NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
470269 | 1akk | 4189 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1akk 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 15 _Distance_constraint_stats_list.Viol_count 2 _Distance_constraint_stats_list.Viol_total 0.035 _Distance_constraint_stats_list.Viol_max 0.020 _Distance_constraint_stats_list.Viol_rms 0.0063 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0023 _Distance_constraint_stats_list.Viol_average_violations_only 0.0174 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 18 HIS 0.035 0.020 1 0 "[ ]" 1 29 GLY 0.000 0.000 . 0 "[ ]" 1 30 PRO 0.035 0.020 1 0 "[ ]" 1 59 TRP 0.000 0.000 . 0 "[ ]" 1 67 TYR 0.000 0.000 . 0 "[ ]" 1 68 LEU 0.000 0.000 . 0 "[ ]" 1 80 MET 0.000 0.000 . 0 "[ ]" 1 81 ILE 0.000 0.000 . 0 "[ ]" 1 82 PHE 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 18 HIS HE1 1 30 PRO QG . . 4.000 2.896 2.896 2.896 . 0 0 "[ ]" 1 2 1 18 HIS HE1 1 30 PRO HD3 . . 4.000 3.952 3.952 3.952 . 0 0 "[ ]" 1 3 1 18 HIS HE1 1 30 PRO HD2 . . 4.000 2.188 2.188 2.188 . 0 0 "[ ]" 1 4 1 18 HIS HE1 1 30 PRO HB3 . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1 5 1 18 HIS HE1 1 30 PRO HB2 . . 5.500 5.249 5.249 5.249 . 0 0 "[ ]" 1 6 1 18 HIS HE1 1 30 PRO HA . . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1 7 1 18 HIS HE1 1 29 GLY HA3 . . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1 8 1 80 MET HG2 1 82 PHE QB . . 5.500 2.380 2.380 2.380 . 0 0 "[ ]" 1 9 1 80 MET HG2 1 81 ILE HA . . 5.500 4.889 4.889 4.889 . 0 0 "[ ]" 1 10 1 80 MET HG2 1 82 PHE HA . . 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1 11 1 68 LEU MD2 1 80 MET ME . . 6.500 3.167 3.167 3.167 . 0 0 "[ ]" 1 12 1 67 TYR HH 1 80 MET HB2 . . 6.500 3.527 3.527 3.527 . 0 0 "[ ]" 1 13 1 67 TYR HH 1 80 MET ME . . 6.500 2.651 2.651 2.651 . 0 0 "[ ]" 1 14 1 59 TRP HH2 1 67 TYR HH . . 6.500 5.172 5.172 5.172 . 0 0 "[ ]" 1 15 1 67 TYR HH 1 68 LEU MD2 . . 6.500 5.512 5.512 5.512 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 1453 _Distance_constraint_stats_list.Viol_count 96 _Distance_constraint_stats_list.Viol_total 12.286 _Distance_constraint_stats_list.Viol_max 0.877 _Distance_constraint_stats_list.Viol_rms 0.0493 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0085 _Distance_constraint_stats_list.Viol_average_violations_only 0.1280 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLY 1.130 0.877 1 1 [+] 1 2 ASP 0.046 0.046 1 0 "[ ]" 1 3 VAL 0.000 0.000 . 0 "[ ]" 1 4 GLU 0.222 0.194 1 0 "[ ]" 1 5 LYS 0.000 0.000 . 0 "[ ]" 1 6 GLY 0.060 0.033 1 0 "[ ]" 1 7 LYS 0.000 0.000 . 0 "[ ]" 1 8 LYS 0.638 0.397 1 0 "[ ]" 1 9 ILE 0.505 0.241 1 0 "[ ]" 1 10 PHE 0.019 0.019 1 0 "[ ]" 1 11 VAL 0.505 0.185 1 0 "[ ]" 1 12 GLN 0.261 0.159 1 0 "[ ]" 1 13 LYS 0.180 0.150 1 0 "[ ]" 1 14 CYS 0.000 0.000 . 0 "[ ]" 1 15 ALA 0.205 0.138 1 0 "[ ]" 1 16 GLN 0.223 0.138 1 0 "[ ]" 1 17 CYS 0.233 0.109 1 0 "[ ]" 1 18 HIS 0.151 0.109 1 0 "[ ]" 1 19 THR 0.157 0.067 1 0 "[ ]" 1 20 VAL 0.487 0.355 1 0 "[ ]" 1 21 GLU 0.000 0.000 . 0 "[ ]" 1 22 LYS 0.000 0.000 . 0 "[ ]" 1 23 GLY 0.000 0.000 . 0 "[ ]" 1 24 GLY 0.000 0.000 . 0 "[ ]" 1 25 LYS 0.072 0.072 1 0 "[ ]" 1 26 HIS 0.550 0.413 1 0 "[ ]" 1 27 LYS 0.036 0.036 1 0 "[ ]" 1 28 THR 0.000 0.000 . 0 "[ ]" 1 29 GLY 0.437 0.202 1 0 "[ ]" 1 30 PRO 0.733 0.413 1 0 "[ ]" 1 31 ASN 0.631 0.355 1 0 "[ ]" 1 32 LEU 0.005 0.005 1 0 "[ ]" 1 33 HIS 0.000 0.000 . 0 "[ ]" 1 34 GLY 0.000 0.000 . 0 "[ ]" 1 35 LEU 0.091 0.064 1 0 "[ ]" 1 36 PHE 0.270 0.082 1 0 "[ ]" 1 37 GLY 0.010 0.010 1 0 "[ ]" 1 38 ARG 0.000 0.000 . 0 "[ ]" 1 39 LYS 0.021 0.021 1 0 "[ ]" 1 40 THR 0.004 0.004 1 0 "[ ]" 1 41 GLY 0.278 0.238 1 0 "[ ]" 1 42 GLN 0.238 0.238 1 0 "[ ]" 1 43 ALA 0.000 0.000 . 0 "[ ]" 1 44 PRO 0.000 0.000 . 0 "[ ]" 1 45 GLY 0.000 0.000 . 0 "[ ]" 1 46 PHE 0.071 0.033 1 0 "[ ]" 1 47 THR 0.025 0.025 1 0 "[ ]" 1 48 TYR 0.033 0.033 1 0 "[ ]" 1 49 THR 0.244 0.244 1 0 "[ ]" 1 50 ASP 0.044 0.044 1 0 "[ ]" 1 51 ALA 0.000 0.000 . 0 "[ ]" 1 52 ASN 0.244 0.244 1 0 "[ ]" 1 53 LYS 0.044 0.044 1 0 "[ ]" 1 54 ASN 0.303 0.303 1 0 "[ ]" 1 55 LYS 0.337 0.303 1 0 "[ ]" 1 56 GLY 0.057 0.057 1 0 "[ ]" 1 57 ILE 0.068 0.057 1 0 "[ ]" 1 58 THR 0.000 0.000 . 0 "[ ]" 1 59 TRP 0.096 0.054 1 0 "[ ]" 1 60 LYS 0.000 0.000 . 0 "[ ]" 1 61 GLU 0.019 0.015 1 0 "[ ]" 1 62 GLU 0.034 0.019 1 0 "[ ]" 1 63 THR 0.103 0.103 1 0 "[ ]" 1 64 LEU 0.385 0.222 1 0 "[ ]" 1 65 MET 0.463 0.319 1 0 "[ ]" 1 66 GLU 0.664 0.319 1 0 "[ ]" 1 67 TYR 0.000 0.000 . 0 "[ ]" 1 68 LEU 0.583 0.583 1 1 [+] 1 69 GLU 0.567 0.429 1 0 "[ ]" 1 70 ASN 0.000 0.000 . 0 "[ ]" 1 71 PRO 0.208 0.084 1 0 "[ ]" 1 72 LYS 0.357 0.250 1 0 "[ ]" 1 73 LYS 0.000 0.000 . 0 "[ ]" 1 74 TYR 0.029 0.029 1 0 "[ ]" 1 75 ILE 0.000 0.000 . 0 "[ ]" 1 76 PRO 0.436 0.250 1 0 "[ ]" 1 77 GLY 0.000 0.000 . 0 "[ ]" 1 78 THR 0.124 0.124 1 0 "[ ]" 1 79 LYS 0.124 0.124 1 0 "[ ]" 1 80 MET 0.000 0.000 . 0 "[ ]" 1 81 ILE 0.073 0.073 1 0 "[ ]" 1 82 PHE 0.052 0.052 1 0 "[ ]" 1 83 ALA 0.131 0.131 1 0 "[ ]" 1 84 GLY 0.340 0.209 1 0 "[ ]" 1 85 ILE 0.792 0.583 1 1 [+] 1 86 LYS 1.022 0.877 1 1 [+] 1 87 LYS 0.575 0.429 1 0 "[ ]" 1 88 LYS 0.000 0.000 . 0 "[ ]" 1 89 THR 0.073 0.073 1 0 "[ ]" 1 90 GLU 0.134 0.071 1 0 "[ ]" 1 91 ARG 0.003 0.003 1 0 "[ ]" 1 92 GLU 0.308 0.308 1 0 "[ ]" 1 93 ASP 0.439 0.439 1 0 "[ ]" 1 94 LEU 0.968 0.439 1 0 "[ ]" 1 95 ILE 1.112 0.389 1 0 "[ ]" 1 96 ALA 1.044 0.389 1 0 "[ ]" 1 97 TYR 0.681 0.392 1 0 "[ ]" 1 98 LEU 0.492 0.392 1 0 "[ ]" 1 99 LYS 0.352 0.285 1 0 "[ ]" 1 100 LYS 0.279 0.219 1 0 "[ ]" 1 101 ALA 0.219 0.219 1 0 "[ ]" 1 102 THR 0.000 0.000 . 0 "[ ]" 1 103 ASN 0.000 0.000 . 0 "[ ]" 1 104 GLU 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 GLY H1 1 1 GLY QA . . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 2 2 1 1 GLY H1 1 2 ASP H . . 4.600 3.996 3.996 3.996 . 0 0 "[ ]" 2 3 1 1 GLY H1 1 86 LYS QE . . 6.500 7.377 7.377 7.377 0.877 1 1 [+] 2 4 1 1 GLY H1 1 96 ALA MB . . 5.200 4.528 4.528 4.528 . 0 0 "[ ]" 2 5 1 1 GLY QA 1 2 ASP H . . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2 6 1 1 GLY QA 1 93 ASP HA . . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 2 7 1 1 GLY QA 1 96 ALA HA . . 4.200 4.453 4.453 4.453 0.253 1 0 "[ ]" 2 8 1 1 GLY QA 1 96 ALA MB . . 4.300 2.303 2.303 2.303 . 0 0 "[ ]" 2 9 1 1 GLY QA 1 93 ASP H . . 3.900 3.528 3.528 3.528 . 0 0 "[ ]" 2 10 1 2 ASP H 1 2 ASP QB . . 3.400 2.969 2.969 2.969 . 0 0 "[ ]" 2 11 1 2 ASP H 1 3 VAL H . . 6.500 3.994 3.994 3.994 . 0 0 "[ ]" 2 12 1 2 ASP H 1 5 LYS H . . 5.800 5.151 5.151 5.151 . 0 0 "[ ]" 2 13 1 2 ASP H 1 5 LYS QB . . 5.800 4.248 4.248 4.248 . 0 0 "[ ]" 2 14 1 2 ASP H 1 5 LYS QD . . 7.500 5.402 5.402 5.402 . 0 0 "[ ]" 2 15 1 2 ASP H 1 6 GLY H . . 6.500 4.061 4.061 4.061 . 0 0 "[ ]" 2 16 1 2 ASP H 1 93 ASP HA . . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 2 17 1 2 ASP H 1 96 ALA H . . 5.300 4.156 4.156 4.156 . 0 0 "[ ]" 2 18 1 2 ASP H 1 96 ALA HA . . 4.700 4.746 4.746 4.746 0.046 1 0 "[ ]" 2 19 1 2 ASP H 1 96 ALA MB . . 5.500 1.933 1.933 1.933 . 0 0 "[ ]" 2 20 1 2 ASP HA 1 3 VAL H . . 4.100 2.156 2.156 2.156 . 0 0 "[ ]" 2 21 1 2 ASP HA 1 3 VAL MG1 . . 6.600 3.782 3.782 3.782 . 0 0 "[ ]" 2 22 1 2 ASP HA 1 3 VAL MG2 . . 7.500 5.474 5.474 5.474 . 0 0 "[ ]" 2 23 1 2 ASP QB 1 3 VAL H . . 6.100 3.718 3.718 3.718 . 0 0 "[ ]" 2 24 1 2 ASP QB 1 3 VAL HA . . 5.200 4.980 4.980 4.980 . 0 0 "[ ]" 2 25 1 2 ASP QB 1 5 LYS H . . 3.800 2.662 2.662 2.662 . 0 0 "[ ]" 2 26 1 2 ASP QB 1 5 LYS QB . . 6.100 2.244 2.244 2.244 . 0 0 "[ ]" 2 27 1 2 ASP QB 1 6 GLY H . . 4.700 3.373 3.373 3.373 . 0 0 "[ ]" 2 28 1 2 ASP QB 1 3 VAL MG1 . . 6.900 4.649 4.649 4.649 . 0 0 "[ ]" 2 29 1 2 ASP QB 1 3 VAL MG2 . . 7.300 5.944 5.944 5.944 . 0 0 "[ ]" 2 30 1 2 ASP QB 1 4 GLU H . . 4.900 3.633 3.633 3.633 . 0 0 "[ ]" 2 31 1 2 ASP QB 1 5 LYS HA . . 5.500 4.613 4.613 4.613 . 0 0 "[ ]" 2 32 1 3 VAL H 1 3 VAL HB . . 3.600 2.527 2.527 2.527 . 0 0 "[ ]" 2 33 1 3 VAL H 1 3 VAL MG1 . . 4.500 2.038 2.038 2.038 . 0 0 "[ ]" 2 34 1 3 VAL H 1 4 GLU H . . 3.100 2.578 2.578 2.578 . 0 0 "[ ]" 2 35 1 3 VAL H 1 4 GLU HA . . 6.500 5.187 5.187 5.187 . 0 0 "[ ]" 2 36 1 3 VAL H 1 96 ALA MB . . 5.600 3.121 3.121 3.121 . 0 0 "[ ]" 2 37 1 3 VAL HA 1 4 GLU H . . 4.200 3.581 3.581 3.581 . 0 0 "[ ]" 2 38 1 3 VAL HA 1 4 GLU HA . . 6.100 4.829 4.829 4.829 . 0 0 "[ ]" 2 39 1 3 VAL HA 1 6 GLY H . . 4.300 3.631 3.631 3.631 . 0 0 "[ ]" 2 40 1 3 VAL HA 1 6 GLY HA2 . . 6.500 5.286 5.286 5.286 . 0 0 "[ ]" 2 41 1 3 VAL HA 1 7 LYS H . . 4.500 3.863 3.863 3.863 . 0 0 "[ ]" 2 42 1 3 VAL HA 1 96 ALA MB . . 5.200 3.068 3.068 3.068 . 0 0 "[ ]" 2 43 1 3 VAL MG1 1 4 GLU H . . 5.400 2.308 2.308 2.308 . 0 0 "[ ]" 2 44 1 3 VAL MG1 1 4 GLU HA . . 6.500 3.188 3.188 3.188 . 0 0 "[ ]" 2 45 1 3 VAL MG1 1 7 LYS QB . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 2 46 1 3 VAL MG1 1 96 ALA HA . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2 47 1 3 VAL MG1 1 97 TYR QD . . 7.200 5.053 5.053 5.053 . 0 0 "[ ]" 2 48 1 3 VAL MG1 1 100 LYS QE . . 8.000 4.077 4.077 4.077 . 0 0 "[ ]" 2 49 1 3 VAL MG2 1 4 GLU H . . 5.800 3.824 3.824 3.824 . 0 0 "[ ]" 2 50 1 3 VAL MG2 1 4 GLU HA . . 5.800 3.710 3.710 3.710 . 0 0 "[ ]" 2 51 1 3 VAL MG2 1 7 LYS H . . 7.500 4.049 4.049 4.049 . 0 0 "[ ]" 2 52 1 3 VAL MG2 1 7 LYS QB . . 6.100 3.620 3.620 3.620 . 0 0 "[ ]" 2 53 1 3 VAL MG2 1 96 ALA H . . 6.600 6.456 6.456 6.456 . 0 0 "[ ]" 2 54 1 3 VAL MG2 1 96 ALA HA . . 7.500 5.465 5.465 5.465 . 0 0 "[ ]" 2 55 1 3 VAL MG2 1 97 TYR HA . . 3.900 2.170 2.170 2.170 . 0 0 "[ ]" 2 56 1 3 VAL MG2 1 100 LYS QE . . 8.000 3.555 3.555 3.555 . 0 0 "[ ]" 2 57 1 4 GLU H 1 4 GLU HB2 . . 3.100 2.461 2.461 2.461 . 0 0 "[ ]" 2 58 1 4 GLU H 1 4 GLU HB3 . . 3.100 2.503 2.503 2.503 . 0 0 "[ ]" 2 59 1 4 GLU H 1 4 GLU HG2 . . 4.700 4.428 4.428 4.428 . 0 0 "[ ]" 2 60 1 4 GLU H 1 4 GLU HG3 . . 4.200 4.394 4.394 4.394 0.194 1 0 "[ ]" 2 61 1 4 GLU H 1 6 GLY H . . 3.800 3.827 3.827 3.827 0.027 1 0 "[ ]" 2 62 1 4 GLU HA 1 4 GLU HG2 . . 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 2 63 1 4 GLU HA 1 4 GLU HG3 . . 4.200 2.489 2.489 2.489 . 0 0 "[ ]" 2 64 1 4 GLU HA 1 5 LYS H . . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 2 65 1 4 GLU HA 1 7 LYS H . . 4.000 3.643 3.643 3.643 . 0 0 "[ ]" 2 66 1 4 GLU HA 1 7 LYS QB . . 5.200 2.786 2.786 2.786 . 0 0 "[ ]" 2 67 1 4 GLU HA 1 7 LYS QG . . 6.900 4.373 4.373 4.373 . 0 0 "[ ]" 2 68 1 4 GLU HA 1 7 LYS QD . . 7.500 4.602 4.602 4.602 . 0 0 "[ ]" 2 69 1 5 LYS H 1 6 GLY H . . 4.100 2.697 2.697 2.697 . 0 0 "[ ]" 2 70 1 5 LYS H 1 93 ASP QB . . 7.500 6.076 6.076 6.076 . 0 0 "[ ]" 2 71 1 5 LYS HA 1 6 GLY H . . 4.500 3.599 3.599 3.599 . 0 0 "[ ]" 2 72 1 5 LYS QB 1 6 GLY H . . 5.000 2.564 2.564 2.564 . 0 0 "[ ]" 2 73 1 5 LYS QB 1 6 GLY HA3 . . 5.300 4.224 4.224 4.224 . 0 0 "[ ]" 2 74 1 5 LYS QE 1 9 ILE MD . . 8.500 4.753 4.753 4.753 . 0 0 "[ ]" 2 75 1 6 GLY H 1 7 LYS H . . 4.100 2.787 2.787 2.787 . 0 0 "[ ]" 2 76 1 6 GLY H 1 8 LYS H . . 5.700 4.713 4.713 4.713 . 0 0 "[ ]" 2 77 1 6 GLY H 1 9 ILE H . . 6.500 5.307 5.307 5.307 . 0 0 "[ ]" 2 78 1 6 GLY H 1 9 ILE MG . . 7.500 4.402 4.402 4.402 . 0 0 "[ ]" 2 79 1 6 GLY H 1 9 ILE QG . . 7.500 6.551 6.551 6.551 . 0 0 "[ ]" 2 80 1 6 GLY H 1 93 ASP QB . . 6.400 4.261 4.261 4.261 . 0 0 "[ ]" 2 81 1 6 GLY H 1 96 ALA MB . . 7.200 4.127 4.127 4.127 . 0 0 "[ ]" 2 82 1 6 GLY HA2 1 7 LYS H . . 5.300 3.557 3.557 3.557 . 0 0 "[ ]" 2 83 1 6 GLY HA2 1 8 LYS H . . 5.300 4.008 4.008 4.008 . 0 0 "[ ]" 2 84 1 6 GLY HA2 1 9 ILE H . . 3.600 3.212 3.212 3.212 . 0 0 "[ ]" 2 85 1 6 GLY HA2 1 9 ILE MG . . 6.700 2.084 2.084 2.084 . 0 0 "[ ]" 2 86 1 6 GLY HA2 1 9 ILE QG . . 7.500 4.451 4.451 4.451 . 0 0 "[ ]" 2 87 1 6 GLY HA2 1 9 ILE MD . . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 2 88 1 6 GLY HA2 1 93 ASP QB . . 7.200 3.430 3.430 3.430 . 0 0 "[ ]" 2 89 1 6 GLY HA3 1 7 LYS H . . 4.200 2.971 2.971 2.971 . 0 0 "[ ]" 2 90 1 6 GLY HA3 1 7 LYS HA . . 4.900 4.519 4.519 4.519 . 0 0 "[ ]" 2 91 1 6 GLY HA3 1 8 LYS H . . 5.600 4.711 4.711 4.711 . 0 0 "[ ]" 2 92 1 6 GLY HA3 1 9 ILE HB . . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 2 93 1 6 GLY HA3 1 9 ILE MD . . 5.900 4.822 4.822 4.822 . 0 0 "[ ]" 2 94 1 6 GLY HA3 1 10 PHE H . . 5.000 4.766 4.766 4.766 . 0 0 "[ ]" 2 95 1 6 GLY HA3 1 97 TYR HB2 . . 6.200 2.257 2.257 2.257 . 0 0 "[ ]" 2 96 1 7 LYS H 1 8 LYS H . . 3.800 3.094 3.094 3.094 . 0 0 "[ ]" 2 97 1 7 LYS H 1 97 TYR HA . . 5.400 4.705 4.705 4.705 . 0 0 "[ ]" 2 98 1 7 LYS H 1 97 TYR HB2 . . 5.400 2.934 2.934 2.934 . 0 0 "[ ]" 2 99 1 7 LYS H 1 97 TYR HB3 . . 6.500 4.375 4.375 4.375 . 0 0 "[ ]" 2 100 1 7 LYS H 1 97 TYR QD . . 5.600 3.782 3.782 3.782 . 0 0 "[ ]" 2 101 1 7 LYS HA 1 8 LYS H . . 4.200 3.563 3.563 3.563 . 0 0 "[ ]" 2 102 1 7 LYS HA 1 97 TYR HB2 . . 4.500 3.389 3.389 3.389 . 0 0 "[ ]" 2 103 1 7 LYS HA 1 97 TYR QD . . 4.200 2.709 2.709 2.709 . 0 0 "[ ]" 2 104 1 7 LYS QB 1 8 LYS H . . 5.300 2.614 2.614 2.614 . 0 0 "[ ]" 2 105 1 7 LYS QG 1 8 LYS H . . 5.700 3.864 3.864 3.864 . 0 0 "[ ]" 2 106 1 7 LYS QG 1 97 TYR HE2 . . 7.000 6.246 6.246 6.246 . 0 0 "[ ]" 2 107 1 7 LYS QD 1 8 LYS H . . 7.500 5.011 5.011 5.011 . 0 0 "[ ]" 2 108 1 7 LYS QD 1 97 TYR QD . . 7.500 2.615 2.615 2.615 . 0 0 "[ ]" 2 109 1 7 LYS QD 1 97 TYR HE2 . . 6.300 5.488 5.488 5.488 . 0 0 "[ ]" 2 110 1 7 LYS QD 1 97 TYR HE1 . . 7.500 2.200 2.200 2.200 . 0 0 "[ ]" 2 111 1 8 LYS H 1 8 LYS HB3 . . 2.900 2.677 2.677 2.677 . 0 0 "[ ]" 2 112 1 8 LYS H 1 8 LYS HB2 . . 3.700 2.659 2.659 2.659 . 0 0 "[ ]" 2 113 1 8 LYS H 1 8 LYS QD . . 5.800 4.821 4.821 4.821 . 0 0 "[ ]" 2 114 1 8 LYS H 1 8 LYS QE . . 7.300 4.105 4.105 4.105 . 0 0 "[ ]" 2 115 1 8 LYS H 1 9 ILE H . . 3.400 2.486 2.486 2.486 . 0 0 "[ ]" 2 116 1 8 LYS H 1 9 ILE HA . . 5.800 4.747 4.747 4.747 . 0 0 "[ ]" 2 117 1 8 LYS H 1 9 ILE QG . . 7.100 5.535 5.535 5.535 . 0 0 "[ ]" 2 118 1 8 LYS H 1 9 ILE MD . . 7.500 5.812 5.812 5.812 . 0 0 "[ ]" 2 119 1 8 LYS H 1 11 VAL MG1 . . 6.700 5.583 5.583 5.583 . 0 0 "[ ]" 2 120 1 8 LYS HA 1 8 LYS HB3 . . 2.600 2.997 2.997 2.997 0.397 1 0 "[ ]" 2 121 1 8 LYS HA 1 8 LYS QE . . 6.300 2.201 2.201 2.201 . 0 0 "[ ]" 2 122 1 8 LYS HA 1 9 ILE H . . 3.900 3.323 3.323 3.323 . 0 0 "[ ]" 2 123 1 8 LYS HA 1 10 PHE H . . 4.600 4.523 4.523 4.523 . 0 0 "[ ]" 2 124 1 8 LYS HB3 1 9 ILE H . . 