 3.150 1.918 1.918 1.918 . 0 0 "[ ]" 1 1982 1 97 ILE H 1 97 ILE HG13 2.605 . 3.410 2.484 2.484 2.484 . 0 0 "[ ]" 1 1983 1 97 ILE H 1 98 SER H 3.400 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1 1984 1 97 ILE HA 1 97 ILE HG12 2.905 . 4.010 3.629 3.629 3.629 . 0 0 "[ ]" 1 1985 1 97 ILE HA 1 97 ILE HG13 2.905 . 4.010 3.754 3.754 3.754 . 0 0 "[ ]" 1 1986 1 97 ILE HB 1 98 SER H 2.775 . 3.750 1.987 1.987 1.987 . 0 0 "[ ]" 1 1987 1 97 ILE HB 1 100 ASP QB 3.840 . 5.880 3.569 3.569 3.569 . 0 0 "[ ]" 1 1988 1 97 ILE MD 1 97 ILE MG 3.180 . 4.560 1.717 1.717 1.717 0.083 1 0 "[ ]" 1 1989 1 97 ILE HG12 1 98 SER H 3.400 . 5.000 4.601 4.601 4.601 . 0 0 "[ ]" 1 1990 1 97 ILE HG12 1 100 ASP QB 3.840 . 5.880 5.125 5.125 5.125 . 0 0 "[ ]" 1 1991 1 97 ILE HG13 1 98 SER H 3.400 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1 1992 1 97 ILE HG13 1 100 ASP QB 3.840 . 5.880 4.061 4.061 4.061 . 0 0 "[ ]" 1 1993 1 97 ILE MG 1 98 SER H 3.535 . 5.270 3.298 3.298 3.298 . 0 0 "[ ]" 1 1994 1 98 SER H 1 99 THR H 3.385 . 4.970 4.443 4.443 4.443 . 0 0 "[ ]" 1 1995 1 98 SER QB 1 99 THR H 3.150 . 4.500 1.997 1.997 1.997 . 0 0 "[ ]" 1 1996 1 98 SER QB 1 99 THR HB 3.840 . 5.880 4.376 4.376 4.376 . 0 0 "[ ]" 1 1997 1 98 SER QB 1 100 ASP H 3.385 . 4.970 4.001 4.001 4.001 . 0 0 "[ ]" 1 1998 1 98 SER QB 1 100 ASP QB 4.275 . 6.750 4.214 4.214 4.214 . 0 0 "[ ]" 1 1999 1 99 THR H 1 99 THR HB 2.880 . 3.960 2.673 2.673 2.673 . 0 0 "[ ]" 1 2000 1 99 THR H 1 99 THR MG 3.145 . 4.490 2.107 2.107 2.107 . 0 0 "[ ]" 1 2001 1 99 THR H 1 100 ASP QB 3.840 . 5.880 5.183 5.183 5.183 . 0 0 "[ ]" 1 2002 1 99 THR HB 1 100 ASP H 3.400 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1 2003 1 99 THR HB 1 102 GLU QB 3.840 . 5.880 3.939 3.939 3.939 . 0 0 "[ ]" 1 2004 1 99 THR HB 1 102 GLU QG 3.840 . 5.880 4.187 4.187 4.187 . 0 0 "[ ]" 1 2005 1 99 THR MG 1 100 ASP H 3.460 . 5.120 3.992 3.992 3.992 . 0 0 "[ ]" 1 2006 1 99 THR MG 1 100 ASP HA 3.915 . 6.030 4.010 4.010 4.010 . 0 0 "[ ]" 1 2007 1 99 THR MG 1 100 ASP QB 4.350 . 6.900 4.943 4.943 4.943 . 0 0 "[ ]" 1 2008 1 99 THR MG 1 101 GLY H 3.915 . 6.030 3.572 3.572 3.572 . 0 0 "[ ]" 1 2009 1 99 THR MG 1 101 GLY QA 4.350 . 6.900 5.118 5.118 5.118 . 