NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
549571 | 2lvk | 18573 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvk 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 1921 _Distance_constraint_stats_list.Viol_count 2376 _Distance_constraint_stats_list.Viol_total 3963.916 _Distance_constraint_stats_list.Viol_max 0.674 _Distance_constraint_stats_list.Viol_rms 0.0340 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0052 _Distance_constraint_stats_list.Viol_average_violations_only 0.0834 _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 2 ASP 0.012 0.005 4 0 "[ . 1 . 2]" 1 3 ASP 0.199 0.031 15 0 "[ . 1 . 2]" 1 4 MET 0.753 0.056 20 0 "[ . 1 . 2]" 1 5 GLU 0.157 0.018 9 0 "[ . 1 . 2]" 1 6 ARG 0.283 0.031 15 0 "[ . 1 . 2]" 1 7 ILE 0.976 0.044 20 0 "[ . 1 . 2]" 1 8 PHE 0.640 0.056 20 0 "[ . 1 . 2]" 1 9 LYS 0.195 0.032 1 0 "[ . 1 . 2]" 1 10 ARG 1.413 0.062 8 0 "[ . 1 . 2]" 1 11 PHE 3.318 0.117 15 0 "[ . 1 . 2]" 1 12 ASP 4.664 0.203 8 0 "[ . 1 . 2]" 1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 ASN 8.273 0.231 16 0 "[ . 1 . 2]" 1 15 GLY 0.323 0.044 14 0 "[ . 1 . 2]" 1 16 ASP 9.921 0.466 13 0 "[ . 1 . 2]" 1 17 GLY 1.363 0.071 13 0 "[ . 1 . 2]" 1 18 LYS 5.206 0.128 3 0 "[ . 1 . 2]" 1 19 ILE 10.730 0.203 8 0 "[ . 1 . 2]" 1 20 SER 4.691 0.164 12 0 "[ . 1 . 2]" 1 21 LEU 4.568 0.161 9 0 "[ . 1 . 2]" 1 22 SER 0.166 0.081 3 0 "[ . 1 . 2]" 1 23 GLU 4.898 0.155 6 0 "[ . 1 . 2]" 1 24 LEU 1.692 0.127 3 0 "[ . 1 . 2]" 1 25 THR 2.847 0.157 2 0 "[ . 1 . 2]" 1 26 ASP 1.765 0.123 17 0 "[ . 1 . 2]" 1 27 ALA 3.576 0.160 14 0 "[ . 1 . 2]" 1 28 LEU 5.368 0.317 2 0 "[ . 1 . 2]" 1 29 ARG 4.511 0.230 13 0 "[ . 1 . 2]" 1 30 THR 1.441 0.382 3 0 "[ . 1 . 2]" 1 31 LEU 11.097 0.189 20 0 "[ . 1 . 2]" 1 32 GLY 1.190 0.078 4 0 "[ . 1 . 2]" 1 33 SER 0.877 0.382 3 0 "[ . 1 . 2]" 1 34 THR 8.098 0.317 2 0 "[ . 1 . 2]" 1 35 SER 2.346 0.147 5 0 "[ . 1 . 2]" 1 36 ALA 3.598 0.093 13 0 "[ . 1 . 2]" 1 37 ASP 0.762 0.058 12 0 "[ . 1 . 2]" 1 38 GLU 1.098 0.122 3 0 "[ . 1 . 2]" 1 39 VAL 4.384 0.147 5 0 "[ . 1 . 2]" 1 40 GLN 3.928 0.123 20 0 "[ . 1 . 2]" 1 41 ARG 2.859 0.123 20 0 "[ . 1 . 2]" 1 42 MET 3.323 0.081 4 0 "[ . 1 . 2]" 1 43 MET 4.308 0.161 9 0 "[ . 1 . 2]" 1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 GLU 0.356 0.028 8 0 "[ . 1 . 2]" 1 46 ILE 3.290 0.134 12 0 "[ . 1 . 2]" 1 47 ASP 4.219 0.202 17 0 "[ . 1 . 2]" 1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 ASP 19.144 0.282 17 0 "[ . 1 . 2]" 1 50 GLY 13.362 0.417 6 0 "[ . 1 . 2]" 1 51 ASP 11.482 0.417 6 0 "[ . 1 . 2]" 1 52 GLY 2.334 0.080 3 0 "[ . 1 . 2]" 1 53 PHE 4.345 0.149 3 0 "[ . 1 . 2]" 1 54 ILE 1.136 0.093 3 0 "[ . 1 . 2]" 1 55 ASP 2.176 0.128 3 0 "[ . 1 . 2]" 1 56 PHE 1.907 0.078 14 0 "[ . 1 . 2]" 1 57 ASN 3.179 0.078 14 0 "[ . 1 . 2]" 1 58 GLU 0.310 0.028 17 0 "[ . 1 . 2]" 1 59 PHE 2.823 0.093 3 0 "[ . 1 . 2]" 1 60 ILE 1.471 0.052 14 0 "[ . 1 . 2]" 1 61 SER 1.770 0.066 8 0 "[ . 1 . 2]" 1 62 PHE 3.296 0.081 4 0 "[ . 1 . 2]" 1 63 CYS 4.477 0.134 12 0 "[ . 1 . 2]" 1 64 ASN 1.791 0.044 4 0 "[ . 1 . 2]" 1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 ASN 2.731 0.096 4 0 "[ . 1 . 2]" 1 67 PRO 5.353 0.125 2 0 "[ . 1 . 2]" 1 68 GLY 1.944 0.105 20 0 "[ . 1 . 2]" 1 69 LEU 9.105 0.301 16 0 "[ . 1 . 2]" 1 70 MET 22.982 0.498 14 0 "[ . 1 . 2]" 1 71 LYS 15.653 0.477 15 0 "[ . 1 . 2]" 1 72 ASP 7.241 0.305 10 0 "[ . 1 . 2]" 1 73 VAL 43.659 0.674 10 20 [*********+*********-] 1 74 ALA 16.398 0.674 10 20 [*********+*********-] 1 75 LYS 10.258 0.279 10 0 "[ . 1 . 2]" 1 76 VAL 2.862 0.109 8 0 "[ . 1 . 2]" 1 77 PHE 11.006 0.189 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP HA 1 3 ASP HA . . 5.440 4.499 4.355 4.702 . 0 0 "[ . 1 . 2]" 1 2 1 2 ASP HA 1 4 MET H . . 3.800 3.577 3.170 3.805 0.005 4 0 "[ . 1 . 2]" 1 3 1 2 ASP HA 1 5 GLU H . . 4.420 4.069 3.391 4.423 0.003 18 0 "[ . 1 . 2]" 1 4 1 2 ASP QB 1 5 GLU H . . 4.280 3.002 2.384 4.010 . 0 0 "[ . 1 . 2]" 1 5 1 2 ASP HB2 1 5 GLU H . . 4.880 4.062 3.033 4.879 . 0 0 "[ . 1 . 2]" 1 6 1 2 ASP HB2 1 5 GLU HB2 . . 5.500 3.437 2.323 4.815 . 0 0 "[ . 1 . 2]" 1 7 1 2 ASP HB2 1 5 GLU HB3 . . 5.500 3.485 2.975 3.961 . 0 0 "[ . 1 . 2]" 1 8 1 2 ASP HB2 1 6 ARG H . . 5.500 5.281 4.920 5.504 0.004 2 0 "[ . 1 . 2]" 1 9 1 2 ASP HB3 1 5 GLU H . . 4.880 3.111 2.420 4.268 . 0 0 "[ . 1 . 2]" 1 10 1 2 ASP HB3 1 5 GLU HB2 . . 5.500 2.970 2.292 3.599 . 0 0 "[ . 1 . 2]" 1 11 1 2 ASP HB3 1 5 GLU HB3 . . 5.500 3.280 1.998 4.188 . 0 0 "[ . 1 . 2]" 1 12 1 2 ASP HB3 1 6 ARG H . . 5.500 4.945 3.752 5.389 . 0 0 "[ . 1 . 2]" 1 13 1 3 ASP H 1 3 ASP HB2 . . 3.740 2.988 2.233 3.596 . 0 0 "[ . 1 . 2]" 1 14 1 3 ASP H 1 3 ASP QB . . 3.260 2.596 2.178 2.715 . 0 0 "[ . 1 . 2]" 1 15 1 3 ASP H 1 3 ASP HB3 . . 3.740 3.213 2.547 3.608 . 0 0 "[ . 1 . 2]" 1 16 1 3 ASP H 1 6 ARG H . . 5.500 5.478 5.292 5.531 0.031 15 0 "[ . 1 . 2]" 1 17 1 3 ASP HA 1 4 MET HA . . 4.830 4.797 4.742 4.841 0.011 19 0 "[ . 1 . 2]" 1 18 1 3 ASP HA 1 6 ARG H . . 4.110 3.648 3.485 3.852 . 0 0 "[ . 1 . 2]" 1 19 1 3 ASP HA 1 6 ARG HB3 . . 4.830 4.734 4.542 4.843 0.013 12 0 "[ . 1 . 2]" 1 20 1 3 ASP HA 1 6 ARG HG3 . . 5.500 3.471 3.310 3.688 . 0 0 "[ . 1 . 2]" 1 21 1 3 ASP QB 1 4 MET H . . 3.890 3.009 2.596 3.580 . 0 0 "[ . 1 . 2]" 1 22 1 3 ASP QB 1 6 ARG H . . 5.340 5.081 4.833 5.307 . 0 0 "[ . 1 . 2]" 1 23 1 3 ASP QB 1 7 ILE MD . . 3.700 2.332 2.007 2.964 . 0 0 "[ . 1 . 2]" 1 24 1 3 ASP QB 1 74 ALA MB . . 5.340 2.862 2.501 3.393 . 0 0 "[ . 1 . 2]" 1 25 1 3 ASP HB2 1 4 MET H . . 4.580 3.216 2.633 3.948 . 0 0 "[ . 1 . 2]" 1 26 1 3 ASP HB2 1 7 ILE MD . . 4.230 2.811 2.053 3.619 . 0 0 "[ . 1 . 2]" 1 27 1 3 ASP HB2 1 7 ILE HG13 . . 5.500 4.731 3.686 5.509 0.009 2 0 "[ . 1 . 2]" 1 28 1 3 ASP HB2 1 74 ALA MB . . 5.500 3.464 2.675 4.260 . 0 0 "[ . 1 . 2]" 1 29 1 3 ASP HB3 1 4 MET H . . 4.580 3.923 2.896 4.188 . 0 0 "[ . 1 . 2]" 1 30 1 3 ASP HB3 1 7 ILE MD . . 4.230 2.962 2.106 3.798 . 0 0 "[ . 1 . 2]" 1 31 1 3 ASP HB3 1 7 ILE HG13 . . 5.500 4.684 3.650 5.509 0.009 7 0 "[ . 1 . 2]" 1 32 1 3 ASP HB3 1 74 ALA MB . . 5.500 3.324 2.591 3.959 . 0 0 "[ . 1 . 2]" 1 33 1 4 MET H 1 4 MET HB2 . . 3.540 2.501 2.379 2.572 . 0 0 "[ . 1 . 2]" 1 34 1 4 MET H 1 4 MET HB3 . . 3.760 3.590 3.578 3.598 . 0 0 "[ . 1 . 2]" 1 35 1 4 MET H 1 4 MET ME . . 5.500 4.697 4.633 4.800 . 0 0 "[ . 1 . 2]" 1 36 1 4 MET H 1 4 MET HG2 . . 3.570 2.169 2.016 2.434 . 0 0 "[ . 1 . 2]" 1 37 1 4 MET H 1 4 MET HG3 . . 3.730 3.509 3.420 3.644 . 0 0 "[ . 1 . 2]" 1 38 1 4 MET H 1 6 ARG H . . 5.120 4.728 4.469 4.918 . 0 0 "[ . 1 . 2]" 1 39 1 4 MET H 1 6 ARG HG3 . . 5.500 5.475 5.322 5.517 0.017 4 0 "[ . 1 . 2]" 1 40 1 4 MET H 1 7 ILE MD . . 5.500 3.821 3.536 4.172 . 0 0 "[ . 1 . 2]" 1 41 1 4 MET HA 1 4 MET HB3 . . 2.540 2.475 2.441 2.531 . 0 0 "[ . 1 . 2]" 1 42 1 4 MET HA 1 4 MET ME . . 4.300 3.447 3.368 3.594 . 0 0 "[ . 1 . 2]" 1 43 1 4 MET HA 1 4 MET HG2 . . 3.200 2.948 2.848 2.991 . 0 0 "[ . 1 . 2]" 1 44 1 4 MET HA 1 7 ILE H . . 3.630 3.504 3.314 3.651 0.021 2 0 "[ . 1 . 2]" 1 45 1 4 MET HA 1 7 ILE HB . . 3.300 2.421 2.224 2.670 . 0 0 "[ . 1 . 2]" 1 46 1 4 MET HA 1 7 ILE MD . . 5.020 2.372 2.245 2.461 . 0 0 "[ . 1 . 2]" 1 47 1 4 MET HA 1 7 ILE HG12 . . 5.500 4.870 4.718 5.087 . 0 0 "[ . 1 . 2]" 1 48 1 4 MET HA 1 7 ILE HG13 . . 4.560 4.096 3.870 4.407 . 0 0 "[ . 1 . 2]" 1 49 1 4 MET HA 1 7 ILE MG . . 4.970 3.766 3.562 3.986 . 0 0 "[ . 1 . 2]" 1 50 1 4 MET HA 1 8 PHE H . . 4.040 3.704 3.522 3.917 . 0 0 "[ . 1 . 2]" 1 51 1 4 MET HA 1 60 ILE MD . . 5.500 5.178 5.156 5.190 . 0 0 "[ . 1 . 2]" 1 52 1 4 MET HB2 1 4 MET HG2 . . 2.990 2.518 2.490 2.547 . 0 0 "[ . 1 . 2]" 1 53 1 4 MET HB2 1 5 GLU H . . 5.040 3.037 3.000 3.107 . 0 0 "[ . 1 . 2]" 1 54 1 4 MET HB2 1 5 GLU HA . . 4.700 4.331 4.263 4.455 . 0 0 "[ . 1 . 2]" 1 55 1 4 MET HB2 1 5 GLU HB3 . . 5.450 5.275 5.216 5.346 . 0 0 "[ . 1 . 2]" 1 56 1 4 MET HB2 1 56 PHE HE1 . . 4.300 3.133 3.039 3.238 . 0 0 "[ . 1 . 2]" 1 57 1 4 MET HB2 1 60 ILE MD . . 3.850 2.739 2.673 2.782 . 0 0 "[ . 1 . 2]" 1 58 1 4 MET HB2 1 60 ILE MG . . 5.500 4.080 4.013 4.123 . 0 0 "[ . 1 . 2]" 1 59 1 4 MET HB3 1 7 ILE MD . . 4.870 4.502 4.316 4.634 . 0 0 "[ . 1 . 2]" 1 60 1 4 MET HB3 1 8 PHE H . . 4.820 4.612 4.518 4.774 . 0 0 "[ . 1 . 2]" 1 61 1 4 MET HB3 1 8 PHE HA . . 5.500 5.527 5.512 5.556 0.056 20 0 "[ . 1 . 2]" 1 62 1 4 MET HB3 1 8 PHE HB2 . . 5.500 3.885 3.809 3.956 . 0 0 "[ . 1 . 2]" 1 63 1 4 MET HB3 1 56 PHE HE1 . . 4.050 3.515 3.255 3.694 . 0 0 "[ . 1 . 2]" 1 64 1 4 MET HB3 1 60 ILE MD . . 3.420 3.202 3.153 3.276 . 0 0 "[ . 1 . 2]" 1 65 1 4 MET HB3 1 60 ILE HG12 . . 3.970 3.043 2.990 3.110 . 0 0 "[ . 1 . 2]" 1 66 1 4 MET HB3 1 60 ILE HG13 . . 4.520 4.475 4.424 4.523 0.003 4 0 "[ . 1 . 2]" 1 67 1 4 MET HB3 1 60 ILE MG . . 4.610 4.085 4.004 4.158 . 0 0 "[ . 1 . 2]" 1 68 1 4 MET ME 1 59 PHE HB3 . . 5.500 3.286 3.187 3.341 . 0 0 "[ . 1 . 2]" 1 69 1 4 MET ME 1 60 ILE HA . . 3.390 2.073 2.024 2.094 . 0 0 "[ . 1 . 2]" 1 70 1 4 MET ME 1 60 ILE MD . . 3.940 3.278 3.212 3.337 . 0 0 "[ . 1 . 2]" 1 71 1 4 MET ME 1 60 ILE HG12 . . 4.640 2.102 2.006 2.160 . 0 0 "[ . 1 . 2]" 1 72 1 4 MET ME 1 60 ILE HG13 . . 5.500 3.403 3.325 3.451 . 0 0 "[ . 1 . 2]" 1 73 1 4 MET ME 1 60 ILE MG . . 3.500 2.501 2.388 2.604 . 0 0 "[ . 1 . 2]" 1 74 1 4 MET ME 1 61 SER H . . 5.500 4.973 4.923 5.000 . 0 0 "[ . 1 . 2]" 1 75 1 4 MET ME 1 63 CYS H . . 5.500 4.210 4.149 4.251 . 0 0 "[ . 1 . 2]" 1 76 1 4 MET ME 1 63 CYS HB2 . . 3.510 2.877 2.805 2.935 . 0 0 "[ . 1 . 2]" 1 77 1 4 MET ME 1 64 ASN H . . 4.780 4.260 4.197 4.288 . 0 0 "[ . 1 . 2]" 1 78 1 4 MET ME 1 64 ASN HA . . 5.390 5.025 4.951 5.068 . 0 0 "[ . 1 . 2]" 1 79 1 4 MET HG2 1 7 ILE MD . . 5.500 3.950 3.755 4.214 . 0 0 "[ . 1 . 2]" 1 80 1 4 MET HG2 1 56 PHE HE1 . . 5.500 5.454 5.319 5.512 0.012 2 0 "[ . 1 . 2]" 1 81 1 4 MET HG2 1 60 ILE MD . . 4.250 4.047 4.007 4.061 . 0 0 "[ . 1 . 2]" 1 82 1 4 MET HG2 1 60 ILE HG12 . . 5.240 4.509 4.444 4.566 . 0 0 "[ . 1 . 2]" 1 83 1 4 MET HG2 1 60 ILE MG . . 4.310 3.762 3.667 3.842 . 0 0 "[ . 1 . 2]" 1 84 1 4 MET HG3 1 56 PHE HE1 . . 5.500 4.446 4.298 4.511 . 0 0 "[ . 1 . 2]" 1 85 1 4 MET HG3 1 60 ILE HB . . 5.500 4.929 4.845 4.993 . 0 0 "[ . 1 . 2]" 1 86 1 4 MET HG3 1 60 ILE MD . . 5.030 2.763 2.734 2.795 . 0 0 "[ . 1 . 2]" 1 87 1 4 MET HG3 1 60 ILE HG12 . . 5.460 2.840 2.759 2.909 . 0 0 "[ . 1 . 2]" 1 88 1 4 MET HG3 1 60 ILE HG13 . . 5.500 4.510 4.446 4.568 . 0 0 "[ . 1 . 2]" 1 89 1 4 MET HG3 1 60 ILE MG . . 5.160 2.326 2.223 2.400 . 0 0 "[ . 1 . 2]" 1 90 1 5 GLU H 1 5 GLU HB2 . . 3.870 2.650 2.617 2.688 . 0 0 "[ . 1 . 2]" 1 91 1 5 GLU H 1 5 GLU HB3 . . 2.430 2.412 2.378 2.447 0.017 1 0 "[ . 1 . 2]" 1 92 1 5 GLU H 1 5 GLU HG3 . . 4.630 4.498 4.461 4.529 . 0 0 "[ . 1 . 2]" 1 93 1 5 GLU H 1 6 ARG H . . 3.470 2.790 2.685 2.871 . 0 0 "[ . 1 . 2]" 1 94 1 5 GLU H 1 6 ARG HA . . 5.500 5.353 5.290 5.400 . 0 0 "[ . 1 . 2]" 1 95 1 5 GLU H 1 6 ARG HG2 . . 4.560 3.912 3.765 4.052 . 0 0 "[ . 1 . 2]" 1 96 1 5 GLU H 1 7 ILE H . . 5.500 3.919 3.827 3.994 . 0 0 "[ . 1 . 2]" 1 97 1 5 GLU HA 1 5 GLU HG2 . . 3.870 3.283 3.209 3.514 . 0 0 "[ . 1 . 2]" 1 98 1 5 GLU HA 1 5 GLU HG3 . . 2.790 2.609 2.535 2.696 . 0 0 "[ . 1 . 2]" 1 99 1 5 GLU HA 1 8 PHE H . . 4.480 3.615 3.365 3.779 . 0 0 "[ . 1 . 2]" 1 100 1 5 GLU HA 1 8 PHE HB3 . . 3.920 2.914 2.510 3.227 . 