3.600 3.841 3.841 3.841 0.241 1 0 "[ ]" 2 125 1 8 LYS HB3 1 12 GLN H . . 6.500 5.471 5.471 5.471 . 0 0 "[ ]" 2 126 1 8 LYS QE 1 12 GLN HE22 . . 7.500 5.930 5.930 5.930 . 0 0 "[ ]" 2 127 1 8 LYS QE 1 97 TYR HE1 . . 7.500 6.545 6.545 6.545 . 0 0 "[ ]" 2 128 1 9 ILE H 1 9 ILE HB . . 2.900 2.550 2.550 2.550 . 0 0 "[ ]" 2 129 1 9 ILE H 1 9 ILE MD . . 5.300 4.484 4.484 4.484 . 0 0 "[ ]" 2 130 1 9 ILE H 1 10 PHE H . . 3.100 2.147 2.147 2.147 . 0 0 "[ ]" 2 131 1 9 ILE H 1 10 PHE HA . . 5.100 4.836 4.836 4.836 . 0 0 "[ ]" 2 132 1 9 ILE H 1 11 VAL H . . 3.800 3.870 3.870 3.870 0.070 1 0 "[ ]" 2 133 1 9 ILE H 1 12 GLN HG3 . . 6.500 5.718 5.718 5.718 . 0 0 "[ ]" 2 134 1 9 ILE H 1 13 LYS H . . 5.400 5.550 5.550 5.550 0.150 1 0 "[ ]" 2 135 1 9 ILE HA 1 10 PHE H . . 4.100 3.578 3.578 3.578 . 0 0 "[ ]" 2 136 1 9 ILE HA 1 12 GLN H . . 3.800 3.811 3.811 3.811 0.011 1 0 "[ ]" 2 137 1 9 ILE HA 1 13 LYS H . . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 2 138 1 9 ILE HB 1 10 PHE H . . 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 2 139 1 9 ILE MG 1 10 PHE H . . 5.500 1.975 1.975 1.975 . 0 0 "[ ]" 2 140 1 9 ILE MG 1 10 PHE HA . . 6.000 3.127 3.127 3.127 . 0 0 "[ ]" 2 141 1 9 ILE MG 1 10 PHE QD . . 7.500 4.702 4.702 4.702 . 0 0 "[ ]" 2 142 1 9 ILE MG 1 12 GLN H . . 7.500 5.399 5.399 5.399 . 0 0 "[ ]" 2 143 1 9 ILE MG 1 13 LYS QE . . 8.500 4.674 4.674 4.674 . 0 0 "[ ]" 2 144 1 9 ILE MG 1 94 LEU H . . 7.000 3.500 3.500 3.500 . 0 0 "[ ]" 2 145 1 9 ILE MG 1 94 LEU HA . . 7.200 2.315 2.315 2.315 . 0 0 "[ ]" 2 146 1 9 ILE MG 1 94 LEU QB . . 4.200 2.806 2.806 2.806 . 0 0 "[ ]" 2 147 1 9 ILE MG 1 94 LEU MD2 . . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 2 148 1 9 ILE QG 1 10 PHE H . . 7.500 4.115 4.115 4.115 . 0 0 "[ ]" 2 149 1 9 ILE MD 1 10 PHE H . . 6.300 4.610 4.610 4.610 . 0 0 "[ ]" 2 150 1 9 ILE MD 1 90 GLU HA . . 4.700 3.588 3.588 3.588 . 0 0 "[ ]" 2 151 1 9 ILE MD 1 93 ASP QB . . 6.800 2.691 2.691 2.691 . 0 0 "[ ]" 2 152 1 9 ILE MD 1 94 LEU H . . 6.000 3.794 3.794 3.794 . 0 0 "[ ]" 2 153 1 9 ILE MD 1 94 LEU HA . . 5.800 3.927 3.927 3.927 . 0 0 "[ ]" 2 154 1 10 PHE H 1 10 PHE HB2 . . 3.100 2.750 2.750 2.750 . 0 0 "[ ]" 2 155 1 10 PHE H 1 10 PHE HB3 . . 3.100 2.321 2.321 2.321 . 0 0 "[ ]" 2 156 1 10 PHE H 1 11 VAL H . . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 2 157 1 10 PHE H 1 11 VAL HA . . 6.400 5.344 5.344 5.344 . 0 0 "[ ]" 2 158 1 10 PHE H 1 11 VAL MG1 . . 7.500 4.282 4.282 4.282 . 0 0 "[ ]" 2 159 1 10 PHE H 1 94 LEU MD1 . . 4.500 3.840 3.840 3.840 . 0 0 "[ ]" 2 160 1 10 PHE H 1 97 TYR HB2 . . 5.500 5.258 5.258 5.258 . 0 0 "[ ]" 2 161 1 10 PHE H 1 97 TYR QD . . 4.800 4.112 4.112 4.112 . 0 0 "[ ]" 2 162 1 10 PHE H 1 97 TYR HE2 . . 4.500 4.519 4.519 4.519 0.019 1 0 "[ ]" 2 163 1 10 PHE HA 1 10 PHE HB3 . . 3.100 3.029 3.029 3.029 . 0 0 "[ ]" 2 164 1 10 PHE HA 1 10 PHE QD . . 4.100 2.450 2.450 2.450 . 0 0 "[ ]" 2 165 1 10 PHE HA 1 11 VAL H . . 4.400 3.645 3.645 3.645 . 0 0 "[ ]" 2 166 1 10 PHE HA 1 11 VAL HA . . 4.700 4.546 4.546 4.546 . 0 0 "[ ]" 2 167 1 10 PHE HA 1 13 LYS H . . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 2 168 1 10 PHE HA 1 14 CYS H . . 4.300 4.147 4.147 4.147 . 0 0 "[ ]" 2 169 1 10 PHE HA 1 94 LEU MD1 . . 4.600 2.298 2.298 2.298 . 0 0 "[ ]" 2 170 1 10 PHE HA 1 94 LEU MD2 . . 6.700 4.028 4.028 4.028 . 0 0 "[ ]" 2 171 1 10 PHE HA 1 97 TYR QD . . 5.600 4.901 4.901 4.901 . 0 0 "[ ]" 2 172 1 10 PHE HA 1 97 TYR HE2 . . 6.500 4.975 4.975 4.975 . 0 0 "[ ]" 2 173 1 10 PHE HB2 1 11 VAL H . . 4.100 3.869 3.869 3.869 . 0 0 "[ ]" 2 174 1 10 PHE HB2 1 94 LEU MD1 . . 5.000 3.358 3.358 3.358 . 0 0 "[ ]" 2 175 1 10 PHE HB2 1 97 TYR QD . . 4.600 2.630 2.630 2.630 . 0 0 "[ ]" 2 176 1 10 PHE HB2 1 97 TYR HE2 . . 4.200 2.853 2.853 2.853 . 0 0 "[ ]" 2 177 1 10 PHE HB2 1 98 LEU MD1 . . 7.500 2.696 2.696 2.696 . 0 0 "[ ]" 2 178 1 10 PHE HB3 1 11 VAL H . . 5.200 2.419 2.419 2.419 . 0 0 "[ ]" 2 179 1 10 PHE HB3 1 94 LEU MD1 . . 5.400 4.526 4.526 4.526 . 0 0 "[ ]" 2 180 1 10 PHE HB3 1 94 LEU MD2 . . 7.500 5.331 5.331 5.331 . 0 0 "[ ]" 2 181 1 10 PHE HB3 1 97 TYR QD . . 4.200 3.224 3.224 3.224 . 0 0 "[ ]" 2 182 1 10 PHE HB3 1 97 TYR HE2 . . 4.400 2.455 2.455 2.455 . 0 0 "[ ]" 2 183 1 10 PHE QD 1 11 VAL H . . 4.700 3.093 3.093 3.093 . 0 0 "[ ]" 2 184 1 10 PHE QD 1 11 VAL HB . . 4.700 4.600 4.600 4.600 . 0 0 "[ ]" 2 185 1 10 PHE QD 1 11 VAL MG1 . . 5.900 2.063 2.063 2.063 . 0 0 "[ ]" 2 186 1 10 PHE QD 1 11 VAL MG2 . . 7.500 4.148 4.148 4.148 . 0 0 "[ ]" 2 187 1 10 PHE QD 1 18 HIS HB3 . . 6.500 5.248 5.248 5.248 . 0 0 "[ ]" 2 188 1 10 PHE QD 1 20 VAL MG1 . . 7.500 2.580 2.580 2.580 . 0 0 "[ ]" 2 189 1 10 PHE QD 1 97 TYR QD . . 5.200 4.144 4.144 4.144 . 0 0 "[ ]" 2 190 1 10 PHE QD 1 97 TYR HE2 . . 4.900 2.249 2.249 2.249 . 0 0 "[ ]" 2 191 1 10 PHE QD 1 98 LEU MD2 . . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 2 192 1 10 PHE QD 1 11 VAL HA . . 4.700 3.596 3.596 3.596 . 0 0 "[ ]" 2 193 1 10 PHE QD 1 15 ALA HA . . 6.200 4.559 4.559 4.559 . 0 0 "[ ]" 2 194 1 10 PHE QD 1 94 LEU MD1 . . 4.600 3.040 3.040 3.040 . 0 0 "[ ]" 2 195 1 10 PHE QD 1 94 LEU MD2 . . 6.700 3.490 3.490 3.490 . 0 0 "[ ]" 2 196 1 10 PHE QD 1 98 LEU MD1 . . 7.300 2.944 2.944 2.944 . 0 0 "[ ]" 2 197 1 10 PHE HE2 1 11 VAL MG1 . . 7.500 2.393 2.393 2.393 . 0 0 "[ ]" 2 198 1 10 PHE HE2 1 11 VAL MG2 . . 7.500 5.160 5.160 5.160 . 0 0 "[ ]" 2 199 1 10 PHE HE2 1 15 ALA HA . . 4.300 3.301 3.301 3.301 . 0 0 "[ ]" 2 200 1 10 PHE HE2 1 15 ALA MB . . 5.100 3.133 3.133 3.133 . 0 0 "[ ]" 2 201 1 10 PHE HE2 1 18 HIS H . . 6.500 5.534 5.534 5.534 . 0 0 "[ ]" 2 202 1 10 PHE HE2 1 18 HIS HB2 . . 6.300 4.821 4.821 4.821 . 0 0 "[ ]" 2 203 1 10 PHE HE2 1 18 HIS HB3 . . 4.800 4.741 4.741 4.741 . 0 0 "[ ]" 2 204 1 10 PHE HE2 1 19 THR HA . . 5.500 3.427 3.427 3.427 . 0 0 "[ ]" 2 205 1 10 PHE HE2 1 20 VAL MG1 . . 5.500 2.288 2.288 2.288 . 0 0 "[ ]" 2 206 1 10 PHE HE2 1 98 LEU MD1 . . 7.500 5.776 5.776 5.776 . 0 0 "[ ]" 2 207 1 10 PHE HE2 1 98 LEU MD2 . . 5.800 4.837 4.837 4.837 . 0 0 "[ ]" 2 208 1 10 PHE HE2 1 101 ALA MB . . 7.500 6.187 6.187 6.187 . 0 0 "[ ]" 2 209 1 10 PHE HE1 1 15 ALA HA . . 5.200 3.877 3.877 3.877 . 0 0 "[ ]" 2 210 1 10 PHE HE1 1 15 ALA MB . . 5.800 4.915 4.915 4.915 . 0 0 "[ ]" 2 211 1 10 PHE HE1 1 18 HIS HB2 . . 5.600 2.638 2.638 2.638 . 0 0 "[ ]" 2 212 1 10 PHE HE1 1 18 HIS HB3 . . 4.600 3.210 3.210 3.210 . 0 0 "[ ]" 2 213 1 10 PHE HE1 1 20 VAL MG1 . . 6.200 4.313 4.313 4.313 . 0 0 "[ ]" 2 214 1 10 PHE HE1 1 32 LEU MD2 . . 7.500 5.579 5.579 5.579 . 0 0 "[ ]" 2 215 1 10 PHE HE1 1 97 TYR HE2 . . 5.800 5.795 5.795 5.795 . 0 0 "[ ]" 2 216 1 10 PHE HE1 1 98 LEU MD1 . . 7.500 4.366 4.366 4.366 . 0 0 "[ ]" 2 217 1 10 PHE HE1 1 98 LEU MD2 . . 5.200 4.393 4.393 4.393 . 0 0 "[ ]" 2 218 1 10 PHE HZ 1 15 ALA HA . . 4.300 2.530 2.530 2.530 . 0 0 "[ ]" 2 219 1 10 PHE HZ 1 15 ALA MB . . 6.000 3.718 3.718 3.718 . 0 0 "[ ]" 2 220 1 10 PHE HZ 1 18 HIS H . . 5.600 3.729 3.729 3.729 . 0 0 "[ ]" 2 221 1 10 PHE HZ 1 18 HIS HB2 . . 3.900 2.374 2.374 2.374 . 0 0 "[ ]" 2 222 1 10 PHE HZ 1 18 HIS HB3 . . 3.300 2.518 2.518 2.518 . 0 0 "[ ]" 2 223 1 10 PHE HZ 1 19 THR H . . 5.300 3.945 3.945 3.945 . 0 0 "[ ]" 2 224 1 10 PHE HZ 1 19 THR HA . . 4.100 3.683 3.683 3.683 . 0 0 "[ ]" 2 225 1 10 PHE HZ 1 19 THR HB . . 6.500 5.751 5.751 5.751 . 0 0 "[ ]" 2 226 1 10 PHE HZ 1 20 VAL MG1 . . 4.600 3.448 3.448 3.448 . 0 0 "[ ]" 2 227 1 10 PHE HZ 1 32 LEU MD1 . . 6.200 3.564 3.564 3.564 . 0 0 "[ ]" 2 228 1 11 VAL H 1 11 VAL HB . . 3.300 3.485 3.485 3.485 0.185 1 0 "[ ]" 2 229 1 11 VAL H 1 11 VAL MG1 . . 4.300 2.043 2.043 2.043 . 0 0 "[ ]" 2 230 1 11 VAL H 1 11 VAL MG2 . . 4.600 2.125 2.125 2.125 . 0 0 "[ ]" 2 231 1 11 VAL H 1 12 GLN H . . 3.800 2.863 2.863 2.863 . 0 0 "[ ]" 2 232 1 11 VAL H 1 13 LYS H . . 5.200 4.052 4.052 4.052 . 0 0 "[ ]" 2 233 1 11 VAL H 1 97 TYR QD . . 5.600 5.479 5.479 5.479 . 0 0 "[ ]" 2 234 1 11 VAL H 1 97 TYR HE2 . . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 2 235 1 11 VAL HA 1 11 VAL HB . . 2.900 2.409 2.409 2.409 . 0 0 "[ ]" 2 236 1 11 VAL HA 1 11 VAL MG1 . . 3.700 2.376 2.376 2.376 . 0 0 "[ ]" 2 237 1 11 VAL HA 1 12 GLN H . . 3.900 3.588 3.588 3.588 . 0 0 "[ ]" 2 238 1 11 VAL HA 1 12 GLN QB . . 5.300 5.459 5.459 5.459 0.159 1 0 "[ ]" 2 239 1 11 VAL HB 1 12 GLN H . . 3.500 3.590 3.590 3.590 0.090 1 0 "[ ]" 2 240 1 11 VAL MG1 1 12 GLN H . . 5.400 3.900 3.900 3.900 . 0 0 "[ ]" 2 241 1 11 VAL MG1 1 97 TYR HE2 . . 7.200 3.716 3.716 3.716 . 0 0 "[ ]" 2 242 1 11 VAL MG2 1 12 GLN H . . 5.100 2.027 2.027 2.027 . 0 0 "[ ]" 2 243 1 11 VAL MG2 1 12 GLN HA . . 4.800 3.458 3.458 3.458 . 0 0 "[ ]" 2 244 1 11 VAL MG2 1 15 ALA HA . . 6.400 5.466 5.466 5.466 . 0 0 "[ ]" 2 245 1 11 VAL MG2 1 97 TYR HE2 . . 7.300 5.533 5.533 5.533 . 0 0 "[ ]" 2 246 1 12 GLN H 1 12 GLN QB . . 3.400 2.460 2.460 2.460 . 0 0 "[ ]" 2 247 1 12 GLN H 1 12 GLN HG2 . . 4.200 3.535 3.535 3.535 . 0 0 "[ ]" 2 248 1 12 GLN H 1 12 GLN HG3 . . 4.500 2.610 2.610 2.610 . 0 0 "[ ]" 2 249 1 12 GLN H 1 13 LYS H . . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 2 250 1 12 GLN H 1 13 LYS HA . . 6.500 5.403 5.403 5.403 . 0 0 "[ ]" 2 251 1 12 GLN H 1 14 CYS H . . 4.600 4.255 4.255 4.255 . 0 0 "[ ]" 2 252 1 12 GLN HA 1 12 GLN HG2 . . 4.200 2.300 2.300 2.300 . 0 0 "[ ]" 2 253 1 12 GLN HA 1 12 GLN HG3 . . 4.200 3.103 3.103 3.103 . 0 0 "[ ]" 2 254 1 12 GLN HA 1 13 LYS H . . 4.300 3.617 3.617 3.617 . 0 0 "[ ]" 2 255 1 12 GLN QB 1 12 GLN HG3 . . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 2 256 1 12 GLN QB 1 13 LYS H . . 3.600 2.880 2.880 2.880 . 0 0 "[ ]" 2 257 1 12 GLN QB 1 13 LYS QG . . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 2 258 1 12 GLN HG2 1 13 LYS H . . 6.500 5.164 5.164 5.164 . 0 0 "[ ]" 2 259 1 12 GLN HG3 1 13 LYS H . . 6.100 4.777 4.777 4.777 . 0 0 "[ ]" 2 260 1 13 LYS H 1 14 CYS H . . 3.300 2.604 2.604 2.604 . 0 0 "[ ]" 2 261 1 13 LYS H 1 15 ALA HA . . 6.500 6.530 6.530 6.530 0.030 1 0 "[ ]" 2 262 1 13 LYS QB 1 14 CYS H . . 6.000 2.818 2.818 2.818 . 0 0 "[ ]" 2 263 1 13 LYS QB 1 82 PHE CZ . . 8.000 3.603 3.603 3.603 . 0 0 "[ ]" 2 264 1 13 LYS QB 1 82 PHE HZ . . 5.600 3.054 3.054 3.054 . 0 0 "[ ]" 2 265 1 13 LYS QG 1 14 CYS H . . 7.500 4.337 4.337 4.337 . 0 0 "[ ]" 2 266 1 13 LYS QG 1 82 PHE CZ . . 7.900 4.830 4.830 4.830 . 0 0 "[ ]" 2 267 1 13 LYS QE 1 82 PHE HZ . . 6.800 4.556 4.556 4.556 . 0 0 "[ ]" 2 268 1 13 LYS QE 1 85 ILE MD . . 7.500 3.532 3.532 3.532 . 0 0 "[ ]" 2 269 1 13 LYS QE 1 94 LEU QB . . 7.500 5.848 5.848 5.848 . 0 0 "[ ]" 2 270 1 14 CYS H 1 15 ALA HA . . 4.800 4.399 4.399 4.399 . 0 0 "[ ]" 2 271 1 14 CYS H 1 16 GLN H . . 4.800 4.549 4.549 4.549 . 0 0 "[ ]" 2 272 1 14 CYS HA 1 15 ALA HA . . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 2 273 1 15 ALA H 1 15 ALA MB . . 3.300 2.271 2.271 2.271 . 0 0 "[ ]" 2 274 1 15 ALA H 1 16 GLN H . . 3.900 2.643 2.643 2.643 . 0 0 "[ ]" 2 275 1 15 ALA H 1 17 CYS H . . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 2 276 1 15 ALA H 1 18 HIS H . . 5.400 4.945 4.945 4.945 . 0 0 "[ ]" 2 277 1 15 ALA HA 1 16 GLN H . . 4.300 3.607 3.607 3.607 . 0 0 "[ ]" 2 278 1 15 ALA HA 1 16 GLN HE21 . . 6.500 6.638 6.638 6.638 0.138 1 0 "[ ]" 2 279 1 15 ALA HA 1 18 HIS H . . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 2 280 1 15 ALA HA 1 18 HIS HB2 . . 4.000 3.396 3.396 3.396 . 0 0 "[ ]" 2 281 1 15 ALA HA 1 18 HIS HB3 . . 4.700 4.464 4.464 4.464 . 0 0 "[ ]" 2 282 1 15 ALA MB 1 16 GLN H . . 3.400 2.850 2.850 2.850 . 0 0 "[ ]" 2 283 1 15 ALA MB 1 17 CYS H . . 5.400 4.505 4.505 4.505 . 0 0 "[ ]" 2 284 1 15 ALA MB 1 18 HIS H . . 4.700 3.990 3.990 3.990 . 0 0 "[ ]" 2 285 1 16 GLN H 1 16 GLN HB2 . . 3.300 2.422 2.422 2.422 . 0 0 "[ ]" 2 286 1 16 GLN H 1 16 GLN HB3 . . 3.400 2.593 2.593 2.593 . 0 0 "[ ]" 2 287 1 16 GLN H 1 16 GLN HG2 . . 4.800 4.602 4.602 4.602 . 0 0 "[ ]" 2 288 1 16 GLN H 1 16 GLN HG3 . . 4.400 4.485 4.485 4.485 0.085 1 0 "[ ]" 2 289 1 16 GLN H 1 16 GLN HE21 . . 6.500 4.674 4.674 4.674 . 0 0 "[ ]" 2 290 1 16 GLN H 1 16 GLN HE22 . . 6.500 5.448 5.448 5.448 . 0 0 "[ ]" 2 291 1 16 GLN H 1 17 CYS H . . 3.400 2.892 2.892 2.892 . 0 0 "[ ]" 2 292 1 16 GLN H 1 18 HIS H . . 4.600 4.051 4.051 4.051 . 0 0 "[ ]" 2 293 1 16 GLN HB2 1 17 CYS H . . 4.200 4.072 4.072 4.072 . 0 0 "[ ]" 2 294 1 16 GLN HB2 1 18 HIS H . . 6.200 5.722 5.722 5.722 . 0 0 "[ ]" 2 295 1 16 GLN HB3 1 17 CYS H . . 4.000 2.909 2.909 2.909 . 0 0 "[ ]" 2 296 1 16 GLN HB3 1 17 CYS HA . . 5.300 4.700 4.700 4.700 . 0 0 "[ ]" 2 297 1 16 GLN HB3 1 18 HIS H . . 5.400 5.038 5.038 5.038 . 0 0 "[ ]" 2 298 1 16 GLN HG2 1 17 CYS H . . 5.000 4.986 4.986 4.986 . 0 0 "[ ]" 2 299 1 16 GLN HG3 1 17 CYS H . . 4.900 3.997 3.997 3.997 . 0 0 "[ ]" 2 300 1 16 GLN HG3 1 18 HIS H . . 6.500 5.726 5.726 5.726 . 0 0 "[ ]" 2 301 1 16 GLN HE21 1 18 HIS H . . 6.500 5.309 5.309 5.309 . 0 0 "[ ]" 2 302 1 17 CYS H 1 18 HIS H . . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 2 303 1 17 CYS HA 1 18 HIS H . . 3.400 3.509 3.509 3.509 0.109 1 0 "[ ]" 2 304 1 17 CYS HA 1 18 HIS HA . . 6.200 4.599 4.599 4.599 . 0 0 "[ ]" 2 305 1 17 CYS HA 1 28 THR H . . 6.300 2.828 2.828 2.828 . 0 0 "[ ]" 2 306 1 17 CYS HA 1 28 THR HB . . 3.500 3.190 3.190 3.190 . 0 0 "[ ]" 2 307 1 17 CYS HA 1 28 THR MG . . 5.900 4.715 4.715 4.715 . 0 0 "[ ]" 2 308 1 17 CYS HA 1 29 GLY H . . 3.700 3.788 3.788 3.788 0.088 1 0 "[ ]" 2 309 1 17 CYS HA 1 29 GLY HA2 . . 5.500 5.470 5.470 5.470 . 0 0 "[ ]" 2 310 1 17 CYS HB3 1 27 LYS H . . 5.700 5.736 5.736 5.736 0.036 1 0 "[ ]" 2 311 1 17 CYS HB3 1 28 THR MG . . 4.500 3.762 3.762 3.762 . 0 0 "[ ]" 2 312 1 18 HIS H 1 18 HIS HB2 . . 4.000 2.617 2.617 2.617 . 0 0 "[ ]" 2 313 1 18 HIS H 1 18 HIS HB3 . . 4.200 3.753 3.753 3.753 . 0 0 "[ ]" 2 314 1 18 HIS H 1 19 THR H . . 4.600 4.483 4.483 4.483 . 0 0 "[ ]" 2 315 1 18 HIS H 1 19 THR HA . . 6.400 5.095 5.095 5.095 . 0 0 "[ ]" 2 316 1 18 HIS H 1 28 THR HB . . 6.500 6.450 6.450 6.450 . 0 0 "[ ]" 2 317 1 18 HIS H 1 29 GLY H . . 6.400 5.672 5.672 5.672 . 0 0 "[ ]" 2 318 1 18 HIS HA 1 18 HIS HB3 . . 3.000 2.586 2.586 2.586 . 0 0 "[ ]" 2 319 1 18 HIS HA 1 19 THR H . . 3.000 2.219 2.219 2.219 . 0 0 "[ ]" 2 320 1 18 HIS HA 1 19 THR HA . . 4.800 4.472 4.472 4.472 . 0 0 "[ ]" 2 321 1 18 HIS HA 1 19 THR HB . . 5.800 4.519 4.519 4.519 . 0 0 "[ ]" 2 322 1 18 HIS HA 1 19 THR MG . . 