0 0 "[ ]" 1 2010 1 99 THR MG 1 102 GLU H 3.915 . 6.030 4.359 4.359 4.359 . 0 0 "[ ]" 1 2011 1 99 THR MG 1 102 GLU QB 4.355 . 6.910 2.816 2.816 2.816 . 0 0 "[ ]" 1 2012 1 99 THR MG 1 102 GLU QG 4.350 . 6.900 1.947 1.947 1.947 . 0 0 "[ ]" 1 2013 1 100 ASP H 1 100 ASP QB 2.745 . 3.690 2.255 2.255 2.255 . 0 0 "[ ]" 1 2014 1 100 ASP HA 1 101 GLY QA 3.655 . 5.510 4.000 4.000 4.000 . 0 0 "[ ]" 1 2015 1 100 ASP QB 1 101 GLY QA 4.275 . 6.750 4.216 4.216 4.216 . 0 0 "[ ]" 1 2016 1 101 GLY QA 1 102 GLU HA 3.710 . 5.620 4.017 4.017 4.017 . 0 0 "[ ]" 1 2017 1 101 GLY QA 1 102 GLU QB 4.280 . 6.760 4.383 4.383 4.383 . 0 0 "[ ]" 1 2018 1 101 GLY QA 1 102 GLU QG 4.275 . 6.750 3.999 3.999 3.999 . 0 0 "[ ]" 1 2019 1 102 GLU QG 1 103 MET H 3.840 . 5.880 4.158 4.158 4.158 . 0 0 "[ ]" 1 2020 1 103 MET H 1 103 MET HA 2.360 . 2.920 2.973 2.973 2.973 0.053 1 0 "[ ]" 1 2021 1 103 MET H 1 103 MET HG2 3.255 . 4.710 4.457 4.457 4.457 . 0 0 "[ ]" 1 2022 1 103 MET H 1 103 MET HG3 3.255 . 4.710 3.167 3.167 3.167 . 0 0 "[ ]" 1 2023 1 103 MET H 1 104 GLY QA 3.500 . 5.200 4.615 4.615 4.615 . 0 0 "[ ]" 1 2024 1 103 MET HA 1 103 MET QG 2.905 . 4.010 2.398 2.398 2.398 . 0 0 "[ ]" 1 2025 1 103 MET HA 1 104 GLY QA 3.840 . 5.880 3.987 3.987 3.987 . 0 0 "[ ]" 1 2026 1 104 GLY H 1 105 LYS H 2.595 . 3.390 3.306 3.306 3.306 . 0 0 "[ ]" 1 2027 1 105 LYS H 1 105 LYS QB 2.780 . 3.760 2.373 2.373 2.373 . 0 0 "[ ]" 1 2028 1 105 LYS H 1 105 LYS QD 3.840 . 5.880 3.657 3.657 3.657 . 0 0 "[ ]" 1 2029 1 105 LYS H 1 105 LYS QE 3.840 . 5.880 4.863 4.863 4.863 . 0 0 "[ ]" 1 2030 1 105 LYS H 1 105 LYS QG 3.840 . 5.880 2.312 2.312 2.312 . 0 0 "[ ]" 1 2031 1 105 LYS HA 1 105 LYS QD 3.355 . 4.910 4.141 4.141 4.141 . 0 0 "[ ]" 1 2032 1 105 LYS HA 1 105 LYS QE 3.840 . 5.880 3.877 3.877 3.877 . 0 0 "[ ]" 1 2033 1 105 LYS QB 1 105 LYS QE 3.245 . 4.690 2.138 2.138 2.138 . 0 0 "[ ]" 1 2034 1 105 LYS HB2 1 105 LYS QD 2.540 . 3.280 2.320 2.320 2.320 . 0 0 "[ ]" 1 2035 1 105 LYS HB2 1 105 LYS QE 3.540 . 5.280 3.262 3.262 3.262 . 0 0 "[ ]" 1 2036 1 105 LYS HB3 1 105 LYS QD 2.540 . 3.280 2.885 2.885 2.885 . 0 0 "[ ]" 1 2037 1 105 LYS HB3 1 105 LYS QE 3.540 . 5.280 2.167 2.167 2.167 . 0 0 "[ ]" 1 stop_ save_
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