0 0 "[ . 1 . 2]" 1 101 1 5 GLU HA 1 9 LYS HD3 . . 5.060 4.610 4.494 4.675 . 0 0 "[ . 1 . 2]" 1 102 1 5 GLU HA 1 56 PHE HD2 . . 5.130 4.677 4.446 4.856 . 0 0 "[ . 1 . 2]" 1 103 1 5 GLU HA 1 56 PHE HE2 . . 3.020 2.242 2.006 2.422 . 0 0 "[ . 1 . 2]" 1 104 1 5 GLU HB2 1 56 PHE HE2 . . 4.630 4.179 3.715 4.396 . 0 0 "[ . 1 . 2]" 1 105 1 5 GLU HB3 1 6 ARG H . . 3.000 2.316 2.175 2.527 . 0 0 "[ . 1 . 2]" 1 106 1 5 GLU HB3 1 8 PHE H . . 5.500 5.413 5.204 5.518 0.018 9 0 "[ . 1 . 2]" 1 107 1 5 GLU HG2 1 6 ARG H . . 3.400 3.170 2.934 3.392 . 0 0 "[ . 1 . 2]" 1 108 1 5 GLU HG2 1 8 PHE HB3 . . 5.270 5.101 4.638 5.278 0.008 10 0 "[ . 1 . 2]" 1 109 1 5 GLU HG2 1 9 LYS HG2 . . 5.500 4.167 3.833 4.342 . 0 0 "[ . 1 . 2]" 1 110 1 5 GLU HG3 1 6 ARG H . . 5.090 4.286 3.907 4.469 . 0 0 "[ . 1 . 2]" 1 111 1 5 GLU HG3 1 8 PHE HB3 . . 5.190 4.555 4.018 5.008 . 0 0 "[ . 1 . 2]" 1 112 1 5 GLU HG3 1 9 LYS HG2 . . 5.080 4.831 4.118 5.087 0.007 19 0 "[ . 1 . 2]" 1 113 1 5 GLU HG3 1 56 PHE HE2 . . 4.540 3.591 3.091 3.917 . 0 0 "[ . 1 . 2]" 1 114 1 6 ARG H 1 6 ARG HB3 . . 2.820 2.717 2.676 2.740 . 0 0 "[ . 1 . 2]" 1 115 1 6 ARG H 1 6 ARG HD2 . . 4.830 4.358 4.071 4.643 . 0 0 "[ . 1 . 2]" 1 116 1 6 ARG H 1 6 ARG QD . . 4.210 3.902 3.747 4.039 . 0 0 "[ . 1 . 2]" 1 117 1 6 ARG H 1 6 ARG HD3 . . 4.830 4.423 4.023 4.653 . 0 0 "[ . 1 . 2]" 1 118 1 6 ARG H 1 6 ARG HG2 . . 3.650 1.963 1.932 2.018 . 0 0 "[ . 1 . 2]" 1 119 1 6 ARG H 1 6 ARG HG3 . . 3.960 2.866 2.772 3.005 . 0 0 "[ . 1 . 2]" 1 120 1 6 ARG H 1 9 LYS HD3 . . 5.500 5.481 5.400 5.509 0.009 8 0 "[ . 1 . 2]" 1 121 1 6 ARG HA 1 6 ARG HG2 . . 3.850 3.737 3.701 3.776 . 0 0 "[ . 1 . 2]" 1 122 1 6 ARG HA 1 7 ILE HG13 . . 5.500 5.220 5.135 5.280 . 0 0 "[ . 1 . 2]" 1 123 1 6 ARG HA 1 9 LYS HG2 . . 3.500 2.293 2.138 2.493 . 0 0 "[ . 1 . 2]" 1 124 1 6 ARG HA 1 9 LYS HG3 . . 3.210 2.880 2.672 3.143 . 0 0 "[ . 1 . 2]" 1 125 1 6 ARG HB2 1 6 ARG QD . . 3.660 2.490 2.200 2.923 . 0 0 "[ . 1 . 2]" 1 126 1 6 ARG HB2 1 6 ARG HG3 . . 2.820 2.502 2.466 2.539 . 0 0 "[ . 1 . 2]" 1 127 1 6 ARG HB3 1 6 ARG HG2 . . 2.550 2.387 2.355 2.419 . 0 0 "[ . 1 . 2]" 1 128 1 6 ARG QD 1 7 ILE H . . 5.340 4.038 3.831 4.236 . 0 0 "[ . 1 . 2]" 1 129 1 6 ARG QD 1 7 ILE MD . . 5.340 3.768 3.372 4.097 . 0 0 "[ . 1 . 2]" 1 130 1 6 ARG QD 1 7 ILE HG13 . . 4.700 3.473 3.016 3.796 . 0 0 "[ . 1 . 2]" 1 131 1 6 ARG QD 1 74 ALA HA . . 5.340 5.023 4.552 5.334 . 0 0 "[ . 1 . 2]" 1 132 1 6 ARG HD2 1 7 ILE HG13 . . 5.500 4.102 3.078 4.913 . 0 0 "[ . 1 . 2]" 1 133 1 6 ARG HD3 1 7 ILE HG13 . . 5.500 4.014 3.644 4.833 . 0 0 "[ . 1 . 2]" 1 134 1 6 ARG HG2 1 7 ILE HA . . 5.500 5.240 5.140 5.438 . 0 0 "[ . 1 . 2]" 1 135 1 6 ARG HG2 1 7 ILE HG13 . . 3.850 3.653 3.521 3.852 0.002 8 0 "[ . 1 . 2]" 1 136 1 6 ARG HG3 1 7 ILE H . . 4.180 2.054 1.949 2.119 . 0 0 "[ . 1 . 2]" 1 137 1 6 ARG HG3 1 7 ILE HA . . 5.500 3.647 3.571 3.812 . 0 0 "[ . 1 . 2]" 1 138 1 6 ARG HG3 1 8 PHE H . . 4.670 4.583 4.445 4.671 0.001 12 0 "[ . 1 . 2]" 1 139 1 7 ILE H 1 7 ILE HB . . 2.900 2.483 2.465 2.499 . 0 0 "[ . 1 . 2]" 1 140 1 7 ILE H 1 7 ILE MD . . 4.110 3.252 3.137 3.343 . 0 0 "[ . 1 . 2]" 1 141 1 7 ILE H 1 7 ILE HG12 . . 3.850 3.725 3.653 3.801 . 0 0 "[ . 1 . 2]" 1 142 1 7 ILE H 1 7 ILE HG13 . . 3.120 2.270 2.209 2.343 . 0 0 "[ . 1 . 2]" 1 143 1 7 ILE H 1 8 PHE H . . 2.870 2.558 2.480 2.624 . 0 0 "[ . 1 . 2]" 1 144 1 7 ILE H 1 8 PHE HA . . 5.500 5.169 5.095 5.228 . 0 0 "[ . 1 . 2]" 1 145 1 7 ILE H 1 8 PHE HB3 . . 5.270 4.736 4.587 4.858 . 0 0 "[ . 1 . 2]" 1 146 1 7 ILE H 1 10 ARG HG2 . . 5.500 5.220 4.981 5.387 . 0 0 "[ . 1 . 2]" 1 147 1 7 ILE HA 1 7 ILE HG12 . . 3.180 2.767 2.694 2.846 . 0 0 "[ . 1 . 2]" 1 148 1 7 ILE HA 1 7 ILE HG13 . . 3.060 2.690 2.610 2.750 . 0 0 "[ . 1 . 2]" 1 149 1 7 ILE HA 1 7 ILE MG . . 3.130 2.337 2.315 2.352 . 0 0 "[ . 1 . 2]" 1 150 1 7 ILE HA 1 9 LYS H . . 4.610 3.878 3.799 4.005 . 0 0 "[ . 1 . 2]" 1 151 1 7 ILE HA 1 10 ARG H . . 3.830 3.548 3.409 3.632 . 0 0 "[ . 1 . 2]" 1 152 1 7 ILE HA 1 10 ARG HB2 . . 4.200 3.859 3.641 3.994 . 0 0 "[ . 1 . 2]" 1 153 1 7 ILE HA 1 10 ARG QD . . 5.340 4.499 4.128 4.907 . 0 0 "[ . 1 . 2]" 1 154 1 7 ILE HA 1 10 ARG HG2 . . 3.900 2.818 2.564 3.033 . 0 0 "[ . 1 . 2]" 1 155 1 7 ILE HA 1 11 PHE H . . 5.380 4.794 4.634 4.894 . 0 0 "[ . 1 . 2]" 1 156 1 7 ILE HA 1 77 PHE HA . . 5.500 4.579 4.471 4.657 . 0 0 "[ . 1 . 2]" 1 157 1 7 ILE HA 1 77 PHE HB2 . . 5.030 5.023 4.917 5.061 0.031 15 0 "[ . 1 . 2]" 1 158 1 7 ILE HA 1 77 PHE HB3 . . 3.540 3.525 3.272 3.572 0.032 12 0 "[ . 1 . 2]" 1 159 1 7 ILE HA 1 77 PHE HD2 . . 5.500 5.074 4.465 5.210 . 0 0 "[ . 1 . 2]" 1 160 1 7 ILE HB 1 7 ILE MD . . 2.400 2.127 2.087 2.166 . 0 0 "[ . 1 . 2]" 1 161 1 7 ILE HB 1 7 ILE HG13 . . 2.850 2.633 2.596 2.678 . 0 0 "[ . 1 . 2]" 1 162 1 7 ILE HB 1 8 PHE H . . 3.090 2.755 2.640 2.852 . 0 0 "[ . 1 . 2]" 1 163 1 7 ILE HB 1 8 PHE HA . . 4.940 4.279 4.253 4.298 . 0 0 "[ . 1 . 2]" 1 164 1 7 ILE HB 1 8 PHE HB2 . . 5.500 4.498 4.392 4.606 . 0 0 "[ . 1 . 2]" 1 165 1 7 ILE HB 1 8 PHE HB3 . . 5.500 5.106 4.990 5.282 . 0 0 "[ . 1 . 2]" 1 166 1 7 ILE HB 1 10 ARG H . . 5.500 5.458 5.393 5.505 0.005 8 0 "[ . 1 . 2]" 1 167 1 7 ILE MD 1 8 PHE H . . 5.500 4.402 4.355 4.439 . 0 0 "[ . 1 . 2]" 1 168 1 7 ILE MD 1 70 MET HA . . 5.500 4.167 4.055 4.294 . 0 0 "[ . 1 . 2]" 1 169 1 7 ILE MD 1 73 VAL H . . 5.500 5.129 5.065 5.179 . 0 0 "[ . 1 . 2]" 1 170 1 7 ILE MD 1 73 VAL HA . . 5.500 5.168 5.082 5.182 . 0 0 "[ . 1 . 2]" 1 171 1 7 ILE MD 1 73 VAL HB . . 5.500 5.006 4.907 5.053 . 0 0 "[ . 1 . 2]" 1 172 1 7 ILE MD 1 74 ALA H . . 4.220 3.346 3.262 3.458 . 0 0 "[ . 1 . 2]" 1 173 1 7 ILE MD 1 74 ALA HA . . 3.630 2.287 2.208 2.395 . 0 0 "[ . 1 . 2]" 1 174 1 7 ILE MD 1 74 ALA MB . . 4.070 2.002 1.875 2.256 . 0 0 "[ . 1 . 2]" 1 175 1 7 ILE MD 1 77 PHE HB2 . . 5.500 4.781 4.532 4.861 . 0 0 "[ . 1 . 2]" 1 176 1 7 ILE MD 1 77 PHE HB3 . . 5.500 4.585 4.206 4.702 . 0 0 "[ . 1 . 2]" 1 177 1 7 ILE HG12 1 8 PHE H . . 5.260 5.172 5.098 5.231 . 0 0 "[ . 1 . 2]" 1 178 1 7 ILE HG12 1 74 ALA HA . . 4.450 2.495 2.342 2.816 . 0 0 "[ . 1 . 2]" 1 179 1 7 ILE HG12 1 76 VAL H . . 5.500 5.524 5.507 5.544 0.044 20 0 "[ . 1 . 2]" 1 180 1 7 ILE HG12 1 77 PHE HB2 . . 4.330 4.035 3.668 4.216 . 0 0 "[ . 1 . 2]" 1 181 1 7 ILE HG12 1 77 PHE HB3 . . 4.120 3.445 2.872 3.695 . 0 0 "[ . 1 . 2]" 1 182 1 7 ILE HG13 1 7 ILE MG . . 3.480 3.153 3.131 3.168 . 0 0 "[ . 1 . 2]" 1 183 1 7 ILE HG13 1 8 PHE H . . 4.600 4.347 4.306 4.391 . 0 0 "[ . 1 . 2]" 1 184 1 7 ILE HG13 1 74 ALA HA . . 4.320 3.549 3.461 3.702 . 0 0 "[ . 1 . 2]" 1 185 1 7 ILE HG13 1 77 PHE HB3 . . 5.500 4.875 4.303 5.146 . 0 0 "[ . 1 . 2]" 1 186 1 7 ILE MG 1 8 PHE H . . 4.100 3.537 3.448 3.640 . 0 0 "[ . 1 . 2]" 1 187 1 7 ILE MG 1 8 PHE HA . . 4.800 3.553 3.501 3.622 . 0 0 "[ . 1 . 2]" 1 188 1 7 ILE MG 1 9 LYS H . . 5.500 4.670 4.615 4.752 . 0 0 "[ . 1 . 2]" 1 189 1 7 ILE MG 1 10 ARG H . . 4.590 3.988 3.928 4.073 . 0 0 "[ . 1 . 2]" 1 190 1 7 ILE MG 1 10 ARG HB2 . . 3.830 3.259 3.094 3.392 . 0 0 "[ . 1 . 2]" 1 191 1 7 ILE MG 1 11 PHE H . . 5.330 3.735 3.632 3.838 . 0 0 "[ . 1 . 2]" 1 192 1 7 ILE MG 1 74 ALA HA . . 5.240 3.719 3.538 4.051 . 0 0 "[ . 1 . 2]" 1 193 1 7 ILE MG 1 77 PHE HB2 . . 4.200 3.270 3.198 3.322 . 0 0 "[ . 1 . 2]" 1 194 1 7 ILE MG 1 77 PHE HB3 . . 3.580 2.249 2.092 2.331 . 0 0 "[ . 1 . 2]" 1 195 1 8 PHE H 1 8 PHE HB2 . . 3.340 2.585 2.453 2.699 . 0 0 "[ . 1 . 2]" 1 196 1 8 PHE H 1 8 PHE HB3 . . 3.520 2.479 2.374 2.610 . 0 0 "[ . 1 . 2]" 1 197 1 8 PHE H 1 9 LYS H . . 2.830 2.646 2.611 2.714 . 0 0 "[ . 1 . 2]" 1 198 1 8 PHE H 1 9 LYS HG2 . . 5.500 3.824 3.743 3.966 . 0 0 "[ . 1 . 2]" 1 199 1 8 PHE H 1 10 ARG H . . 5.150 4.200 4.136 4.311 . 0 0 "[ . 1 . 2]" 1 200 1 8 PHE H 1 10 ARG HG2 . . 5.290 5.120 4.880 5.281 . 0 0 "[ . 1 . 2]" 1 201 1 8 PHE HA 1 8 PHE HB2 . . 2.720 2.429 2.379 2.496 . 0 0 "[ . 1 . 2]" 1 202 1 8 PHE HA 1 9 LYS HG2 . . 5.380 5.305 5.262 5.385 0.005 8 0 "[ . 1 . 2]" 1 203 1 8 PHE HA 1 10 ARG H . . 5.420 3.781 3.720 4.125 . 0 0 "[ . 1 . 2]" 1 204 1 8 PHE HA 1 11 PHE H . . 3.920 3.387 3.308 3.512 . 0 0 "[ . 1 . 2]" 1 205 1 8 PHE HA 1 11 PHE HB2 . . 3.740 2.794 2.734 2.941 . 0 0 "[ . 1 . 2]" 1 206 1 8 PHE HA 1 11 PHE HD1 . . 3.810 3.304 3.081 3.607 . 0 0 "[ . 1 . 2]" 1 207 1 8 PHE HA 1 12 ASP H . . 4.880 3.982 3.886 4.134 . 0 0 "[ . 1 . 2]" 1 208 1 8 PHE HB3 1 9 LYS H . . 3.680 2.960 2.805 3.049 . 0 0 "[ . 1 . 2]" 1 209 1 8 PHE HB3 1 9 LYS HD2 . . 5.500 3.320 3.190 3.432 . 0 0 "[ . 1 . 2]" 1 210 1 8 PHE HB3 1 9 LYS HG2 . . 4.480 3.846 3.779 3.898 . 0 0 "[ . 1 . 2]" 1 211 1 8 PHE HB3 1 10 ARG H . . 5.310 5.035 4.976 5.132 . 0 0 "[ . 1 . 2]" 1 212 1 9 LYS H 1 9 LYS HB2 . . 2.740 2.702 2.690 2.714 . 0 0 "[ . 1 . 2]" 1 213 1 9 LYS H 1 9 LYS HD2 . . 3.590 2.792 2.667 2.847 . 0 0 "[ . 1 . 2]" 1 214 1 9 LYS H 1 9 LYS HE2 . . 5.500 4.613 4.370 5.199 . 0 0 "[ . 1 . 2]" 1 215 1 9 LYS H 1 9 LYS HE3 . . 5.500 4.881 4.407 5.167 . 0 0 "[ . 1 . 2]" 1 216 1 9 LYS H 1 9 LYS HG2 . . 3.170 1.945 1.936 1.966 . 0 0 "[ . 1 . 2]" 1 217 1 9 LYS H 1 9 LYS HG3 . . 3.610 3.512 3.504 3.530 . 0 0 "[ . 1 . 2]" 1 218 1 9 LYS H 1 10 ARG H . . 2.800 2.594 2.514 2.691 . 0 0 "[ . 1 . 2]" 1 219 1 9 LYS H 1 10 ARG HG2 . . 4.840 3.851 3.703 3.995 . 0 0 "[ . 1 . 2]" 1 220 1 9 LYS H 1 11 PHE HB2 . . 5.500 5.495 5.429 5.532 0.032 1 0 "[ . 1 . 2]" 1 221 1 9 LYS H 1 11 PHE HD1 . . 5.500 5.197 5.083 5.392 . 0 0 "[ . 1 . 2]" 1 222 1 9 LYS H 1 12 ASP H . . 5.020 4.854 4.727 4.919 . 0 0 "[ . 1 . 2]" 1 223 1 9 LYS HA 1 9 LYS HB3 . . 2.440 2.378 2.365 2.388 . 0 0 "[ . 1 . 2]" 1 224 1 9 LYS HA 1 9 LYS HD2 . . 3.390 2.204 2.173 2.242 . 0 0 "[ . 1 . 2]" 1 225 1 9 LYS HA 1 9 LYS QE . . 3.530 2.413 2.332 2.956 . 0 0 "[ . 1 . 2]" 1 226 1 9 LYS HA 1 10 ARG QD . . 5.340 5.189 4.914 5.335 . 0 0 "[ . 1 . 2]" 1 227 1 9 LYS HA 1 11 PHE H . . 5.120 4.990 4.797 5.054 . 0 0 "[ . 1 . 2]" 1 228 1 9 LYS HA 1 12 ASP H . . 4.010 3.844 3.569 3.900 . 0 0 "[ . 1 . 2]" 1 229 1 9 LYS HA 1 12 ASP HB3 . . 3.470 3.051 2.684 3.127 . 0 0 "[ . 1 . 2]" 1 230 1 9 LYS HB2 1 10 ARG H . . 3.450 3.004 2.699 3.032 . 0 0 "[ . 1 . 2]" 1 231 1 9 LYS HB2 1 10 ARG QD . . 4.010 3.376 2.938 3.650 . 0 0 "[ . 1 . 2]" 1 232 1 9 LYS HB3 1 9 LYS QE . . 3.120 2.085 1.994 2.175 . 0 0 "[ . 1 . 2]" 1 233 1 9 LYS HD2 1 10 ARG H . . 5.080 4.785 4.731 4.823 . 0 0 "[ . 1 . 2]" 1 234 1 9 LYS QE 1 9 LYS HG2 . . 3.720 3.433 3.304 3.523 . 0 0 "[ . 1 . 2]" 1 235 1 9 LYS QE 1 9 LYS HG3 . . 3.540 2.743 2.313 2.993 . 0 0 "[ . 1 . 2]" 1 236 1 9 LYS QE 1 12 ASP HB3 . . 4.780 4.515 4.294 4.798 0.018 8 0 "[ . 1 . 2]" 1 237 1 9 LYS HE2 1 9 LYS HG3 . . 4.180 2.906 2.350 3.243 . 0 0 "[ . 1 . 2]" 1 238 1 9 LYS HE3 1 9 LYS HG3 . . 4.180 3.489 2.434 3.723 . 0 0 "[ . 1 . 2]" 1 239 1 10 ARG H 1 10 ARG HB2 . . 2.710 2.622 2.587 2.672 . 0 0 "[ . 1 . 2]" 1 240 1 10 ARG H 1 10 ARG HB3 . . 3.660 3.630 3.590 3.638 . 0 0 "[ . 1 . 2]" 1 241 1 10 ARG H 1 10 ARG QD . . 3.930 3.353 3.072 3.517 . 0 0 "[ . 1 . 2]" 1 242 1 10 ARG H 1 10 ARG HG2 . . 3.170 2.113 1.950 2.182 . 0 0 "[ . 1 . 2]" 1 243 1 10 ARG H 1 11 PHE H . . 3.060 2.539 2.505 2.709 . 0 0 "[ . 1 . 2]" 1 244 1 10 ARG H 1 11 PHE HA . . 5.500 5.141 5.114 5.299 . 0 0 "[ . 1 . 2]" 1 245 1 10 ARG H 1 11 PHE HB2 . . 5.070 4.443 4.403 4.670 . 0 0 "[ . 1 . 