7.500 5.136 5.136 5.136 . 0 0 "[ ]" 2 323 1 18 HIS HA 1 31 ASN H . . 6.100 4.912 4.912 4.912 . 0 0 "[ ]" 2 324 1 18 HIS HA 1 31 ASN HA . . 4.700 3.954 3.954 3.954 . 0 0 "[ ]" 2 325 1 18 HIS HB3 1 19 THR H . . 3.900 2.671 2.671 2.671 . 0 0 "[ ]" 2 326 1 18 HIS HB3 1 19 THR HA . . 5.100 4.367 4.367 4.367 . 0 0 "[ ]" 2 327 1 18 HIS HB3 1 19 THR HB . . 6.500 5.061 5.061 5.061 . 0 0 "[ ]" 2 328 1 18 HIS HB3 1 32 LEU H . . 6.500 4.100 4.100 4.100 . 0 0 "[ ]" 2 329 1 18 HIS HB3 1 32 LEU HA . . 6.300 6.305 6.305 6.305 0.005 1 0 "[ ]" 2 330 1 18 HIS HB3 1 32 LEU MD1 . . 5.000 2.301 2.301 2.301 . 0 0 "[ ]" 2 331 1 18 HIS HB3 1 32 LEU MD2 . . 6.500 4.692 4.692 4.692 . 0 0 "[ ]" 2 332 1 19 THR H 1 19 THR HG1 . . 4.400 3.511 3.511 3.511 . 0 0 "[ ]" 2 333 1 19 THR H 1 20 VAL H . . 5.500 4.480 4.480 4.480 . 0 0 "[ ]" 2 334 1 19 THR H 1 31 ASN H . . 5.200 4.294 4.294 4.294 . 0 0 "[ ]" 2 335 1 19 THR H 1 31 ASN HA . . 3.100 2.218 2.218 2.218 . 0 0 "[ ]" 2 336 1 19 THR H 1 31 ASN HB2 . . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 2 337 1 19 THR H 1 31 ASN HB3 . . 5.400 5.025 5.025 5.025 . 0 0 "[ ]" 2 338 1 19 THR H 1 32 LEU H . . 4.000 3.177 3.177 3.177 . 0 0 "[ ]" 2 339 1 19 THR HA 1 20 VAL H . . 3.300 2.427 2.427 2.427 . 0 0 "[ ]" 2 340 1 19 THR HA 1 20 VAL MG1 . . 5.300 3.660 3.660 3.660 . 0 0 "[ ]" 2 341 1 19 THR HA 1 20 VAL MG2 . . 5.300 4.053 4.053 4.053 . 0 0 "[ ]" 2 342 1 19 THR HA 1 21 GLU H . . 5.500 3.870 3.870 3.870 . 0 0 "[ ]" 2 343 1 19 THR HA 1 31 ASN HA . . 4.600 4.309 4.309 4.309 . 0 0 "[ ]" 2 344 1 19 THR HA 1 31 ASN HB2 . . 6.500 5.118 5.118 5.118 . 0 0 "[ ]" 2 345 1 19 THR HA 1 31 ASN HB3 . . 6.500 6.557 6.557 6.557 0.057 1 0 "[ ]" 2 346 1 19 THR HB 1 20 VAL H . . 3.600 3.634 3.634 3.634 0.034 1 0 "[ ]" 2 347 1 19 THR HB 1 20 VAL MG1 . . 7.100 5.017 5.017 5.017 . 0 0 "[ ]" 2 348 1 19 THR HB 1 20 VAL MG2 . . 6.700 5.266 5.266 5.266 . 0 0 "[ ]" 2 349 1 19 THR HB 1 21 GLU H . . 5.100 3.432 3.432 3.432 . 0 0 "[ ]" 2 350 1 19 THR HB 1 24 GLY H . . 6.500 4.864 4.864 4.864 . 0 0 "[ ]" 2 351 1 19 THR HB 1 24 GLY HA3 . . 6.500 4.351 4.351 4.351 . 0 0 "[ ]" 2 352 1 19 THR HB 1 31 ASN HA . . 6.500 2.061 2.061 2.061 . 0 0 "[ ]" 2 353 1 19 THR HB 1 31 ASN HB2 . . 6.500 2.268 2.268 2.268 . 0 0 "[ ]" 2 354 1 19 THR HB 1 31 ASN HB3 . . 5.100 3.599 3.599 3.599 . 0 0 "[ ]" 2 355 1 19 THR HB 1 32 LEU H . . 6.500 3.477 3.477 3.477 . 0 0 "[ ]" 2 356 1 19 THR MG 1 20 VAL H . . 7.400 2.376 2.376 2.376 . 0 0 "[ ]" 2 357 1 19 THR MG 1 22 LYS H . . 4.900 2.418 2.418 2.418 . 0 0 "[ ]" 2 358 1 19 THR HG1 1 21 GLU H . . 6.500 5.087 5.087 5.087 . 0 0 "[ ]" 2 359 1 19 THR HG1 1 22 LYS HA . . 6.500 5.173 5.173 5.173 . 0 0 "[ ]" 2 360 1 19 THR HG1 1 24 GLY H . . 6.500 3.779 3.779 3.779 . 0 0 "[ ]" 2 361 1 19 THR HG1 1 24 GLY HA3 . . 6.000 2.772 2.772 2.772 . 0 0 "[ ]" 2 362 1 19 THR HG1 1 31 ASN H . . 6.100 4.527 4.527 4.527 . 0 0 "[ ]" 2 363 1 19 THR HG1 1 31 ASN HA . . 4.200 3.712 3.712 3.712 . 0 0 "[ ]" 2 364 1 19 THR HG1 1 31 ASN HB2 . . 4.200 2.635 2.635 2.635 . 0 0 "[ ]" 2 365 1 19 THR HG1 1 31 ASN HB3 . . 4.300 4.367 4.367 4.367 0.067 1 0 "[ ]" 2 366 1 20 VAL H 1 20 VAL HB . . 3.600 3.698 3.698 3.698 0.098 1 0 "[ ]" 2 367 1 20 VAL H 1 20 VAL MG2 . . 4.400 2.164 2.164 2.164 . 0 0 "[ ]" 2 368 1 20 VAL H 1 21 GLU H . . 4.600 2.155 2.155 2.155 . 0 0 "[ ]" 2 369 1 20 VAL H 1 31 ASN HB3 . . 6.500 6.855 6.855 6.855 0.355 1 0 "[ ]" 2 370 1 20 VAL HB 1 97 TYR QD . . 5.700 5.493 5.493 5.493 . 0 0 "[ ]" 2 371 1 20 VAL HB 1 97 TYR HE2 . . 5.200 4.315 4.315 4.315 . 0 0 "[ ]" 2 372 1 20 VAL HB 1 101 ALA MB . . 6.000 2.115 2.115 2.115 . 0 0 "[ ]" 2 373 1 20 VAL MG1 1 21 GLU H . . 7.500 4.159 4.159 4.159 . 0 0 "[ ]" 2 374 1 20 VAL MG1 1 97 TYR HE2 . . 5.400 2.158 2.158 2.158 . 0 0 "[ ]" 2 375 1 20 VAL MG1 1 98 LEU MD2 . . 6.600 2.171 2.171 2.171 . 0 0 "[ ]" 2 376 1 20 VAL MG2 1 21 GLU H . . 7.100 2.985 2.985 2.985 . 0 0 "[ ]" 2 377 1 20 VAL MG2 1 33 HIS QB . . 8.500 5.625 5.625 5.625 . 0 0 "[ ]" 2 378 1 20 VAL MG2 1 97 TYR HE2 . . 6.600 3.630 3.630 3.630 . 0 0 "[ ]" 2 379 1 20 VAL MG2 1 101 ALA HA . . 6.100 4.265 4.265 4.265 . 0 0 "[ ]" 2 380 1 21 GLU H 1 22 LYS H . . 6.300 2.350 2.350 2.350 . 0 0 "[ ]" 2 381 1 21 GLU HA 1 22 LYS H . . 4.500 3.629 3.629 3.629 . 0 0 "[ ]" 2 382 1 21 GLU QB 1 22 LYS H . . 6.600 2.239 2.239 2.239 . 0 0 "[ ]" 2 383 1 22 LYS H 1 22 LYS HB2 . . 3.400 2.566 2.566 2.566 . 0 0 "[ ]" 2 384 1 22 LYS H 1 23 GLY H . . 6.300 4.401 4.401 4.401 . 0 0 "[ ]" 2 385 1 22 LYS HA 1 22 LYS QE . . 5.900 4.626 4.626 4.626 . 0 0 "[ ]" 2 386 1 22 LYS HA 1 23 GLY H . . 3.400 2.434 2.434 2.434 . 0 0 "[ ]" 2 387 1 22 LYS HA 1 23 GLY HA2 . . 5.200 4.619 4.619 4.619 . 0 0 "[ ]" 2 388 1 22 LYS HA 1 23 GLY HA3 . . 6.500 4.615 4.615 4.615 . 0 0 "[ ]" 2 389 1 22 LYS HA 1 24 GLY H . . 5.300 4.302 4.302 4.302 . 0 0 "[ ]" 2 390 1 22 LYS HB2 1 23 GLY H . . 5.200 3.751 3.751 3.751 . 0 0 "[ ]" 2 391 1 22 LYS HB3 1 23 GLY H . . 4.300 2.389 2.389 2.389 . 0 0 "[ ]" 2 392 1 22 LYS QG 1 23 GLY H . . 7.300 3.365 3.365 3.365 . 0 0 "[ ]" 2 393 1 22 LYS QD 1 23 GLY H . . 6.900 4.589 4.589 4.589 . 0 0 "[ ]" 2 394 1 22 LYS QE 1 23 GLY H . . 7.500 5.571 5.571 5.571 . 0 0 "[ ]" 2 395 1 23 GLY H 1 24 GLY H . . 4.600 3.647 3.647 3.647 . 0 0 "[ ]" 2 396 1 23 GLY HA2 1 24 GLY H . . 6.100 3.569 3.569 3.569 . 0 0 "[ ]" 2 397 1 24 GLY H 1 25 LYS H . . 5.800 4.637 4.637 4.637 . 0 0 "[ ]" 2 398 1 24 GLY HA2 1 25 LYS H . . 6.500 2.229 2.229 2.229 . 0 0 "[ ]" 2 399 1 24 GLY HA3 1 25 LYS H . . 5.000 3.093 3.093 3.093 . 0 0 "[ ]" 2 400 1 25 LYS H 1 25 LYS HB2 . . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 2 401 1 25 LYS H 1 25 LYS HB3 . . 3.600 3.672 3.672 3.672 0.072 1 0 "[ ]" 2 402 1 25 LYS H 1 25 LYS HG2 . . 4.400 4.011 4.011 4.011 . 0 0 "[ ]" 2 403 1 25 LYS H 1 25 LYS HG3 . . 4.400 2.711 2.711 2.711 . 0 0 "[ ]" 2 404 1 25 LYS H 1 25 LYS QD . . 5.900 3.798 3.798 3.798 . 0 0 "[ ]" 2 405 1 25 LYS H 1 25 LYS QE . . 7.300 4.076 4.076 4.076 . 0 0 "[ ]" 2 406 1 25 LYS HA 1 25 LYS HG2 . . 4.500 2.682 2.682 2.682 . 0 0 "[ ]" 2 407 1 25 LYS HA 1 25 LYS HG3 . . 4.300 2.847 2.847 2.847 . 0 0 "[ ]" 2 408 1 25 LYS HA 1 26 HIS HD2 . . 6.500 3.926 3.926 3.926 . 0 0 "[ ]" 2 409 1 25 LYS HB2 1 26 HIS H . . 3.800 3.631 3.631 3.631 . 0 0 "[ ]" 2 410 1 25 LYS HB3 1 26 HIS H . . 4.000 2.505 2.505 2.505 . 0 0 "[ ]" 2 411 1 25 LYS HG2 1 26 HIS H . . 4.700 4.131 4.131 4.131 . 0 0 "[ ]" 2 412 1 25 LYS HG3 1 26 HIS H . . 4.900 4.763 4.763 4.763 . 0 0 "[ ]" 2 413 1 26 HIS H 1 26 HIS HB2 . . 3.900 2.286 2.286 2.286 . 0 0 "[ ]" 2 414 1 26 HIS H 1 26 HIS HB3 . . 4.200 3.527 3.527 3.527 . 0 0 "[ ]" 2 415 1 26 HIS H 1 26 HIS HD2 . . 6.300 2.692 2.692 2.692 . 0 0 "[ ]" 2 416 1 26 HIS H 1 27 LYS HA . . 6.200 5.289 5.289 5.289 . 0 0 "[ ]" 2 417 1 26 HIS H 1 31 ASN H . . 6.000 5.724 5.724 5.724 . 0 0 "[ ]" 2 418 1 26 HIS HA 1 31 ASN H . . 4.700 4.462 4.462 4.462 . 0 0 "[ ]" 2 419 1 26 HIS HB2 1 27 LYS H . . 6.100 4.556 4.556 4.556 . 0 0 "[ ]" 2 420 1 26 HIS HB3 1 27 LYS H . . 5.200 4.341 4.341 4.341 . 0 0 "[ ]" 2 421 1 26 HIS HB3 1 31 ASN H . . 6.500 5.678 5.678 5.678 . 0 0 "[ ]" 2 422 1 26 HIS HD2 1 30 PRO HB3 . . 6.500 6.618 6.618 6.618 0.118 1 0 "[ ]" 2 423 1 26 HIS HE1 1 30 PRO HA . . 4.600 2.485 2.485 2.485 . 0 0 "[ ]" 2 424 1 26 HIS HE1 1 30 PRO HB3 . . 4.100 2.895 2.895 2.895 . 0 0 "[ ]" 2 425 1 26 HIS HE1 1 30 PRO HB2 . . 3.000 2.860 2.860 2.860 . 0 0 "[ ]" 2 426 1 26 HIS HE1 1 30 PRO QG . . 4.100 4.513 4.513 4.513 0.413 1 0 "[ ]" 2 427 1 26 HIS HE1 1 30 PRO HD3 . . 6.500 5.315 5.315 5.315 . 0 0 "[ ]" 2 428 1 26 HIS HE1 1 31 ASN H . . 3.700 2.159 2.159 2.159 . 0 0 "[ ]" 2 429 1 26 HIS HE1 1 31 ASN HA . . 5.800 4.896 4.896 4.896 . 0 0 "[ ]" 2 430 1 26 HIS HE1 1 31 ASN HB2 . . 4.200 4.219 4.219 4.219 0.019 1 0 "[ ]" 2 431 1 26 HIS HE1 1 31 ASN HB3 . . 3.500 3.361 3.361 3.361 . 0 0 "[ ]" 2 432 1 26 HIS HE1 1 44 PRO HA . . 6.500 5.964 5.964 5.964 . 0 0 "[ ]" 2 433 1 26 HIS HE1 1 46 PHE HB2 . . 5.000 2.902 2.902 2.902 . 0 0 "[ ]" 2 434 1 26 HIS HE1 1 46 PHE HD1 . . 6.500 4.376 4.376 4.376 . 0 0 "[ ]" 2 435 1 26 HIS HE1 1 46 PHE HD2 . . 6.300 5.719 5.719 5.719 . 0 0 "[ ]" 2 436 1 28 THR H 1 29 GLY H . . 6.500 2.043 2.043 2.043 . 0 0 "[ ]" 2 437 1 28 THR HA 1 29 GLY H . . 3.300 3.237 3.237 3.237 . 0 0 "[ ]" 2 438 1 28 THR HA 1 29 GLY HA2 . . 5.400 4.300 4.300 4.300 . 0 0 "[ ]" 2 439 1 28 THR HB 1 29 GLY HA3 . . 5.100 4.829 4.829 4.829 . 0 0 "[ ]" 2 440 1 28 THR MG 1 29 GLY H . . 5.800 4.500 4.500 4.500 . 0 0 "[ ]" 2 441 1 28 THR MG 1 79 LYS HG2 . . 7.500 3.439 3.439 3.439 . 0 0 "[ ]" 2 442 1 28 THR MG 1 79 LYS QE . . 8.500 2.971 2.971 2.971 . 0 0 "[ ]" 2 443 1 28 THR MG 1 81 ILE H . . 7.500 4.981 4.981 4.981 . 0 0 "[ ]" 2 444 1 29 GLY H 1 30 PRO HA . . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 2 445 1 29 GLY H 1 30 PRO HB2 . . 6.400 6.602 6.602 6.602 0.202 1 0 "[ ]" 2 446 1 29 GLY H 1 30 PRO QG . . 5.900 5.620 5.620 5.620 . 0 0 "[ ]" 2 447 1 29 GLY H 1 30 PRO HD2 . . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 2 448 1 29 GLY H 1 30 PRO HD3 . . 6.300 4.283 4.283 4.283 . 0 0 "[ ]" 2 449 1 29 GLY H 1 31 ASN H . . 5.800 5.841 5.841 5.841 0.041 1 0 "[ ]" 2 450 1 29 GLY HA2 1 31 ASN H . . 6.100 6.193 6.193 6.193 0.093 1 0 "[ ]" 2 451 1 29 GLY HA2 1 46 PHE HE2 . . 4.700 4.387 4.387 4.387 . 0 0 "[ ]" 2 452 1 29 GLY HA2 1 46 PHE HZ . . 3.600 3.160 3.160 3.160 . 0 0 "[ ]" 2 453 1 29 GLY HA3 1 30 PRO HA . . 5.500 4.711 4.711 4.711 . 0 0 "[ ]" 2 454 1 29 GLY HA3 1 30 PRO QG . . 6.500 4.613 4.613 4.613 . 0 0 "[ ]" 2 455 1 29 GLY HA3 1 30 PRO HD2 . . 4.900 3.087 3.087 3.087 . 0 0 "[ ]" 2 456 1 29 GLY HA3 1 30 PRO HD3 . . 4.400 3.783 3.783 3.783 . 0 0 "[ ]" 2 457 1 29 GLY HA3 1 46 PHE HE1 . . 5.700 4.867 4.867 4.867 . 0 0 "[ ]" 2 458 1 29 GLY HA3 1 46 PHE HZ . . 4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 2 459 1 30 PRO HA 1 30 PRO QG . . 3.600 3.450 3.450 3.450 . 0 0 "[ ]" 2 460 1 30 PRO HA 1 31 ASN H . . 3.200 2.111 2.111 2.111 . 0 0 "[ ]" 2 461 1 30 PRO HA 1 43 ALA MB . . 6.600 4.281 4.281 4.281 . 0 0 "[ ]" 2 462 1 30 PRO HB3 1 31 ASN H . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 2 463 1 30 PRO HB3 1 46 PHE HD1 . . 6.500 3.814 3.814 3.814 . 0 0 "[ ]" 2 464 1 30 PRO HB2 1 31 ASN H . . 4.600 3.109 3.109 3.109 . 0 0 "[ ]" 2 465 1 30 PRO QG 1 46 PHE HD1 . . 5.500 5.304 5.304 5.304 . 0 0 "[ ]" 2 466 1 30 PRO QG 1 46 PHE HD2 . . 6.500 3.343 3.343 3.343 . 0 0 "[ ]" 2 467 1 30 PRO QG 1 46 PHE HE1 . . 6.500 5.474 5.474 5.474 . 0 0 "[ ]" 2 468 1 30 PRO QG 1 31 ASN H . . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 2 469 1 30 PRO QG 1 43 ALA MB . . 5.600 2.545 2.545 2.545 . 0 0 "[ ]" 2 470 1 30 PRO HD2 1 46 PHE HE1 . . 5.800 5.187 5.187 5.187 . 0 0 "[ ]" 2 471 1 30 PRO HD2 1 46 PHE HE2 . . 6.100 4.349 4.349 4.349 . 0 0 "[ ]" 2 472 1 30 PRO HD2 1 46 PHE HZ . . 5.200 4.403 4.403 4.403 . 0 0 "[ ]" 2 473 1 30 PRO HD3 1 31 ASN H . . 6.500 5.364 5.364 5.364 . 0 0 "[ ]" 2 474 1 30 PRO HD3 1 46 PHE HD1 . . 6.200 4.364 4.364 4.364 . 0 0 "[ ]" 2 475 1 30 PRO HD3 1 46 PHE HE1 . . 6.500 3.809 3.809 3.809 . 0 0 "[ ]" 2 476 1 30 PRO HD3 1 46 PHE HE2 . . 4.900 3.038 3.038 3.038 . 0 0 "[ ]" 2 477 1 30 PRO HD3 1 46 PHE HZ . . 4.300 3.174 3.174 3.174 . 0 0 "[ ]" 2 478 1 31 ASN H 1 31 ASN HB2 . . 3.600 2.584 2.584 2.584 . 0 0 "[ ]" 2 479 1 31 ASN H 1 31 ASN HB3 . . 3.400 2.370 2.370 2.370 . 0 0 "[ ]" 2 480 1 31 ASN H 1 32 LEU H . . 5.800 4.431 4.431 4.431 . 0 0 "[ ]" 2 481 1 31 ASN H 1 32 LEU MD2 . . 7.500 6.053 6.053 6.053 . 0 0 "[ ]" 2 482 1 31 ASN H 1 46 PHE HB2 . . 6.500 4.751 4.751 4.751 . 0 0 "[ ]" 2 483 1 31 ASN H 1 46 PHE HD1 . . 6.500 5.447 5.447 5.447 . 0 0 "[ ]" 2 484 1 31 ASN HA 1 32 LEU H . . 3.200 2.111 2.111 2.111 . 0 0 "[ ]" 2 485 1 31 ASN HB2 1 32 LEU H . . 5.700 4.360 4.360 4.360 . 0 0 "[ ]" 2 486 1 32 LEU H 1 32 LEU HG . . 4.200 2.462 2.462 2.462 . 0 0 "[ ]" 2 487 1 32 LEU H 1 33 HIS H . . 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 2 488 1 32 LEU HA 1 35 LEU MD1 . . 7.500 3.238 3.238 3.238 . 0 0 "[ ]" 2 489 1 32 LEU HA 1 35 LEU MD2 . . 7.500 4.834 4.834 4.834 . 0 0 "[ ]" 2 490 1 32 LEU QB 1 35 LEU MD2 . . 6.100 2.992 2.992 2.992 . 0 0 "[ ]" 2 491 1 32 LEU MD1 1 64 LEU MD2 . . 7.800 4.866 4.866 4.866 . 0 0 "[ ]" 2 492 1 32 LEU MD1 1 98 LEU MD1 . . 8.500 3.579 3.579 3.579 . 0 0 "[ ]" 2 493 1 32 LEU MD2 1 35 LEU MD1 . . 5.800 1.992 1.992 1.992 . 0 0 "[ ]" 2 494 1 32 LEU MD2 1 35 LEU MD2 . . 8.500 2.368 2.368 2.368 . 0 0 "[ ]" 2 495 1 33 HIS H 1 34 GLY HA3 . . 6.500 4.969 4.969 4.969 . 0 0 "[ ]" 2 496 1 34 GLY H 1 35 LEU H . . 4.400 3.566 3.566 3.566 . 0 0 "[ ]" 2 497 1 34 GLY HA2 1 35 LEU H . . 6.500 2.303 2.303 2.303 . 0 0 "[ ]" 2 498 1 34 GLY HA3 1 35 LEU H . . 4.900 3.507 3.507 3.507 . 0 0 "[ ]" 2 499 1 34 GLY HA3 1 102 THR MG . . 7.400 4.620 4.620 4.620 . 0 0 "[ ]" 2 500 1 35 LEU H 1 35 LEU HB2 . . 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 2 501 1 35 LEU H 1 35 LEU HB3 . . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 2 502 1 35 LEU H 1 35 LEU MD1 . . 5.200 3.773 3.773 3.773 . 0 0 "[ ]" 2 503 1 35 LEU H 1 36 PHE H . . 4.200 4.147 4.147 4.147 . 0 0 "[ ]" 2 504 1 35 LEU HA 1 35 LEU HB3 . . 2.900 2.920 2.920 2.920 0.020 1 0 "[ ]" 2 505 1 35 LEU HA 1 35 LEU MD1 . . 4.000 2.073 2.073 2.073 . 0 0 "[ ]" 2 506 1 35 LEU HA 1 35 LEU MD2 . . 4.700 3.766 3.766 3.766 . 0 0 "[ ]" 2 507 1 35 LEU HA 1 36 PHE H . . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 2 508 1 35 LEU HB2 1 36 PHE CG . . 6.100 4.371 4.371 4.371 . 0 0 "[ ]" 2 509 1 35 LEU HB2 1 36 PHE CZ . . 6.900 4.377 4.377 4.377 . 0 0 "[ ]" 2 510 1 35 LEU HB2 1 36 PHE HZ . . 4.800 4.864 4.864 4.864 0.064 1 0 "[ ]" 2 511 1 35 LEU HB3 1 36 PHE H . . 5.800 1.965 1.965 1.965 . 0 0 "[ ]" 2 512 1 35 LEU HB3 1 36 PHE CG . . 6.900 2.975 2.975 2.975 . 0 0 "[ ]" 2 513 1 35 LEU HB3 1 36 PHE CZ . . 6.600 3.392 3.392 3.392 . 0 0 "[ ]" 2 514 1 35 LEU HB3 1 36 PHE HZ . . 6.200 4.120 4.120 4.120 . 0 0 "[ ]" 2 515 1 35 LEU HG 1 36 PHE H . . 6.200 2.675 2.675 2.675 . 0 0 "[ ]" 2 516 1 35 LEU HG 1 36 PHE HA . . 4.800 4.807 4.807 4.807 0.007 1 0 "[ ]" 2 517 1 35 LEU HG 1 59 TRP HD1 . . 4.600 3.721 3.721 3.721 . 0 0 "[ ]" 2 518 1 35 LEU HG 1 64 LEU MD2 . . 7.500 4.095 4.095 4.095 . 0 0 "[ ]" 2 519 1 35 LEU HG 1 64 LEU MD1 . . 