2]" 1 246 1 10 ARG H 1 11 PHE HD1 . . 5.500 3.680 3.604 3.875 . 0 0 "[ . 1 . 2]" 1 247 1 10 ARG HA 1 10 ARG HB3 . . 2.550 2.393 2.370 2.408 . 0 0 "[ . 1 . 2]" 1 248 1 10 ARG HA 1 10 ARG QD . . 2.550 2.104 2.010 2.283 . 0 0 "[ . 1 . 2]" 1 249 1 10 ARG HA 1 10 ARG HG2 . . 3.680 3.178 3.103 3.268 . 0 0 "[ . 1 . 2]" 1 250 1 10 ARG HA 1 11 PHE HA . . 4.910 4.802 4.773 4.816 . 0 0 "[ . 1 . 2]" 1 251 1 10 ARG HA 1 11 PHE HD1 . . 5.390 5.173 4.994 5.221 . 0 0 "[ . 1 . 2]" 1 252 1 10 ARG HA 1 12 ASP HB3 . . 5.500 5.526 5.508 5.562 0.062 8 0 "[ . 1 . 2]" 1 253 1 10 ARG HB2 1 10 ARG HG2 . . 2.990 2.483 2.431 2.510 . 0 0 "[ . 1 . 2]" 1 254 1 10 ARG HB2 1 11 PHE H . . 3.570 2.264 2.218 2.320 . 0 0 "[ . 1 . 2]" 1 255 1 10 ARG HB2 1 11 PHE HB2 . . 5.500 4.493 4.453 4.539 . 0 0 "[ . 1 . 2]" 1 256 1 10 ARG HB2 1 11 PHE HB3 . . 5.500 5.529 5.514 5.550 0.050 12 0 "[ . 1 . 2]" 1 257 1 10 ARG HB2 1 11 PHE HD1 . . 4.290 2.734 2.501 2.817 . 0 0 "[ . 1 . 2]" 1 258 1 10 ARG HB2 1 27 ALA MB . . 5.400 4.521 4.349 4.610 . 0 0 "[ . 1 . 2]" 1 259 1 10 ARG HB2 1 77 PHE HB2 . . 5.340 4.874 4.740 5.103 . 0 0 "[ . 1 . 2]" 1 260 1 10 ARG HB2 1 77 PHE HB3 . . 4.450 3.283 3.112 3.643 . 0 0 "[ . 1 . 2]" 1 261 1 10 ARG HB2 1 77 PHE HD2 . . 4.370 2.690 2.478 2.797 . 0 0 "[ . 1 . 2]" 1 262 1 10 ARG HB3 1 10 ARG QD . . 3.660 2.554 2.321 2.897 . 0 0 "[ . 1 . 2]" 1 263 1 10 ARG HB3 1 10 ARG HG3 . . 2.590 2.472 2.421 2.500 . 0 0 "[ . 1 . 2]" 1 264 1 10 ARG HB3 1 11 PHE H . . 3.760 3.538 3.491 3.583 . 0 0 "[ . 1 . 2]" 1 265 1 10 ARG HB3 1 11 PHE HD1 . . 4.570 4.354 4.060 4.460 . 0 0 "[ . 1 . 2]" 1 266 1 10 ARG HB3 1 27 ALA HA . . 5.500 5.476 5.269 5.528 0.028 18 0 "[ . 1 . 2]" 1 267 1 10 ARG HB3 1 77 PHE HD2 . . 4.270 3.336 3.168 3.440 . 0 0 "[ . 1 . 2]" 1 268 1 10 ARG QD 1 10 ARG HG2 . . 2.600 2.209 2.145 2.422 . 0 0 "[ . 1 . 2]" 1 269 1 10 ARG QD 1 77 PHE HD2 . . 5.340 5.225 4.920 5.347 0.007 8 0 "[ . 1 . 2]" 1 270 1 10 ARG HG2 1 11 PHE HD1 . . 5.040 4.510 4.364 4.633 . 0 0 "[ . 1 . 2]" 1 271 1 10 ARG HG3 1 11 PHE HD1 . . 5.500 4.703 4.579 4.796 . 0 0 "[ . 1 . 2]" 1 272 1 10 ARG HG3 1 77 PHE HA . . 5.500 2.616 2.457 2.886 . 0 0 "[ . 1 . 2]" 1 273 1 10 ARG HG3 1 77 PHE HB2 . . 4.500 4.357 4.223 4.507 0.007 3 0 "[ . 1 . 2]" 1 274 1 10 ARG HG3 1 77 PHE HB3 . . 4.720 2.944 2.804 3.099 . 0 0 "[ . 1 . 2]" 1 275 1 10 ARG HG3 1 77 PHE HD2 . . 4.310 3.761 3.497 3.887 . 0 0 "[ . 1 . 2]" 1 276 1 11 PHE H 1 11 PHE HB2 . . 3.020 2.368 2.327 2.391 . 0 0 "[ . 1 . 2]" 1 277 1 11 PHE H 1 11 PHE HB3 . . 3.630 3.572 3.562 3.577 . 0 0 "[ . 1 . 2]" 1 278 1 11 PHE H 1 11 PHE HD1 . . 4.980 1.945 1.930 1.982 . 0 0 "[ . 1 . 2]" 1 279 1 11 PHE H 1 11 PHE HE1 . . 5.310 4.260 4.224 4.328 . 0 0 "[ . 1 . 2]" 1 280 1 11 PHE H 1 12 ASP H . . 2.850 2.704 2.627 2.736 . 0 0 "[ . 1 . 2]" 1 281 1 11 PHE H 1 12 ASP HA . . 5.500 5.324 5.262 5.350 . 0 0 "[ . 1 . 2]" 1 282 1 11 PHE H 1 12 ASP HB3 . . 5.210 4.942 4.855 4.997 . 0 0 "[ . 1 . 2]" 1 283 1 11 PHE H 1 19 ILE MD . . 4.600 4.131 4.013 4.201 . 0 0 "[ . 1 . 2]" 1 284 1 11 PHE H 1 19 ILE MG . . 5.500 4.931 4.894 4.955 . 0 0 "[ . 1 . 2]" 1 285 1 11 PHE H 1 27 ALA MB . . 5.500 4.535 4.436 4.610 . 0 0 "[ . 1 . 2]" 1 286 1 11 PHE HA 1 11 PHE HB3 . . 2.700 2.568 2.555 2.582 . 0 0 "[ . 1 . 2]" 1 287 1 11 PHE HA 1 11 PHE HD1 . . 3.910 3.573 3.406 3.648 . 0 0 "[ . 1 . 2]" 1 288 1 11 PHE HA 1 11 PHE HD2 . . 4.120 3.392 3.332 3.545 . 0 0 "[ . 1 . 2]" 1 289 1 11 PHE HA 1 19 ILE MD . . 4.500 3.877 3.721 3.972 . 0 0 "[ . 1 . 2]" 1 290 1 11 PHE HA 1 27 ALA MB . . 3.980 2.962 2.791 3.014 . 0 0 "[ . 1 . 2]" 1 291 1 11 PHE HB2 1 11 PHE HD1 . . 3.650 2.561 2.535 2.633 . 0 0 "[ . 1 . 2]" 1 292 1 11 PHE HB2 1 12 ASP H . . 3.240 2.929 2.880 2.995 . 0 0 "[ . 1 . 2]" 1 293 1 11 PHE HB2 1 19 ILE HB . . 5.500 5.592 5.570 5.617 0.117 15 0 "[ . 1 . 2]" 1 294 1 11 PHE HB2 1 19 ILE MD . . 3.050 2.559 2.402 2.636 . 0 0 "[ . 1 . 2]" 1 295 1 11 PHE HB2 1 19 ILE HG13 . . 3.300 3.336 3.312 3.374 0.074 4 0 "[ . 1 . 2]" 1 296 1 11 PHE HB2 1 19 ILE MG . . 4.020 3.485 3.457 3.515 . 0 0 "[ . 1 . 2]" 1 297 1 11 PHE HB2 1 27 ALA MB . . 5.500 4.761 4.732 4.777 . 0 0 "[ . 1 . 2]" 1 298 1 11 PHE HB3 1 12 ASP H . . 3.720 3.715 3.671 3.746 0.026 8 0 "[ . 1 . 2]" 1 299 1 11 PHE HB3 1 12 ASP HA . . 5.500 4.375 4.345 4.392 . 0 0 "[ . 1 . 2]" 1 300 1 11 PHE HB3 1 13 THR H . . 5.500 5.129 5.083 5.174 . 0 0 "[ . 1 . 2]" 1 301 1 11 PHE HB3 1 19 ILE MD . . 2.940 2.497 2.313 2.569 . 0 0 "[ . 1 . 2]" 1 302 1 11 PHE HB3 1 19 ILE HG12 . . 4.640 4.129 3.987 4.193 . 0 0 "[ . 1 . 2]" 1 303 1 11 PHE HB3 1 19 ILE HG13 . . 4.360 2.488 2.345 2.588 . 0 0 "[ . 1 . 2]" 1 304 1 11 PHE HB3 1 19 ILE MG . . 3.910 1.949 1.939 1.961 . 0 0 "[ . 1 . 2]" 1 305 1 11 PHE HB3 1 27 ALA MB . . 5.500 4.089 4.032 4.178 . 0 0 "[ . 1 . 2]" 1 306 1 11 PHE HD1 1 12 ASP H . . 5.500 4.391 4.354 4.450 . 0 0 "[ . 1 . 2]" 1 307 1 11 PHE HD2 1 19 ILE HB . . 5.160 4.897 4.673 5.052 . 0 0 "[ . 1 . 2]" 1 308 1 11 PHE HD2 1 19 ILE HG13 . . 4.070 3.881 3.652 4.039 . 0 0 "[ . 1 . 2]" 1 309 1 11 PHE HD2 1 19 ILE MG . . 3.430 2.829 2.725 2.916 . 0 0 "[ . 1 . 2]" 1 310 1 11 PHE HE1 1 77 PHE HB2 . . 4.500 3.563 3.375 3.753 . 0 0 "[ . 1 . 2]" 1 311 1 11 PHE HE1 1 77 PHE HB3 . . 3.970 2.852 2.638 3.088 . 0 0 "[ . 1 . 2]" 1 312 1 12 ASP H 1 12 ASP HB2 . . 3.450 2.844 2.803 2.867 . 0 0 "[ . 1 . 2]" 1 313 1 12 ASP H 1 12 ASP HB3 . . 3.120 2.438 2.416 2.457 . 0 0 "[ . 1 . 2]" 1 314 1 12 ASP H 1 19 ILE MD . . 3.170 2.740 2.688 2.757 . 0 0 "[ . 1 . 2]" 1 315 1 12 ASP H 1 19 ILE HG12 . . 5.500 5.667 5.572 5.703 0.203 8 0 "[ . 1 . 2]" 1 316 1 12 ASP H 1 19 ILE HG13 . . 5.100 4.898 4.845 4.959 . 0 0 "[ . 1 . 2]" 1 317 1 12 ASP HA 1 13 THR H . . 3.030 2.517 2.505 2.527 . 0 0 "[ . 1 . 2]" 1 318 1 12 ASP HA 1 14 ASN H . . 3.880 3.107 3.096 3.128 . 0 0 "[ . 1 . 2]" 1 319 1 12 ASP HA 1 14 ASN HB3 . . 5.500 4.236 4.228 4.248 . 0 0 "[ . 1 . 2]" 1 320 1 12 ASP HA 1 18 LYS HA . . 5.500 5.533 5.481 5.553 0.053 16 0 "[ . 1 . 2]" 1 321 1 12 ASP HA 1 19 ILE HA . . 5.500 3.174 3.086 3.214 . 0 0 "[ . 1 . 2]" 1 322 1 12 ASP HA 1 19 ILE MD . . 3.330 1.848 1.831 1.881 . 0 0 "[ . 1 . 2]" 1 323 1 12 ASP HA 1 19 ILE MG . . 5.500 3.234 3.125 3.325 . 0 0 "[ . 1 . 2]" 1 324 1 12 ASP HA 1 20 SER H . . 5.500 4.708 4.588 4.757 . 0 0 "[ . 1 . 2]" 1 325 1 12 ASP HB2 1 13 THR H . . 4.770 4.647 4.642 4.650 . 0 0 "[ . 1 . 2]" 1 326 1 12 ASP HB2 1 17 GLY H . . 5.190 4.053 3.937 4.143 . 0 0 "[ . 1 . 2]" 1 327 1 12 ASP HB2 1 18 LYS H . . 5.000 3.846 3.725 3.964 . 0 0 "[ . 1 . 2]" 1 328 1 12 ASP HB3 1 13 THR H . . 4.580 4.445 4.436 4.457 . 0 0 "[ . 1 . 2]" 1 329 1 12 ASP HB3 1 15 GLY H . . 4.730 3.831 3.804 3.869 . 0 0 "[ . 1 . 2]" 1 330 1 12 ASP HB3 1 15 GLY HA2 . . 5.500 3.735 3.703 3.789 . 0 0 "[ . 1 . 2]" 1 331 1 12 ASP HB3 1 16 ASP H . . 5.500 4.691 4.650 4.733 . 0 0 "[ . 1 . 2]" 1 332 1 12 ASP HB3 1 17 GLY H . . 5.300 4.400 4.286 4.491 . 0 0 "[ . 1 . 2]" 1 333 1 12 ASP HB3 1 19 ILE MD . . 4.840 3.206 3.174 3.226 . 0 0 "[ . 1 . 2]" 1 334 1 13 THR H 1 13 THR HB . . 3.670 2.454 2.436 2.464 . 0 0 "[ . 1 . 2]" 1 335 1 13 THR H 1 14 ASN HA . . 5.480 5.282 5.278 5.288 . 0 0 "[ . 1 . 2]" 1 336 1 13 THR H 1 14 ASN HB3 . . 5.500 4.793 4.788 4.805 . 0 0 "[ . 1 . 2]" 1 337 1 13 THR H 1 19 ILE MD . . 5.500 3.704 3.627 3.752 . 0 0 "[ . 1 . 2]" 1 338 1 13 THR H 1 19 ILE MG . . 5.500 3.867 3.772 3.941 . 0 0 "[ . 1 . 2]" 1 339 1 13 THR H 1 23 GLU HB3 . . 3.380 1.938 1.923 1.946 . 0 0 "[ . 1 . 2]" 1 340 1 13 THR H 1 23 GLU QG . . 3.120 3.075 3.026 3.112 . 0 0 "[ . 1 . 2]" 1 341 1 13 THR HA 1 13 THR MG . . 2.860 2.473 2.465 2.489 . 0 0 "[ . 1 . 2]" 1 342 1 13 THR HA 1 15 GLY H . . 5.500 3.707 3.673 3.727 . 0 0 "[ . 1 . 2]" 1 343 1 13 THR HA 1 23 GLU HA . . 5.500 5.307 5.263 5.349 . 0 0 "[ . 1 . 2]" 1 344 1 13 THR HB 1 14 ASN H . . 3.550 3.108 3.087 3.118 . 0 0 "[ . 1 . 2]" 1 345 1 13 THR HB 1 14 ASN HB2 . . 5.100 4.640 4.629 4.655 . 0 0 "[ . 1 . 2]" 1 346 1 13 THR HB 1 19 ILE MG . . 5.500 5.094 5.017 5.146 . 0 0 "[ . 1 . 2]" 1 347 1 13 THR HB 1 23 GLU HB3 . . 4.670 2.640 2.606 2.678 . 0 0 "[ . 1 . 2]" 1 348 1 13 THR HB 1 23 GLU QG . . 3.010 2.207 2.174 2.239 . 0 0 "[ . 1 . 2]" 1 349 1 13 THR MG 1 14 ASN H . . 4.950 3.621 3.571 3.642 . 0 0 "[ . 1 . 2]" 1 350 1 13 THR MG 1 14 ASN HA . . 5.500 3.419 3.372 3.440 . 0 0 "[ . 1 . 2]" 1 351 1 13 THR MG 1 14 ASN HB2 . . 5.500 4.414 4.365 4.446 . 0 0 "[ . 1 . 2]" 1 352 1 13 THR MG 1 14 ASN HB3 . . 5.500 5.102 5.061 5.123 . 0 0 "[ . 1 . 2]" 1 353 1 13 THR MG 1 15 GLY H . . 5.310 4.609 4.570 4.633 . 0 0 "[ . 1 . 2]" 1 354 1 13 THR MG 1 23 GLU HA . . 3.990 3.670 3.648 3.690 . 0 0 "[ . 1 . 2]" 1 355 1 13 THR MG 1 23 GLU HG2 . . 5.110 3.365 3.334 3.383 . 0 0 "[ . 1 . 2]" 1 356 1 13 THR MG 1 23 GLU QG . . 4.300 3.290 3.263 3.304 . 0 0 "[ . 1 . 2]" 1 357 1 13 THR MG 1 23 GLU HG3 . . 5.110 4.639 4.629 4.655 . 0 0 "[ . 1 . 2]" 1 358 1 14 ASN H 1 14 ASN HB2 . . 3.540 2.871 2.851 2.884 . 0 0 "[ . 1 . 2]" 1 359 1 14 ASN H 1 14 ASN HB3 . . 3.140 2.325 2.322 2.329 . 0 0 "[ . 1 . 2]" 1 360 1 14 ASN H 1 14 ASN QD . . 5.020 4.326 4.320 4.329 . 0 0 "[ . 1 . 2]" 1 361 1 14 ASN H 1 15 GLY H . . 2.550 2.409 2.392 2.434 . 0 0 "[ . 1 . 2]" 1 362 1 14 ASN H 1 17 GLY H . . 5.500 5.545 5.485 5.571 0.071 13 0 "[ . 1 . 2]" 1 363 1 14 ASN H 1 23 GLU HA . . 5.100 4.741 4.702 4.765 . 0 0 "[ . 1 . 2]" 1 364 1 14 ASN H 1 23 GLU HG2 . . 4.050 2.394 2.297 2.435 . 0 0 "[ . 1 . 2]" 1 365 1 14 ASN H 1 23 GLU HG3 . . 4.050 3.832 3.752 3.864 . 0 0 "[ . 1 . 2]" 1 366 1 14 ASN HA 1 16 ASP H . . 5.270 4.813 4.770 4.834 . 0 0 "[ . 1 . 2]" 1 367 1 14 ASN HB2 1 14 ASN QD . . 3.080 2.781 2.778 2.788 . 0 0 "[ . 1 . 2]" 1 368 1 14 ASN HB2 1 15 GLY H . . 4.460 4.351 4.347 4.358 . 0 0 "[ . 1 . 2]" 1 369 1 14 ASN HB2 1 16 ASP H . . 5.500 4.894 4.852 4.917 . 0 0 "[ . 1 . 2]" 1 370 1 14 ASN HB2 1 16 ASP QB . . 4.910 4.244 4.194 4.260 . 0 0 "[ . 1 . 2]" 1 371 1 14 ASN HB2 1 23 GLU HA . . 5.500 5.638 5.582 5.655 0.155 6 0 "[ . 1 . 2]" 1 372 1 14 ASN HB2 1 23 GLU HG2 . . 4.320 2.915 2.883 2.945 . 0 0 "[ . 1 . 2]" 1 373 1 14 ASN HB2 1 23 GLU QG . . 3.750 2.751 2.710 2.776 . 0 0 "[ . 1 . 2]" 1 374 1 14 ASN HB2 1 23 GLU HG3 . . 4.320 3.376 3.296 3.407 . 0 0 "[ . 1 . 2]" 1 375 1 14 ASN HB3 1 14 ASN QD . . 3.080 3.310 3.308 3.311 0.231 16 0 "[ . 1 . 2]" 1 376 1 14 ASN HB3 1 15 GLY H . . 3.690 3.345 3.337 3.362 . 0 0 "[ . 1 . 2]" 1 377 1 14 ASN HB3 1 15 GLY HA2 . . 5.500 5.078 5.067 5.094 . 0 0 "[ . 1 . 2]" 1 378 1 14 ASN HB3 1 15 GLY HA3 . . 5.500 5.361 5.358 5.365 . 0 0 "[ . 1 . 2]" 1 379 1 14 ASN HB3 1 16 ASP H . . 3.580 3.357 3.308 3.381 . 0 0 "[ . 1 . 2]" 1 380 1 14 ASN QD 1 15 GLY H . . 5.500 4.347 4.343 4.349 . 0 0 "[ . 1 . 2]" 1 381 1 14 ASN QD 1 16 ASP H . . 4.870 4.332 4.322 4.349 . 0 0 "[ . 1 . 2]" 1 382 1 14 ASN QD 1 16 ASP QB . . 3.070 2.854 2.804 2.944 . 0 0 "[ . 1 . 2]" 1 383 1 15 GLY H 1 15 GLY HA2 . . 2.400 2.301 2.300 2.303 . 0 0 "[ . 1 . 2]" 1 384 1 15 GLY H 1 16 ASP H . . 3.000 2.918 2.895 2.933 . 0 0 "[ . 1 . 2]" 1 385 1 15 GLY H 1 17 GLY H . . 4.400 4.279 4.246 4.297 . 0 0 "[ . 1 . 2]" 1 386 1 15 GLY HA2 1 16 ASP H . . 3.320 2.773 2.761 2.798 . 0 0 "[ . 1 . 2]" 1 387 1 15 GLY HA2 1 16 ASP HA . . 5.290 4.451 4.446 4.458 . 0 0 "[ . 1 . 2]" 1 388 1 15 GLY HA2 1 17 GLY H . . 3.510 3.526 3.512 3.554 0.044 14 0 "[ . 1 . 2]" 1 389 1 15 GLY HA2 1 17 GLY QA . . 5.340 4.897 4.884 4.901 . 0 0 "[ . 1 . 2]" 1 390 1 15 GLY HA3 1 16 ASP HA . . 5.500 4.533 4.531 4.535 . 0 0 "[ . 1 . 2]" 1 391 1 16 ASP H 1 16 ASP HB2 . . 3.260 3.707 3.625 3.726 0.466 13 0 "[ . 1 . 2]" 1 392 1 16 ASP H 1 16 ASP QB . . 2.730 2.483 2.402 2.507 . 0 0 "[ . 1 . 2]" 1 393 1 16 ASP H 1 16 ASP HB3 . . 3.260 2.522 2.437 2.548 . 0 0 "[ . 1 . 2]" 1 394 1 16 ASP H 1 17 GLY H . . 2.820 1.900 1.893 1.915 . 0 0 "[ . 1 . 2]" 1 395 1 16 ASP H 1 17 GLY HA2 . . 5.170 4.298 4.294 4.312 . 0 0 "[ . 1 . 2]" 1 396 1 16 ASP H 1 17 GLY QA . . 4.410 3.970 3.965 3.983 . 0 0 "[ . 1 . 2]" 1 397 1 16 ASP H 1 17 GLY HA3 . . 5.170 4.667 4.660 4.681 . 0 0 "[ . 1 . 2]" 1 398 1 16 ASP H 1 18 LYS QB . . 5.500 5.190 5.166 5.233 . 0 0 "[ . 1 . 2]" 1 399 1 16 ASP H 1 18 LYS HG3 . . 5.500 5.330 5.279 5.368 . 0 0 "[ . 1 . 2]" 1 400 1 16 ASP HA 1 17 GLY H . . 3.550 3.377 3.372 3.385 . 0 0 "[ . 1 . 2]" 1 401 1 16 ASP HA 1 17 GLY QA . . 5.340 4.180 4.178 4.183 . 0 0 "[ . 1 . 2]" 1 402 1 16 ASP HA 1 18 LYS QE . . 5.340 5.389 5.362 5.459 0.119 3 0 "[ . 1 . 2]" 1 403 1 16 ASP QB 1 17 GLY H . . 4.170 3.570 3.470 3.595 . 0 0 "[ . 1 . 2]" 1 404 1 16 ASP QB 1 18 LYS H . . 4.380 3.965 3.773 4.005 . 0 0 "[ . 1 . 2]" 1 405 1 16 ASP QB 1 18 LYS QE . . 5.180 3.997 3.907 4.135 . 0 0 "[ . 1 . 2]" 1 406 1 16 ASP HB2 1 17 GLY H . . 4.780 4.451 4.446 4.462 . 0 0 "[ . 1 . 2]" 1 407 1 16 ASP HB3 1 17 GLY H . . 4.780 3.759 3.618 3.795 . 0 0 "[ . 1 . 2]" 1 408 1 17 GLY H 1 17 GLY HA2 . . 2.950 2.413 2.411 2.416 . 0 0 "[ . 1 . 2]" 1 409 1 17 GLY H 1 17 GLY QA . . 2.580 2.309 2.308 2.311 . 0 0 "[ . 1 . 2]" 1 410 1 17 GLY H 1 17 GLY HA3 . . 2.950 2.947 2.946 2.948 . 0 0 "[ . 1 . 2]" 1 411 1 17 GLY H 1 18 LYS H . . 2.890 2.091 2.083 2.102 . 0 0 "[ . 1 . 2]" 1 412 1 17 GLY H 1 18 LYS HA . . 5.500 4.754 4.744 4.765 . 0 0 "[ . 1 . 2]" 1 413 1 17 GLY H 1 18 LYS QB . . 5.500 4.713 4.686 4.738 . 0 0 "[ . 1 . 2]" 1 414 1 17 GLY H 1 18 LYS HG2 . . 5.500 5.429 5.355 5.477 . 0 0 "[ . 1 . 2]" 1 415 1 17 GLY H 1 18 LYS HG3 . . 5.500 4.292 4.258 4.318 . 0 0 "[ . 1 . 2]" 1 416 1 17 GLY QA 1 18 LYS HG2 . . 5.090 3.929 3.875 3.967 . 0 0 "[ . 1 . 2]" 1 417 1 17 GLY QA 1 18 LYS HG3 . . 5.340 3.304 3.250 3.364 . 0 0 "[ . 1 . 2]" 1 418 1 17 GLY HA2 1 18 LYS H . . 3.400 3.118 3.103 3.136 . 0 0 "[ . 1 . 2]" 1 419 1 17 GLY HA3 1 18 LYS H . . 3.400 3.405 3.393 3.416 0.016 12 0 "[ . 1 . 2]" 1 420 1 18 LYS H 1 18 LYS QB . . 3.060 2.939 2.913 2.955 . 0 0 "[ . 1 . 2]" 1 421 1 18 LYS H 1 18 LYS QE . . 5.340 4.319 4.254 4.517 . 0 0 "[ . 1 . 2]" 1 422 1 18 LYS H 1 18 LYS HG2 . . 4.140 3.904 3.848 3.933 . 0 0 "[ . 1 . 2]" 1 423 1 18 LYS H 1 18 LYS HG3 . . 4.290 3.005 2.955 3.039 . 0 0 "[ . 1 . 2]" 1 424 1 18 LYS H 1 19 ILE H . . 4.710 4.385 4.372 4.393 . 0 0 "[ . 1 . 2]" 1 425 1 18 LYS H 1 19 ILE HA . . 4.780 4.671 4.659 4.691 . 0 0 "[ . 1 . 2]" 1 426 1 18 LYS H 1 53 PHE HB3 . . 5.500 5.600 5.579 5.618 0.118 12 0 "[ . 1 . 2]" 1 427 1 18 LYS H 1 55 ASP HA . . 5.200 5.147 5.117 5.200 . 3 0 "[ . 1 . 2]" 1 428 1 18 LYS HA 1 18 LYS QE . . 5.340 4.827 4.786 5.077 . 0 0 "[ . 1 . 2]" 1 429 1 18 LYS HA 1 18 LYS HG2 . . 4.090 2.688 2.664 2.731 . 0 0 "[ . 1 . 2]" 1 430 1 18 LYS HA 1 18 LYS HG3 . . 3.580 3.314 3.287 3.354 . 0 0 "[ . 1 . 2]" 1 431 1 18 LYS HA 1 19 ILE H . . 2.980 2.375 2.340 2.409 . 0 0 "[ . 1 . 2]" 1 432 1 18 LYS HA 1 19 ILE HA . . 4.670 4.410 4.395 4.424 . 0 0 "[ . 1 . 2]" 1 433 1 18 LYS HA 1 19 ILE HB . . 5.080 4.965 4.943 4.991 . 0 0 "[ . 1 . 2]" 1 434 1 18 LYS HA 1 19 ILE MD . . 4.240 3.112 3.069 3.200 . 0 0 "[ . 1 . 2]" 1 435 1 18 LYS HA 1 19 ILE HG12 . . 3.830 3.294 3.269 3.319 . 0 0 "[ . 1 . 2]" 1 436 1 18 LYS HA 1 53 PHE HB3 . . 4.540 4.201 4.161 4.241 . 0 0 "[ . 1 . 2]" 1 437 1 18 LYS HA 1 54 ILE H . . 4.530 4.264 4.118 4.401 . 0 0 "[ . 1 . 2]" 1 438 1 18 LYS HA 1 54 ILE HB . . 5.500 4.803 4.710 4.873 . 0 0 "[ . 1 . 2]" 1 439 1 18 LYS HA 1 55 ASP HB2 . . 5.500 5.570 5.541 5.628 0.128 3 0 "[ . 1 . 2]" 1 440 1 18 LYS HA 1 55 ASP HB3 . . 5.010 4.848 4.806 4.891 . 0 0 "[ . 1 . 2]" 1 441 1 18 LYS HA 1 56 PHE H . . 5.500 4.649 4.607 4.793 . 0 0 "[ . 1 . 2]" 1 442 1 18 LYS QB 1 18 LYS HD2 . . 2.720 2.155 2.140 2.200 . 0 0 "[ . 1 . 2]" 1 443 1 18 LYS QB 1 18 LYS HE2 . . 4.430 3.270 2.866 3.769 . 0 0 "[ . 1 . 2]" 1 444 1 18 LYS QB 1 18 LYS HE3 . . 4.430 3.025 2.792 3.527 . 0 0 "[ . 1 . 2]" 1 445 1 18 LYS QB 1 19 ILE H . . 3.220 2.504 2.435 2.576 . 0 0 "[ . 1 . 2]" 1 446 1 18 LYS QB 1 20 SER H . . 5.500 4.747 4.697 4.787 . 0 0 "[ . 1 . 2]" 1 447 1 18 LYS QB 1 53 PHE H . . 5.500 5.280 5.264 5.309 . 0 0 "[ . 1 . 2]" 1 448 1 18 LYS QB 1 53 PHE HB2 . . 3.670 3.206 3.140 3.268 . 0 0 "[ . 1 . 2]" 1 449 1 18 LYS QB 1 53 PHE HB3 . . 2.590 1.883 1.861 1.894 . 0 0 "[ . 1 . 2]" 1 450 1 18 LYS QB 1 53 PHE QD . . 2.900 2.649 2.612 2.706 . 0 0 "[ . 1 . 2]" 1 451 1 18 LYS QB 1 53 PHE QE . . 5.430 4.262 4.230 4.326 . 0 0 "[ . 1 . 2]" 1 452 1 18 LYS QB 1 54 ILE H . . 5.500 3.173 3.067 3.380 . 0 0 "[ . 1 . 2]" 1 453 1 18 LYS QB 1 55 ASP HA . . 4.450 3.380 3.319 3.466 . 0 0 "[ . 1 . 2]" 1 454 1 18 LYS QB 1 55 ASP HB3 . . 5.430 5.224 5.195 5.262 . 0 0 "[ . 1 . 2]" 1 455 1 18 LYS HD2 1 19 ILE H . . 4.930 4.847 4.746 4.947 0.017 3 0 "[ . 1 . 2]" 1 456 1 18 LYS HD2 1 53 PHE H . . 5.470 5.316 5.260 5.435 . 0 0 "[ . 1 . 2]" 1 457 1 18 LYS HD2 1 53 PHE HB2 . . 3.090 2.536 2.470 2.614 . 0 0 "[ . 1 . 2]" 1 458 1 18 LYS HD2 1 53 PHE HB3 . . 3.090 2.347 2.262 2.431 . 0 0 "[ . 1 . 2]" 1 459 1 18 LYS HD2 1 53 PHE QD . . 4.600 3.525 3.504 3.546 . 0 0 "[ . 1 . 2]" 1 460 1 18 LYS HD3 1 53 PHE HB2 . . 4.050 3.806 3.716 3.999 . 0 0 "[ . 1 . 2]" 1 461 1 18 LYS HD3 1 53 PHE HB3 . . 4.360 3.892 3.781 4.083 . 0 0 "[ . 1 . 2]" 1 462 1 18 LYS HD3 1 53 PHE QD . . 5.500 4.908 4.888 4.915 . 0 0 "[ . 1 . 2]" 1 463 1 18 LYS QE 1 53 PHE HB2 . . 5.260 4.114 4.056 4.315 . 0 0 "[ . 1 . 2]" 1 464 1 18 LYS QE 1 53 PHE HB3 . . 5.070 3.922 3.811 4.305 . 0 0 "[ . 1 . 2]" 1 465 1 18 LYS QE 1 53 PHE QD . . 5.340 3.940 3.800 4.250 . 0 0 "[ . 1 . 2]" 1 466 1 18 LYS QE 1 53 PHE QE . . 5.340 4.521 4.385 4.778 . 0 0 "[ . 1 . 2]" 1 467 1 18 LYS HE2 1 53 PHE QD . . 5.500 5.166 4.527 5.231 . 0 0 "[ . 1 . 2]" 1 468 1 18 LYS HE3 1 53 PHE QD . . 5.500 4.118 3.904 5.153 . 0 0 "[ . 1 . 2]" 1 469 1 18 LYS HG2 1 53 PHE HB3 . . 4.130 4.018 3.973 4.094 . 0 0 "[ . 1 . 2]" 1 470 1 18 LYS HG2 1 53 PHE QD . . 5.500 5.247 5.221 5.292 . 0 0 "[ . 1 . 2]" 1 471 1 18 LYS HG2 1 55 ASP HA . . 3.920 2.671 2.527 2.810 . 0 0 "[ . 1 . 2]" 1 472 1 18 LYS HG2 1 55 ASP HB2 . . 5.500 5.120 4.994 5.202 . 0 0 "[ . 1 . 2]" 1 473 1 18 LYS HG3 1 19 ILE H . . 5.080 5.010 4.977 5.049 . 0 0 "[ . 1 . 2]" 1 474 1 18 LYS HG3 1 53 PHE QD . . 5.500 5.024 4.980 5.079 . 0 0 "[ . 1 . 2]" 1 475 1 18 LYS HG3 1 55 ASP HA . . 5.500 4.275 4.137 4.364 . 0 0 "[ . 1 . 2]" 1 476 1 19 ILE H 1 19 ILE HB . . 2.980 2.879 2.846 2.895 . 0 0 "[ . 1 . 2]" 1 477 1 19 ILE H 1 19 ILE MD . . 3.660 3.084 3.033 3.141 . 0 0 "[ . 1 . 2]" 1 478 1 19 ILE H 1 19 ILE HG12 . . 3.080 2.367 2.276 2.451 . 0 0 "[ . 1 . 2]" 1 479 1 19 ILE H 1 19 ILE HG13 . . 4.260 3.907 3.829 3.976 . 0 0 "[ . 1 . 2]" 1 480 1 19 ILE H 1 20 SER H . . 4.400 4.283 4.240 4.313 . 0 0 "[ . 1 . 2]" 1 481 1 19 ILE H 1 43 MET ME . . 5.500 4.917 4.900 4.932 . 0 0 "[ . 1 . 2]" 1 482 1 19 ILE H 1 53 PHE HB2 . . 5.330 5.067 4.919 5.227 . 0 0 "[ . 1 . 2]" 1 483 1 19 ILE H 1 53 PHE HB3 . . 3.820 3.451 3.311 3.608 . 0 0 "[ . 1 . 2]" 1 484 1 19 ILE H 1 53 PHE QD . . 4.850 3.986 3.877 4.131 . 0 0 "[ . 1 . 2]" 1 485 1 19 ILE H 1 54 ILE H . . 3.320 2.265 2.181 2.427 . 0 0 "[ . 1 . 2]" 1 486 1 19 ILE H 1 54 ILE HB . . 3.050 2.861 2.753 2.930 . 0 0 "[ . 1 . 2]" 1 487 1 19 ILE H 1 54 ILE MG . . 4.150 3.738 3.625 3.796 . 0 0 "[ . 1 . 2]" 1 488 1 19 ILE H 1 55 ASP H . . 4.780 4.552 4.532 4.590 . 0 0 "[ . 1 . 2]" 1 489 1 19 ILE H 1 55 ASP HA . . 4.330 3.975 3.887 4.023 . 0 0 "[ . 1 . 2]" 1 490 1 19 ILE HA 1 19 ILE MD . . 3.120 2.130 2.064 2.302 . 0 0 "[ . 1 . 2]" 1 491 1 19 ILE HA 1 20 SER H . . 2.910 2.140 2.139 2.140 . 0 0 "[ . 1 . 2]" 1 492 1 19 ILE HA 1 23 GLU H . . 4.990 4.778 4.740 4.821 . 0 0 "[ . 1 . 2]" 1 493 1 19 ILE HA 1 23 GLU HA . . 5.500 5.606 5.568 5.630 0.130 13 0 "[ . 1 . 2]" 1 494 1 19 ILE HA 1 23 GLU HB2 . . 4.350 2.650 2.605 2.678 . 0 0 "[ . 1 . 2]" 1 495 1 19 ILE HA 1 24 LEU H . . 4.560 4.088 4.050 4.165 . 0 0 "[ . 1 . 2]" 1 496 1 19 ILE HB 1 20 SER H . . 4.400 4.073 4.039 4.106 . 0 0 "[ . 1 . 2]" 1 497 1 19 ILE HB 1 23 GLU HB2 . . 4.920 4.543 4.485 4.582 . 0 0 "[ . 1 . 2]" 1 498 1 19 ILE HB 1 24 LEU HG . . 4.970 4.330 4.274 4.467 . 0 0 "[ . 1 . 2]" 1 499 1 19 ILE HB 1 54 ILE H . . 3.660 3.284 3.242 3.330 . 0 0 "[ . 1 . 2]" 1 500 1 19 ILE HB 1 54 ILE HB . . 2.490 1.943 1.931 1.955 . 0 0 "[ . 1 . 2]" 1 501 1 19 ILE HB 1 54 ILE HG13 . . 4.030 3.646 3.567 3.715 . 0 0 "[ . 1 . 2]" 1 502 1 19 ILE HB 1 54 ILE MG . . 3.610 3.176 3.115 3.219 . 0 0 "[ . 1 . 2]" 1 503 1 19 ILE HB 1 59 PHE HD1 . . 5.500 4.612 4.528 4.745 . 0 0 "[ . 1 . 2]" 1 504 1 19 ILE MD 1 19 ILE MG . . 2.870 2.183 2.101 2.221 . 0 0 "[ . 1 . 2]" 1 505 1 19 ILE MD 1 20 SER H . . 5.500 3.968 3.924 4.057 . 0 0 "[ . 1 . 2]" 1 506 1 19 ILE MD 1 23 GLU HB2 . . 5.500 3.512 3.461 3.561 . 0 0 "[ . 1 . 2]" 1 507 1 19 ILE MD 1 23 GLU HB3 . . 5.500 3.594 3.506 3.670 . 0 0 "[ . 1 . 2]" 1 508 1 19 ILE MD 1 24 LEU H . . 5.500 4.809 4.718 4.845 . 0 0 "[ . 1 . 2]" 1 509 1 19 ILE MD 1 24 LEU HA . . 5.500 4.783 4.636 4.868 . 0 0 "[ . 1 . 2]" 1 510 1 19 ILE MD 1 54 ILE H . . 5.500 4.822 4.774 4.933 . 0 0 "[ . 1 . 2]" 1 511 1 19 ILE HG12 1 20 SER H . . 5.400 5.291 5.268 5.304 . 0 0 "[ . 1 . 2]" 1 512 1 19 ILE HG12 1 54 ILE MG . . 3.080 2.814 2.735 2.891 . 0 0 "[ . 1 . 2]" 1 513 1 19 ILE HG12 1 55 ASP H . . 5.500 5.357 5.323 5.417 . 0 0 "[ . 1 . 2]" 1 514 1 19 ILE HG12 1 55 ASP HA . . 5.500 4.613 4.525 4.695 . 0 0 "[ . 1 . 2]" 1 515 1 19 ILE HG12 1 59 PHE HD1 . . 4.620 4.193 4.123 4.266 . 0 0 "[ . 1 . 2]" 1 516 1 19 ILE HG13 1 20 SER H . . 5.500 5.635 5.615 5.664 0.164 12 0 "[ . 1 . 2]" 1 517 1 19 ILE HG13 1 54 ILE HB . . 5.500 3.523 3.398 3.589 . 0 0 "[ . 1 . 2]" 1 518 1 19 ILE HG13 1 54 ILE MG . . 5.380 3.177 3.073 3.245 . 0 0 "[ . 1 . 2]" 1 519 1 19 ILE HG13 1 59 PHE HD1 . . 4.630 3.781 3.695 3.852 . 0 0 "[ . 1 . 2]" 1 520 1 19 ILE MG 1 20 SER H . . 3.410 2.819 2.778 2.853 . 0 0 "[ . 1 . 2]" 1 521 1 19 ILE MG 1 20 SER QB . . 5.340 4.620 4.452 4.848 . 0 0 "[ . 1 . 2]" 1 522 1 19 ILE MG 1 21 LEU HA . . 5.500 5.051 5.028 5.071 . 0 0 "[ . 1 . 2]" 1 523 1 19 ILE MG 1 23 GLU H . . 4.960 3.943 3.910 3.990 . 0 0 "[ . 1 . 2]" 1 524 1 19 ILE MG 1 23 GLU HA . . 4.590 4.216 4.186 4.257 . 0 0 "[ . 1 . 2]" 1 525 1 19 ILE MG 1 23 GLU HB2 . . 2.980 1.934 1.918 1.956 . 0 0 "[ . 1 . 2]" 1 526 1 19 ILE MG 1 23 GLU HB3 . . 3.340 2.772 2.708 2.846 . 0 0 "[ . 1 . 2]" 1 527 1 19 ILE MG 1 23 GLU HG2 . . 4.980 4.473 4.404 4.529 . 0 0 "[ . 1 . 2]" 1 528 1 19 ILE MG 1 23 GLU QG . . 4.120 3.858 3.810 3.902 . 0 0 "[ . 1 . 2]" 1 529 1 19 ILE MG 1 23 GLU HG3 . . 4.980 4.214 4.171 4.260 . 0 0 "[ . 1 . 2]" 1 530 1 19 ILE MG 1 24 LEU H . . 3.910 2.335 2.270 2.422 . 0 0 "[ . 1 . 2]" 1 531 1 19 ILE MG 1 24 LEU HA . . 3.880 2.306 2.262 2.406 . 0 0 "[ . 1 . 