6.600 2.790 2.790 2.790 . 0 0 "[ ]" 2 520 1 35 LEU MD1 1 36 PHE H . . 6.800 3.974 3.974 3.974 . 0 0 "[ ]" 2 521 1 35 LEU MD1 1 36 PHE CG . . 9.400 5.692 5.692 5.692 . 0 0 "[ ]" 2 522 1 35 LEU MD1 1 40 THR HA . . 7.500 5.232 5.232 5.232 . 0 0 "[ ]" 2 523 1 35 LEU MD1 1 59 TRP HD1 . . 4.200 2.789 2.789 2.789 . 0 0 "[ ]" 2 524 1 35 LEU MD1 1 59 TRP HE3 . . 7.500 5.406 5.406 5.406 . 0 0 "[ ]" 2 525 1 35 LEU MD1 1 59 TRP HE1 . . 5.700 4.098 4.098 4.098 . 0 0 "[ ]" 2 526 1 35 LEU MD1 1 64 LEU MD1 . . 6.700 3.805 3.805 3.805 . 0 0 "[ ]" 2 527 1 35 LEU MD2 1 36 PHE H . . 6.300 3.428 3.428 3.428 . 0 0 "[ ]" 2 528 1 35 LEU MD2 1 36 PHE HA . . 7.100 5.135 5.135 5.135 . 0 0 "[ ]" 2 529 1 35 LEU MD2 1 36 PHE CG . . 7.000 4.254 4.254 4.254 . 0 0 "[ ]" 2 530 1 35 LEU MD2 1 59 TRP H . . 7.500 6.162 6.162 6.162 . 0 0 "[ ]" 2 531 1 35 LEU MD2 1 59 TRP HD1 . . 6.000 4.555 4.555 4.555 . 0 0 "[ ]" 2 532 1 35 LEU MD2 1 59 TRP HE3 . . 6.900 4.736 4.736 4.736 . 0 0 "[ ]" 2 533 1 35 LEU MD2 1 59 TRP HE1 . . 7.500 5.419 5.419 5.419 . 0 0 "[ ]" 2 534 1 35 LEU MD2 1 59 TRP HZ2 . . 7.500 6.270 6.270 6.270 . 0 0 "[ ]" 2 535 1 35 LEU MD2 1 64 LEU MD2 . . 5.700 2.389 2.389 2.389 . 0 0 "[ ]" 2 536 1 35 LEU MD2 1 64 LEU MD1 . . 5.600 1.997 1.997 1.997 . 0 0 "[ ]" 2 537 1 35 LEU MD2 1 98 LEU MD1 . . 6.100 3.673 3.673 3.673 . 0 0 "[ ]" 2 538 1 35 LEU MD2 1 102 THR H . . 7.500 5.876 5.876 5.876 . 0 0 "[ ]" 2 539 1 35 LEU MD2 1 102 THR HG1 . . 7.500 5.799 5.799 5.799 . 0 0 "[ ]" 2 540 1 36 PHE H 1 36 PHE HB2 . . 3.600 3.340 3.340 3.340 . 0 0 "[ ]" 2 541 1 36 PHE H 1 36 PHE HB3 . . 3.700 3.748 3.748 3.748 0.048 1 0 "[ ]" 2 542 1 36 PHE CZ 1 36 PHE H . . 6.600 4.251 4.251 4.251 . 0 0 "[ ]" 2 543 1 36 PHE H 1 37 GLY H . . 5.500 3.361 3.361 3.361 . 0 0 "[ ]" 2 544 1 36 PHE HA 1 37 GLY H . . 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 2 545 1 36 PHE HB2 1 37 GLY H . . 4.700 4.451 4.451 4.451 . 0 0 "[ ]" 2 546 1 36 PHE HB2 1 99 LYS HA . . 5.300 4.681 4.681 4.681 . 0 0 "[ ]" 2 547 1 36 PHE HB2 1 102 THR HG1 . . 5.900 3.862 3.862 3.862 . 0 0 "[ ]" 2 548 1 36 PHE HB3 1 37 GLY H . . 4.400 4.410 4.410 4.410 0.010 1 0 "[ ]" 2 549 1 36 PHE HB3 1 102 THR HG1 . . 6.500 5.527 5.527 5.527 . 0 0 "[ ]" 2 550 1 36 PHE CG 1 37 GLY H . . 7.700 5.057 5.057 5.057 . 0 0 "[ ]" 2 551 1 36 PHE CG 1 59 TRP H . . 8.500 7.607 7.607 7.607 . 0 0 "[ ]" 2 552 1 36 PHE CG 1 60 LYS HA . . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 2 553 1 36 PHE CG 1 60 LYS QB . . 9.500 5.919 5.919 5.919 . 0 0 "[ ]" 2 554 1 36 PHE CG 1 60 LYS QG . . 9.500 4.644 4.644 4.644 . 0 0 "[ ]" 2 555 1 36 PHE CG 1 61 GLU H . . 7.500 4.545 4.545 4.545 . 0 0 "[ ]" 2 556 1 36 PHE CG 1 61 GLU HA . . 7.000 5.698 5.698 5.698 . 0 0 "[ ]" 2 557 1 36 PHE CG 1 64 LEU MD2 . . 9.500 6.451 6.451 6.451 . 0 0 "[ ]" 2 558 1 36 PHE CG 1 64 LEU MD1 . . 8.200 4.196 4.196 4.196 . 0 0 "[ ]" 2 559 1 36 PHE CG 1 98 LEU HA . . 8.500 7.408 7.408 7.408 . 0 0 "[ ]" 2 560 1 36 PHE CG 1 98 LEU QB . . 8.400 5.331 5.331 5.331 . 0 0 "[ ]" 2 561 1 36 PHE CG 1 98 LEU MD1 . . 9.500 7.073 7.073 7.073 . 0 0 "[ ]" 2 562 1 36 PHE CG 1 99 LYS H . . 8.500 5.793 5.793 5.793 . 0 0 "[ ]" 2 563 1 36 PHE CG 1 99 LYS HA . . 6.300 3.908 3.908 3.908 . 0 0 "[ ]" 2 564 1 36 PHE CG 1 99 LYS QB . . 7.900 4.956 4.956 4.956 . 0 0 "[ ]" 2 565 1 36 PHE CG 1 99 LYS QG . . 9.500 3.024 3.024 3.024 . 0 0 "[ ]" 2 566 1 36 PHE CG 1 102 THR MG . . 9.500 4.584 4.584 4.584 . 0 0 "[ ]" 2 567 1 36 PHE CG 1 102 THR HG1 . . 7.800 4.945 4.945 4.945 . 0 0 "[ ]" 2 568 1 36 PHE CZ 1 37 GLY H . . 8.500 7.290 7.290 7.290 . 0 0 "[ ]" 2 569 1 36 PHE CZ 1 60 LYS HA . . 8.000 5.147 5.147 5.147 . 0 0 "[ ]" 2 570 1 36 PHE CZ 1 61 GLU H . . 7.000 5.046 5.046 5.046 . 0 0 "[ ]" 2 571 1 36 PHE CZ 1 61 GLU HA . . 6.400 4.675 4.675 4.675 . 0 0 "[ ]" 2 572 1 36 PHE CZ 1 61 GLU QB . . 9.500 4.169 4.169 4.169 . 0 0 "[ ]" 2 573 1 36 PHE CZ 1 62 GLU H . . 8.500 7.489 7.489 7.489 . 0 0 "[ ]" 2 574 1 36 PHE CZ 1 64 LEU MD2 . . 9.000 4.912 4.912 4.912 . 0 0 "[ ]" 2 575 1 36 PHE CZ 1 64 LEU MD1 . . 6.900 3.077 3.077 3.077 . 0 0 "[ ]" 2 576 1 36 PHE CZ 1 95 ILE HA . . 7.800 3.890 3.890 3.890 . 0 0 "[ ]" 2 577 1 36 PHE CZ 1 95 ILE HB . . 8.200 5.962 5.962 5.962 . 0 0 "[ ]" 2 578 1 36 PHE CZ 1 95 ILE MG . . 9.200 3.968 3.968 3.968 . 0 0 "[ ]" 2 579 1 36 PHE CZ 1 95 ILE MD . . 9.500 4.760 4.760 4.760 . 0 0 "[ ]" 2 580 1 36 PHE CZ 1 98 LEU H . . 8.000 5.553 5.553 5.553 . 0 0 "[ ]" 2 581 1 36 PHE CZ 1 98 LEU HA . . 7.500 5.601 5.601 5.601 . 0 0 "[ ]" 2 582 1 36 PHE CZ 1 98 LEU QB . . 5.800 3.271 3.271 3.271 . 0 0 "[ ]" 2 583 1 36 PHE CZ 1 98 LEU MD1 . . 7.700 4.857 4.857 4.857 . 0 0 "[ ]" 2 584 1 36 PHE CZ 1 98 LEU MD2 . . 7.900 5.064 5.064 5.064 . 0 0 "[ ]" 2 585 1 36 PHE CZ 1 99 LYS H . . 6.900 3.967 3.967 3.967 . 0 0 "[ ]" 2 586 1 36 PHE CZ 1 99 LYS HA . . 5.900 3.648 3.648 3.648 . 0 0 "[ ]" 2 587 1 36 PHE CZ 1 99 LYS QG . . 9.500 2.561 2.561 2.561 . 0 0 "[ ]" 2 588 1 36 PHE CZ 1 99 LYS QD . . 7.300 4.024 4.024 4.024 . 0 0 "[ ]" 2 589 1 36 PHE CZ 1 102 THR MG . . 9.500 4.244 4.244 4.244 . 0 0 "[ ]" 2 590 1 36 PHE HZ 1 60 LYS HA . . 6.500 5.939 5.939 5.939 . 0 0 "[ ]" 2 591 1 36 PHE HZ 1 61 GLU H . . 6.500 5.619 5.619 5.619 . 0 0 "[ ]" 2 592 1 36 PHE HZ 1 61 GLU HA . . 4.700 4.704 4.704 4.704 0.004 1 0 "[ ]" 2 593 1 36 PHE HZ 1 64 LEU MD2 . . 6.500 4.525 4.525 4.525 . 0 0 "[ ]" 2 594 1 36 PHE HZ 1 64 LEU MD1 . . 4.500 2.976 2.976 2.976 . 0 0 "[ ]" 2 595 1 36 PHE HZ 1 95 ILE HA . . 4.400 2.901 2.901 2.901 . 0 0 "[ ]" 2 596 1 36 PHE HZ 1 95 ILE HB . . 5.100 5.182 5.182 5.182 0.082 1 0 "[ ]" 2 597 1 36 PHE HZ 1 95 ILE MG . . 6.000 3.656 3.656 3.656 . 0 0 "[ ]" 2 598 1 36 PHE HZ 1 95 ILE QG . . 3.100 2.697 2.697 2.697 . 0 0 "[ ]" 2 599 1 36 PHE HZ 1 95 ILE MD . . 7.500 4.331 4.331 4.331 . 0 0 "[ ]" 2 600 1 36 PHE HZ 1 98 LEU HA . . 6.000 5.135 5.135 5.135 . 0 0 "[ ]" 2 601 1 36 PHE HZ 1 98 LEU QB . . 4.200 2.646 2.646 2.646 . 0 0 "[ ]" 2 602 1 36 PHE HZ 1 98 LEU MD1 . . 5.700 4.065 4.065 4.065 . 0 0 "[ ]" 2 603 1 36 PHE HZ 1 98 LEU MD2 . . 7.100 4.635 4.635 4.635 . 0 0 "[ ]" 2 604 1 36 PHE HZ 1 99 LYS HA . . 4.000 4.055 4.055 4.055 0.055 1 0 "[ ]" 2 605 1 36 PHE HZ 1 99 LYS QB . . 6.500 4.609 4.609 4.609 . 0 0 "[ ]" 2 606 1 36 PHE HZ 1 99 LYS QG . . 7.500 2.688 2.688 2.688 . 0 0 "[ ]" 2 607 1 36 PHE HZ 1 99 LYS QD . . 5.900 4.193 4.193 4.193 . 0 0 "[ ]" 2 608 1 37 GLY H 1 38 ARG H . . 3.900 2.721 2.721 2.721 . 0 0 "[ ]" 2 609 1 37 GLY H 1 58 THR MG . . 5.800 4.219 4.219 4.219 . 0 0 "[ ]" 2 610 1 37 GLY H 1 60 LYS HA . . 5.300 3.849 3.849 3.849 . 0 0 "[ ]" 2 611 1 37 GLY HA2 1 58 THR MG . . 6.100 3.964 3.964 3.964 . 0 0 "[ ]" 2 612 1 38 ARG H 1 38 ARG HB2 . . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 2 613 1 38 ARG H 1 38 ARG HB3 . . 3.900 3.579 3.579 3.579 . 0 0 "[ ]" 2 614 1 38 ARG HB2 1 59 TRP HD1 . . 5.100 4.842 4.842 4.842 . 0 0 "[ ]" 2 615 1 38 ARG HB3 1 40 THR H . . 6.400 6.240 6.240 6.240 . 0 0 "[ ]" 2 616 1 38 ARG HB3 1 59 TRP HD1 . . 5.300 4.685 4.685 4.685 . 0 0 "[ ]" 2 617 1 39 LYS H 1 58 THR HA . . 6.100 4.544 4.544 4.544 . 0 0 "[ ]" 2 618 1 39 LYS H 1 59 TRP H . . 4.500 4.521 4.521 4.521 0.021 1 0 "[ ]" 2 619 1 39 LYS HB2 1 40 THR H . . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 2 620 1 39 LYS HB3 1 40 THR H . . 4.100 2.439 2.439 2.439 . 0 0 "[ ]" 2 621 1 39 LYS QG 1 40 THR H . . 7.500 3.921 3.921 3.921 . 0 0 "[ ]" 2 622 1 40 THR H 1 40 THR MG . . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 2 623 1 40 THR H 1 41 GLY H . . 5.700 4.013 4.013 4.013 . 0 0 "[ ]" 2 624 1 40 THR H 1 56 GLY H . . 5.700 5.288 5.288 5.288 . 0 0 "[ ]" 2 625 1 40 THR H 1 57 ILE H . . 4.300 2.676 2.676 2.676 . 0 0 "[ ]" 2 626 1 40 THR H 1 57 ILE QG . . 6.500 3.614 3.614 3.614 . 0 0 "[ ]" 2 627 1 40 THR H 1 57 ILE MD . . 6.000 5.039 5.039 5.039 . 0 0 "[ ]" 2 628 1 40 THR H 1 59 TRP HB3 . . 6.500 6.504 6.504 6.504 0.004 1 0 "[ ]" 2 629 1 40 THR HA 1 41 GLY H . . 3.900 3.373 3.373 3.373 . 0 0 "[ ]" 2 630 1 40 THR HA 1 59 TRP HD1 . . 4.400 2.967 2.967 2.967 . 0 0 "[ ]" 2 631 1 40 THR HA 1 59 TRP HE3 . . 6.500 5.727 5.727 5.727 . 0 0 "[ ]" 2 632 1 40 THR HA 1 59 TRP HE1 . . 3.400 2.278 2.278 2.278 . 0 0 "[ ]" 2 633 1 40 THR HB 1 41 GLY H . . 5.200 1.966 1.966 1.966 . 0 0 "[ ]" 2 634 1 40 THR HB 1 56 GLY H . . 5.700 4.586 4.586 4.586 . 0 0 "[ ]" 2 635 1 40 THR HB 1 59 TRP HE1 . . 6.500 4.184 4.184 4.184 . 0 0 "[ ]" 2 636 1 40 THR MG 1 41 GLY H . . 6.600 3.637 3.637 3.637 . 0 0 "[ ]" 2 637 1 40 THR MG 1 41 GLY QA . . 5.900 4.873 4.873 4.873 . 0 0 "[ ]" 2 638 1 40 THR MG 1 55 LYS H . . 6.900 5.218 5.218 5.218 . 0 0 "[ ]" 2 639 1 40 THR MG 1 55 LYS HB2 . . 5.500 4.141 4.141 4.141 . 0 0 "[ ]" 2 640 1 40 THR MG 1 55 LYS QD . . 8.500 3.689 3.689 3.689 . 0 0 "[ ]" 2 641 1 40 THR MG 1 56 GLY H . . 5.500 3.731 3.731 3.731 . 0 0 "[ ]" 2 642 1 40 THR MG 1 59 TRP H . . 7.500 3.811 3.811 3.811 . 0 0 "[ ]" 2 643 1 40 THR MG 1 59 TRP HD1 . . 7.000 4.107 4.107 4.107 . 0 0 "[ ]" 2 644 1 40 THR MG 1 59 TRP HE3 . . 6.100 4.183 4.183 4.183 . 0 0 "[ ]" 2 645 1 40 THR MG 1 59 TRP HE1 . . 4.900 3.438 3.438 3.438 . 0 0 "[ ]" 2 646 1 40 THR MG 1 59 TRP HZ3 . . 7.100 4.462 4.462 4.462 . 0 0 "[ ]" 2 647 1 40 THR MG 1 59 TRP HH2 . . 6.300 4.000 4.000 4.000 . 0 0 "[ ]" 2 648 1 40 THR MG 1 74 TYR CG . . 9.500 6.139 6.139 6.139 . 0 0 "[ ]" 2 649 1 40 THR HG1 1 41 GLY H . . 6.200 2.292 2.292 2.292 . 0 0 "[ ]" 2 650 1 40 THR HG1 1 41 GLY QA . . 6.500 3.918 3.918 3.918 . 0 0 "[ ]" 2 651 1 40 THR HG1 1 56 GLY H . . 3.800 3.486 3.486 3.486 . 0 0 "[ ]" 2 652 1 40 THR HG1 1 57 ILE H . . 5.700 2.500 2.500 2.500 . 0 0 "[ ]" 2 653 1 40 THR HG1 1 59 TRP HE1 . . 6.500 5.831 5.831 5.831 . 0 0 "[ ]" 2 654 1 41 GLY H 1 42 GLN H . . 4.800 4.499 4.499 4.499 . 0 0 "[ ]" 2 655 1 41 GLY H 1 53 LYS HA . . 5.100 4.064 4.064 4.064 . 0 0 "[ ]" 2 656 1 41 GLY H 1 56 GLY H . . 5.500 5.277 5.277 5.277 . 0 0 "[ ]" 2 657 1 41 GLY H 1 59 TRP HD1 . . 6.500 6.142 6.142 6.142 . 0 0 "[ ]" 2 658 1 41 GLY H 1 59 TRP HE1 . . 4.800 4.817 4.817 4.817 0.017 1 0 "[ ]" 2 659 1 41 GLY QA 1 42 GLN H . . 3.700 2.064 2.064 2.064 . 0 0 "[ ]" 2 660 1 41 GLY QA 1 55 LYS H . . 4.600 4.623 4.623 4.623 0.023 1 0 "[ ]" 2 661 1 41 GLY QA 1 42 GLN QG . . 3.700 3.938 3.938 3.938 0.238 1 0 "[ ]" 2 662 1 41 GLY QA 1 53 LYS HA . . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 2 663 1 42 GLN H 1 42 GLN HB2 . . 4.400 3.517 3.517 3.517 . 0 0 "[ ]" 2 664 1 42 GLN H 1 42 GLN QG . . 4.000 3.748 3.748 3.748 . 0 0 "[ ]" 2 665 1 42 GLN H 1 43 ALA H . . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 2 666 1 42 GLN HA 1 43 ALA H . . 4.600 2.602 2.602 2.602 . 0 0 "[ ]" 2 667 1 42 GLN HA 1 43 ALA MB . . 7.200 4.361 4.361 4.361 . 0 0 "[ ]" 2 668 1 42 GLN HE21 1 53 LYS HA . . 6.500 6.253 6.253 6.253 . 0 0 "[ ]" 2 669 1 43 ALA H 1 43 ALA MB . . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 2 670 1 43 ALA MB 1 46 PHE H . . 5.200 3.658 3.658 3.658 . 0 0 "[ ]" 2 671 1 43 ALA MB 1 46 PHE HB2 . . 6.900 2.988 2.988 2.988 . 0 0 "[ ]" 2 672 1 43 ALA MB 1 46 PHE HD1 . . 7.500 4.743 4.743 4.743 . 0 0 "[ ]" 2 673 1 43 ALA MB 1 47 THR H . . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 2 674 1 44 PRO HB2 1 45 GLY H . . 5.500 4.115 4.115 4.115 . 0 0 "[ ]" 2 675 1 44 PRO HB3 1 45 GLY H . . 5.900 4.441 4.441 4.441 . 0 0 "[ ]" 2 676 1 45 GLY H 1 46 PHE H . . 5.500 2.880 2.880 2.880 . 0 0 "[ ]" 2 677 1 45 GLY HA2 1 46 PHE H . . 4.300 2.575 2.575 2.575 . 0 0 "[ ]" 2 678 1 45 GLY HA3 1 46 PHE H . . 5.900 3.609 3.609 3.609 . 0 0 "[ ]" 2 679 1 46 PHE H 1 46 PHE HB2 . . 3.500 3.344 3.344 3.344 . 0 0 "[ ]" 2 680 1 46 PHE H 1 46 PHE HB3 . . 3.600 2.801 2.801 2.801 . 0 0 "[ ]" 2 681 1 46 PHE H 1 47 THR HA . . 5.600 4.666 4.666 4.666 . 0 0 "[ ]" 2 682 1 46 PHE HA 1 47 THR H . . 3.700 2.479 2.479 2.479 . 0 0 "[ ]" 2 683 1 46 PHE HB2 1 47 THR H . . 5.800 3.740 3.740 3.740 . 0 0 "[ ]" 2 684 1 46 PHE HB2 1 48 TYR CG . . 8.100 7.072 7.072 7.072 . 0 0 "[ ]" 2 685 1 46 PHE HD1 1 47 THR HA . . 5.900 5.925 5.925 5.925 0.025 1 0 "[ ]" 2 686 1 46 PHE HD1 1 48 TYR HA . . 6.500 6.533 6.533 6.533 0.033 1 0 "[ ]" 2 687 1 46 PHE HD2 1 48 TYR H . . 6.400 3.058 3.058 3.058 . 0 0 "[ ]" 2 688 1 46 PHE HD2 1 48 TYR CG . . 7.400 3.800 3.800 3.800 . 0 0 "[ ]" 2 689 1 47 THR H 1 47 THR HB . . 3.800 2.768 2.768 2.768 . 0 0 "[ ]" 2 690 1 47 THR H 1 48 TYR H . . 5.300 3.476 3.476 3.476 . 0 0 "[ ]" 2 691 1 47 THR HA 1 48 TYR H . . 3.100 2.309 2.309 2.309 . 0 0 "[ ]" 2 692 1 47 THR HB 1 48 TYR H . . 5.100 4.489 4.489 4.489 . 0 0 "[ ]" 2 693 1 47 THR MG 1 48 TYR H . . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 2 694 1 48 TYR H 1 48 TYR HB2 . . 4.100 3.577 3.577 3.577 . 0 0 "[ ]" 2 695 1 48 TYR H 1 49 THR H . . 5.700 4.641 4.641 4.641 . 0 0 "[ ]" 2 696 1 48 TYR HA 1 49 THR H . . 3.600 2.459 2.459 2.459 . 0 0 "[ ]" 2 697 1 48 TYR HB2 1 49 THR H . . 4.500 2.515 2.515 2.515 . 0 0 "[ ]" 2 698 1 48 TYR HB2 1 53 LYS H . . 5.100 3.846 3.846 3.846 . 0 0 "[ ]" 2 699 1 48 TYR HB3 1 49 THR H . . 5.100 3.685 3.685 3.685 . 0 0 "[ ]" 2 700 1 48 TYR CG 1 52 ASN HB3 . . 6.400 3.803 3.803 3.803 . 0 0 "[ ]" 2 701 1 48 TYR CG 1 53 LYS HA . . 8.500 4.770 4.770 4.770 . 0 0 "[ ]" 2 702 1 49 THR H 1 50 ASP H . . 6.200 4.674 4.674 4.674 . 0 0 "[ ]" 2 703 1 49 THR H 1 52 ASN H . . 5.200 3.874 3.874 3.874 . 0 0 "[ ]" 2 704 1 49 THR H 1 52 ASN HB2 . . 4.500 4.317 4.317 4.317 . 0 0 "[ ]" 2 705 1 49 THR H 1 52 ASN HB3 . . 3.500 3.744 3.744 3.744 0.244 1 0 "[ ]" 2 706 1 49 THR HA 1 50 ASP H . . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 2 707 1 49 THR HB 1 50 ASP H . . 4.000 2.704 2.704 2.704 . 0 0 "[ ]" 2 708 1 49 THR MG 1 50 ASP H . . 6.200 3.927 3.927 3.927 . 0 0 "[ ]" 2 709 1 49 THR MG 1 52 ASN H . . 6.700 4.585 4.585 4.585 . 0 0 "[ ]" 2 710 1 49 THR MG 1 78 THR H . . 7.500 5.071 5.071 5.071 . 0 0 "[ ]" 2 711 1 49 THR MG 1 78 THR HA . . 5.300 2.933 2.933 2.933 . 0 0 "[ ]" 2 712 1 49 THR MG 1 78 THR HB . . 7.500 5.342 5.342 5.342 . 0 0 "[ ]" 2 713 1 49 THR MG 1 79 LYS H . . 5.300 2.489 2.489 2.489 . 0 0 "[ ]" 2 714 1 49 THR MG 1 79 LYS QE . . 7.700 4.318 4.318 4.318 . 0 0 "[ ]" 2 715 1 49 THR MG 1 80 MET H . . 7.500 4.816 4.816 4.816 . 0 0 "[ ]" 2 716 1 50 ASP H 1 51 ALA H . . 4.000 2.972 2.972 2.972 . 0 0 "[ ]" 2 717 1 50 ASP HA 1 51 ALA H . . 5.600 3.506 3.506 3.506 . 0 0 "[ ]" 2 718 1 50 ASP HA 1 52 ASN H . . 5.100 4.403 4.403 4.403 . 0 0 "[ ]" 2 719 1 50 ASP HA 1 53 LYS H . . 3.800 3.104 3.104 3.104 . 0 0 "[ ]" 2 720 1 50 ASP HA 1 53 LYS HA . . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 2 721 1 50 ASP HA 1 53 LYS QB . . 4.600 1.917 1.917 1.917 . 0 0 "[ ]" 2 722 1 50 ASP HA 1 53 LYS QG . . 6.200 3.701 3.701 3.701 . 0 0 "[ ]" 2 723 1 50 ASP HA 1 53 LYS QD . . 5.500 2.261 2.261 2.261 . 0 0 "[ ]" 2 724 1 50 ASP HA 1 53 LYS QE . . 5.700 4.391 4.391 4.391 . 0 0 "[ ]" 2 725 1 50 ASP HA 1 54 ASN H . . 4.600 3.707 3.707 3.707 . 0 0 "[ ]" 2 726 1 50 ASP HA 1 54 ASN HD21 . . 6.100 3.753 3.753 3.753 . 0 0 "[ ]" 2 727 1 50 ASP QB 1 51 ALA H . . 4.900 3.228 3.228 3.228 . 0 0 "[ ]" 2 728 1 50 ASP QB 1 51 ALA HA . . 6.200 4.174 4.174 4.174 . 0 0 "[ ]" 2 729 1 50 ASP QB 1 52 ASN H . . 7.500 5.219 5.219 5.219 . 0 0 "[ ]" 2 730 1 50 ASP QB 1 54 ASN HD21 . . 6.000 2.693 2.693 2.693 . 0 0 "[ ]" 2 731 1 50 ASP QB 1 54 ASN HD22 . . 6.300 3.064 3.064 3.064 . 0 0 "[ ]" 2 732 1 51 ALA H 1 51 ALA MB . . 3.300 2.247 2.247 2.247 . 0 0 "[ ]" 2 733 1 51 ALA H 1 52 ASN H . . 4.100 2.778 2.778 2.778 . 0 0 "[ ]" 2 734 1 51 ALA HA 1 52 ASN H . . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 2 735 1 51 ALA HA 1 54 ASN H . . 3.900 3.627 3.627 3.627 . 0 0 "[ ]" 2 736 1 51 ALA HA 1 54 ASN HB2 . . 4.900 2.949 2.949 2.949 . 0 0 "[ ]" 2 737 1 51 ALA HA 1 54 ASN HB3 . . 6.500 4.558 4.558 4.558 . 0 0 "[ ]" 2 738 1 51 ALA HA 1 54 ASN HD21 . . 6.500 3.346 3.346 3.346 . 0 0 "[ ]" 2 739 1 51 ALA HA 1 55 LYS H . . 5.700 4.906 4.906 4.906 . 0 0 "[ ]" 2 740 1 51 ALA HA 1 75 ILE MG . . 5.200 3.938 3.938 3.938 . 0 0 "[ ]" 2 741 1 51 ALA MB 1 52 ASN H . . 3.400 2.447 2.447 2.447 . 0 0 "[ ]" 2 742 1 51 ALA MB 1 52 ASN HB2 . . 5.600 4.040 4.040 4.040 . 0 0 "[ ]" 2 743 1 51 ALA MB 1 78 THR H . . 7.200 3.970 3.970 3.970 . 0 0 "[ ]" 2 744 1 51 ALA MB 1 78 THR HA . . 6.500 2.768 2.768 2.768 . 0 0 "[ ]" 2 745 1 51 ALA MB 1 78 THR HB . . 7.000 3.196 3.196 3.196 . 0 0 "[ ]" 2 746 1 52 ASN H 1 52 ASN HB2 . . 3.600 2.647 2.647 2.647 . 0 0 "[ ]" 2 747 1 52 ASN H 1 52 ASN HB3 . . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 2 748 1 52 ASN H 1 53 LYS H . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 2 749 1 52 ASN H 1 53 LYS QB . . 7.300 4.129 4.129 4.129 . 0 0 "[ ]" 2 750 1 52 ASN H 1 53 LYS QD . . 7.500 5.825 5.825 5.825 . 0 0 "[ ]" 2 751 1 52 ASN H 1 54 ASN HB2 . . 5.900 5.210 5.210 5.210 . 0 0 "[ ]" 2 752 1 52 ASN H 1 75 ILE MG . . 6.600 3.519 3.519 3.519 . 0 0 "[ ]" 2 753 1 52 ASN HB2 1 53 LYS H . . 4.300 3.922 3.922 3.922 . 0 0 "[ ]" 2 754 1 52 ASN HB3 1 53 LYS H . . 4.300 2.665 2.665 2.665 . 0 0 "[ ]" 2 755 1 53 LYS H 1 53 LYS QD . . 5.100 4.050 4.050 4.050 . 0 0 "[ ]" 2 756 1 53 LYS H 1 54 ASN H . . 3.800 2.941 2.941 2.941 . 0 0 "[ ]" 2 757 1 53 LYS H 1 55 LYS H . . 5.700 4.148 4.148 4.148 . 0 0 "[ ]" 2 758 1 53 LYS HA 1 53 LYS QD . . 5.100 3.986 3.986 3.986 . 0 0 "[ ]" 2 759 1 53 LYS HA 1 53 LYS QE . . 6.300 4.923 4.923 4.923 . 0 0 "[ ]" 2 760 1 53 LYS QB 1 54 ASN H . . 5.500 2.307 2.307 2.307 . 0 0 "[ ]" 2 761 1 54 ASN H 1 54 ASN HB2 . . 3.700 2.262 2.262 2.262 . 0 0 "[ ]" 2 762 1 54 ASN H 1 54 ASN HB3 . . 4.000 3.539 3.539 3.539 . 0 0 "[ ]" 2 763 1 54 ASN H 1 55 LYS H . . 3.700 2.719 2.719 2.719 . 0 0 "[ ]" 2 764 1 54 ASN H 1 55 LYS HB2 . . 4.500 4.803 4.803 4.803 0.303 1 0 "[ ]" 2 765 1 54 ASN HB2 1 55 LYS H . . 3.900 3.146 3.146 3.146 . 0 0 "[ ]" 2 766 1 54 ASN HB2 1 55 LYS HA . . 6.500 4.841 4.841 4.841 . 0 0 "[ ]" 2 767 1 54 ASN HB3 1 55 LYS H . . 3.900 3.608 3.608 3.608 . 0 0 "[ ]" 2 768 1 55 LYS H 1 55 LYS HB2 . . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 2 769 1 55 LYS H 1 55 LYS QE . . 7.400 4.287 4.287 4.287 . 0 0 "[ ]" 2 770 1 55 LYS H 1 56 GLY H . . 4.600 4.548 4.548 4.548 . 0 0 "[ ]" 2 771 1 55 LYS H 1 56 GLY HA2 . . 5.900 5.381 5.381 5.381 . 0 0 "[ ]" 2 772 1 55 LYS H 1 57 ILE QG . . 6.500 6.288 6.288 6.288 . 0 0 "[ ]" 2 773 1 55 LYS HA 1 56 GLY H . . 5.900 2.199 2.199 2.199 . 0 0 "[ ]" 2 774 1 55 LYS HA 1 57 ILE H . . 4.700 4.711 4.711 4.711 0.011 1 0 "[ ]" 2 775 1 55 LYS HA 1 57 ILE MG . . 7.400 4.422 4.422 4.422 . 0 0 "[ ]" 2 776 1 55 LYS HB2 1 56 GLY H . . 4.500 4.404 4.404 4.404 . 0 0 "[ ]" 2 777 1 55 LYS HB2 1 57 ILE MD . . 7.500 6.017 6.017 6.017 . 0 0 "[ ]" 2 778 1 55 LYS QG 1 74 TYR CZ . . 8.300 4.039 4.039 4.039 . 0 0 "[ ]" 2 779 1 55 LYS QE 1 74 TYR CG . . 9.500 5.802 5.802 5.802 . 0 0 "[ ]" 2 780 1 56 GLY H 1 57 ILE H . . 4.200 2.902 2.902 2.902 . 0 0 "[ ]" 2 781 1 56 GLY H 1 57 ILE MD . . 7.500 4.755 4.755 4.755 . 0 0 "[ ]" 2 782 1 56 GLY HA2 1 57 ILE H . . 6.200 2.555 2.555 2.555 . 0 0 "[ ]" 2 783 1 56 GLY HA2 1 57 ILE QG . . 4.400 4.457 4.457 4.457 0.057 1 0 "[ ]" 2 784 1 57 ILE H 1 57 ILE HB . . 4.300 3.877 3.877 3.877 . 0 0 "[ ]" 2 785 1 57 ILE H 1 57 ILE MG . . 4.200 3.209 3.209 3.209 . 0 0 "[ ]" 2 786 1 57 ILE H 1 57 ILE QG . . 4.000 2.353 2.353 2.353 . 0 0 "[ ]" 2 787 1 57 ILE H 1 57 ILE MD . . 5.700 4.021 4.021 4.021 . 0 0 "[ ]" 2 788 1 57 ILE H 1 58 THR H . . 6.500 4.362 4.362 4.362 . 0 0 "[ ]" 2 789 1 57 ILE HA 1 58 THR H . . 3.700 2.644 2.644 2.644 . 0 0 "[ ]" 2 790 1 57 ILE HB 1 58 THR H . . 3.300 2.121 2.121 2.121 . 0 0 "[ ]" 2 791 1 57 ILE HB 1 74 TYR CZ . . 7.300 6.616 6.616 6.616 . 0 0 "[ ]" 2 792 1 57 ILE MG 1 58 THR H . . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 2 793 1 57 ILE MG 1 74 TYR CZ . . 8.000 5.261 5.261 5.261 . 0 0 "[ ]" 2 794 1 57 ILE QG 1 58 THR H . . 5.700 3.438 3.438 3.438 . 0 0 "[ ]" 2 795 1 57 ILE QG 1 74 TYR CZ . . 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 2 796 1 57 ILE MD 1 58 THR H . . 5.700 3.285 3.285 3.285 . 0 0 "[ ]" 2 797 1 57 ILE MD 1 58 THR HA . . 7.400 4.845 4.845 4.845 . 0 0 "[ ]" 2 798 1 57 ILE MD 1 58 THR MG . . 8.100 3.463 3.463 3.463 . 0 0 "[ ]" 2 799 1 57 ILE MD 1 59 TRP H . . 7.500 5.091 5.091 5.091 . 0 0 "[ ]" 2 800 1 57 ILE MD 1 59 TRP HB2 . . 7.500 6.257 6.257 6.257 . 0 0 "[ ]" 2 801 1 57 ILE MD 1 63 THR HA . . 7.500 4.744 4.744 4.744 . 0 0 "[ ]" 2 802 1 57 ILE MD 1 63 THR HB . . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 2 803 1 57 ILE MD 1 63 THR MG . . 5.500 2.056 2.056 2.056 . 0 0 "[ ]" 2 804 1 57 ILE MD 1 74 TYR CG . . 9.300 5.396 5.396 5.396 . 0 0 "[ ]" 2 805 1 57 ILE MD 1 74 TYR CZ . . 6.800 3.219 3.219 3.219 . 0 0 "[ ]" 2 806 1 58 THR H 1 58 THR HB . . 3.400 2.742 2.742 2.742 . 0 0 "[ ]" 2 807 1 58 THR H 1 63 THR MG . . 6.400 5.356 5.356 5.356 . 0 0 "[ ]" 2 808 1 58 THR HA 1 59 TRP H . . 3.600 2.237 2.237 2.237 . 0 0 "[ ]" 2 809 1 58 THR MG 1 59 TRP H . . 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 2 810 1 58 THR MG 1 60 LYS HA . . 7.500 4.704 4.704 4.704 . 0 0 "[ ]" 2 811 1 58 THR MG 1 60 LYS QB . . 8.500 2.453 2.453 2.453 . 0 0 "[ ]" 2 812 1 58 THR HG1 1 60 LYS QB . . 7.300 3.291 3.291 3.291 . 0 0 "[ ]" 2 813 1 58 THR HG1 1 60 LYS QG . . 6.000 2.682 2.682 2.682 . 0 0 "[ ]" 2 814 1 58 THR HG1 1 60 LYS QE . . 7.500 4.451 4.451 4.451 . 0 0 "[ ]" 2 815 1 59 TRP H 1 59 TRP HB2 . . 4.100 2.341 2.341 2.341 . 0 0 "[ ]" 2 816 1 59 TRP H 1 59 TRP HB3 . . 4.300 3.581 3.581 3.581 . 0 0 "[ ]" 2 817 1 59 TRP H 1 59 TRP HD1 . . 4.900 3.900 3.900 3.900 . 0 0 "[ ]" 2 818 1 59 TRP H 1 64 LEU MD2 . . 7.500 7.089 7.089 7.089 . 0 0 "[ ]" 2 819 1 59 TRP HB2 1 59 TRP HZ3 . . 6.500 6.554 6.554 6.554 0.054 1 0 "[ ]" 2 820 1 59 TRP HB2 1 64 LEU MD2 . . 6.600 5.486 5.486 5.486 . 0 0 "[ ]" 2 821 1 59 TRP HB2 1 64 LEU MD1 . . 7.400 4.193 4.193 4.193 . 0 0 "[ ]" 2 822 1 59 TRP HE3 1 60 LYS H . . 5.400 2.548 2.548 2.548 . 0 0 "[ ]" 2 823 1 59 TRP HE3 1 63 THR HB . . 6.500 2.344 2.344 2.344 . 0 0 "[ ]" 2 824 1 59 TRP HE3 1 63 THR MG . . 7.500 3.071 3.071 3.071 . 0 0 "[ ]" 2 825 1 59 TRP HE3 1 64 LEU H . . 4.000 3.695 3.695 3.695 . 0 0 "[ ]" 2 826 1 59 TRP HE3 1 64 LEU HA . . 4.700 3.824 3.824 3.824 . 0 0 "[ ]" 2 827 1 59 TRP HE3 1 64 LEU QB . . 5.600 4.386 4.386 4.386 . 0 0 "[ ]" 2 828 1 59 TRP HE3 1 64 LEU HG . . 3.300 2.407 2.407 2.407 . 0 0 "[ ]" 2 829 1 59 TRP HE3 1 64 LEU MD2 . . 4.500 3.735 3.735 3.735 . 0 0 "[ ]" 2 830 1 59 TRP HE3 1 64 LEU MD1 . . 5.000 3.318 3.318 3.318 . 0 0 "[ ]" 2 831 1 59 TRP HE3 1 67 TYR HB2 . . 5.800 4.929 4.929 4.929 . 0 0 "[ ]" 2 832 1 59 TRP HE3 1 74 TYR CG . . 8.500 7.699 7.699 7.699 . 0 0 "[ ]" 2 833 1 59 TRP HE1 1 64 LEU MD2 . . 7.500 5.671 5.671 5.671 . 0 0 "[ ]" 2 834 1 59 TRP HE1 1 64 LEU MD1 . . 7.500 6.171 6.171 6.171 . 0 0 "[ ]" 2 835 1 59 TRP HZ3 1 63 THR HB . . 5.400 3.107 3.107 3.107 . 0 0 "[ ]" 2 836 1 59 TRP HZ3 1 63 THR MG . . 7.500 2.409 2.409 2.409 . 0 0 "[ ]" 2 837 1 59 TRP HZ3 1 64 LEU H . . 5.900 4.183 4.183 4.183 . 0 0 "[ ]" 2 838 1 59 TRP HZ3 1 64 LEU HA . . 3.800 3.016 3.016 3.016 . 0 0 "[ ]" 2 839 1 59 TRP HZ3 1 64 LEU QB . . 6.400 4.782 4.782 4.782 . 0 0 "[ ]" 2 840 1 59 TRP HZ3 1 64 LEU HG . . 4.600 3.269 3.269 3.269 . 0 0 "[ ]" 2 841 1 59 TRP HZ3 1 64 LEU MD2 . . 4.700 3.863 3.863 3.863 . 0 0 "[ ]" 2 842 1 59 TRP HZ3 1 64 LEU MD1 . . 6.400 4.713 4.713 4.713 . 0 0 "[ ]" 2 843 1 59 TRP HZ3 1 67 TYR H . . 4.400 4.172 4.172 4.172 . 0 0 "[ ]" 2 844 1 59 TRP HZ3 1 67 TYR HA . . 5.200 5.045 5.045 5.045 . 0 0 "[ ]" 2 845 1 59 TRP HZ3 1 67 TYR HB2 . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 2 846 1 59 TRP HZ3 1 67 TYR HB3 . . 3.900 3.217 3.217 3.217 . 0 0 "[ ]" 2 847 1 59 TRP HZ3 1 68 LEU H . . 6.000 5.963 5.963 5.963 . 0 0 "[ ]" 2 848 1 59 TRP HZ3 1 68 LEU HG . . 6.500 5.970 5.970 5.970 . 0 0 "[ ]" 2 849 1 59 TRP HZ3 1 68 LEU MD2 . . 7.500 6.015 6.015 6.015 . 0 0 "[ ]" 2 850 1 59 TRP HZ3 1 74 TYR CG . . 7.600 5.553 5.553 5.553 . 0 0 "[ ]" 2 851 1 59 TRP HZ3 1 74 TYR CZ . . 6.800 5.588 5.588 5.588 . 0 0 "[ ]" 2 852 1 59 TRP HZ2 1 64 LEU MD2 . . 7.500 5.238 5.238 5.238 . 0 0 "[ ]" 2 853 1 59 TRP HZ2 1 75 ILE MD . . 6.400 2.888 2.888 2.888 . 0 0 "[ ]" 2 854 1 59 TRP HH2 1 64 LEU HA . . 5.300 4.877 4.877 4.877 . 0 0 "[ ]" 2 855 1 59 TRP HH2 1 64 LEU MD2 . . 6.400 4.708 4.708 4.708 . 0 0 "[ ]" 2 856 1 59 TRP HH2 1 67 TYR H . . 5.900 5.419 5.419 5.419 . 0 0 "[ ]" 2 857 1 59 TRP HH2 1 67 TYR HA . . 6.200 4.904 4.904 4.904 . 0 0 "[ ]" 2 858 1 59 TRP HH2 1 67 TYR HB2 . . 4.200 3.115 3.115 3.115 . 0 0 "[ ]" 2 859 1 59 TRP HH2 1 67 TYR HB3 . . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 2 860 1 59 TRP HH2 1 68 LEU MD2 . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2 861 1 59 TRP HH2 1 74 TYR CG . . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 2 862 1 59 TRP HH2 1 74 TYR CZ . . 6.800 5.704 5.704 5.704 . 0 0 "[ ]" 2 863 1 59 TRP HH2 1 75 ILE MG . . 7.500 5.539 5.539 5.539 . 0 0 "[ ]" 2 864 1 59 TRP HH2 1 75 ILE MD . . 5.100 2.887 2.887 2.887 . 0 0 "[ ]" 2 865 1 60 LYS H 1 61 GLU H . . 6.500 4.245 4.245 4.245 . 0 0 "[ ]" 2 866 1 60 LYS H 1 61 GLU HA . . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 2 867 1 60 LYS H 1 62 GLU HG2 . . 6.100 5.451 5.451 5.451 . 0 0 "[ ]" 2 868 1 60 LYS H 1 63 THR H . . 4.900 3.594 3.594 3.594 . 0 0 "[ ]" 2 869 1 60 LYS H 1 64 LEU H . . 4.100 3.396 3.396 3.396 . 0 0 "[ ]" 2 870 1 60 LYS HA 1 60 LYS QE . . 5.400 4.630 4.630 4.630 . 0 0 "[ ]" 2 871 1 60 LYS HA 1 61 GLU H . . 3.600 2.400 2.400 2.400 . 0 0 "[ ]" 2 872 1 60 LYS HA 1 61 GLU HA . . 4.500 4.272 4.272 4.272 . 0 0 "[ ]" 2 873 1 60 LYS HA 1 61 GLU QB . . 5.900 4.439 4.439 4.439 . 0 0 "[ ]" 2 874 1 60 LYS HA 1 61 GLU QG . . 6.700 4.158 4.158 4.158 . 0 0 "[ ]" 2 875 1 60 LYS HA 1 62 GLU H . . 5.300 4.531 4.531 4.531 . 0 0 "[ ]" 2 876 1 60 LYS HA 1 63 THR H . . 5.500 4.829 4.829 4.829 . 0 0 "[ ]" 2 877 1 60 LYS HA 1 64 LEU MD2 . . 7.500 5.978 5.978 5.978 . 0 0 "[ ]" 2 878 1 60 LYS HA 1 64 LEU MD1 . . 6.200 3.329 3.329 3.329 . 0 0 "[ ]" 2 879 1 60 LYS QB 1 61 GLU H . . 4.500 2.833 2.833 2.833 . 0 0 "[ ]" 2 880 1 60 LYS QB 1 62 GLU H . . 4.400 2.815 2.815 2.815 . 0 0 "[ ]" 2 881 1 60 LYS QB 1 63 THR H . . 4.900 2.885 2.885 2.885 . 0 0 "[ ]" 2 882 1 60 LYS QG 1 61 GLU H . . 6.300 2.857 2.857 2.857 . 0 0 "[ ]" 2 883 1 60 LYS QG 1 62 GLU H . . 5.300 4.296 4.296 4.296 . 0 0 "[ ]" 2 884 1 60 LYS QG 1 62 GLU HG3 . . 5.600 4.275 4.275 4.275 . 0 0 "[ ]" 2 885 1 60 LYS QG 1 63 THR H . . 6.300 5.033 5.033 5.033 . 0 0 "[ ]" 2 886 1 60 LYS QG 1 64 LEU H . . 6.700 6.026 6.026 6.026 . 0 0 "[ ]" 2 887 1 60 LYS QD 1 61 GLU H . . 6.700 3.718 3.718 3.718 . 0 0 "[ ]" 2 888 1 60 LYS QD 1 62 GLU H . . 6.300 3.592 3.592 3.592 . 0 0 "[ ]" 2 889 1 60 LYS QD 1 62 GLU HG3 . . 6.000 2.871 2.871 2.871 . 0 0 "[ ]" 2 890 1 60 LYS QD 1 63 THR H . . 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 2 891 1 61 GLU H 1 62 GLU H . . 4.100 2.796 2.796 2.796 . 0 0 "[ ]" 2 892 1 61 GLU H 1 62 GLU HA . . 6.500 5.413 5.413 5.413 . 0 0 "[ ]" 2 893 1 61 GLU H 1 62 GLU HG2 . . 3.700 3.715 3.715 3.715 0.015 1 0 "[ ]" 2 894 1 61 GLU H 1 63 THR H . . 5.800 4.511 4.511 4.511 . 0 0 "[ ]" 2 895 1 61 GLU H 1 64 LEU H . . 6.400 4.669 4.669 4.669 . 0 0 "[ ]" 2 896 1 61 GLU H 1 64 LEU QB . . 5.400 4.452 4.452 4.452 . 0 0 "[ ]" 2 897 1 61 GLU H 1 64 LEU MD2 . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2 898 1 61 GLU H 1 64 LEU MD1 . . 7.200 3.620 3.620 3.620 . 0 0 "[ ]" 2 899 1 61 GLU H 1 65 MET H . . 6.500 6.105 6.105 6.105 . 0 0 "[ ]" 2 900 1 61 GLU H 1 95 ILE QG . . 5.100 4.687 4.687 4.687 . 0 0 "[ ]" 2 901 1 61 GLU H 1 99 LYS QD . . 7.500 4.342 4.342 4.342 . 0 0 "[ ]" 2 902 1 61 GLU HA 1 62 GLU H . . 4.100 3.520 3.520 3.520 . 0 0 "[ ]" 2 903 1 61 GLU HA 1 63 THR H . . 4.600 4.546 4.546 4.546 . 0 0 "[ ]" 2 904 1 61 GLU HA 1 64 LEU H . . 4.500 3.267 3.267 3.267 . 0 0 "[ ]" 2 905 1 61 GLU HA 1 64 LEU QB . . 2.900 2.171 2.171 2.171 . 0 0 "[ ]" 2 906 1 61 GLU HA 1 64 LEU HG . . 6.500 4.446 4.446 4.446 . 0 0 "[ ]" 2 907 1 61 GLU HA 1 64 LEU MD2 . . 6.000 4.621 4.621 4.621 . 0 0 "[ ]" 2 908 1 61 GLU HA 1 95 ILE QG . . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 2 909 1 61 GLU HA 1 95 ILE MD . . 6.300 2.275 2.275 2.275 . 0 0 "[ ]" 2 910 1 61 GLU QB 1 62 GLU H . . 5.000 3.363 3.363 3.363 . 0 0 "[ ]" 2 911 1 61 GLU QB 1 99 LYS QG . . 8.100 3.524 3.524 3.524 . 0 0 "[ ]" 2 912 1 61 GLU QG 1 62 GLU H . . 6.400 2.197 2.197 2.197 . 0 0 "[ ]" 2 913 1 61 GLU QG 1 95 ILE QG . . 5.100 4.769 4.769 4.769 . 0 0 "[ ]" 2 914 1 61 GLU QG 1 95 ILE MD . . 8.500 3.987 3.987 3.987 . 