2]" 1 532 1 19 ILE MG 1 24 LEU HB2 . . 3.180 1.902 1.884 1.924 . 0 0 "[ . 1 . 2]" 1 533 1 19 ILE MG 1 24 LEU HG . . 5.220 2.755 2.678 2.846 . 0 0 "[ . 1 . 2]" 1 534 1 19 ILE MG 1 25 THR H . . 5.500 4.417 4.390 4.489 . 0 0 "[ . 1 . 2]" 1 535 1 19 ILE MG 1 43 MET HB3 . . 5.500 4.791 4.699 4.871 . 0 0 "[ . 1 . 2]" 1 536 1 19 ILE MG 1 43 MET ME . . 5.500 4.367 4.318 4.403 . 0 0 "[ . 1 . 2]" 1 537 1 19 ILE MG 1 54 ILE H . . 5.500 4.515 4.484 4.543 . 0 0 "[ . 1 . 2]" 1 538 1 20 SER H 1 20 SER QB . . 3.070 2.627 2.345 2.983 . 0 0 "[ . 1 . 2]" 1 539 1 20 SER H 1 22 SER H . . 5.500 4.292 4.244 4.393 . 0 0 "[ . 1 . 2]" 1 540 1 20 SER H 1 22 SER HB3 . . 5.500 5.385 5.320 5.497 . 0 0 "[ . 1 . 2]" 1 541 1 20 SER H 1 23 GLU H . . 3.170 3.108 3.089 3.141 . 0 0 "[ . 1 . 2]" 1 542 1 20 SER H 1 23 GLU HB2 . . 2.870 2.235 2.171 2.282 . 0 0 "[ . 1 . 2]" 1 543 1 20 SER H 1 23 GLU HG2 . . 4.550 4.131 4.077 4.181 . 0 0 "[ . 1 . 2]" 1 544 1 20 SER H 1 23 GLU QG . . 3.890 2.907 2.836 2.962 . 0 0 "[ . 1 . 2]" 1 545 1 20 SER H 1 23 GLU HG3 . . 4.550 2.970 2.893 3.030 . 0 0 "[ . 1 . 2]" 1 546 1 20 SER H 1 24 LEU H . . 3.780 3.230 3.191 3.311 . 0 0 "[ . 1 . 2]" 1 547 1 20 SER H 1 24 LEU HA . . 5.500 5.418 5.383 5.469 . 0 0 "[ . 1 . 2]" 1 548 1 20 SER H 1 24 LEU HB2 . . 4.820 4.226 4.209 4.297 . 0 0 "[ . 1 . 2]" 1 549 1 20 SER H 1 24 LEU HB3 . . 5.500 5.541 5.522 5.627 0.127 3 0 "[ . 1 . 2]" 1 550 1 20 SER H 1 43 MET ME . . 5.500 4.642 4.587 4.740 . 0 0 "[ . 1 . 2]" 1 551 1 20 SER H 1 53 PHE HB3 . . 5.500 5.389 5.252 5.495 . 0 0 "[ . 1 . 2]" 1 552 1 20 SER H 1 53 PHE QD . . 3.680 3.700 3.661 3.829 0.149 3 0 "[ . 1 . 2]" 1 553 1 20 SER H 1 53 PHE QE . . 5.140 4.430 4.332 4.691 . 0 0 "[ . 1 . 2]" 1 554 1 20 SER H 1 54 ILE HB . . 5.500 5.444 5.394 5.524 0.024 3 0 "[ . 1 . 2]" 1 555 1 20 SER HA 1 21 LEU H . . 3.430 2.723 2.651 2.733 . 0 0 "[ . 1 . 2]" 1 556 1 20 SER HA 1 53 PHE H . . 5.500 5.519 5.506 5.549 0.049 3 0 "[ . 1 . 2]" 1 557 1 20 SER HA 1 53 PHE QD . . 3.950 3.424 3.351 3.469 . 0 0 "[ . 1 . 2]" 1 558 1 20 SER HA 1 54 ILE H . . 4.600 3.754 3.679 3.922 . 0 0 "[ . 1 . 2]" 1 559 1 20 SER QB 1 21 LEU H . . 3.040 2.205 1.918 2.341 . 0 0 "[ . 1 . 2]" 1 560 1 20 SER QB 1 21 LEU HB2 . . 4.680 4.200 4.059 4.321 . 0 0 "[ . 1 . 2]" 1 561 1 20 SER QB 1 21 LEU HB3 . . 5.340 5.248 5.083 5.385 0.045 2 0 "[ . 1 . 2]" 1 562 1 20 SER QB 1 21 LEU MD2 . . 5.070 4.059 3.795 4.276 . 0 0 "[ . 1 . 2]" 1 563 1 20 SER QB 1 22 SER H . . 4.160 2.207 2.150 2.632 . 0 0 "[ . 1 . 2]" 1 564 1 20 SER QB 1 22 SER HB2 . . 3.760 3.412 3.275 3.769 0.009 3 0 "[ . 1 . 2]" 1 565 1 20 SER QB 1 22 SER HB3 . . 5.260 3.944 3.804 4.624 . 0 0 "[ . 1 . 2]" 1 566 1 20 SER QB 1 23 GLU H . . 4.710 3.023 2.885 3.665 . 0 0 "[ . 1 . 2]" 1 567 1 20 SER QB 1 23 GLU HB2 . . 4.640 4.146 3.869 4.573 . 0 0 "[ . 1 . 2]" 1 568 1 20 SER QB 1 23 GLU QG . . 4.760 3.285 2.997 3.846 . 0 0 "[ . 1 . 2]" 1 569 1 20 SER QB 1 43 MET ME . . 5.500 3.956 3.688 4.169 . 0 0 "[ . 1 . 2]" 1 570 1 20 SER QB 1 53 PHE HB3 . . 5.340 4.797 4.532 4.886 . 0 0 "[ . 1 . 2]" 1 571 1 20 SER QB 1 53 PHE QD . . 3.400 2.791 2.440 3.085 . 0 0 "[ . 1 . 2]" 1 572 1 20 SER QB 1 53 PHE QE . . 3.070 2.352 2.117 2.675 . 0 0 "[ . 1 . 2]" 1 573 1 20 SER QB 1 54 ILE H . . 5.340 5.046 4.973 5.130 . 0 0 "[ . 1 . 2]" 1 574 1 21 LEU H 1 21 LEU HA . . 2.850 2.847 2.835 2.850 0.000 1 0 "[ . 1 . 2]" 1 575 1 21 LEU H 1 21 LEU HB2 . . 2.970 2.766 2.743 2.780 . 0 0 "[ . 1 . 2]" 1 576 1 21 LEU H 1 21 LEU HB3 . . 3.640 3.574 3.571 3.577 . 0 0 "[ . 1 . 2]" 1 577 1 21 LEU H 1 21 LEU MD1 . . 4.540 3.650 3.633 3.669 . 0 0 "[ . 1 . 2]" 1 578 1 21 LEU H 1 21 LEU MD2 . . 3.400 2.607 2.592 2.625 . 0 0 "[ . 1 . 2]" 1 579 1 21 LEU H 1 21 LEU HG . . 3.370 1.994 1.969 2.023 . 0 0 "[ . 1 . 2]" 1 580 1 21 LEU H 1 22 SER H . . 3.160 2.508 2.497 2.553 . 0 0 "[ . 1 . 2]" 1 581 1 21 LEU H 1 22 SER HA . . 5.500 5.132 5.121 5.166 . 0 0 "[ . 1 . 2]" 1 582 1 21 LEU H 1 22 SER HB2 . . 4.740 4.388 4.348 4.433 . 0 0 "[ . 1 . 2]" 1 583 1 21 LEU H 1 23 GLU H . . 5.500 4.109 4.051 4.168 . 0 0 "[ . 1 . 2]" 1 584 1 21 LEU H 1 43 MET ME . . 3.910 3.444 3.423 3.472 . 0 0 "[ . 1 . 2]" 1 585 1 21 LEU H 1 53 PHE QD . . 5.500 5.351 5.301 5.375 . 0 0 "[ . 1 . 2]" 1 586 1 21 LEU H 1 53 PHE QE . . 5.500 5.101 5.034 5.184 . 0 0 "[ . 1 . 2]" 1 587 1 21 LEU HA 1 21 LEU HB3 . . 2.860 2.324 2.319 2.338 . 0 0 "[ . 1 . 2]" 1 588 1 21 LEU HA 1 21 LEU MD2 . . 2.570 2.066 2.029 2.081 . 0 0 "[ . 1 . 2]" 1 589 1 21 LEU HA 1 21 LEU HG . . 3.560 3.501 3.485 3.510 . 0 0 "[ . 1 . 2]" 1 590 1 21 LEU HA 1 24 LEU H . . 4.150 3.971 3.928 4.009 . 0 0 "[ . 1 . 2]" 1 591 1 21 LEU HA 1 24 LEU HB3 . . 5.500 3.134 3.102 3.175 . 0 0 "[ . 1 . 2]" 1 592 1 21 LEU HA 1 24 LEU MD1 . . 4.670 4.210 4.185 4.243 . 0 0 "[ . 1 . 2]" 1 593 1 21 LEU HA 1 25 THR H . . 4.120 3.505 3.449 3.587 . 0 0 "[ . 1 . 2]" 1 594 1 21 LEU HA 1 39 VAL HA . . 5.500 5.374 5.356 5.418 . 0 0 "[ . 1 . 2]" 1 595 1 21 LEU HA 1 40 GLN H . . 5.300 4.682 4.655 4.725 . 0 0 "[ . 1 . 2]" 1 596 1 21 LEU HA 1 43 MET HB3 . . 5.300 5.453 5.430 5.461 0.161 9 0 "[ . 1 . 2]" 1 597 1 21 LEU HA 1 43 MET ME . . 4.090 3.756 3.696 3.808 . 0 0 "[ . 1 . 2]" 1 598 1 21 LEU HB2 1 21 LEU MD1 . . 3.080 2.337 2.319 2.357 . 0 0 "[ . 1 . 2]" 1 599 1 21 LEU HB2 1 21 LEU HG . . 2.550 2.394 2.385 2.404 . 0 0 "[ . 1 . 2]" 1 600 1 21 LEU HB2 1 22 SER H . . 4.460 3.047 2.961 3.092 . 0 0 "[ . 1 . 2]" 1 601 1 21 LEU HB2 1 36 ALA HA . . 5.500 5.548 5.439 5.571 0.071 4 0 "[ . 1 . 2]" 1 602 1 21 LEU HB2 1 39 VAL HB . . 5.500 5.160 5.136 5.182 . 0 0 "[ . 1 . 2]" 1 603 1 21 LEU HB2 1 40 GLN HB3 . . 5.500 5.084 5.039 5.205 . 0 0 "[ . 1 . 2]" 1 604 1 21 LEU HB3 1 21 LEU MD1 . . 3.290 2.297 2.276 2.315 . 0 0 "[ . 1 . 2]" 1 605 1 21 LEU HB3 1 21 LEU MD2 . . 3.360 2.413 2.406 2.427 . 0 0 "[ . 1 . 2]" 1 606 1 21 LEU HB3 1 22 SER H . . 4.840 4.174 4.124 4.199 . 0 0 "[ . 1 . 2]" 1 607 1 21 LEU HB3 1 25 THR H . . 5.500 5.079 4.991 5.127 . 0 0 "[ . 1 . 2]" 1 608 1 21 LEU HB3 1 36 ALA HA . . 4.510 4.088 3.975 4.118 . 0 0 "[ . 1 . 2]" 1 609 1 21 LEU HB3 1 36 ALA MB . . 3.610 2.690 2.459 2.875 . 0 0 "[ . 1 . 2]" 1 610 1 21 LEU HB3 1 39 VAL HB . . 5.230 3.477 3.454 3.504 . 0 0 "[ . 1 . 2]" 1 611 1 21 LEU HB3 1 39 VAL MG1 . . 3.760 2.904 2.859 2.975 . 0 0 "[ . 1 . 2]" 1 612 1 21 LEU HB3 1 40 GLN H . . 4.380 4.020 3.953 4.095 . 0 0 "[ . 1 . 2]" 1 613 1 21 LEU HB3 1 40 GLN HA . . 4.750 4.592 4.528 4.705 . 0 0 "[ . 1 . 2]" 1 614 1 21 LEU HB3 1 40 GLN HB3 . . 4.570 3.840 3.792 3.971 . 0 0 "[ . 1 . 2]" 1 615 1 21 LEU MD1 1 21 LEU HG . . 2.580 2.087 2.086 2.089 . 0 0 "[ . 1 . 2]" 1 616 1 21 LEU MD1 1 22 SER H . . 5.500 4.820 4.749 4.886 . 0 0 "[ . 1 . 2]" 1 617 1 21 LEU MD1 1 40 GLN HA . . 5.010 3.476 3.427 3.539 . 0 0 "[ . 1 . 2]" 1 618 1 21 LEU MD1 1 40 GLN HB3 . . 2.840 1.975 1.963 2.019 . 0 0 "[ . 1 . 2]" 1 619 1 21 LEU MD1 1 40 GLN HE21 . . 5.500 4.719 4.706 4.749 . 0 0 "[ . 1 . 2]" 1 620 1 21 LEU MD1 1 40 GLN HE22 . . 5.500 5.134 5.112 5.170 . 0 0 "[ . 1 . 2]" 1 621 1 21 LEU MD1 1 40 GLN HG2 . . 4.110 3.551 3.512 3.588 . 0 0 "[ . 1 . 2]" 1 622 1 21 LEU MD2 1 22 SER H . . 5.500 4.374 4.358 4.392 . 0 0 "[ . 1 . 2]" 1 623 1 21 LEU MD2 1 25 THR H . . 5.500 5.068 5.008 5.096 . 0 0 "[ . 1 . 2]" 1 624 1 21 LEU MD2 1 40 GLN H . . 4.690 3.338 3.314 3.355 . 0 0 "[ . 1 . 2]" 1 625 1 21 LEU MD2 1 40 GLN HA . . 3.430 2.171 2.120 2.241 . 0 0 "[ . 1 . 2]" 1 626 1 21 LEU MD2 1 40 GLN HB3 . . 3.260 2.287 2.266 2.321 . 0 0 "[ . 1 . 2]" 1 627 1 21 LEU MD2 1 43 MET H . . 5.500 4.616 4.598 4.633 . 0 0 "[ . 1 . 2]" 1 628 1 21 LEU MD2 1 43 MET ME . . 2.750 2.023 1.991 2.061 . 0 0 "[ . 1 . 2]" 1 629 1 21 LEU MD2 1 43 MET HG2 . . 2.930 2.539 2.516 2.568 . 0 0 "[ . 1 . 2]" 1 630 1 21 LEU MD2 1 43 MET HG3 . . 4.660 3.401 3.380 3.427 . 0 0 "[ . 1 . 2]" 1 631 1 21 LEU HG 1 22 SER H . . 4.700 4.012 3.962 4.103 . 0 0 "[ . 1 . 2]" 1 632 1 21 LEU HG 1 22 SER HB2 . . 5.500 5.503 5.486 5.581 0.081 3 0 "[ . 1 . 2]" 1 633 1 21 LEU HG 1 40 GLN HB3 . . 4.780 4.566 4.549 4.600 . 0 0 "[ . 1 . 2]" 1 634 1 21 LEU HG 1 43 MET HG2 . . 5.500 5.283 5.243 5.324 . 0 0 "[ . 1 . 2]" 1 635 1 22 SER H 1 22 SER HB2 . . 3.510 2.236 2.191 2.264 . 0 0 "[ . 1 . 2]" 1 636 1 22 SER H 1 23 GLU H . . 2.860 2.358 2.323 2.392 . 0 0 "[ . 1 . 2]" 1 637 1 22 SER H 1 23 GLU HB2 . . 4.790 4.761 4.698 4.804 0.014 4 0 "[ . 1 . 2]" 1 638 1 22 SER H 1 24 LEU H . . 4.220 4.145 4.047 4.210 . 0 0 "[ . 1 . 2]" 1 639 1 22 SER HA 1 24 LEU H . . 5.500 5.125 5.012 5.173 . 0 0 "[ . 1 . 2]" 1 640 1 22 SER HA 1 25 THR H . . 4.470 4.300 4.212 4.334 . 0 0 "[ . 1 . 2]" 1 641 1 22 SER HA 1 25 THR MG . . 3.680 2.303 2.250 2.333 . 0 0 "[ . 1 . 2]" 1 642 1 22 SER HB2 1 23 GLU H . . 3.960 3.516 3.424 3.586 . 0 0 "[ . 1 . 2]" 1 643 1 22 SER HB3 1 23 GLU H . . 4.080 2.940 2.894 2.985 . 0 0 "[ . 1 . 2]" 1 644 1 22 SER HB3 1 23 GLU HA . . 5.500 4.012 3.974 4.036 . 0 0 "[ . 1 . 2]" 1 645 1 22 SER HB3 1 23 GLU HB2 . . 5.500 5.077 5.029 5.129 . 0 0 "[ . 1 . 2]" 1 646 1 22 SER HB3 1 23 GLU QG . . 3.920 2.934 2.891 3.010 . 0 0 "[ . 1 . 2]" 1 647 1 22 SER HB3 1 25 THR MG . . 5.500 4.385 4.252 4.439 . 0 0 "[ . 1 . 2]" 1 648 1 23 GLU H 1 23 GLU HB2 . . 2.690 2.613 2.594 2.625 . 0 0 "[ . 1 . 2]" 1 649 1 23 GLU H 1 23 GLU QG . . 3.370 2.119 2.094 2.156 . 0 0 "[ . 1 . 2]" 1 650 1 23 GLU H 1 24 LEU H . . 2.850 2.519 2.499 2.542 . 0 0 "[ . 1 . 2]" 1 651 1 23 GLU H 1 24 LEU HB2 . . 4.760 4.493 4.473 4.533 . 0 0 "[ . 1 . 2]" 1 652 1 23 GLU H 1 24 LEU HB3 . . 5.500 4.858 4.835 4.902 . 0 0 "[ . 1 . 2]" 1 653 1 23 GLU H 1 25 THR H . . 4.130 4.030 3.994 4.088 . 0 0 "[ . 1 . 2]" 1 654 1 23 GLU H 1 39 VAL MG1 . . 5.500 4.855 4.813 4.896 . 0 0 "[ . 1 . 2]" 1 655 1 23 GLU HA 1 23 GLU HB3 . . 2.780 2.397 2.391 2.405 . 0 0 "[ . 1 . 2]" 1 656 1 23 GLU HA 1 23 GLU HG2 . . 3.580 2.790 2.774 2.805 . 0 0 "[ . 1 . 2]" 1 657 1 23 GLU HA 1 23 GLU QG . . 3.050 2.586 2.574 2.596 . 0 0 "[ . 1 . 2]" 1 658 1 23 GLU HA 1 23 GLU HG3 . . 3.580 3.059 3.026 3.090 . 0 0 "[ . 1 . 2]" 1 659 1 23 GLU HA 1 24 LEU HA . . 5.500 4.855 4.842 4.859 . 0 0 "[ . 1 . 2]" 1 660 1 23 GLU HA 1 25 THR H . . 4.950 4.608 4.577 4.662 . 0 0 "[ . 1 . 2]" 1 661 1 23 GLU HA 1 26 ASP H . . 3.830 3.522 3.509 3.570 . 0 0 "[ . 1 . 2]" 1 662 1 23 GLU HA 1 26 ASP QB . . 3.670 2.935 2.580 3.245 . 0 0 "[ . 1 . 2]" 1 663 1 23 GLU HB2 1 24 LEU H . . 3.230 2.263 2.227 2.330 . 0 0 "[ . 1 . 2]" 1 664 1 23 GLU HB2 1 24 LEU HA . . 4.970 4.025 4.007 4.057 . 0 0 "[ . 1 . 2]" 1 665 1 23 GLU HB2 1 24 LEU HB2 . . 5.140 3.982 3.962 4.007 . 0 0 "[ . 1 . 2]" 1 666 1 23 GLU HB2 1 24 LEU HB3 . . 5.500 5.083 5.060 5.121 . 0 0 "[ . 1 . 2]" 1 667 1 23 GLU HB2 1 25 THR H . . 5.340 4.987 4.950 5.040 . 0 0 "[ . 1 . 2]" 1 668 1 23 GLU HB3 1 24 LEU HA . . 5.350 4.510 4.492 4.522 . 0 0 "[ . 1 . 2]" 1 669 1 23 GLU QG 1 24 LEU H . . 4.970 3.786 3.754 3.828 . 0 0 "[ . 1 . 2]" 1 670 1 24 LEU H 1 24 LEU HB2 . . 2.830 2.202 2.192 2.210 . 0 0 "[ . 1 . 2]" 1 671 1 24 LEU H 1 24 LEU HB3 . . 2.960 2.872 2.853 2.891 . 0 0 "[ . 1 . 2]" 1 672 1 24 LEU H 1 24 LEU MD2 . . 4.850 4.326 4.317 4.335 . 0 0 "[ . 1 . 2]" 1 673 1 24 LEU H 1 24 LEU HG . . 4.750 4.227 4.210 4.241 . 0 0 "[ . 1 . 2]" 1 674 1 24 LEU H 1 25 THR H . . 3.160 2.935 2.905 2.957 . 0 0 "[ . 1 . 2]" 1 675 1 24 LEU H 1 26 ASP H . . 