0 0 "[ ]" 2 915 1 62 GLU H 1 62 GLU HB3 . . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 2 916 1 62 GLU H 1 62 GLU HG2 . . 4.700 1.935 1.935 1.935 . 0 0 "[ ]" 2 917 1 62 GLU H 1 62 GLU HG3 . . 4.500 2.937 2.937 2.937 . 0 0 "[ ]" 2 918 1 62 GLU H 1 63 THR H . . 3.800 3.123 3.123 3.123 . 0 0 "[ ]" 2 919 1 62 GLU H 1 64 LEU H . . 4.900 4.227 4.227 4.227 . 0 0 "[ ]" 2 920 1 62 GLU H 1 65 MET H . . 5.100 4.870 4.870 4.870 . 0 0 "[ ]" 2 921 1 62 GLU HA 1 62 GLU HB2 . . 3.100 2.613 2.613 2.613 . 0 0 "[ ]" 2 922 1 62 GLU HA 1 63 THR H . . 4.600 3.616 3.616 3.616 . 0 0 "[ ]" 2 923 1 62 GLU HA 1 64 LEU H . . 4.600 4.619 4.619 4.619 0.019 1 0 "[ ]" 2 924 1 62 GLU HA 1 65 MET H . . 4.500 3.855 3.855 3.855 . 0 0 "[ ]" 2 925 1 62 GLU HA 1 66 GLU H . . 5.900 5.065 5.065 5.065 . 0 0 "[ ]" 2 926 1 62 GLU HB2 1 63 THR H . . 3.800 3.323 3.323 3.323 . 0 0 "[ ]" 2 927 1 62 GLU HB3 1 63 THR H . . 4.500 4.122 4.122 4.122 . 0 0 "[ ]" 2 928 1 62 GLU HG2 1 63 THR H . . 4.800 3.385 3.385 3.385 . 0 0 "[ ]" 2 929 1 62 GLU HG2 1 64 LEU H . . 6.500 5.388 5.388 5.388 . 0 0 "[ ]" 2 930 1 62 GLU HG3 1 63 THR H . . 5.000 2.300 2.300 2.300 . 0 0 "[ ]" 2 931 1 62 GLU HG3 1 63 THR MG . . 6.100 4.753 4.753 4.753 . 0 0 "[ ]" 2 932 1 63 THR H 1 63 THR MG . . 4.800 3.625 3.625 3.625 . 0 0 "[ ]" 2 933 1 63 THR H 1 64 LEU H . . 3.600 2.637 2.637 2.637 . 0 0 "[ ]" 2 934 1 63 THR H 1 64 LEU QB . . 6.100 4.408 4.408 4.408 . 0 0 "[ ]" 2 935 1 63 THR H 1 64 LEU MD2 . . 7.500 6.173 6.173 6.173 . 0 0 "[ ]" 2 936 1 63 THR H 1 64 LEU MD1 . . 7.500 4.663 4.663 4.663 . 0 0 "[ ]" 2 937 1 63 THR H 1 65 MET H . . 4.400 4.368 4.368 4.368 . 0 0 "[ ]" 2 938 1 63 THR HA 1 64 LEU H . . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 2 939 1 63 THR HA 1 64 LEU MD2 . . 7.500 6.402 6.402 6.402 . 0 0 "[ ]" 2 940 1 63 THR HA 1 65 MET H . . 5.800 4.487 4.487 4.487 . 0 0 "[ ]" 2 941 1 63 THR HA 1 66 GLU H . . 4.200 3.834 3.834 3.834 . 0 0 "[ ]" 2 942 1 63 THR HA 1 66 GLU HB2 . . 3.900 3.043 3.043 3.043 . 0 0 "[ ]" 2 943 1 63 THR HA 1 66 GLU HB3 . . 4.400 4.503 4.503 4.503 0.103 1 0 "[ ]" 2 944 1 63 THR HA 1 74 TYR CZ . . 8.500 5.470 5.470 5.470 . 0 0 "[ ]" 2 945 1 63 THR HB 1 64 LEU H . . 6.500 2.657 2.657 2.657 . 0 0 "[ ]" 2 946 1 63 THR HB 1 64 LEU MD2 . . 7.500 4.970 4.970 4.970 . 0 0 "[ ]" 2 947 1 63 THR HB 1 74 TYR CZ . . 8.500 6.160 6.160 6.160 . 0 0 "[ ]" 2 948 1 63 THR MG 1 64 LEU H . . 6.400 3.967 3.967 3.967 . 0 0 "[ ]" 2 949 1 63 THR MG 1 74 TYR CZ . . 9.500 3.164 3.164 3.164 . 0 0 "[ ]" 2 950 1 64 LEU H 1 64 LEU QB . . 3.500 2.132 2.132 2.132 . 0 0 "[ ]" 2 951 1 64 LEU H 1 64 LEU HG . . 4.200 2.843 2.843 2.843 . 0 0 "[ ]" 2 952 1 64 LEU H 1 64 LEU MD2 . . 5.300 4.105 4.105 4.105 . 0 0 "[ ]" 2 953 1 64 LEU H 1 64 LEU MD1 . . 5.300 3.098 3.098 3.098 . 0 0 "[ ]" 2 954 1 64 LEU H 1 65 MET H . . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 2 955 1 64 LEU H 1 65 MET QB . . 4.800 4.944 4.944 4.944 0.144 1 0 "[ ]" 2 956 1 64 LEU H 1 66 GLU H . . 5.600 4.627 4.627 4.627 . 0 0 "[ ]" 2 957 1 64 LEU H 1 68 LEU MD2 . . 7.500 6.361 6.361 6.361 . 0 0 "[ ]" 2 958 1 64 LEU HA 1 64 LEU HG . . 3.900 2.320 2.320 2.320 . 0 0 "[ ]" 2 959 1 64 LEU HA 1 64 LEU MD2 . . 4.100 2.426 2.426 2.426 . 0 0 "[ ]" 2 960 1 64 LEU HA 1 65 MET H . . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 2 961 1 64 LEU HA 1 66 GLU H . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 2 962 1 64 LEU HA 1 67 TYR HB2 . . 4.600 3.150 3.150 3.150 . 0 0 "[ ]" 2 963 1 64 LEU HA 1 67 TYR HB3 . . 4.500 2.177 2.177 2.177 . 0 0 "[ ]" 2 964 1 64 LEU HA 1 68 LEU H . . 4.000 3.863 3.863 3.863 . 0 0 "[ ]" 2 965 1 64 LEU HA 1 68 LEU HG . . 6.100 3.384 3.384 3.384 . 0 0 "[ ]" 2 966 1 64 LEU HA 1 68 LEU MD1 . . 6.900 4.231 4.231 4.231 . 0 0 "[ ]" 2 967 1 64 LEU HA 1 68 LEU MD2 . . 6.900 4.327 4.327 4.327 . 0 0 "[ ]" 2 968 1 64 LEU QB 1 65 MET H . . 3.100 2.912 2.912 2.912 . 0 0 "[ ]" 2 969 1 64 LEU QB 1 68 LEU MD1 . . 4.100 2.606 2.606 2.606 . 0 0 "[ ]" 2 970 1 64 LEU QB 1 95 ILE MD . . 7.200 1.956 1.956 1.956 . 0 0 "[ ]" 2 971 1 64 LEU QB 1 66 GLU H . . 4.800 5.022 5.022 5.022 0.222 1 0 "[ ]" 2 972 1 64 LEU QB 1 68 LEU H . . 5.100 4.452 4.452 4.452 . 0 0 "[ ]" 2 973 1 64 LEU QB 1 68 LEU MD2 . . 5.100 3.716 3.716 3.716 . 0 0 "[ ]" 2 974 1 64 LEU MD2 1 65 MET H . . 6.800 4.987 4.987 4.987 . 0 0 "[ ]" 2 975 1 64 LEU MD2 1 66 GLU H . . 7.500 6.214 6.214 6.214 . 0 0 "[ ]" 2 976 1 64 LEU MD2 1 67 TYR HA . . 7.500 5.675 5.675 5.675 . 0 0 "[ ]" 2 977 1 64 LEU MD2 1 67 TYR HB2 . . 6.700 4.310 4.310 4.310 . 0 0 "[ ]" 2 978 1 64 LEU MD2 1 67 TYR HB3 . . 5.600 3.045 3.045 3.045 . 0 0 "[ ]" 2 979 1 64 LEU MD2 1 94 LEU HG . . 6.700 6.171 6.171 6.171 . 0 0 "[ ]" 2 980 1 64 LEU MD2 1 94 LEU MD1 . . 8.100 5.345 5.345 5.345 . 0 0 "[ ]" 2 981 1 64 LEU MD2 1 95 ILE MD . . 7.600 3.637 3.637 3.637 . 0 0 "[ ]" 2 982 1 64 LEU MD1 1 65 MET H . . 6.200 4.784 4.784 4.784 . 0 0 "[ ]" 2 983 1 64 LEU MD1 1 68 LEU H . . 7.200 6.425 6.425 6.425 . 0 0 "[ ]" 2 984 1 64 LEU MD1 1 95 ILE H . . 7.500 6.096 6.096 6.096 . 0 0 "[ ]" 2 985 1 64 LEU MD1 1 95 ILE HA . . 7.200 4.449 4.449 4.449 . 0 0 "[ ]" 2 986 1 64 LEU MD1 1 95 ILE MD . . 7.000 3.111 3.111 3.111 . 0 0 "[ ]" 2 987 1 64 LEU MD1 1 98 LEU H . . 7.100 6.548 6.548 6.548 . 0 0 "[ ]" 2 988 1 64 LEU MD1 1 99 LYS H . . 7.500 6.033 6.033 6.033 . 0 0 "[ ]" 2 989 1 65 MET H 1 65 MET QB . . 3.000 2.337 2.337 2.337 . 0 0 "[ ]" 2 990 1 65 MET H 1 66 GLU H . . 3.900 2.925 2.925 2.925 . 0 0 "[ ]" 2 991 1 65 MET H 1 68 LEU MD1 . . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 2 992 1 65 MET H 1 68 LEU MD2 . . 7.500 6.095 6.095 6.095 . 0 0 "[ ]" 2 993 1 65 MET H 1 95 ILE QG . . 5.800 5.158 5.158 5.158 . 0 0 "[ ]" 2 994 1 65 MET HA 1 66 GLU H . . 4.500 3.522 3.522 3.522 . 0 0 "[ ]" 2 995 1 65 MET HA 1 66 GLU QG . . 4.900 5.219 5.219 5.219 0.319 1 0 "[ ]" 2 996 1 65 MET HA 1 68 LEU H . . 6.100 3.450 3.450 3.450 . 0 0 "[ ]" 2 997 1 65 MET HA 1 68 LEU QB . . 6.100 2.946 2.946 2.946 . 0 0 "[ ]" 2 998 1 65 MET HA 1 68 LEU MD2 . . 6.900 5.142 5.142 5.142 . 0 0 "[ ]" 2 999 1 66 GLU H 1 66 GLU HB2 . . 3.500 2.136 2.136 2.136 . 0 0 "[ ]" 2 1000 1 66 GLU H 1 66 GLU HB3 . . 3.400 3.420 3.420 3.420 0.020 1 0 "[ ]" 2 1001 1 66 GLU H 1 66 GLU QG . . 4.300 2.379 2.379 2.379 . 0 0 "[ ]" 2 1002 1 66 GLU H 1 67 TYR H . . 3.900 2.751 2.751 2.751 . 0 0 "[ ]" 2 1003 1 66 GLU H 1 67 TYR HA . . 5.400 5.335 5.335 5.335 . 0 0 "[ ]" 2 1004 1 66 GLU H 1 67 TYR HB2 . . 6.500 4.945 4.945 4.945 . 0 0 "[ ]" 2 1005 1 66 GLU H 1 67 TYR HB3 . . 6.500 4.937 4.937 4.937 . 0 0 "[ ]" 2 1006 1 66 GLU H 1 74 TYR CG . . 8.500 7.251 7.251 7.251 . 0 0 "[ ]" 2 1007 1 66 GLU HA 1 66 GLU HB3 . . 3.000 2.675 2.675 2.675 . 0 0 "[ ]" 2 1008 1 66 GLU HA 1 66 GLU QG . . 3.700 2.390 2.390 2.390 . 0 0 "[ ]" 2 1009 1 66 GLU HA 1 69 GLU H . . 4.000 3.970 3.970 3.970 . 0 0 "[ ]" 2 1010 1 66 GLU HB2 1 74 TYR CG . . 7.400 5.201 5.201 5.201 . 0 0 "[ ]" 2 1011 1 66 GLU HB2 1 74 TYR CZ . . 8.500 5.948 5.948 5.948 . 0 0 "[ ]" 2 1012 1 66 GLU HB3 1 74 TYR CG . . 7.600 4.478 4.478 4.478 . 0 0 "[ ]" 2 1013 1 66 GLU HB3 1 74 TYR CZ . . 6.500 5.829 5.829 5.829 . 0 0 "[ ]" 2 1014 1 67 TYR H 1 67 TYR HB2 . . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 2 1015 1 67 TYR H 1 67 TYR HB3 . . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 2 1016 1 67 TYR H 1 74 TYR CG . . 8.400 5.570 5.570 5.570 . 0 0 "[ ]" 2 1017 1 67 TYR HA 1 68 LEU H . . 6.200 3.588 3.588 3.588 . 0 0 "[ ]" 2 1018 1 67 TYR HA 1 69 GLU H . . 5.200 4.849 4.849 4.849 . 0 0 "[ ]" 2 1019 1 67 TYR HA 1 70 ASN H . . 6.100 3.800 3.800 3.800 . 0 0 "[ ]" 2 1020 1 67 TYR HA 1 71 PRO HA . . 5.100 2.371 2.371 2.371 . 0 0 "[ ]" 2 1021 1 67 TYR HA 1 74 TYR QB . . 6.400 3.164 3.164 3.164 . 0 0 "[ ]" 2 1022 1 67 TYR HA 1 74 TYR CG . . 7.300 4.866 4.866 4.866 . 0 0 "[ ]" 2 1023 1 67 TYR HB2 1 68 LEU H . . 4.500 4.096 4.096 4.096 . 0 0 "[ ]" 2 1024 1 67 TYR HB2 1 68 LEU MD2 . . 7.500 5.176 5.176 5.176 . 0 0 "[ ]" 2 1025 1 67 TYR HB2 1 74 TYR QB . . 7.500 3.756 3.756 3.756 . 0 0 "[ ]" 2 1026 1 67 TYR HB2 1 74 TYR CG . . 7.200 4.626 4.626 4.626 . 0 0 "[ ]" 2 1027 1 67 TYR HB2 1 74 TYR CZ . . 8.500 5.883 5.883 5.883 . 0 0 "[ ]" 2 1028 1 67 TYR HB3 1 68 LEU MD2 . . 6.300 3.765 3.765 3.765 . 0 0 "[ ]" 2 1029 1 67 TYR HB3 1 74 TYR CG . . 8.500 6.367 6.367 6.367 . 0 0 "[ ]" 2 1030 1 67 TYR HB3 1 74 TYR CZ . . 8.500 7.582 7.582 7.582 . 0 0 "[ ]" 2 1031 1 68 LEU H 1 68 LEU QB . . 3.500 2.338 2.338 2.338 . 0 0 "[ ]" 2 1032 1 68 LEU H 1 68 LEU HG . . 3.700 2.446 2.446 2.446 . 0 0 "[ ]" 2 1033 1 68 LEU H 1 68 LEU MD1 . . 4.500 3.631 3.631 3.631 . 0 0 "[ ]" 2 1034 1 68 LEU H 1 68 LEU MD2 . . 4.800 3.466 3.466 3.466 . 0 0 "[ ]" 2 1035 1 68 LEU H 1 69 GLU H . . 3.800 2.422 2.422 2.422 . 0 0 "[ ]" 2 1036 1 68 LEU HA 1 68 LEU HG . . 4.400 3.157 3.157 3.157 . 0 0 "[ ]" 2 1037 1 68 LEU HA 1 68 LEU MD2 . . 3.800 2.136 2.136 2.136 . 0 0 "[ ]" 2 1038 1 68 LEU HA 1 69 GLU H . . 5.600 3.625 3.625 3.625 . 0 0 "[ ]" 2 1039 1 68 LEU HA 1 70 ASN H . . 4.700 4.455 4.455 4.455 . 0 0 "[ ]" 2 1040 1 68 LEU HA 1 82 PHE CZ . . 8.400 5.150 5.150 5.150 . 0 0 "[ ]" 2 1041 1 68 LEU HA 1 82 PHE HZ . . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 2 1042 1 68 LEU HA 1 85 ILE MD . . 7.500 3.920 3.920 3.920 . 0 0 "[ ]" 2 1043 1 68 LEU HA 1 94 LEU MD2 . . 7.500 5.372 5.372 5.372 . 0 0 "[ ]" 2 1044 1 68 LEU QB 1 69 GLU H . . 5.100 2.510 2.510 2.510 . 0 0 "[ ]" 2 1045 1 68 LEU QB 1 85 ILE QG . . 4.000 4.583 4.583 4.583 0.583 1 1 [+] 2 1046 1 68 LEU QB 1 82 PHE HZ . . 6.500 5.058 5.058 5.058 . 0 0 "[ ]" 2 1047 1 68 LEU MD1 1 69 GLU H . . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 2 1048 1 68 LEU MD1 1 82 PHE CG . . 9.500 7.435 7.435 7.435 . 0 0 "[ ]" 2 1049 1 68 LEU MD1 1 82 PHE CZ . . 9.500 6.075 6.075 6.075 . 0 0 "[ ]" 2 1050 1 68 LEU MD1 1 82 PHE HZ . . 7.500 5.675 5.675 5.675 . 0 0 "[ ]" 2 1051 1 68 LEU MD1 1 85 ILE HB . . 6.900 4.975 4.975 4.975 . 0 0 "[ ]" 2 1052 1 68 LEU MD1 1 85 ILE MG . . 6.400 3.427 3.427 3.427 . 0 0 "[ ]" 2 1053 1 68 LEU MD1 1 85 ILE MD . . 6.000 3.138 3.138 3.138 . 0 0 "[ ]" 2 1054 1 68 LEU MD1 1 90 GLU H . . 7.500 6.251 6.251 6.251 . 0 0 "[ ]" 2 1055 1 68 LEU MD1 1 91 ARG H . . 7.500 4.357 4.357 4.357 . 0 0 "[ ]" 2 1056 1 68 LEU MD1 1 91 ARG HA . . 6.100 2.527 2.527 2.527 . 0 0 "[ ]" 2 1057 1 68 LEU MD1 1 94 LEU H . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 2 1058 1 68 LEU MD1 1 94 LEU QB . . 5.600 2.687 2.687 2.687 . 0 0 "[ ]" 2 1059 1 68 LEU MD1 1 94 LEU MD1 . . 6.600 3.068 3.068 3.068 . 0 0 "[ ]" 2 1060 1 68 LEU MD1 1 94 LEU MD2 . . 4.800 2.024 2.024 2.024 . 0 0 "[ ]" 2 1061 1 68 LEU MD1 1 95 ILE H . . 6.300 3.966 3.966 3.966 . 0 0 "[ ]" 2 1062 1 68 LEU MD1 1 95 ILE HA . . 7.400 4.595 4.595 4.595 . 0 0 "[ ]" 2 1063 1 68 LEU MD1 1 95 ILE QG . . 5.100 3.053 3.053 3.053 . 0 0 "[ ]" 2 1064 1 68 LEU MD1 1 95 ILE MD . . 6.700 2.579 2.579 2.579 . 0 0 "[ ]" 2 1065 1 68 LEU MD1 1 98 LEU MD1 . . 6.900 4.066 4.066 4.066 . 0 0 "[ ]" 2 1066 1 68 LEU MD2 1 71 PRO HA . . 7.500 5.931 5.931 5.931 . 0 0 "[ ]" 2 1067 1 68 LEU MD2 1 71 PRO HG3 . . 5.800 4.907 4.907 4.907 . 0 0 "[ ]" 2 1068 1 68 LEU MD2 1 82 PHE CG . . 9.500 5.137 5.137 5.137 . 0 0 "[ ]" 2 1069 1 68 LEU MD2 1 82 PHE CZ . . 8.800 4.334 4.334 4.334 . 0 0 "[ ]" 2 1070 1 68 LEU MD2 1 82 PHE HZ . . 7.200 4.242 4.242 4.242 . 0 0 "[ ]" 2 1071 1 68 LEU MD2 1 85 ILE H . . 7.500 6.304 6.304 6.304 . 0 0 "[ ]" 2 1072 1 68 LEU MD2 1 85 ILE HB . . 6.400 4.474 4.474 4.474 . 0 0 "[ ]" 2 1073 1 68 LEU MD2 1 85 ILE MG . . 6.500 3.924 3.924 3.924 . 0 0 "[ ]" 2 1074 1 68 LEU MD2 1 85 ILE QG . . 6.500 4.666 4.666 4.666 . 0 0 "[ ]" 2 1075 1 68 LEU MD2 1 85 ILE MD . . 5.500 2.690 2.690 2.690 . 0 0 "[ ]" 2 1076 1 68 LEU MD2 1 91 ARG HA . . 7.500 5.205 5.205 5.205 . 0 0 "[ ]" 2 1077 1 68 LEU MD2 1 94 LEU H . . 7.500 6.368 6.368 6.368 . 0 0 "[ ]" 2 1078 1 68 LEU MD2 1 94 LEU QB . . 7.200 4.164 4.164 4.164 . 0 0 "[ ]" 2 1079 1 68 LEU MD2 1 94 LEU MD1 . . 7.300 3.192 3.192 3.192 . 0 0 "[ ]" 2 1080 1 68 LEU MD2 1 94 LEU MD2 . . 5.500 2.528 2.528 2.528 . 0 0 "[ ]" 2 1081 1 68 LEU MD2 1 95 ILE H . . 7.500 6.006 6.006 6.006 . 0 0 "[ ]" 2 1082 1 68 LEU MD2 1 98 LEU MD1 . . 7.000 4.331 4.331 4.331 . 0 0 "[ ]" 2 1083 1 69 GLU H 1 69 GLU HB2 . . 3.700 2.608 2.608 2.608 . 0 0 "[ ]" 2 1084 1 69 GLU H 1 69 GLU HB3 . . 3.300 2.535 2.535 2.535 . 0 0 "[ ]" 2 1085 1 69 GLU H 1 70 ASN H . . 4.200 2.869 2.869 2.869 . 0 0 "[ ]" 2 1086 1 69 GLU HA 1 70 ASN H . . 4.700 3.628 3.628 3.628 . 0 0 "[ ]" 2 1087 1 69 GLU HB2 1 70 ASN H . . 4.300 3.922 3.922 3.922 . 0 0 "[ ]" 2 1088 1 69 GLU HB2 1 87 LYS HA . . 4.200 4.629 4.629 4.629 0.429 1 0 "[ ]" 2 1089 1 69 GLU HB3 1 70 ASN H . . 4.200 2.554 2.554 2.554 . 0 0 "[ ]" 2 1090 1 69 GLU HB3 1 87 LYS HA . . 6.000 6.137 6.137 6.137 0.137 1 0 "[ ]" 2 1091 1 70 ASN H 1 70 ASN HB2 . . 4.300 3.344 3.344 3.344 . 0 0 "[ ]" 2 1092 1 70 ASN H 1 70 ASN HB3 . . 4.300 3.109 3.109 3.109 . 0 0 "[ ]" 2 1093 1 70 ASN H 1 71 PRO HD2 . . 6.500 4.479 4.479 4.479 . 0 0 "[ ]" 2 1094 1 70 ASN H 1 71 PRO HD3 . . 4.900 3.730 3.730 3.730 . 0 0 "[ ]" 2 1095 1 70 ASN HB2 1 73 LYS H . . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 2 1096 1 71 PRO HA 1 72 LYS H . . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 2 1097 1 71 PRO HA 1 73 LYS H . . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 2 1098 1 71 PRO HA 1 74 TYR H . . 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 2 1099 1 71 PRO HA 1 74 TYR CG . . 8.500 5.389 5.389 5.389 . 0 0 "[ ]" 2 1100 1 71 PRO HA 1 75 ILE H . . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 2 1101 1 71 PRO HA 1 76 PRO HB3 . . 6.500 6.573 6.573 6.573 0.073 1 0 "[ ]" 2 1102 1 71 PRO HG2 1 72 LYS H . . 6.300 2.781 2.781 2.781 . 0 0 "[ ]" 2 1103 1 71 PRO HG2 1 76 PRO HB3 . . 6.300 6.384 6.384 6.384 0.084 1 0 "[ ]" 2 1104 1 71 PRO HG2 1 82 PHE CG . . 6.900 5.179 5.179 5.179 . 0 0 "[ ]" 2 1105 1 71 PRO HG2 1 82 PHE CZ . . 8.300 7.232 7.232 7.232 . 0 0 "[ ]" 2 1106 1 71 PRO HD2 1 72 LYS H . . 6.500 2.684 2.684 2.684 . 0 0 "[ ]" 2 1107 1 71 PRO HD3 1 82 PHE HZ . . 6.500 6.552 6.552 6.552 0.052 1 0 "[ ]" 2 1108 1 72 LYS H 1 72 LYS HB2 . . 3.600 2.546 2.546 2.546 . 0 0 "[ ]" 2 1109 1 72 LYS H 1 72 LYS HB3 . . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 2 1110 1 72 LYS H 1 72 LYS HG3 . . 3.900 2.229 2.229 2.229 . 0 0 "[ ]" 2 1111 1 72 LYS H 1 72 LYS HG2 . . 5.600 3.649 3.649 3.649 . 0 0 "[ ]" 2 1112 1 72 LYS H 1 73 LYS H . . 3.700 2.665 2.665 2.665 . 0 0 "[ ]" 2 1113 1 72 LYS HA 1 72 LYS HG3 . . 3.900 2.849 2.849 2.849 . 0 0 "[ ]" 2 1114 1 72 LYS HA 1 73 LYS H . . 4.900 3.527 3.527 3.527 . 0 0 "[ ]" 2 1115 1 72 LYS HA 1 73 LYS HB2 . . 6.500 5.647 5.647 5.647 . 0 0 "[ ]" 2 1116 1 72 LYS HA 1 76 PRO HB3 . . 6.500 2.061 2.061 2.061 . 0 0 "[ ]" 2 1117 1 72 LYS HA 1 76 PRO HG2 . . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 2 1118 1 72 LYS HB2 1 73 LYS H . . 5.100 2.942 2.942 2.942 . 0 0 "[ ]" 2 1119 1 72 LYS HB3 1 73 LYS H . . 4.700 3.957 3.957 3.957 . 0 0 "[ ]" 2 1120 1 72 LYS HB3 1 76 PRO HA . . 5.400 4.135 4.135 4.135 . 0 0 "[ ]" 2 1121 1 72 LYS HG3 1 73 LYS H . . 4.800 4.499 4.499 4.499 . 0 0 "[ ]" 2 1122 1 72 LYS HG3 1 76 PRO HA . . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 2 1123 1 72 LYS HG3 1 76 PRO HG3 . . 6.500 6.750 6.750 6.750 0.250 1 0 "[ ]" 2 1124 1 72 LYS HG2 1 73 LYS H . . 6.400 5.302 5.302 5.302 . 0 0 "[ ]" 2 1125 1 72 LYS HG2 1 76 PRO HA . . 6.500 3.644 3.644 3.644 . 0 0 "[ ]" 2 1126 1 73 LYS H 1 73 LYS HB2 . . 3.400 2.370 2.370 2.370 . 0 0 "[ ]" 2 1127 1 73 LYS H 1 73 LYS HB3 . . 3.400 2.498 2.498 2.498 . 0 0 "[ ]" 2 1128 1 73 LYS H 1 74 TYR H . . 3.400 2.665 2.665 2.665 . 0 0 "[ ]" 2 1129 1 73 LYS H 1 74 TYR QB . . 6.400 4.227 4.227 4.227 . 0 0 "[ ]" 2 1130 1 73 LYS HA 1 74 TYR H . . 6.500 3.443 3.443 3.443 . 0 0 "[ ]" 2 1131 1 73 LYS HA 1 76 PRO HG3 . . 6.000 5.102 5.102 5.102 . 0 0 "[ ]" 2 1132 1 73 LYS HB2 1 74 TYR H . . 4.700 4.302 4.302 4.302 . 0 0 "[ ]" 2 1133 1 73 LYS HB3 1 74 TYR H . . 4.800 3.464 3.464 3.464 . 0 0 "[ ]" 2 1134 1 74 TYR H 1 74 TYR QB . . 3.900 2.591 2.591 2.591 . 0 0 "[ ]" 2 1135 1 74 TYR H 1 75 ILE H . . 4.100 2.117 2.117 2.117 . 0 0 "[ ]" 2 1136 1 74 TYR H 1 76 PRO HB3 . . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 2 1137 1 74 TYR QB 1 75 ILE H . . 7.300 2.567 2.567 2.567 . 0 0 "[ ]" 2 1138 1 74 TYR QB 1 75 ILE MG . . 8.500 5.073 5.073 5.073 . 0 0 "[ ]" 2 1139 1 74 TYR CG 1 75 ILE H . . 7.900 4.234 4.234 4.234 . 0 0 "[ ]" 2 1140 1 74 TYR CG 1 75 ILE MG . . 9.500 5.738 5.738 5.738 . 0 0 "[ ]" 2 1141 1 74 TYR CG 1 76 PRO QD . . 9.500 5.795 5.795 5.795 . 0 0 "[ ]" 2 1142 1 75 ILE H 1 75 ILE HB . . 4.200 3.073 3.073 3.073 . 0 0 "[ ]" 2 1143 1 75 ILE H 1 78 THR HB . . 6.000 5.300 5.300 5.300 . 0 0 "[ ]" 2 1144 1 75 ILE HB 1 78 THR HB . . 4.300 3.248 3.248 3.248 . 0 0 "[ ]" 2 1145 1 75 ILE MG 1 77 GLY HA3 . . 6.200 4.650 4.650 4.650 . 0 0 "[ ]" 2 1146 1 75 ILE MG 1 78 THR H . . 6.300 4.107 4.107 4.107 . 0 0 "[ ]" 2 1147 1 75 ILE MG 1 78 THR HA . . 7.200 4.062 4.062 4.062 . 0 0 "[ ]" 2 1148 1 75 ILE MG 1 78 THR HB . . 4.700 2.223 2.223 2.223 . 0 0 "[ ]" 2 1149 1 75 ILE MG 1 78 THR MG . . 7.100 3.061 3.061 3.061 . 0 0 "[ ]" 2 1150 1 76 PRO HA 1 77 GLY H . . 4.400 3.598 3.598 3.598 . 0 0 "[ ]" 2 1151 1 76 PRO HB2 1 77 GLY H . . 4.700 3.497 3.497 3.497 . 0 0 "[ ]" 2 1152 1 76 PRO HB2 1 78 THR H . . 5.600 4.815 4.815 4.815 . 0 0 "[ ]" 2 1153 1 76 PRO HB3 1 77 GLY H . . 6.500 4.193 4.193 4.193 . 0 0 "[ ]" 2 1154 1 76 PRO HG2 1 77 GLY H . . 6.300 2.341 2.341 2.341 . 0 0 "[ ]" 2 1155 1 77 GLY H 1 78 THR H . . 4.000 3.413 3.413 3.413 . 0 0 "[ ]" 2 1156 1 77 GLY H 1 78 THR MG . . 6.800 5.097 5.097 5.097 . 0 0 "[ ]" 2 1157 1 77 GLY HA2 1 78 THR H . . 6.500 2.789 2.789 2.789 . 0 0 "[ ]" 2 1158 1 78 THR H 1 78 THR HB . . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 2 1159 1 78 THR H 1 78 THR MG . . 4.500 3.032 3.032 3.032 . 0 0 "[ ]" 2 1160 1 78 THR H 1 81 ILE MG . . 7.500 5.615 5.615 5.615 . 0 0 "[ ]" 2 1161 1 78 THR HA 1 79 LYS H . . 4.000 2.263 2.263 2.263 . 0 0 "[ ]" 2 1162 1 78 THR HA 1 79 LYS HG2 . . 6.400 6.524 6.524 6.524 0.124 1 0 "[ ]" 2 1163 1 78 THR HA 1 79 LYS HG3 . . 6.500 5.949 5.949 5.949 . 0 0 "[ ]" 2 1164 1 78 THR HB 1 79 LYS H . . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 2 1165 1 78 THR MG 1 80 MET H . . 4.500 1.957 1.957 1.957 . 0 0 "[ ]" 2 1166 1 78 THR MG 1 80 MET HB2 . . 5.700 2.811 2.811 2.811 . 0 0 "[ ]" 2 1167 1 78 THR HG1 1 79 LYS H . . 4.700 3.083 3.083 3.083 . 0 0 "[ ]" 2 1168 1 78 THR HG1 1 80 MET H . . 6.400 4.209 4.209 4.209 . 0 0 "[ ]" 2 1169 1 79 LYS H 1 79 LYS HG2 . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 2 1170 1 79 LYS H 1 79 LYS HG3 . . 5.100 4.213 4.213 4.213 . 0 0 "[ ]" 2 1171 1 79 LYS H 1 80 MET H . . 4.100 2.796 2.796 2.796 . 0 0 "[ ]" 2 1172 1 80 MET HA 1 81 ILE H . . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 2 1173 1 81 ILE H 1 81 ILE HB . . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 2 1174 1 81 ILE H 1 81 ILE HG12 . . 4.100 2.646 2.646 2.646 . 0 0 "[ ]" 2 1175 1 81 ILE H 1 81 ILE HG13 . . 4.800 3.792 3.792 3.792 . 0 0 "[ ]" 2 1176 1 81 ILE H 1 81 ILE MD . . 5.800 2.035 2.035 2.035 . 0 0 "[ ]" 2 1177 1 81 ILE HA 1 82 PHE H . . 4.000 2.599 2.599 2.599 . 0 0 "[ ]" 2 1178 1 81 ILE HB 1 82 PHE H . . 6.500 4.367 4.367 4.367 . 0 0 "[ ]" 2 1179 1 81 ILE MG 1 82 PHE H . . 5.900 4.374 4.374 4.374 . 0 0 "[ ]" 2 1180 1 81 ILE MG 1 82 PHE HA . . 7.500 5.740 5.740 5.740 . 0 0 "[ ]" 2 1181 1 81 ILE HG12 1 82 PHE H . . 6.500 4.366 4.366 4.366 . 0 0 "[ ]" 2 1182 1 81 ILE MD 1 82 PHE H . . 7.500 5.039 5.039 5.039 . 0 0 "[ ]" 2 1183 1 82 PHE H 1 83 ALA HA . . 6.500 5.190 5.190 5.190 . 0 0 "[ ]" 2 1184 1 82 PHE CG 1 85 ILE HB . . 8.500 6.022 6.022 6.022 . 0 0 "[ ]" 2 1185 1 82 PHE CG 1 85 ILE QG . . 7.200 5.377 5.377 5.377 . 0 0 "[ ]" 2 1186 1 82 PHE CZ 1 84 GLY H . . 8.500 3.978 3.978 3.978 . 0 0 "[ ]" 2 1187 1 82 PHE CZ 1 84 GLY HA2 . . 8.500 4.598 4.598 4.598 . 0 0 "[ ]" 2 1188 1 82 PHE CZ 1 84 GLY HA3 . . 8.500 5.804 5.804 5.804 . 0 0 "[ ]" 2 1189 1 82 PHE CZ 1 85 ILE H . . 7.500 5.409 5.409 5.409 . 0 0 "[ ]" 2 1190 1 82 PHE CZ 1 85 ILE HA . . 6.800 5.045 5.045 5.045 . 0 0 "[ ]" 2 1191 1 82 PHE CZ 1 85 ILE HB . . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 2 1192 1 82 PHE CZ 1 85 ILE MG . . 9.100 4.886 4.886 4.886 . 0 0 "[ ]" 2 1193 1 82 PHE CZ 1 85 ILE QG . . 5.800 2.856 2.856 2.856 . 0 0 "[ ]" 2 1194 1 82 PHE CZ 1 85 ILE MD . . 7.500 2.864 2.864 2.864 . 0 0 "[ ]" 2 1195 1 82 PHE HZ 1 84 GLY H . . 6.500 4.421 4.421 4.421 . 0 0 "[ ]" 2 1196 1 82 PHE HZ 1 84 GLY HA2 . . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 2 1197 1 82 PHE HZ 1 84 GLY HA3 . . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 2 1198 1 82 PHE HZ 1 85 ILE H . . 6.000 5.179 5.179 5.179 . 0 0 "[ ]" 2 1199 1 82 PHE HZ 1 85 ILE HA . . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 2 1200 1 82 PHE HZ 1 85 ILE HB . . 3.600 3.446 3.446 3.446 . 0 0 "[ ]" 2 1201 1 82 PHE HZ 1 85 ILE MG . . 5.200 4.253 4.253 4.253 . 0 0 "[ ]" 2 1202 1 82 PHE HZ 1 85 ILE QG . . 3.200 2.013 2.013 2.013 . 0 0 "[ ]" 2 1203 1 82 PHE HZ 1 85 ILE MD . . 4.400 2.149 2.149 2.149 . 0 0 "[ ]" 2 1204 1 83 ALA MB 1 84 GLY H . . 4.500 2.216 2.216 2.216 . 0 0 "[ ]" 2 1205 1 83 ALA MB 1 84 GLY HA2 . . 4.200 4.331 4.331 4.331 0.131 1 0 "[ ]" 2 1206 1 83 ALA MB 1 84 GLY HA3 . . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 2 1207 1 84 GLY HA2 1 85 ILE QG . . 4.200 4.409 4.409 4.409 0.209 1 0 "[ ]" 2 1208 1 84 GLY HA2 1 85 ILE MD . . 7.300 4.935 4.935 4.935 . 0 0 "[ ]" 2 1209 1 84 GLY HA3 1 85 ILE QG . . 6.500 5.061 5.061 5.061 . 0 0 "[ ]" 2 1210 1 85 ILE H 1 85 ILE HB . . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 2 1211 1 85 ILE H 1 85 ILE QG . . 4.800 3.738 3.738 3.738 . 0 0 "[ ]" 2 1212 1 85 ILE H 1 85 ILE MD . . 5.600 4.461 4.461 4.461 . 0 0 "[ ]" 2 1213 1 85 ILE H 1 86 LYS H . . 5.100 4.389 4.389 4.389 . 0 0 "[ ]" 2 1214 1 85 ILE HA 1 85 ILE QG . . 3.800 2.173 2.173 2.173 . 0 0 "[ ]" 2 1215 1 85 ILE HA 1 86 LYS H . . 3.200 2.710 2.710 2.710 . 0 0 "[ ]" 2 1216 1 85 ILE MG 1 86 LYS H . . 5.300 1.950 1.950 1.950 . 0 0 "[ ]" 2 1217 1 85 ILE MG 1 86 LYS HA . . 6.500 4.058 4.058 4.058 . 0 0 "[ ]" 2 1218 1 85 ILE MG 1 86 LYS HB2 . . 4.400 3.379 3.379 3.379 . 0 0 "[ ]" 2 1219 1 85 ILE MG 1 86 LYS QG . . 8.300 3.207 3.207 3.207 . 0 0 "[ ]" 2 1220 1 85 ILE MG 1 87 LYS H . . 4.900 3.063 3.063 3.063 . 0 0 "[ ]" 2 1221 1 85 ILE MG 1 90 GLU H . . 6.200 4.032 4.032 4.032 . 0 0 "[ ]" 2 1222 1 85 ILE MG 1 90 GLU HA . . 6.600 3.639 3.639 3.639 . 0 0 "[ ]" 2 1223 1 85 ILE MG 1 90 GLU HB2 . . 5.000 1.934 1.934 1.934 . 0 0 "[ ]" 2 1224 1 85 ILE MG 1 90 GLU HB3 . . 5.400 2.112 2.112 2.112 . 0 0 "[ ]" 2 1225 1 85 ILE MG 1 91 ARG H . . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 2 1226 1 85 ILE MG 1 91 ARG HA . . 5.700 4.760 4.760 4.760 . 0 0 "[ ]" 2 1227 1 85 ILE QG 1 86 LYS H . . 4.200 2.962 2.962 2.962 . 0 0 "[ ]" 2 1228 1 85 ILE QG 1 86 LYS QG . . 7.500 3.896 3.896 3.896 . 0 0 "[ ]" 2 1229 1 85 ILE QG 1 90 GLU HA . . 5.900 5.499 5.499 5.499 . 0 0 "[ ]" 2 1230 1 85 ILE MD 1 86 LYS H . . 7.000 3.987 3.987 3.987 . 0 0 "[ ]" 2 1231 1 85 ILE MD 1 86 LYS QG . . 8.500 4.689 4.689 4.689 . 0 0 "[ ]" 2 1232 1 85 ILE MD 1 90 GLU HB2 . . 7.500 3.016 3.016 3.016 . 0 0 "[ ]" 2 1233 1 85 ILE MD 1 90 GLU HB3 . . 6.000 4.070 4.070 4.070 . 0 0 "[ ]" 2 1234 1 85 ILE MD 1 94 LEU QB . . 4.400 3.251 3.251 3.251 . 0 0 "[ ]" 2 1235 1 85 ILE MD 1 94 LEU MD1 . . 6.300 2.056 2.056 2.056 . 0 0 "[ ]" 2 1236 1 86 LYS H 1 86 LYS HB2 . . 4.100 2.852 2.852 2.852 . 0 0 "[ ]" 2 1237 1 86 LYS H 1 86 LYS HB3 . . 3.700 3.670 3.670 3.670 . 0 0 "[ ]" 2 1238 1 86 LYS H 1 90 GLU H . . 6.100 4.857 4.857 4.857 . 0 0 "[ ]" 2 1239 1 86 LYS H 1 90 GLU HB2 . . 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 2 1240 1 86 LYS H 1 90 GLU HB3 . . 4.400 2.732 2.732 2.732 . 0 0 "[ ]" 2 1241 1 86 LYS HA 1 86 LYS QE . . 5.200 4.685 4.685 4.685 . 0 0 "[ ]" 2 1242 1 86 LYS HA 1 87 LYS H . . 3.700 3.560 3.560 3.560 . 0 0 "[ ]" 2 1243 1 86 LYS HB2 1 87 LYS H . . 3.800 2.089 2.089 2.089 . 0 0 "[ ]" 2 1244 1 86 LYS HB2 1 88 LYS H . . 4.700 3.730 3.730 3.730 . 0 0 "[ ]" 2 1245 1 86 LYS HB2 1 89 THR H . . 3.700 3.773 3.773 3.773 0.073 1 0 "[ ]" 2 1246 1 86 LYS HB2 1 90 GLU H . . 3.700 2.613 2.613 2.613 . 0 0 "[ ]" 2 1247 1 86 LYS HB3 1 87 LYS H . . 3.000 2.999 2.999 2.999 . 0 0 "[ ]" 2 1248 1 86 LYS HB3 1 87 LYS HA . . 5.100 5.109 5.109 5.109 0.009 1 0 "[ ]" 2 1249 1 86 LYS HB3 1 88 LYS H . . 4.400 4.032 4.032 4.032 . 0 0 "[ ]" 2 1250 1 86 LYS HB3 1 90 GLU H . . 3.900 3.947 3.947 3.947 0.047 1 0 "[ ]" 2 1251 1 86 LYS QG 1 87 LYS H . . 5.400 3.948 3.948 3.948 . 0 0 "[ ]" 2 1252 1 86 LYS QD 1 89 THR HB . . 6.300 3.480 3.480 3.480 . 0 0 "[ ]" 2 1253 1 86 LYS QE 1 89 THR MG . . 5.400 3.326 3.326 3.326 . 0 0 "[ ]" 2 1254 1 87 LYS H 1 87 LYS QB . . 3.800 3.190 3.190 3.190 . 0 0 "[ ]" 2 1255 1 87 LYS H 1 88 LYS H . . 6.200 2.607 2.607 2.607 . 0 0 "[ ]" 2 1256 1 87 LYS H 1 88 LYS QB . . 5.600 4.617 4.617 4.617 . 0 0 "[ ]" 2 1257 1 87 LYS H 1 89 THR H . . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 2 1258 1 87 LYS H 1 90 GLU H . . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 2 1259 1 87 LYS H 1 90 GLU HB3 . . 4.100 2.609 2.609 2.609 . 0 0 "[ ]" 2 1260 1 87 LYS HA 1 88 LYS H . . 3.900 3.520 3.520 3.520 . 0 0 "[ ]" 2 1261 1 87 LYS HA 1 89 THR H . . 5.400 5.344 5.344 5.344 . 0 0 "[ ]" 2 1262 1 87 LYS QB 1 88 LYS H . . 7.500 2.276 2.276 2.276 . 0 0 "[ ]" 2 1263 1 87 LYS QB 1 90 GLU H . . 5.300 4.800 4.800 4.800 . 0 0 "[ ]" 2 1264 1 88 LYS H 1 89 THR H . . 4.600 1.992 1.992 1.992 . 0 0 "[ ]" 2 1265 1 88 LYS H 1 89 THR HA . . 6.500 4.741 4.741 4.741 . 0 0 "[ ]" 2 1266 1 88 LYS HA 1 88 LYS QD . . 5.100 3.888 3.888 3.888 . 0 0 "[ ]" 2 1267 1 88 LYS HA 1 88 LYS QE . . 6.300 4.812 4.812 4.812 . 0 0 "[ ]" 2 1268 1 88 LYS HA 1 89 THR H . . 4.800 3.581 3.581 3.581 . 0 0 "[ ]" 2 1269 1 88 LYS HA 1 91 ARG H . . 4.400 3.940 3.940 3.940 . 0 0 "[ ]" 2 1270 1 88 LYS QB 1 89 THR H . . 5.900 2.767 2.767 2.767 . 0 0 "[ ]" 2 1271 1 88 LYS QG 1 89 THR HA . . 7.500 4.061 4.061 4.061 . 0 0 "[ ]" 2 1272 1 89 THR H 1 89 THR HB . . 3.700 2.614 2.614 2.614 . 0 0 "[ ]" 2 1273 1 89 THR H 1 89 THR MG . . 4.700 3.719 3.719 3.719 . 0 0 "[ ]" 2 1274 1 89 THR H 1 90 GLU H . . 4.400 2.337 2.337 2.337 . 0 0 "[ ]" 2 1275 1 89 THR HA 1 89 THR HB . . 3.100 3.035 3.035 3.035 . 0 0 "[ ]" 2 1276 1 89 THR HA 1 90 GLU H . . 4.700 3.583 3.583 3.583 . 0 0 "[ ]" 2 1277 1 89 THR HA 1 90 GLU QG . . 5.800 4.793 4.793 4.793 . 0 0 "[ ]" 2 1278 1 89 THR HA 1 92 GLU H . . 3.900 3.836 3.836 3.836 . 0 0 "[ ]" 2 1279 1 89 THR HB 1 90 GLU H . . 4.400 2.835 2.835 2.835 . 0 0 "[ ]" 2 1280 1 89 THR MG 1 90 GLU H . . 6.700 4.025 4.025 4.025 . 0 0 "[ ]" 2 1281 1 89 THR MG 1 93 ASP H . . 7.100 3.752 3.752 3.752 . 0 0 "[ ]" 2 1282 1 90 GLU H 1 90 GLU HB2 . . 3.400 3.471 3.471 3.471 0.071 1 0 "[ ]" 2 1283 1 90 GLU H 1 90 GLU HB3 . . 3.400 2.452 2.452 2.452 . 0 0 "[ ]" 2 1284 1 90 GLU H 1 91 ARG H . . 3.800 2.942 2.942 2.942 . 0 0 "[ ]" 2 1285 1 90 GLU HA 1 91 ARG H . . 4.700 3.545 3.545 3.545 . 0 0 "[ ]" 2 1286 1 90 GLU HA 1 93 ASP QB . . 5.400 2.541 2.541 2.541 . 0 0 "[ ]" 2 1287 1 90 GLU HB3 1 91 ARG H . . 4.200 3.777 3.777 3.777 . 0 0 "[ ]" 2 1288 1 90 GLU QG 1 91 ARG H . . 7.500 1.860 1.860 1.860 . 0 0 "[ ]" 2 1289 1 90 GLU QG 1 92 GLU H . . 5.900 4.313 4.313 4.313 . 0 0 "[ ]" 2 1290 1 91 ARG H 1 91 ARG HB2 . . 3.800 3.505 3.505 3.505 . 0 0 "[ ]" 2 1291 1 91 ARG H 1 91 ARG HB3 . . 3.200 2.549 2.549 2.549 . 0 0 "[ ]" 2 1292 1 91 ARG H 1 92 GLU H . . 3.600 2.813 2.813 2.813 . 0 0 "[ ]" 2 1293 1 91 ARG HA 1 92 GLU H . . 4.700 3.320 3.320 3.320 . 0 0 "[ ]" 2 1294 1 91 ARG HA 1 92 GLU HA . . 5.200 4.619 4.619 4.619 . 0 0 "[ ]" 2 1295 1 91 ARG HA 1 94 LEU H . . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 2 1296 1 91 ARG HA 1 94 LEU MD2 . . 5.400 4.536 4.536 4.536 . 0 0 "[ ]" 2 1297 1 91 ARG HA 1 95 ILE MD . . 7.500 2.326 2.326 2.326 . 0 0 "[ ]" 2 1298 1 92 GLU HA 1 95 ILE H . . 4.300 4.199 4.199 4.199 . 0 0 "[ ]" 2 1299 1 92 GLU HA 1 95 ILE HA . . 5.900 5.749 5.749 5.749 . 0 0 "[ ]" 2 1300 1 92 GLU HA 1 95 ILE MG . . 4.900 2.776 2.776 2.776 . 0 0 "[ ]" 2 1301 1 92 GLU HA 1 95 ILE QG . . 4.700 5.008 5.008 5.008 0.308 1 0 "[ ]" 2 1302 1 92 GLU HA 1 95 ILE MD . . 7.000 3.964 3.964 3.964 . 0 0 "[ ]" 2 1303 1 92 GLU HA 1 96 ALA H . . 4.300 3.968 3.968 3.968 . 0 0 "[ ]" 2 1304 1 92 GLU QG 1 95 ILE MG . . 