4.670 4.246 4.106 4.279 . 0 0 "[ . 1 . 2]" 1 676 1 24 LEU H 1 27 ALA H . . 5.500 5.185 5.041 5.209 . 0 0 "[ . 1 . 2]" 1 677 1 24 LEU H 1 27 ALA MB . . 5.500 5.167 5.007 5.197 . 0 0 "[ . 1 . 2]" 1 678 1 24 LEU H 1 39 VAL MG1 . . 5.500 3.792 3.743 3.815 . 0 0 "[ . 1 . 2]" 1 679 1 24 LEU H 1 43 MET ME . . 5.500 5.054 4.990 5.114 . 0 0 "[ . 1 . 2]" 1 680 1 24 LEU HA 1 24 LEU MD1 . . 4.580 3.597 3.593 3.601 . 0 0 "[ . 1 . 2]" 1 681 1 24 LEU HA 1 24 LEU MD2 . . 3.800 3.102 3.084 3.116 . 0 0 "[ . 1 . 2]" 1 682 1 24 LEU HA 1 24 LEU HG . . 3.440 2.319 2.315 2.324 . 0 0 "[ . 1 . 2]" 1 683 1 24 LEU HA 1 26 ASP H . . 4.340 4.251 4.099 4.346 0.006 3 0 "[ . 1 . 2]" 1 684 1 24 LEU HA 1 27 ALA H . . 3.930 3.555 3.431 3.571 . 0 0 "[ . 1 . 2]" 1 685 1 24 LEU HA 1 27 ALA MB . . 3.290 2.977 2.851 3.000 . 0 0 "[ . 1 . 2]" 1 686 1 24 LEU HA 1 28 LEU MD1 . . 5.500 5.158 5.140 5.176 . 0 0 "[ . 1 . 2]" 1 687 1 24 LEU HA 1 28 LEU HG . . 4.570 4.450 4.396 4.472 . 0 0 "[ . 1 . 2]" 1 688 1 24 LEU HB2 1 24 LEU MD1 . . 3.630 1.999 1.996 2.002 . 0 0 "[ . 1 . 2]" 1 689 1 24 LEU HB2 1 25 THR H . . 3.650 3.520 3.504 3.541 . 0 0 "[ . 1 . 2]" 1 690 1 24 LEU HB2 1 39 VAL MG1 . . 3.860 2.951 2.880 2.978 . 0 0 "[ . 1 . 2]" 1 691 1 24 LEU HB2 1 43 MET HB3 . . 4.300 4.173 4.125 4.226 . 0 0 "[ . 1 . 2]" 1 692 1 24 LEU HB3 1 24 LEU MD1 . . 2.910 2.657 2.654 2.660 . 0 0 "[ . 1 . 2]" 1 693 1 24 LEU HB3 1 24 LEU MD2 . . 3.190 2.205 2.199 2.211 . 0 0 "[ . 1 . 2]" 1 694 1 24 LEU HB3 1 25 THR H . . 3.440 2.345 2.325 2.365 . 0 0 "[ . 1 . 2]" 1 695 1 24 LEU HB3 1 25 THR HA . . 4.270 3.908 3.898 3.919 . 0 0 "[ . 1 . 2]" 1 696 1 24 LEU HB3 1 27 ALA H . . 5.500 5.173 5.139 5.185 . 0 0 "[ . 1 . 2]" 1 697 1 24 LEU HB3 1 28 LEU MD1 . . 4.630 4.116 4.070 4.236 . 0 0 "[ . 1 . 2]" 1 698 1 24 LEU HB3 1 39 VAL HB . . 4.550 4.327 4.213 4.356 . 0 0 "[ . 1 . 2]" 1 699 1 24 LEU HB3 1 39 VAL MG1 . . 3.930 1.799 1.785 1.817 . 0 0 "[ . 1 . 2]" 1 700 1 24 LEU HB3 1 43 MET HB3 . . 4.820 4.587 4.560 4.640 . 0 0 "[ . 1 . 2]" 1 701 1 24 LEU HB3 1 43 MET HG2 . . 5.500 4.371 4.338 4.411 . 0 0 "[ . 1 . 2]" 1 702 1 24 LEU MD1 1 25 THR H . . 5.500 4.595 4.578 4.613 . 0 0 "[ . 1 . 2]" 1 703 1 24 LEU MD1 1 39 VAL HA . . 3.620 3.664 3.626 3.675 0.055 16 0 "[ . 1 . 2]" 1 704 1 24 LEU MD1 1 42 MET HG2 . . 4.360 2.991 2.873 3.124 . 0 0 "[ . 1 . 2]" 1 705 1 24 LEU MD1 1 43 MET H . . 4.680 3.084 2.988 3.181 . 0 0 "[ . 1 . 2]" 1 706 1 24 LEU MD1 1 43 MET HA . . 4.790 3.211 3.190 3.246 . 0 0 "[ . 1 . 2]" 1 707 1 24 LEU MD1 1 43 MET HB3 . . 3.080 1.859 1.844 1.904 . 0 0 "[ . 1 . 2]" 1 708 1 24 LEU MD1 1 43 MET HG2 . . 4.920 2.775 2.751 2.805 . 0 0 "[ . 1 . 2]" 1 709 1 24 LEU MD2 1 27 ALA H . . 5.500 4.168 4.149 4.218 . 0 0 "[ . 1 . 2]" 1 710 1 24 LEU MD2 1 39 VAL HA . . 5.500 2.411 2.346 2.445 . 0 0 "[ . 1 . 2]" 1 711 1 24 LEU MD2 1 43 MET HG2 . . 5.500 4.013 3.998 4.026 . 0 0 "[ . 1 . 2]" 1 712 1 24 LEU HG 1 25 THR H . . 4.920 4.707 4.690 4.719 . 0 0 "[ . 1 . 2]" 1 713 1 24 LEU HG 1 27 ALA H . . 5.500 5.131 5.078 5.149 . 0 0 "[ . 1 . 2]" 1 714 1 24 LEU HG 1 27 ALA MB . . 5.500 3.846 3.766 3.880 . 0 0 "[ . 1 . 2]" 1 715 1 24 LEU HG 1 39 VAL HA . . 5.500 5.435 5.363 5.472 . 0 0 "[ . 1 . 2]" 1 716 1 25 THR H 1 25 THR HB . . 2.980 2.480 2.391 2.536 . 0 0 "[ . 1 . 2]" 1 717 1 25 THR H 1 25 THR MG . . 4.060 2.215 2.077 2.408 . 0 0 "[ . 1 . 2]" 1 718 1 25 THR H 1 26 ASP H . . 3.130 2.820 2.758 2.844 . 0 0 "[ . 1 . 2]" 1 719 1 25 THR H 1 26 ASP HA . . 5.500 5.386 5.342 5.410 . 0 0 "[ . 1 . 2]" 1 720 1 25 THR H 1 27 ALA H . . 5.500 4.154 4.099 4.169 . 0 0 "[ . 1 . 2]" 1 721 1 25 THR H 1 27 ALA MB . . 5.500 4.990 4.910 5.008 . 0 0 "[ . 1 . 2]" 1 722 1 25 THR H 1 28 LEU HB2 . . 5.500 5.566 5.546 5.657 0.157 2 0 "[ . 1 . 2]" 1 723 1 25 THR H 1 39 VAL HA . . 5.500 5.514 5.464 5.541 0.041 20 0 "[ . 1 . 2]" 1 724 1 25 THR H 1 39 VAL MG1 . . 3.750 2.544 2.497 2.650 . 0 0 "[ . 1 . 2]" 1 725 1 25 THR H 1 39 VAL MG2 . . 4.330 2.700 2.544 2.726 . 0 0 "[ . 1 . 2]" 1 726 1 25 THR HA 1 26 ASP HA . . 4.870 4.845 4.785 4.852 . 0 0 "[ . 1 . 2]" 1 727 1 25 THR HA 1 26 ASP QB . . 5.340 5.328 5.191 5.463 0.123 17 0 "[ . 1 . 2]" 1 728 1 25 THR HA 1 27 ALA H . . 4.370 3.794 3.782 3.884 . 0 0 "[ . 1 . 2]" 1 729 1 25 THR HA 1 28 LEU HB2 . . 3.620 3.016 2.990 3.135 . 0 0 "[ . 1 . 2]" 1 730 1 25 THR HA 1 28 LEU HB3 . . 4.810 4.728 4.701 4.826 0.016 2 0 "[ . 1 . 2]" 1 731 1 25 THR HA 1 28 LEU MD1 . . 5.500 3.547 3.515 3.575 . 0 0 "[ . 1 . 2]" 1 732 1 25 THR HA 1 29 ARG H . . 4.840 3.799 3.645 3.826 . 0 0 "[ . 1 . 2]" 1 733 1 25 THR HA 1 39 VAL HA . . 5.010 4.817 4.790 4.871 . 0 0 "[ . 1 . 2]" 1 734 1 25 THR HA 1 39 VAL HB . . 5.500 4.485 4.440 4.530 . 0 0 "[ . 1 . 2]" 1 735 1 25 THR HA 1 39 VAL MG1 . . 4.680 3.591 3.565 3.748 . 0 0 "[ . 1 . 2]" 1 736 1 25 THR HA 1 39 VAL MG2 . . 2.890 1.909 1.895 1.949 . 0 0 "[ . 1 . 2]" 1 737 1 25 THR HB 1 26 ASP H . . 4.180 3.897 3.885 3.911 . 0 0 "[ . 1 . 2]" 1 738 1 25 THR HB 1 39 VAL MG1 . . 5.190 3.053 2.912 3.259 . 0 0 "[ . 1 . 2]" 1 739 1 25 THR MG 1 26 ASP H . . 3.980 1.924 1.892 1.988 . 0 0 "[ . 1 . 2]" 1 740 1 25 THR MG 1 26 ASP HA . . 3.460 3.184 3.151 3.202 . 0 0 "[ . 1 . 2]" 1 741 1 25 THR MG 1 26 ASP QB . . 4.400 3.418 3.109 3.738 . 0 0 "[ . 1 . 2]" 1 742 1 25 THR MG 1 27 ALA H . . 5.500 4.109 4.092 4.124 . 0 0 "[ . 1 . 2]" 1 743 1 25 THR MG 1 29 ARG H . . 5.500 4.962 4.923 5.011 . 0 0 "[ . 1 . 2]" 1 744 1 25 THR MG 1 29 ARG HB3 . . 5.000 4.187 4.095 4.533 . 0 0 "[ . 1 . 2]" 1 745 1 25 THR MG 1 29 ARG HG2 . . 4.070 3.567 3.476 3.899 . 0 0 "[ . 1 . 2]" 1 746 1 25 THR MG 1 29 ARG HG3 . . 5.500 4.703 4.627 4.976 . 0 0 "[ . 1 . 2]" 1 747 1 25 THR MG 1 36 ALA HA . . 5.160 4.361 4.180 4.404 . 0 0 "[ . 1 . 2]" 1 748 1 25 THR MG 1 39 VAL HB . . 5.500 4.892 4.783 4.935 . 0 0 "[ . 1 . 2]" 1 749 1 26 ASP H 1 26 ASP QB . . 2.750 2.307 2.044 2.580 . 0 0 "[ . 1 . 2]" 1 750 1 26 ASP H 1 27 ALA MB . . 4.630 4.312 4.182 4.332 . 0 0 "[ . 1 . 2]" 1 751 1 26 ASP H 1 28 LEU H . . 5.350 4.714 4.651 4.808 . 0 0 "[ . 1 . 2]" 1 752 1 26 ASP H 1 29 ARG H . . 5.060 4.804 4.794 4.889 . 0 0 "[ . 1 . 2]" 1 753 1 26 ASP H 1 29 ARG HG3 . . 5.020 4.651 4.617 4.892 . 0 0 "[ . 1 . 2]" 1 754 1 26 ASP HA 1 28 LEU H . . 5.500 5.204 5.176 5.259 . 0 0 "[ . 1 . 2]" 1 755 1 26 ASP HA 1 29 ARG H . . 4.490 3.934 3.912 4.066 . 0 0 "[ . 1 . 2]" 1 756 1 26 ASP HA 1 29 ARG HD2 . . 3.800 3.602 3.434 3.832 0.032 2 0 "[ . 1 . 2]" 1 757 1 26 ASP QB 1 27 ALA H . . 3.430 2.942 2.896 3.014 . 0 0 "[ . 1 . 2]" 1 758 1 26 ASP QB 1 27 ALA HA . . 4.920 3.954 3.906 3.998 . 0 0 "[ . 1 . 2]" 1 759 1 26 ASP QB 1 29 ARG H . . 5.340 5.124 5.078 5.325 . 0 0 "[ . 1 . 2]" 1 760 1 26 ASP QB 1 30 THR H . . 5.340 5.298 5.220 5.377 0.037 1 0 "[ . 1 . 2]" 1 761 1 26 ASP QB 1 30 THR HB . . 5.340 5.233 5.116 5.319 . 0 0 "[ . 1 . 2]" 1 762 1 26 ASP HB2 1 27 ALA H . . 3.990 3.241 2.970 3.536 . 0 0 "[ . 1 . 2]" 1 763 1 26 ASP HB2 1 27 ALA MB . . 5.500 4.307 3.921 4.723 . 0 0 "[ . 1 . 2]" 1 764 1 26 ASP HB3 1 27 ALA H . . 3.990 3.622 3.198 4.020 0.030 17 0 "[ . 1 . 2]" 1 765 1 26 ASP HB3 1 27 ALA MB . . 5.500 4.479 4.025 4.919 . 0 0 "[ . 1 . 2]" 1 766 1 27 ALA H 1 27 ALA MB . . 2.840 2.126 2.117 2.153 . 0 0 "[ . 1 . 2]" 1 767 1 27 ALA H 1 28 LEU H . . 3.240 2.604 2.580 2.678 . 0 0 "[ . 1 . 2]" 1 768 1 27 ALA H 1 28 LEU HB2 . . 5.060 4.800 4.747 4.816 . 0 0 "[ . 1 . 2]" 1 769 1 27 ALA H 1 28 LEU MD2 . . 4.930 4.523 4.477 4.646 . 0 0 "[ . 1 . 2]" 1 770 1 27 ALA H 1 28 LEU HG . . 4.200 4.084 4.049 4.157 . 0 0 "[ . 1 . 2]" 1 771 1 27 ALA H 1 29 ARG H . . 3.860 3.510 3.478 3.740 . 0 0 "[ . 1 . 2]" 1 772 1 27 ALA H 1 29 ARG HG2 . . 5.500 4.638 4.616 4.650 . 0 0 "[ . 1 . 2]" 1 773 1 27 ALA H 1 30 THR HB . . 5.340 5.159 5.121 5.171 . 0 0 "[ . 1 . 2]" 1 774 1 27 ALA HA 1 28 LEU HG . . 5.500 5.510 5.492 5.569 0.069 2 0 "[ . 1 . 2]" 1 775 1 27 ALA HA 1 29 ARG H . . 4.980 3.967 3.909 4.387 . 0 0 "[ . 1 . 2]" 1 776 1 27 ALA HA 1 29 ARG HD2 . . 5.500 5.509 5.499 5.519 0.019 20 0 "[ . 1 . 2]" 1 777 1 27 ALA HA 1 30 THR H . . 3.890 3.298 3.277 3.417 . 0 0 "[ . 1 . 2]" 1 778 1 27 ALA HA 1 30 THR HB . . 3.870 2.723 2.702 2.753 . 0 0 "[ . 1 . 2]" 1 779 1 27 ALA HA 1 31 LEU H . . 4.460 4.124 3.859 4.203 . 0 0 "[ . 1 . 2]" 1 780 1 27 ALA HA 1 31 LEU HB2 . . 5.500 5.632 5.558 5.660 0.160 14 0 "[ . 1 . 2]" 1 781 1 27 ALA HA 1 31 LEU MD1 . . 5.500 4.222 4.169 4.437 . 0 0 "[ . 1 . 2]" 1 782 1 27 ALA HA 1 31 LEU MD2 . . 4.820 3.714 3.616 4.004 . 0 0 "[ . 1 . 2]" 1 783 1 27 ALA HA 1 31 LEU HG . . 5.500 3.495 3.474 3.561 . 0 0 "[ . 1 . 2]" 1 784 1 27 ALA HA 1 77 PHE HE2 . . 3.630 2.144 1.991 2.642 . 0 0 "[ . 1 . 2]" 1 785 1 27 ALA MB 1 28 LEU H . . 3.810 2.280 2.142 2.322 . 0 0 "[ . 1 . 2]" 1 786 1 27 ALA MB 1 28 LEU HA . . 4.250 3.607 3.591 3.614 . 0 0 "[ . 1 . 2]" 1 787 1 27 ALA MB 1 28 LEU HB2 . . 5.400 4.555 4.490 4.585 . 0 0 "[ . 1 . 2]" 1 788 1 27 ALA MB 1 28 LEU HB3 . . 5.500 4.945 4.920 4.983 . 0 0 "[ . 1 . 2]" 1 789 1 27 ALA MB 1 28 LEU HG . . 3.820 3.307 3.255 3.338 . 0 0 "[ . 1 . 2]" 1 790 1 27 ALA MB 1 29 ARG H . . 5.240 4.075 4.045 4.272 . 0 0 "[ . 1 . 2]" 1 791 1 27 ALA MB 1 77 PHE HD2 . . 5.500 3.012 2.921 3.427 . 0 0 "[ . 1 . 2]" 1 792 1 27 ALA MB 1 77 PHE HE2 . . 4.210 1.957 1.952 1.973 . 0 0 "[ . 1 . 2]" 1 793 1 28 LEU H 1 28 LEU HB2 . . 3.110 2.712 2.688 2.728 . 0 0 "[ . 1 . 2]" 1 794 1 28 LEU H 1 28 LEU HB3 . . 3.690 3.570 3.567 3.577 . 0 0 "[ . 1 . 2]" 1 795 1 28 LEU H 1 28 LEU MD2 . . 4.900 2.506 2.480 2.572 . 0 0 "[ . 1 . 2]" 1 796 1 28 LEU H 1 28 LEU HG . . 2.980 2.036 2.011 2.069 . 0 0 "[ . 1 . 2]" 1 797 1 28 LEU H 1 29 ARG H . . 3.010 2.693 2.672 2.823 . 0 0 "[ . 1 . 2]" 1 798 1 28 LEU H 1 29 ARG HA . . 5.500 5.289 5.270 5.402 . 0 0 "[ . 1 . 2]" 1 799 1 28 LEU H 1 29 ARG HB3 . . 4.990 4.863 4.830 5.053 0.063 2 0 "[ . 1 . 2]" 1 800 1 28 LEU H 1 30 THR H . . 4.200 4.094 4.066 4.100 . 0 0 "[ . 1 . 2]" 1 801 1 28 LEU HA 1 28 LEU HB3 . . 2.770 2.372 2.366 2.398 . 0 0 "[ . 1 . 2]" 1 802 1 28 LEU HA 1 28 LEU MD2 . . 3.000 2.205 2.143 2.225 . 0 0 "[ . 1 . 2]" 1 803 1 28 LEU HA 1 31 LEU H . . 4.050 3.503 3.442 3.524 . 0 0 "[ . 1 . 2]" 1 804 1 28 LEU HA 1 31 LEU HB2 . . 3.710 3.535 2.843 3.679 . 0 0 "[ . 1 . 2]" 1 805 1 28 LEU HA 1 31 LEU HG . . 5.500 3.763 3.208 3.841 . 0 0 "[ . 1 . 2]" 1 806 1 28 LEU HA 1 32 GLY H . . 4.320 3.407 3.273 4.194 . 0 0 "[ . 1 . 2]" 1 807 1 28 LEU HA 1 33 SER H . . 5.500 4.394 4.358 4.703 . 0 0 "[ . 1 . 2]" 1 808 1 28 LEU HA 1 34 THR MG . . 4.960 3.722 3.702 3.772 . 0 0 "[ . 1 . 2]" 1 809 1 28 LEU HB2 1 28 LEU MD1 . . 2.860 2.451 2.409 2.464 . 0 0 "[ . 1 . 2]" 1 810 1 28 LEU HB2 1 29 ARG H . . 3.430 3.025 2.601 3.085 . 0 0 "[ . 1 . 2]" 1 811 1 28 LEU HB2 1 29 ARG HA . . 4.480 4.252 4.125 4.275 . 0 0 "[ . 1 . 2]" 1 812 1 28 LEU HB2 1 33 SER H . . 5.500 5.206 5.094 5.232 . 0 0 "[ . 1 . 2]" 1 813 1 28 LEU HB2 1 34 THR HA . . 5.500 5.685 5.666 5.817 0.317 2 0 "[ . 1 . 2]" 1 814 1 28 LEU HB2 1 34 THR HB . . 5.040 4.121 4.100 4.155 . 0 0 "[ . 1 . 2]" 1 815 1 28 LEU HB2 1 34 THR MG . . 3.940 1.918 1.890 1.923 . 0 0 "[ . 1 . 2]" 1 816 1 28 LEU HB2 1 39 VAL MG2 . . 4.650 3.133 3.077 3.419 . 0 0 "[ . 1 . 2]" 1 817 1 28 LEU HB3 1 28 LEU MD1 . . 2.960 2.170 2.160 2.205 . 0 0 "[ . 1 . 2]" 1 818 1 28 LEU HB3 1 28 LEU MD2 . . 