7.400 3.868 3.868 3.868 . 0 0 "[ ]" 2 1305 1 93 ASP H 1 94 LEU H . . 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 2 1306 1 93 ASP H 1 94 LEU QB . . 3.800 4.239 4.239 4.239 0.439 1 0 "[ ]" 2 1307 1 93 ASP H 1 95 ILE H . . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 2 1308 1 93 ASP H 1 96 ALA H . . 4.600 4.225 4.225 4.225 . 0 0 "[ ]" 2 1309 1 93 ASP H 1 96 ALA MB . . 5.300 4.434 4.434 4.434 . 0 0 "[ ]" 2 1310 1 93 ASP HA 1 94 LEU H . . 3.800 3.639 3.639 3.639 . 0 0 "[ ]" 2 1311 1 93 ASP HA 1 96 ALA H . . 4.700 3.306 3.306 3.306 . 0 0 "[ ]" 2 1312 1 93 ASP QB 1 94 LEU H . . 4.700 2.487 2.487 2.487 . 0 0 "[ ]" 2 1313 1 94 LEU H 1 94 LEU QB . . 3.000 2.051 2.051 2.051 . 0 0 "[ ]" 2 1314 1 94 LEU H 1 94 LEU HG . . 4.900 4.274 4.274 4.274 . 0 0 "[ ]" 2 1315 1 94 LEU H 1 94 LEU MD1 . . 5.200 3.946 3.946 3.946 . 0 0 "[ ]" 2 1316 1 94 LEU H 1 94 LEU MD2 . . 5.400 4.181 4.181 4.181 . 0 0 "[ ]" 2 1317 1 94 LEU H 1 95 ILE H . . 3.300 2.515 2.515 2.515 . 0 0 "[ ]" 2 1318 1 94 LEU H 1 95 ILE MG . . 7.500 5.264 5.264 5.264 . 0 0 "[ ]" 2 1319 1 94 LEU H 1 98 LEU MD1 . . 7.500 5.304 5.304 5.304 . 0 0 "[ ]" 2 1320 1 94 LEU HA 1 94 LEU MD1 . . 4.400 3.159 3.159 3.159 . 0 0 "[ ]" 2 1321 1 94 LEU HA 1 95 ILE H . . 4.300 3.518 3.518 3.518 . 0 0 "[ ]" 2 1322 1 94 LEU HA 1 96 ALA H . . 4.200 4.211 4.211 4.211 0.011 1 0 "[ ]" 2 1323 1 94 LEU HA 1 97 TYR QD . . 6.400 4.072 4.072 4.072 . 0 0 "[ ]" 2 1324 1 94 LEU QB 1 95 ILE H . . 3.800 2.343 2.343 2.343 . 0 0 "[ ]" 2 1325 1 94 LEU QB 1 97 TYR QD . . 6.500 5.482 5.482 5.482 . 0 0 "[ ]" 2 1326 1 94 LEU HG 1 95 ILE H . . 4.900 4.355 4.355 4.355 . 0 0 "[ ]" 2 1327 1 94 LEU HG 1 95 ILE HA . . 6.500 4.938 4.938 4.938 . 0 0 "[ ]" 2 1328 1 94 LEU HG 1 98 LEU MD1 . . 5.300 2.349 2.349 2.349 . 0 0 "[ ]" 2 1329 1 94 LEU MD1 1 95 ILE H . . 5.600 4.731 4.731 4.731 . 0 0 "[ ]" 2 1330 1 94 LEU MD1 1 96 ALA H . . 7.500 6.302 6.302 6.302 . 0 0 "[ ]" 2 1331 1 94 LEU MD1 1 97 TYR QD . . 4.700 4.930 4.930 4.930 0.230 1 0 "[ ]" 2 1332 1 94 LEU MD1 1 97 TYR HE2 . . 7.000 5.770 5.770 5.770 . 0 0 "[ ]" 2 1333 1 94 LEU MD1 1 98 LEU H . . 5.800 5.763 5.763 5.763 . 0 0 "[ ]" 2 1334 1 94 LEU MD1 1 98 LEU MD1 . . 5.500 3.301 3.301 3.301 . 0 0 "[ ]" 2 1335 1 94 LEU MD1 1 99 LYS H . . 7.500 7.785 7.785 7.785 0.285 1 0 "[ ]" 2 1336 1 94 LEU MD2 1 95 ILE H . . 6.200 3.389 3.389 3.389 . 0 0 "[ ]" 2 1337 1 94 LEU MD2 1 95 ILE HA . . 7.500 3.340 3.340 3.340 . 0 0 "[ ]" 2 1338 1 94 LEU MD2 1 95 ILE MD . . 8.500 3.926 3.926 3.926 . 0 0 "[ ]" 2 1339 1 94 LEU MD2 1 96 ALA H . . 7.500 5.210 5.210 5.210 . 0 0 "[ ]" 2 1340 1 94 LEU MD2 1 97 TYR QD . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 2 1341 1 94 LEU MD2 1 98 LEU H . . 7.500 4.251 4.251 4.251 . 0 0 "[ ]" 2 1342 1 94 LEU MD2 1 98 LEU HG . . 5.600 4.135 4.135 4.135 . 0 0 "[ ]" 2 1343 1 94 LEU MD2 1 98 LEU MD1 . . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 2 1344 1 95 ILE H 1 95 ILE HB . . 3.000 1.995 1.995 1.995 . 0 0 "[ ]" 2 1345 1 95 ILE H 1 95 ILE QG . . 3.800 3.040 3.040 3.040 . 0 0 "[ ]" 2 1346 1 95 ILE H 1 95 ILE MD . . 5.200 3.421 3.421 3.421 . 0 0 "[ ]" 2 1347 1 95 ILE H 1 96 ALA H . . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 2 1348 1 95 ILE H 1 96 ALA HA . . 5.100 5.162 5.162 5.162 0.062 1 0 "[ ]" 2 1349 1 95 ILE H 1 98 LEU MD1 . . 7.500 4.354 4.354 4.354 . 0 0 "[ ]" 2 1350 1 95 ILE HA 1 95 ILE QG . . 3.900 2.097 2.097 2.097 . 0 0 "[ ]" 2 1351 1 95 ILE HA 1 96 ALA H . . 4.200 3.549 3.549 3.549 . 0 0 "[ ]" 2 1352 1 95 ILE HA 1 97 TYR H . . 5.200 4.350 4.350 4.350 . 0 0 "[ ]" 2 1353 1 95 ILE HA 1 98 LEU H . . 3.700 3.336 3.336 3.336 . 0 0 "[ ]" 2 1354 1 95 ILE HA 1 98 LEU QB . . 3.800 2.567 2.567 2.567 . 0 0 "[ ]" 2 1355 1 95 ILE HA 1 98 LEU MD1 . . 4.100 3.396 3.396 3.396 . 0 0 "[ ]" 2 1356 1 95 ILE HA 1 98 LEU MD2 . . 6.800 5.206 5.206 5.206 . 0 0 "[ ]" 2 1357 1 95 ILE HA 1 99 LYS H . . 4.500 3.396 3.396 3.396 . 0 0 "[ ]" 2 1358 1 95 ILE HB 1 96 ALA H . . 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 2 1359 1 95 ILE MG 1 96 ALA H . . 7.300 2.951 2.951 2.951 . 0 0 "[ ]" 2 1360 1 95 ILE QG 1 98 LEU MD1 . . 6.800 3.895 3.895 3.895 . 0 0 "[ ]" 2 1361 1 95 ILE QG 1 96 ALA H . . 4.100 4.489 4.489 4.489 0.389 1 0 "[ ]" 2 1362 1 95 ILE QG 1 96 ALA HA . . 5.200 5.471 5.471 5.471 0.271 1 0 "[ ]" 2 1363 1 95 ILE MD 1 96 ALA H . . 7.100 4.944 4.944 4.944 . 0 0 "[ ]" 2 1364 1 95 ILE MD 1 98 LEU MD1 . . 7.300 5.041 5.041 5.041 . 0 0 "[ ]" 2 1365 1 96 ALA H 1 96 ALA HA . . 3.100 2.815 2.815 2.815 . 0 0 "[ ]" 2 1366 1 96 ALA H 1 96 ALA MB . . 3.300 2.308 2.308 2.308 . 0 0 "[ ]" 2 1367 1 96 ALA H 1 97 TYR H . . 4.200 2.656 2.656 2.656 . 0 0 "[ ]" 2 1368 1 96 ALA H 1 98 LEU H . . 4.400 4.400 4.400 4.400 . 0 0 "[ ]" 2 1369 1 96 ALA H 1 98 LEU MD1 . . 7.500 5.317 5.317 5.317 . 0 0 "[ ]" 2 1370 1 96 ALA HA 1 97 TYR H . . 3.700 3.542 3.542 3.542 . 0 0 "[ ]" 2 1371 1 96 ALA HA 1 99 LYS H . . 3.900 3.911 3.911 3.911 0.011 1 0 "[ ]" 2 1372 1 96 ALA HA 1 99 LYS QB . . 5.100 2.999 2.999 2.999 . 0 0 "[ ]" 2 1373 1 96 ALA HA 1 99 LYS QD . . 7.500 3.312 3.312 3.312 . 0 0 "[ ]" 2 1374 1 96 ALA MB 1 97 TYR H . . 3.300 2.593 2.593 2.593 . 0 0 "[ ]" 2 1375 1 97 TYR H 1 97 TYR HB2 . . 3.200 2.823 2.823 2.823 . 0 0 "[ ]" 2 1376 1 97 TYR H 1 97 TYR HB3 . . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2 1377 1 97 TYR H 1 97 TYR QD . . 4.500 4.030 4.030 4.030 . 0 0 "[ ]" 2 1378 1 97 TYR H 1 98 LEU H . . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 2 1379 1 97 TYR HA 1 97 TYR QD . . 4.100 2.653 2.653 2.653 . 0 0 "[ ]" 2 1380 1 97 TYR HA 1 98 LEU H . . 4.700 3.676 3.676 3.676 . 0 0 "[ ]" 2 1381 1 97 TYR HB2 1 98 LEU H . . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 2 1382 1 97 TYR HB3 1 98 LEU H . . 3.800 2.692 2.692 2.692 . 0 0 "[ ]" 2 1383 1 97 TYR QD 1 98 LEU H . . 4.000 2.755 2.755 2.755 . 0 0 "[ ]" 2 1384 1 97 TYR QD 1 98 LEU HA . . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 2 1385 1 97 TYR QD 1 98 LEU QB . . 3.500 3.892 3.892 3.892 0.392 1 0 "[ ]" 2 1386 1 97 TYR QD 1 98 LEU HG . . 4.000 2.120 2.120 2.120 . 0 0 "[ ]" 2 1387 1 97 TYR QD 1 98 LEU MD1 . . 6.500 2.810 2.810 2.810 . 0 0 "[ ]" 2 1388 1 97 TYR QD 1 98 LEU MD2 . . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 2 1389 1 97 TYR QD 1 99 LYS H . . 6.500 5.254 5.254 5.254 . 0 0 "[ ]" 2 1390 1 97 TYR QD 1 100 LYS HB3 . . 5.600 3.643 3.643 3.643 . 0 0 "[ ]" 2 1391 1 97 TYR QD 1 101 ALA MB . . 6.400 3.890 3.890 3.890 . 0 0 "[ ]" 2 1392 1 97 TYR HE2 1 98 LEU H . . 6.000 4.940 4.940 4.940 . 0 0 "[ ]" 2 1393 1 97 TYR HE2 1 98 LEU HA . . 6.000 4.456 4.456 4.456 . 0 0 "[ ]" 2 1394 1 97 TYR HE2 1 98 LEU HG . . 5.200 3.068 3.068 3.068 . 0 0 "[ ]" 2 1395 1 97 TYR HE2 1 98 LEU MD1 . . 7.500 3.683 3.683 3.683 . 0 0 "[ ]" 2 1396 1 97 TYR HE2 1 98 LEU MD2 . . 5.200 3.321 3.321 3.321 . 0 0 "[ ]" 2 1397 1 97 TYR HE2 1 101 ALA MB . . 5.100 4.085 4.085 4.085 . 0 0 "[ ]" 2 1398 1 97 TYR HE1 1 101 ALA MB . . 6.100 3.740 3.740 3.740 . 0 0 "[ ]" 2 1399 1 98 LEU H 1 98 LEU QB . . 2.900 2.189 2.189 2.189 . 0 0 "[ ]" 2 1400 1 98 LEU H 1 98 LEU HG . . 3.600 2.582 2.582 2.582 . 0 0 "[ ]" 2 1401 1 98 LEU H 1 98 LEU MD1 . . 4.900 2.750 2.750 2.750 . 0 0 "[ ]" 2 1402 1 98 LEU H 1 98 LEU MD2 . . 4.700 3.982 3.982 3.982 . 0 0 "[ ]" 2 1403 1 98 LEU H 1 99 LYS H . . 3.100 2.885 2.885 2.885 . 0 0 "[ ]" 2 1404 1 98 LEU HA 1 98 LEU MD2 . . 4.000 2.493 2.493 2.493 . 0 0 "[ ]" 2 1405 1 98 LEU HA 1 99 LYS H . . 4.600 3.569 3.569 3.569 . 0 0 "[ ]" 2 1406 1 98 LEU HA 1 100 LYS H . . 6.100 3.615 3.615 3.615 . 0 0 "[ ]" 2 1407 1 98 LEU HA 1 101 ALA H . . 3.900 2.801 2.801 2.801 . 0 0 "[ ]" 2 1408 1 98 LEU HA 1 101 ALA HA . . 5.700 4.789 4.789 4.789 . 0 0 "[ ]" 2 1409 1 98 LEU HA 1 101 ALA MB . . 4.100 2.293 2.293 2.293 . 0 0 "[ ]" 2 1410 1 98 LEU HA 1 102 THR H . . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 2 1411 1 98 LEU HA 1 102 THR MG . . 5.500 3.472 3.472 3.472 . 0 0 "[ ]" 2 1412 1 98 LEU QB 1 99 LYS H . . 3.200 2.902 2.902 2.902 . 0 0 "[ ]" 2 1413 1 98 LEU HG 1 100 LYS H . . 5.400 5.460 5.460 5.460 0.060 1 0 "[ ]" 2 1414 1 98 LEU MD1 1 99 LYS H . . 6.400 4.636 4.636 4.636 . 0 0 "[ ]" 2 1415 1 98 LEU MD2 1 99 LYS H . . 7.500 5.030 5.030 5.030 . 0 0 "[ ]" 2 1416 1 98 LEU MD2 1 101 ALA MB . . 6.400 2.723 2.723 2.723 . 0 0 "[ ]" 2 1417 1 99 LYS H 1 100 LYS H . . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 2 1418 1 99 LYS HA 1 99 LYS QD . . 4.900 4.145 4.145 4.145 . 0 0 "[ ]" 2 1419 1 99 LYS HA 1 100 LYS H . . 4.300 3.491 3.491 3.491 . 0 0 "[ ]" 2 1420 1 99 LYS HA 1 102 THR H . . 4.900 3.923 3.923 3.923 . 0 0 "[ ]" 2 1421 1 99 LYS HA 1 102 THR HG1 . . 5.500 4.809 4.809 4.809 . 0 0 "[ ]" 2 1422 1 99 LYS QB 1 100 LYS H . . 5.200 3.116 3.116 3.116 . 0 0 "[ ]" 2 1423 1 99 LYS QB 1 101 ALA H . . 5.700 5.080 5.080 5.080 . 0 0 "[ ]" 2 1424 1 99 LYS QG 1 102 THR HG1 . . 7.500 5.919 5.919 5.919 . 0 0 "[ ]" 2 1425 1 100 LYS H 1 100 LYS HB2 . . 3.200 2.552 2.552 2.552 . 0 0 "[ ]" 2 1426 1 100 LYS H 1 100 LYS HB3 . . 3.200 2.731 2.731 2.731 . 0 0 "[ ]" 2 1427 1 100 LYS H 1 100 LYS HG2 . . 5.300 4.761 4.761 4.761 . 0 0 "[ ]" 2 1428 1 100 LYS H 1 100 LYS HG3 . . 4.500 4.497 4.497 4.497 . 0 0 "[ ]" 2 1429 1 100 LYS H 1 101 ALA H . . 3.600 2.353 2.353 2.353 . 0 0 "[ ]" 2 1430 1 100 LYS HA 1 100 LYS HB2 . . 3.100 2.646 2.646 2.646 . 0 0 "[ ]" 2 1431 1 100 LYS HA 1 100 LYS HG2 . . 3.900 3.670 3.670 3.670 . 0 0 "[ ]" 2 1432 1 100 LYS HA 1 100 LYS HG3 . . 4.200 2.600 2.600 2.600 . 0 0 "[ ]" 2 1433 1 100 LYS HB2 1 101 ALA H . . 3.400 3.619 3.619 3.619 0.219 1 0 "[ ]" 2 1434 1 100 LYS HG3 1 101 ALA H . . 4.900 4.103 4.103 4.103 . 0 0 "[ ]" 2 1435 1 101 ALA H 1 101 ALA MB . . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 2 1436 1 101 ALA H 1 102 THR H . . 3.900 3.081 3.081 3.081 . 0 0 "[ ]" 2 1437 1 101 ALA HA 1 102 THR H . . 4.200 3.652 3.652 3.652 . 0 0 "[ ]" 2 1438 1 101 ALA HA 1 103 ASN H . . 3.900 3.848 3.848 3.848 . 0 0 "[ ]" 2 1439 1 101 ALA HA 1 104 GLU H . . 4.300 4.231 4.231 4.231 . 0 0 "[ ]" 2 1440 1 101 ALA MB 1 102 THR H . . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 2 1441 1 102 THR H 1 103 ASN H . . 4.200 3.342 3.342 3.342 . 0 0 "[ ]" 2 1442 1 102 THR H 1 104 GLU H . . 6.500 4.500 4.500 4.500 . 0 0 "[ ]" 2 1443 1 102 THR HA 1 103 ASN H . . 5.400 2.934 2.934 2.934 . 0 0 "[ ]" 2 1444 1 102 THR HG1 1 103 ASN HB2 . . 5.000 3.006 3.006 3.006 . 0 0 "[ ]" 2 1445 1 102 THR HG1 1 103 ASN HB3 . . 5.500 4.246 4.246 4.246 . 0 0 "[ ]" 2 1446 1 103 ASN H 1 103 ASN HB2 . . 3.900 3.441 3.441 3.441 . 0 0 "[ ]" 2 1447 1 103 ASN H 1 103 ASN HB3 . . 3.700 2.768 2.768 2.768 . 0 0 "[ ]" 2 1448 1 103 ASN H 1 104 GLU H . . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 2 1449 1 103 ASN H 1 104 GLU HA . . 6.500 4.182 4.182 4.182 . 0 0 "[ ]" 2 1450 1 103 ASN H 1 104 GLU QG . . 7.500 4.175 4.175 4.175 . 0 0 "[ ]" 2 1451 1 103 ASN HB2 1 104 GLU H . . 4.600 3.801 3.801 3.801 . 0 0 "[ ]" 2 1452 1 103 ASN HB3 1 104 GLU H . . 4.300 2.327 2.327 2.327 . 0 0 "[ ]" 2 1453 1 103 ASN HB3 1 104 GLU HA . . 5.400 4.166 4.166 4.166 . 0 0 "[ ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 28 _Distance_constraint_stats_list.Viol_count 2 _Distance_constraint_stats_list.Viol_total 0.071 _Distance_constraint_stats_list.Viol_max 0.042 _Distance_constraint_stats_list.Viol_rms 0.0096 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0025 _Distance_constraint_stats_list.Viol_average_violations_only 0.0356 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 6 GLY 0.000 0.000 . 0 "[ ]" 1 9 ILE 0.000 0.000 . 0 "[ ]" 1 10 PHE 0.029 0.029 1 0 "[ ]" 1 11 VAL 0.042 0.042 1 0 "[ ]" 1 13 LYS 0.029 0.029 1 0 "[ ]" 1 14 CYS 0.042 0.042 1 0 "[ ]" 1 60 LYS 0.000 0.000 . 0 "[ ]" 1 61 GLU 0.000 0.000 . 0 "[ ]" 1 64 LEU 0.000 0.000 . 0 "[ ]" 1 65 MET 0.000 0.000 . 0 "[ ]" 1 68 LEU 0.000 0.000 . 0 "[ ]" 1 89 THR 0.000 0.000 . 0 "[ ]" 1 90 GLU 0.000 0.000 . 0 "[ ]" 1 93 ASP 0.000 0.000 . 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 ILE 0.000 0.000 . 0 "[ ]" 1 97 TYR 0.000 0.000 . 0 "[ ]" 1 98 LEU 0.000 0.000 . 0 "[ ]" 1 99 LYS 0.000 0.000 . 0 "[ ]" 1 100 LYS 0.000 0.000 . 0 "[ ]" 1 101 ALA 0.000 0.000 . 0 "[ ]" 1 102 THR 0.000 0.000 . 0 "[ ]" 1 103 ASN 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 1 101 ALA O 1 103 ASN H . . 2.400 2.046 2.046 2.046 . 0 0 "[ ]" 3 2 1 101 ALA O 1 103 ASN N . . 3.400 2.868 2.868 2.868 . 0 0 "[ ]" 3 3 1 98 LEU O 1 102 THR H . . 2.400 1.958 1.958 1.958 . 0 0 "[ ]" 3 4 1 98 LEU O 1 102 THR N . . 3.400 2.963 2.963 2.963 . 0 0 "[ ]" 3 5 1 97 TYR O 1 101 ALA H . . 2.400 1.922 1.922 1.922 . 0 0 "[ ]" 3 6 1 97 TYR O 1 101 ALA N . . 3.400 2.899 2.899 2.899 . 0 0 "[ ]" 3 7 1 97 TYR O 1 100 LYS H . . 2.400 1.947 1.947 1.947 . 0 0 "[ ]" 3 8 1 97 TYR O 1 100 LYS N . . 3.400 2.805 2.805 2.805 . 0 0 "[ ]" 3 9 1 95 ILE O 1 99 LYS H . . 2.400 1.873 1.873 1.873 . 0 0 "[ ]" 3 10 1 95 ILE O 1 99 LYS N . . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 3 11 1 94 LEU O 1 98 LEU H . . 2.400 1.954 1.954 1.954 . 0 0 "[ ]" 3 12 1 94 LEU O 1 98 LEU N . . 3.400 2.954 2.954 2.954 . 0 0 "[ ]" 3 13 1 90 GLU O 1 94 LEU H . . 2.400 1.909 1.909 1.909 . 0 0 "[ ]" 3 14 1 90 GLU O 1 94 LEU N . . 3.400 2.875 2.875 2.875 . 0 0 "[ ]" 3 15 1 89 THR O 1 93 ASP H . . 2.400 1.964 1.964 1.964 . 0 0 "[ ]" 3 16 1 89 THR O 1 93 ASP N . . 3.400 2.882 2.882 2.882 . 0 0 "[ ]" 3 17 1 64 LEU O 1 68 LEU H . . 2.400 1.858 1.858 1.858 . 0 0 "[ ]" 3 18 1 64 LEU O 1 68 LEU N . . 3.400 2.754 2.754 2.754 . 0 0 "[ ]" 3 19 1 61 GLU O 1 65 MET H . . 2.400 1.924 1.924 1.924 . 0 0 "[ ]" 3 20 1 61 GLU O 1 65 MET N . . 3.400 2.885 2.885 2.885 . 0 0 "[ ]" 3 21 1 60 LYS O 1 64 LEU H . . 2.400 1.881 1.881 1.881 . 0 0 "[ ]" 3 22 1 60 LYS O 1 64 LEU N . . 3.400 2.842 2.842 2.842 . 0 0 "[ ]" 3 23 1 11 VAL O 1 14 CYS H . . 2.400 2.442 2.442 2.442 0.042 1 0 "[ ]" 3 24 1 11 VAL O 1 14 CYS N . . 3.400 2.984 2.984 2.984 . 0 0 "[ ]" 3 25 1 10 PHE O 1 13 LYS H . . 2.400 2.429 2.429 2.429 0.029 1 0 "[ ]" 3 26 1 10 PHE O 1 13 LYS N . . 3.400 3.022 3.022 3.022 . 0 0 "[ ]" 3 27 1 6 GLY O 1 9 ILE H . . 2.400 1.945 1.945 1.945 . 0 0 "[ ]" 3 28 1 6 GLY O 1 9 ILE N . . 3.400 2.935 2.935 2.935 . 0 0 "[ ]" 3 stop_ save_
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