2.630 2.421 2.399 2.436 . 0 0 "[ . 1 . 2]" 1 819 1 28 LEU HB3 1 29 ARG H . . 4.390 4.104 3.796 4.149 . 0 0 "[ . 1 . 2]" 1 820 1 28 LEU HB3 1 32 GLY H . . 5.500 4.759 4.661 5.416 . 0 0 "[ . 1 . 2]" 1 821 1 28 LEU HB3 1 33 SER H . . 5.150 4.971 4.478 5.054 . 0 0 "[ . 1 . 2]" 1 822 1 28 LEU HB3 1 34 THR HB . . 3.990 3.493 3.470 3.661 . 0 0 "[ . 1 . 2]" 1 823 1 28 LEU HB3 1 34 THR MG . . 3.280 1.955 1.936 2.043 . 0 0 "[ . 1 . 2]" 1 824 1 28 LEU HB3 1 39 VAL MG2 . . 5.500 4.140 4.077 4.406 . 0 0 "[ . 1 . 2]" 1 825 1 28 LEU MD1 1 34 THR HB . . 4.400 4.250 4.099 4.283 . 0 0 "[ . 1 . 2]" 1 826 1 28 LEU MD1 1 38 GLU H . . 5.500 4.908 4.878 4.963 . 0 0 "[ . 1 . 2]" 1 827 1 28 LEU MD1 1 39 VAL H . . 5.500 3.967 3.828 4.132 . 0 0 "[ . 1 . 2]" 1 828 1 28 LEU MD1 1 39 VAL HA . . 3.070 2.347 2.307 2.519 . 0 0 "[ . 1 . 2]" 1 829 1 28 LEU MD1 1 42 MET H . . 5.500 4.429 4.375 4.603 . 0 0 "[ . 1 . 2]" 1 830 1 28 LEU MD1 1 42 MET HG2 . . 5.500 3.337 3.202 3.768 . 0 0 "[ . 1 . 2]" 1 831 1 28 LEU MD1 1 42 MET HG3 . . 5.500 4.259 4.199 4.450 . 0 0 "[ . 1 . 2]" 1 832 1 28 LEU MD2 1 29 ARG H . . 5.500 4.420 4.401 4.466 . 0 0 "[ . 1 . 2]" 1 833 1 28 LEU HG 1 29 ARG H . . 5.300 4.205 4.070 4.235 . 0 0 "[ . 1 . 2]" 1 834 1 29 ARG H 1 29 ARG HB3 . . 2.920 2.531 2.392 2.555 . 0 0 "[ . 1 . 2]" 1 835 1 29 ARG H 1 29 ARG HD2 . . 4.900 4.468 4.347 4.725 . 0 0 "[ . 1 . 2]" 1 836 1 29 ARG H 1 29 ARG HD3 . . 5.270 4.511 4.427 4.653 . 0 0 "[ . 1 . 2]" 1 837 1 29 ARG H 1 29 ARG HG2 . . 3.840 3.378 3.248 3.395 . 0 0 "[ . 1 . 2]" 1 838 1 29 ARG H 1 29 ARG HG3 . . 3.110 2.384 2.361 2.516 . 0 0 "[ . 1 . 2]" 1 839 1 29 ARG H 1 30 THR H . . 3.120 2.299 2.259 2.571 . 0 0 "[ . 1 . 2]" 1 840 1 29 ARG H 1 30 THR HA . . 5.340 4.970 4.936 5.207 . 0 0 "[ . 1 . 2]" 1 841 1 29 ARG H 1 31 LEU H . . 4.240 3.877 3.829 4.271 0.031 3 0 "[ . 1 . 2]" 1 842 1 29 ARG H 1 32 GLY H . . 5.500 4.261 4.168 4.852 . 0 0 "[ . 1 . 2]" 1 843 1 29 ARG H 1 34 THR MG . . 5.500 3.476 2.948 3.548 . 0 0 "[ . 1 . 2]" 1 844 1 29 ARG HA 1 29 ARG HD3 . . 3.860 3.688 3.629 3.842 . 0 0 "[ . 1 . 2]" 1 845 1 29 ARG HA 1 29 ARG HG3 . . 3.700 3.629 3.603 3.632 . 0 0 "[ . 1 . 2]" 1 846 1 29 ARG HA 1 31 LEU H . . 4.860 4.355 4.240 4.815 . 0 0 "[ . 1 . 2]" 1 847 1 29 ARG HA 1 32 GLY H . . 4.110 3.569 3.501 3.819 . 0 0 "[ . 1 . 2]" 1 848 1 29 ARG HA 1 33 SER H . . 3.820 2.228 2.048 3.128 . 0 0 "[ . 1 . 2]" 1 849 1 29 ARG HA 1 33 SER HA . . 5.160 2.034 1.952 2.113 . 0 0 "[ . 1 . 2]" 1 850 1 29 ARG HA 1 34 THR H . . 5.500 1.922 1.894 2.173 . 0 0 "[ . 1 . 2]" 1 851 1 29 ARG HA 1 34 THR MG . . 3.750 3.169 2.847 3.212 . 0 0 "[ . 1 . 2]" 1 852 1 29 ARG HB2 1 29 ARG HD3 . . 2.730 2.123 2.002 2.239 . 0 0 "[ . 1 . 2]" 1 853 1 29 ARG HB2 1 30 THR H . . 4.510 4.163 4.072 4.178 . 0 0 "[ . 1 . 2]" 1 854 1 29 ARG HB2 1 30 THR HA . . 5.120 4.854 4.785 4.864 . 0 0 "[ . 1 . 2]" 1 855 1 29 ARG HB2 1 33 SER H . . 5.500 4.333 4.161 5.368 . 0 0 "[ . 1 . 2]" 1 856 1 29 ARG HB3 1 29 ARG HG2 . . 2.400 2.258 2.235 2.260 . 0 0 "[ . 1 . 2]" 1 857 1 29 ARG HB3 1 29 ARG HG3 . . 2.740 2.663 2.657 2.710 . 0 0 "[ . 1 . 2]" 1 858 1 29 ARG HB3 1 30 THR H . . 4.780 3.976 3.924 3.986 . 0 0 "[ . 1 . 2]" 1 859 1 29 ARG HB3 1 33 SER H . . 5.500 4.701 4.539 5.593 0.093 3 0 "[ . 1 . 2]" 1 860 1 29 ARG HB3 1 34 THR HB . . 5.500 5.694 5.441 5.730 0.230 13 0 "[ . 1 . 2]" 1 861 1 29 ARG HB3 1 34 THR MG . . 3.640 3.413 3.167 3.447 . 0 0 "[ . 1 . 2]" 1 862 1 29 ARG HD2 1 29 ARG HG3 . . 2.890 2.232 2.219 2.268 . 0 0 "[ . 1 . 2]" 1 863 1 29 ARG HD2 1 30 THR H . . 4.690 3.485 3.327 3.621 . 0 0 "[ . 1 . 2]" 1 864 1 29 ARG HD2 1 30 THR HA . . 4.390 3.055 2.803 3.349 . 0 0 "[ . 1 . 2]" 1 865 1 29 ARG HD2 1 30 THR MG . . 5.500 4.176 4.081 4.280 . 0 0 "[ . 1 . 2]" 1 866 1 29 ARG HD3 1 30 THR H . . 5.220 3.969 3.650 4.195 . 0 0 "[ . 1 . 2]" 1 867 1 29 ARG HD3 1 30 THR HA . . 4.850 3.522 3.212 3.823 . 0 0 "[ . 1 . 2]" 1 868 1 29 ARG HG2 1 30 THR H . . 4.310 4.025 3.849 4.054 . 0 0 "[ . 1 . 2]" 1 869 1 29 ARG HG2 1 30 THR HA . . 5.500 5.260 5.235 5.270 . 0 0 "[ . 1 . 2]" 1 870 1 29 ARG HG3 1 30 THR H . . 4.920 2.303 2.116 2.334 . 0 0 "[ . 1 . 2]" 1 871 1 29 ARG HG3 1 30 THR HA . . 5.500 3.857 3.789 3.875 . 0 0 "[ . 1 . 2]" 1 872 1 29 ARG HG3 1 30 THR HB . . 5.500 3.916 3.833 3.940 . 0 0 "[ . 1 . 2]" 1 873 1 29 ARG HG3 1 34 THR MG . . 5.500 5.166 4.841 5.208 . 0 0 "[ . 1 . 2]" 1 874 1 30 THR H 1 30 THR HB . . 3.210 2.436 2.422 2.441 . 0 0 "[ . 1 . 2]" 1 875 1 30 THR H 1 30 THR MG . . 4.380 3.761 3.755 3.764 . 0 0 "[ . 1 . 2]" 1 876 1 30 THR H 1 31 LEU H . . 3.230 2.289 2.254 2.438 . 0 0 "[ . 1 . 2]" 1 877 1 30 THR H 1 31 LEU MD2 . . 5.500 3.928 3.812 4.481 . 0 0 "[ . 1 . 2]" 1 878 1 30 THR H 1 31 LEU HG . . 4.910 3.805 3.760 3.989 . 0 0 "[ . 1 . 2]" 1 879 1 30 THR HA 1 30 THR MG . . 3.270 2.440 2.380 2.453 . 0 0 "[ . 1 . 2]" 1 880 1 30 THR HA 1 31 LEU HG . . 5.500 5.248 5.182 5.553 0.053 3 0 "[ . 1 . 2]" 1 881 1 30 THR HA 1 32 GLY H . . 4.870 4.408 3.825 4.500 . 0 0 "[ . 1 . 2]" 1 882 1 30 THR HA 1 33 SER H . . 5.500 4.433 4.255 5.882 0.382 3 0 "[ . 1 . 2]" 1 883 1 30 THR HA 1 77 PHE HE1 . . 5.500 5.487 5.323 5.539 0.039 14 0 "[ . 1 . 2]" 1 884 1 30 THR HB 1 31 LEU H . . 3.460 2.883 2.514 2.998 . 0 0 "[ . 1 . 2]" 1 885 1 30 THR HB 1 31 LEU MD2 . . 3.520 2.376 2.174 3.140 . 0 0 "[ . 1 . 2]" 1 886 1 30 THR HB 1 31 LEU HG . . 4.390 3.207 3.167 3.500 . 0 0 "[ . 1 . 2]" 1 887 1 30 THR HB 1 77 PHE HE1 . . 3.720 3.473 3.382 3.508 . 0 0 "[ . 1 . 2]" 1 888 1 30 THR MG 1 31 LEU H . . 3.990 3.524 3.238 3.604 . 0 0 "[ . 1 . 2]" 1 889 1 30 THR MG 1 31 LEU HA . . 3.940 3.524 3.281 3.584 . 0 0 "[ . 1 . 2]" 1 890 1 30 THR MG 1 31 LEU MD2 . . 3.070 1.928 1.850 2.538 . 0 0 "[ . 1 . 2]" 1 891 1 30 THR MG 1 31 LEU HG . . 5.500 3.775 3.646 4.112 . 0 0 "[ . 1 . 2]" 1 892 1 30 THR MG 1 32 GLY H . . 5.500 4.960 4.538 5.024 . 0 0 "[ . 1 . 2]" 1 893 1 30 THR MG 1 77 PHE HE1 . . 4.360 1.967 1.849 2.076 . 0 0 "[ . 1 . 2]" 1 894 1 31 LEU H 1 31 LEU HB2 . . 2.910 2.831 2.620 2.878 . 0 0 "[ . 1 . 2]" 1 895 1 31 LEU H 1 31 LEU MD1 . . 5.500 3.906 3.734 3.931 . 0 0 "[ . 1 . 2]" 1 896 1 31 LEU H 1 31 LEU MD2 . . 2.770 2.783 2.690 2.890 0.120 20 0 "[ . 1 . 2]" 1 897 1 31 LEU H 1 31 LEU HG . . 3.220 2.349 2.148 2.419 . 0 0 "[ . 1 . 2]" 1 898 1 31 LEU H 1 32 GLY H . . 2.700 2.067 1.996 2.616 . 0 0 "[ . 1 . 2]" 1 899 1 31 LEU H 1 32 GLY QA . . 5.340 4.121 4.057 4.597 . 0 0 "[ . 1 . 2]" 1 900 1 31 LEU H 1 33 SER H . . 5.500 3.431 3.247 5.022 . 0 0 "[ . 1 . 2]" 1 901 1 31 LEU H 1 77 PHE HE1 . . 5.500 5.520 4.886 5.659 0.159 17 0 "[ . 1 . 2]" 1 902 1 31 LEU H 1 77 PHE HE2 . . 5.500 5.601 5.460 5.630 0.130 14 0 "[ . 1 . 2]" 1 903 1 31 LEU HA 1 31 LEU HB3 . . 2.790 2.306 2.287 2.398 . 0 0 "[ . 1 . 2]" 1 904 1 31 LEU HA 1 31 LEU MD2 . . 3.570 2.074 2.031 2.205 . 0 0 "[ . 1 . 2]" 1 905 1 31 LEU HA 1 31 LEU HG . . 3.610 3.579 3.405 3.620 0.010 7 0 "[ . 1 . 2]" 1 906 1 31 LEU HA 1 77 PHE HE1 . . 5.500 5.575 4.780 5.689 0.189 20 0 "[ . 1 . 2]" 1 907 1 31 LEU HB2 1 32 GLY H . . 3.070 3.130 3.079 3.148 0.078 4 0 "[ . 1 . 2]" 1 908 1 31 LEU HB2 1 32 GLY QA . . 5.340 3.843 3.819 3.968 . 0 0 "[ . 1 . 2]" 1 909 1 31 LEU HB2 1 33 SER H . . 5.500 4.960 4.750 5.012 . 0 0 "[ . 1 . 2]" 1 910 1 31 LEU HB3 1 32 GLY H . . 4.410 4.237 4.132 4.264 . 0 0 "[ . 1 . 2]" 1 911 1 31 LEU HB3 1 32 GLY QA . . 5.050 4.650 4.454 4.692 . 0 0 "[ . 1 . 2]" 1 912 1 31 LEU MD1 1 32 GLY H . . 5.500 4.877 4.852 4.995 . 0 0 "[ . 1 . 2]" 1 913 1 31 LEU MD2 1 77 PHE HA . . 5.500 4.767 4.440 4.912 . 0 0 "[ . 1 . 2]" 1 914 1 31 LEU MD2 1 77 PHE HE1 . . 5.200 2.466 2.357 2.813 . 0 0 "[ . 1 . 2]" 1 915 1 31 LEU HG 1 32 GLY H . . 5.500 3.982 3.902 4.355 . 0 0 "[ . 1 . 2]" 1 916 1 31 LEU HG 1 77 PHE HE1 . . 5.300 4.682 4.620 4.839 . 0 0 "[ . 1 . 2]" 1 917 1 32 GLY H 1 32 GLY QA . . 2.570 2.389 2.370 2.490 . 0 0 "[ . 1 . 2]" 1 918 1 32 GLY H 1 33 SER H . . 3.410 1.952 1.811 2.826 . 0 0 "[ . 1 . 2]" 1 919 1 32 GLY H 1 33 SER HA . . 4.940 4.092 4.025 4.119 . 0 0 "[ . 1 . 2]" 1 920 1 32 GLY H 1 34 THR MG . . 5.500 4.786 4.727 5.172 . 0 0 "[ . 1 . 2]" 1 921 1 32 GLY QA 1 33 SER H . . 2.930 2.790 2.352 2.844 . 0 0 "[ . 1 . 2]" 1 922 1 33 SER H 1 34 THR MG . . 5.500 4.190 3.808 4.263 . 0 0 "[ . 1 . 2]" 1 923 1 33 SER HA 1 34 THR H . . 3.190 2.825 2.138 2.913 . 0 0 "[ . 1 . 2]" 1 924 1 33 SER HA 1 34 THR HA . . 4.780 4.591 4.390 4.620 . 0 0 "[ . 1 . 2]" 1 925 1 33 SER HA 1 34 THR MG . . 5.500 4.627 3.979 4.711 . 0 0 "[ . 1 . 2]" 1 926 1 34 THR H 1 34 THR HB . . 4.000 2.609 2.510 3.426 . 0 0 "[ . 1 . 2]" 1 927 1 34 THR H 1 34 THR MG . . 3.160 2.401 2.327 2.846 . 0 0 "[ . 1 . 2]" 1 928 1 34 THR HA 1 34 THR HB . . 2.720 2.591 2.551 2.596 . 0 0 "[ . 1 . 2]" 1 929 1 34 THR HA 1 35 SER H . . 3.220 2.680 2.526 2.696 . 0 0 "[ . 1 . 2]" 1 930 1 34 THR HA 1 35 SER QB . . 5.340 4.468 3.969 4.692 . 0 0 "[ . 1 . 2]" 1 931 1 34 THR HA 1 38 GLU HG2 . . 5.500 5.053 4.882 5.622 0.122 3 0 "[ . 1 . 2]" 1 932 1 34 THR HA 1 38 GLU HG3 . . 5.500 4.691 4.128 4.871 . 0 0 "[ . 1 . 2]" 1 933 1 34 THR HB 1 35 SER H . . 3.750 3.602 3.580 3.766 0.016 3 0 "[ . 1 . 2]" 1 934 1 34 THR HB 1 38 GLU HB3 . . 5.500 5.384 5.237 5.550 0.050 17 0 "[ . 1 . 2]" 1 935 1 34 THR MG 1 35 SER H . . 3.730 2.336 2.294 2.697 . 0 0 "[ . 1 . 2]" 1 936 1 34 THR MG 1 35 SER HA . . 5.500 3.420 3.348 3.451 . 0 0 "[ . 1 . 2]" 1 937 1 34 THR MG 1 36 ALA HA . . 5.480 4.413 4.350 4.656 . 0 0 "[ . 1 . 2]" 1 938 1 34 THR MG 1 38 GLU H . . 4.720 3.784 3.675 4.325 . 0 0 "[ . 1 . 2]" 1 939 1 34 THR MG 1 38 GLU HB2 . . 4.270 2.732 2.605 3.181 . 0 0 "[ . 1 . 2]" 1 940 1 34 THR MG 1 38 GLU HB3 . . 5.500 4.062 3.930 4.477 . 0 0 "[ . 1 . 2]" 1 941 1 34 THR MG 1 39 VAL H . . 5.500 3.937 3.770 4.422 . 0 0 "[ . 1 . 2]" 1 942 1 34 THR MG 1 39 VAL HA . . 5.500 4.396 4.340 4.613 . 0 0 "[ . 1 . 2]" 1 943 1 35 SER H 1 35 SER HB2 . . 3.840 2.781 2.480 2.949 . 0 0 "[ . 1 . 2]" 1 944 1 35 SER H 1 35 SER HB3 . . 3.840 3.605 2.788 3.849 0.009 2 0 "[ . 1 . 2]" 1 945 1 35 SER H 1 36 ALA H . . 5.500 4.379 4.353 4.443 . 0 0 "[ . 1 . 2]" 1 946 1 35 SER H 1 38 GLU H . . 5.500 3.738 3.696 3.783 . 0 0 "[ . 1 . 2]" 1 947 1 35 SER H 1 38 GLU QG . . 5.340 2.857 2.427 2.963 . 0 0 "[ . 1 . 2]" 1 948 1 35 SER H 1 39 VAL MG2 . . 5.500 4.445 4.305 4.566 . 0 0 "[ . 1 . 2]" 1 949 1 35 SER HA 1 36 ALA H . . 3.260 2.670 2.545 2.715 . 0 0 "[ . 1 . 2]" 1 950 1 35 SER HA 1 36 ALA MB . . 4.910 4.223 4.170 4.253 . 0 0 "[ . 1 . 2]" 1 951 1 35 SER HA 1 37 ASP H . . 4.380 4.350 4.225 4.394 0.014 10 0 "[ . 1 . 2]" 1 952 1 35 SER HA 1 38 GLU H . . 5.070 5.039 4.982 5.102 0.032 1 0 "[ . 1 . 2]" 1 953 1 35 SER HA 1 39 VAL H . . 5.500 5.611 5.539 5.647 0.147 5 0 "[ . 1 . 2]" 1 954 1 35 SER QB 1 36 ALA MB . . 5.340 3.664 3.475 4.212 . 0 0 "[ . 1 . 2]" 1 955 1 35 SER QB 1 37 ASP H . . 3.780 2.452 2.360 2.519 . 0 0 "[ . 1 . 2]" 1 956 1 35 SER QB 1 37 ASP QB . . 4.090 2.836 2.682 2.944 . 0 0 "[ . 1 . 2]" 1 957 1 35 SER QB 1 38 GLU H . . 3.820 3.718 3.659 3.777 . 0 0 "[ . 1 . 2]" 1 958 1 35 SER QB 1 38 GLU QG . . 3.780 3.674 3.582 3.722 . 0 0 "[ . 1 . 2]" 1 959 1 35 SER HB2 1 37 ASP H . . 4.320 2.932 2.445 4.174 . 0 0 "[ . 1 . 2]" 1 960 1 35 SER HB3 1 37 ASP H . . 4.320 2.965 2.420 3.302 . 0 0 "[ . 1 . 2]" 1 961 1 36 ALA H 1 36 ALA MB . . 3.580 2.095 2.034 2.142 . 0 0 "[ . 1 . 2]" 1 962 1 36 ALA H 1 37 ASP H . . 3.490 2.532 2.498 2.619 . 0 0 "[ . 1 . 2]" 1 963 1 36 ALA H 1 39 VAL H . . 5.150 4.713 4.696 4.728 . 0 0 "[ . 1 . 2]" 1 964 1 36 ALA HA 1 36 ALA MB . . 2.400 2.093 2.083 2.102 . 0 0 "[ . 1 . 2]" 1 965 1 36 ALA HA 1 38 GLU H . . 4.400 3.630 3.579 3.730 . 0 0 "[ . 1 . 2]" 1 966 1 36 ALA HA 1 38 GLU QG . . 5.340 5.362 5.151 5.387 0.047 20 0 "[ . 1 . 2]" 1 967 1 36 ALA HA 1 39 VAL H . . 3.300 2.706 2.686 2.729 . 0 0 "[ . 1 . 2]" 1 968 1 36 ALA HA 1 39 VAL HA . . 5.500 4.425 4.398 4.439 . 0 0 "[ . 1 . 2]" 1 969 1 36 ALA HA 1 39 VAL HB . . 2.960 1.936 1.881 1.949 . 0 0 "[ . 1 . 2]" 1 970 1 36 ALA HA 1 39 VAL MG1 . . 4.380 3.446 3.401 3.463 . 0 0 "[ . 1 . 2]" 1 971 1 36 ALA HA 1 39 VAL MG2 . . 3.690 1.961 1.953 1.977 . 0 0 "[ . 1 . 2]" 1 972 1 36 ALA HA 1 40 GLN H . . 4.630 3.608 3.560 3.647 . 0 0 "[ . 1 . 2]" 1 973 1 36 ALA HA 1 40 GLN HB3 . . 5.500 5.561 5.531 5.584 0.084 20 0 "[ . 1 . 2]" 1 974 1 36 ALA HA 1 40 GLN HG2 . . 5.090 4.444 4.353 4.535 . 0 0 "[ . 1 . 2]" 1 975 1 36 ALA HA 1 40 GLN HG3 . . 5.500 5.534 5.480 5.593 0.093 13 0 "[ . 1 . 2]" 1 976 1 36 ALA MB 1 37 ASP H . . 3.760 2.924 2.894 2.967 . 0 0 "[ . 1 . 2]" 1 977 1 36 ALA MB 1 37 ASP HA . . 4.140 3.787 3.776 3.808 . 0 0 "[ . 1 . 2]" 1 978 1 36 ALA MB 1 37 ASP QB . . 5.340 4.387 4.190 4.606 . 0 0 "[ . 1 . 2]" 1 979 1 36 ALA MB 1 38 GLU H . . 5.010 4.348 4.312 4.422 . 0 0 "[ . 1 . 2]" 1 980 1 36 ALA MB 1 39 VAL H . . 5.500 3.975 3.937 4.035 . 0 0 "[ . 1 . 2]" 1 981 1 36 ALA MB 1 39 VAL HB . . 4.190 2.960 2.927 3.024 . 0 0 "[ . 1 . 2]" 1 982 1 36 ALA MB 1 40 GLN H . . 5.500 3.759 3.703 3.796 . 0 0 "[ . 1 . 2]" 1 983 1 36 ALA MB 1 40 GLN HG2 . . 4.140 3.542 3.381 3.671 . 0 0 "[ . 1 . 2]" 1 984 1 37 ASP H 1 37 ASP QB . . 2.970 2.206 2.060 2.374 . 0 0 "[ . 1 . 2]" 1 985 1 37 ASP H 1 38 GLU H . . 3.020 2.750 2.730 2.788 . 0 0 "[ . 1 . 2]" 1 986 1 37 ASP H 1 38 GLU QG . . 5.340 4.006 3.971 4.073 . 0 0 "[ . 1 . 2]" 1 987 1 37 ASP H 1 39 VAL H . . 5.070 3.893 3.875 3.945 . 0 0 "[ . 1 . 2]" 1 988 1 37 ASP H 1 39 VAL HB . . 5.020 4.893 4.831 4.921 . 0 0 "[ . 1 . 2]" 1 989 1 37 ASP H 1 40 GLN H . . 5.500 5.273 5.211 5.306 . 0 0 "[ . 1 . 2]" 1 990 1 37 ASP HA 1 37 ASP QB . . 2.550 2.471 2.428 2.525 . 0 0 "[ . 1 . 2]" 1 991 1 37 ASP HA 1 39 VAL H . . 5.500 4.314 4.250 4.468 . 0 0 "[ . 1 . 2]" 1 992 1 37 ASP HA 1 40 GLN H . . 4.770 4.608 4.518 4.655 . 0 0 "[ . 1 . 2]" 1 993 1 37 ASP HA 1 40 GLN HE22 . . 5.500 5.537 5.510 5.558 0.058 12 0 "[ . 1 . 2]" 1 994 1 37 ASP HA 1 40 GLN HG2 . . 5.500 3.328 3.201 3.418 . 0 0 "[ . 1 . 2]" 1 995 1 37 ASP HA 1 40 GLN HG3 . . 3.880 3.794 3.771 3.811 . 0 0 "[ . 1 . 2]" 1 996 1 37 ASP HA 1 41 ARG QG . . 5.340 4.079 3.955 4.277 . 0 0 "[ . 1 . 2]" 1 997 1 37 ASP QB 1 38 GLU H . . 3.310 2.895 2.789 2.968 . 0 0 "[ . 1 . 2]" 1 998 1 37 ASP HB2 1 39 VAL H . . 5.500 5.179 4.863 5.462 . 0 0 "[ . 1 . 2]" 1 999 1 37 ASP HB3 1 39 VAL H . . 5.500 5.166 4.852 5.478 . 0 0 "[ . 1 . 2]" 1 1000 1 38 GLU H 1 38 GLU HB2 . . 2.920 2.773 2.744 2.894 . 0 0 "[ . 1 . 2]" 1 1001 1 38 GLU H 1 38 GLU HB3 . . 3.840 3.718 3.687 3.733 . 0 0 "[ . 1 . 2]" 1 1002 1 38 GLU H 1 38 GLU QG . . 3.280 2.222 2.150 2.260 . 0 0 "[ . 1 . 2]" 1 1003 1 38 GLU H 1 39 VAL H . . 2.850 2.061 2.028 2.119 . 0 0 "[ . 1 . 2]" 1 1004 1 38 GLU H 1 39 VAL HA . . 4.800 4.681 4.646 4.749 . 0 0 "[ . 1 . 2]" 1 1005 1 38 GLU H 1 39 VAL HB . . 5.080 4.202 4.170 4.265 . 0 0 "[ . 1 . 2]" 1 1006 1 38 GLU H 1 39 VAL MG2 . . 4.560 3.677 3.596 3.797 . 0 0 "[ . 1 . 2]" 1 1007 1 38 GLU H 1 40 GLN HG2 . . 5.500 4.811 4.764 4.841 . 0 0 "[ . 1 . 2]" 1 1008 1 38 GLU H 1 40 GLN HG3 . . 5.500 4.931 4.877 4.971 . 0 0 "[ . 1 . 2]" 1 1009 1 38 GLU H 1 41 ARG QG . . 5.340 4.331 4.179 4.640 . 0 0 "[ . 1 . 2]" 1 1010 1 38 GLU HA 1 38 GLU HB3 . . 2.540 2.341 2.293 2.347 . 0 0 "[ . 1 . 2]" 1 1011 1 38 GLU HA 1 38 GLU QG . . 3.490 3.121 2.720 3.157 . 0 0 "[ . 1 . 2]" 1 1012 1 38 GLU HA 1 40 GLN H . . 5.500 4.847 4.742 4.932 . 0 0 "[ . 1 . 2]" 1 1013 1 38 GLU HA 1 41 ARG HB2 . . 3.610 2.938 2.859 2.983 . 0 0 "[ . 1 . 2]" 1 1014 1 38 GLU HA 1 41 ARG QD . . 4.580 3.600 1.980 4.531 . 0 0 "[ . 1 . 2]" 1 1015 1 38 GLU HA 1 41 ARG QG . . 3.480 2.567 2.416 2.831 . 0 0 "[ . 1 . 2]" 1 1016 1 38 GLU HB2 1 39 VAL H . . 3.310 3.194 3.012 3.272 . 0 0 "[ . 1 . 2]" 1 1017 1 38 GLU QG 1 39 VAL H . . 4.840 3.877 3.699 3.925 . 0 0 "[ . 1 . 2]" 1 1018 1 39 VAL H 1 39 VAL HB . . 2.690 2.395 2.366 2.418 . 0 0 "[ . 1 . 2]" 1 1019 1 39 VAL H 1 39 VAL MG2 . . 3.070 2.471 2.389 2.564 . 0 0 "[ . 1 . 2]" 1 1020 1 39 VAL H 1 41 ARG QD . . 5.340 5.268 4.963 5.426 0.086 6 0 "[ . 1 . 2]" 1 1021 1 39 VAL H 1 41 ARG QG . . 5.340 4.147 3.975 4.505 . 0 0 "[ . 1 . 2]" 1 1022 1 39 VAL HA 1 39 VAL MG1 . . 3.200 2.447 2.431 2.485 . 0 0 "[ . 1 . 2]" 1 1023 1 39 VAL HA 1 39 VAL MG2 . . 3.420 2.287 2.215 2.310 . 0 0 "[ . 1 . 2]" 1 1024 1 39 VAL HA 1 40 GLN HA . . 5.410 4.811 4.805 4.819 . 0 0 "[ . 1 . 2]" 1 1025 1 39 VAL HA 1 41 ARG H . . 4.370 3.929 3.906 3.952 . 0 0 "[ . 1 . 2]" 1 1026 1 39 VAL HA 1 42 MET H . . 3.580 3.201 3.186 3.218 . 0 0 "[ . 1 . 2]" 1 1027 1 39 VAL HA 1 42 MET QB . . 3.280 2.545 2.503 2.593 . 0 0 "[ . 1 . 2]" 1 1028 1 39 VAL HA 1 42 MET ME . . 5.500 5.020 4.941 5.065 . 0 0 "[ . 1 . 2]" 1 1029 1 39 VAL HA 1 42 MET HG2 . . 5.230 4.423 4.362 4.567 . 0 0 "[ . 1 . 2]" 1 1030 1 39 VAL HA 1 43 MET H . . 4.350 3.891 3.847 3.961 . 0 0 "[ . 1 . 2]" 1 1031 1 39 VAL HA 1 43 MET HG2 . . 4.990 4.428 4.370 4.488 . 0 0 "[ . 1 . 2]" 1 1032 1 39 VAL HB 1 40 GLN H . . 2.560 2.266 2.227 2.338 . 0 0 "[ . 1 . 2]" 1 1033 1 39 VAL MG1 1 40 GLN H . . 3.400 2.785 2.748 2.809 . 0 0 "[ . 1 . 2]" 1 1034 1 39 VAL MG1 1 41 ARG H . . 5.500 4.393 4.366 4.408 . 0 0 "[ . 1 . 2]" 1 1035 1 39 VAL MG1 1 42 MET H . . 5.500 4.290 4.245 4.340 . 0 0 "[ . 1 . 2]" 1 1036 1 39 VAL MG1 1 43 MET H . . 5.500 3.694 3.605 3.736 . 0 0 "[ . 1 . 2]" 1 1037 1 39 VAL MG1 1 43 MET HB3 . . 4.660 3.494 3.411 3.571 . 0 0 "[ . 1 . 2]" 1 1038 1 39 VAL MG1 1 43 MET HG2 . . 4.840 2.468 2.362 2.503 . 0 0 "[ . 1 . 2]" 1 1039 1 40 GLN H 1 40 GLN HB3 . . 2.850 2.726 2.714 2.737 . 0 0 "[ . 1 . 2]" 1 1040 1 40 GLN H 1 40 GLN HG2 . . 3.430 2.169 2.124 2.209 . 0 0 "[ . 1 . 2]" 1 1041 1 40 GLN H 1 40 GLN HG3 . . 3.470 2.548 2.529 2.572 . 0 0 "[ . 1 . 2]" 1 1042 1 40 GLN H 1 41 ARG QD . . 5.340 4.704 4.254 5.463 0.123 20 0 "[ . 1 . 2]" 1 1043 1 40 GLN H 1 41 ARG QG . . 4.370 3.843 3.808 3.918 . 0 0 "[ . 1 . 2]" 1 1044 1 40 GLN H 1 43 MET HG3 . . 4.950 4.513 4.483 4.543 . 0 0 "[ . 1 . 2]" 1 1045 1 40 GLN HA 1 40 GLN HE21 . . 5.500 4.328 4.288 4.363 . 0 0 "[ . 1 . 2]" 1 1046 1 40 GLN HA 1 40 GLN HG2 . . 4.050 3.800 3.779 3.819 . 0 0 "[ . 1 . 2]" 1 1047 1 40 GLN HA 1 40 GLN HG3 . . 3.770 3.646 3.635 3.657 . 0 0 "[ . 1 . 2]" 1 1048 1 40 GLN HA 1 43 MET H . . 4.000 3.697 3.648 3.739 . 0 0 "[ . 1 . 2]" 1 1049 1 40 GLN HA 1 43 MET HB3 . . 4.570 4.591 4.560 4.612 0.042 3 0 "[ . 1 . 2]" 1 1050 1 40 GLN HA 1 43 MET HG2 . . 3.110 2.527 2.485 2.567 . 0 0 "[ . 1 . 2]" 1 1051 1 40 GLN HA 1 43 MET HG3 . . 4.160 2.325 2.293 2.361 . 0 0 "[ . 1 . 2]" 1 1052 1 40 GLN HA 1 44 ALA H . . 4.220 3.948 3.863 3.997 . 0 0 "[ . 1 . 2]" 1 1053 1 40 GLN HB2 1 40 GLN HG3 . . 2.670 2.628 2.610 2.644 . 0 0 "[ . 1 . 2]" 1 1054 1 40 GLN HB2 1 41 ARG H . . 3.940 3.807 3.785 3.821 . 0 0 "[ . 1 . 2]" 1 1055 1 40 GLN HB2 1 43 MET HG3 . . 5.500 4.446 4.415 4.468 . 0 0 "[ . 1 . 2]" 1 1056 1 40 GLN HB3 1 40 GLN HG2 . . 2.560 2.288 2.277 2.299 . 0 0 "[ . 1 . 2]" 1 1057 1 40 GLN HB3 1 43 MET HG3 . . 5.500 4.651 4.608 4.693 . 0 0 "[ . 1 . 2]" 1 1058 1 40 GLN HE21 1 41 ARG HA . . 4.460 4.077 4.003 4.183 . 0 0 "[ . 1 . 2]" 1 1059 1 40 GLN HG2 1 41 ARG H . . 3.930 3.618 3.585 3.646 . 0 0 "[ . 1 . 2]" 1 1060 1 40 GLN HG3 1 41 ARG H . . 5.010 2.299 2.248 2.350 . 0 0 "[ . 1 . 2]" 1 1061 1 40 GLN HG3 1 41 ARG HA . . 4.100 4.016 4.006 4.032 . 0 0 "[ . 1 . 2]" 1 1062 1 40 GLN HG3 1 41 ARG QD . . 4.340 2.711 1.971 4.106 . 0 0 "[ . 1 . 2]" 1 1063 1 41 ARG H 1 41 ARG HB2 . . 2.930 2.730 2.655 2.774 . 0 0 "[ . 1 . 2]" 1 1064 1 41 ARG H 1 41 ARG HD2 . . 5.100 3.681 3.443 3.996 . 0 0 "[ . 1 . 2]" 1 1065 1 41 ARG H 1 41 ARG QD . . 4.420 3.170 2.805 3.754 . 0 0 "[ . 1 . 2]" 1 1066 1 41 ARG H 1 41 ARG HD3 . . 5.100 3.570 2.907 4.577 . 0 0 "[ . 1 . 2]" 1 1067 1 41 ARG H 1 41 ARG HG2 . . 3.630 2.428 1.956 3.303 . 0 0 "[ . 1 . 2]" 1 1068 1 41 ARG H 1 41 ARG HG3 . . 3.630 3.033 2.040 3.568 . 0 0 "[ . 1 . 2]" 1 1069 1 41 ARG H 1 42 MET H . . 2.590 2.331 2.322 2.348 . 0 0 "[ . 1 . 2]" 1 1070 1 41 ARG H 1 43 MET H . . 4.570 3.994 3.937 4.052 . 0 0 "[ . 1 . 2]" 1 1071 1 41 ARG H 1 43 MET HG2 . . 5.270 4.944 4.888 4.988 . 0 0 "[ . 1 . 2]" 1 1072 1 41 ARG H 1 43 MET HG3 . . 4.890 4.224 4.169 4.272 . 0 0 "[ . 1 . 2]" 1 1073 1 41 ARG HA 1 41 ARG HB3 . . 2.770 2.346 2.329 2.377 . 0 0 "[ . 1 . 2]" 1 1074 1 41 ARG HA 1 41 ARG QD . . 4.100 2.813 2.082 4.092 . 0 0 "[ . 1 . 2]" 1 1075 1 41 ARG HA 1 41 ARG HG2 . . 4.060 3.172 2.723 3.417 . 0 0 "[ . 1 . 2]" 1 1076 1 41 ARG HA 1 41 ARG QG . . 3.470 2.988 2.595 3.202 . 0 0 "[ . 1 . 2]" 1 1077 1 41 ARG HA 1 41 ARG HG3 . . 4.060 3.655 3.230 3.878 . 0 0 "[ . 1 . 2]" 1 1078 1 41 ARG HA 1 43 MET H . . 5.480 4.585 4.483 4.671 . 0 0 "[ . 1 . 2]" 1 1079 1 41 ARG HA 1 44 ALA H . . 3.810 3.529 3.460 3.589 . 0 0 "[ . 1 . 2]" 1 1080 1 41 ARG HB2 1 41 ARG HG2 . . 2.930 2.626 2.415 3.011 0.081 15 0 "[ . 1 . 2]" 1 1081 1 41 ARG HB2 1 41 ARG QG . . 2.350 2.232 2.167 2.363 0.013 16 0 "[ . 1 . 2]" 1 1082 1 41 ARG HB2 1 41 ARG HG3 . . 2.930 2.451 2.439 2.471 . 0 0 "[ . 1 . 2]" 1 1083 1 41 ARG HB2 1 42 MET H . . 3.060 2.863 2.754 2.945 . 0 0 "[ . 1 . 2]" 1 1084 1 41 ARG HB3 1 41 ARG QD . . 2.900 2.384 2.304 2.445 . 0 0 "[ . 1 . 2]" 1 1085 1 41 ARG HD2 1 42 MET H . . 5.500 5.080 4.973 5.259 . 0 0 "[ . 1 . 2]" 1 1086 1 41 ARG HD3 1 42 MET H . . 5.500 5.248 4.978 5.504 0.004 3 0 "[ . 1 . 2]" 1 1087 1 41 ARG QG 1 42 MET H . . 3.740 3.739 3.658 3.810 0.070 16 0 "[ . 1 . 2]" 1 1088 1 42 MET H 1 42 MET HB2 . . 3.240 2.774 2.728 2.809 . 0 0 "[ . 1 . 2]" 1 1089 1 42 MET H 1 42 MET QB . . 2.740 2.233 2.225 2.240 . 0 0 "[ . 1 . 2]" 1 1090 1 42 MET H 1 42 MET HB3 . . 3.240 2.355 2.341 2.373 . 0 0 "[ . 1 . 2]" 1 1091 1 42 MET H 1 42 MET ME . . 5.500 4.386 4.266 4.547 . 0 0 "[ . 1 . 2]" 1 1092 1 42 MET H 1 42 MET HG2 . . 4.600 4.371 4.334 4.397 . 0 0 "[ . 1 . 2]" 1 1093 1 42 MET H 1 42 MET HG3 . . 4.550 4.428 4.422 4.460 . 0 0 "[ . 1 . 2]" 1 1094 1 42 MET H 1 43 MET H . . 2.880 2.496 2.455 2.548 . 0 0 "[ . 1 . 2]" 1 1095 1 42 MET H 1 43 MET HA . . 5.500 5.147 5.113 5.192 . 0 0 "[ . 1 . 2]" 1 1096 1 42 MET H 1 43 MET HG3 . . 5.150 3.792 3.739 3.860 . 0 0 "[ . 1 . 2]" 1 1097 1 42 MET H 1 44 ALA H . . 3.930 3.690 3.626 3.766 . 0 0 "[ . 1 . 2]" 1 1098 1 42 MET H 1 44 ALA MB . . 4.860 4.282 4.244 4.336 . 0 0 "[ . 1 . 2]" 1 1099 1 42 MET HA 1 42 MET ME . . 4.320 2.929 2.842 3.196 . 0 0 "[ . 1 . 2]" 1 1100 1 42 MET HA 1 42 MET HG2 . . 3.620 3.648 3.570 3.663 0.043 14 0 "[ . 1 . 2]" 1 1101 1 42 MET HA 1 42 MET HG3 . . 3.500 2.556 2.540 2.570 . 0 0 "[ . 1 . 2]" 1 1102 1 42 MET HA 1 45 GLU H . . 4.170 3.980 3.898 4.110 . 0 0 "[ . 1 . 2]" 1 1103 1 42 MET HA 1 45 GLU HG2 . . 3.660 2.831 2.736 2.999 . 0 0 "[ . 1 . 2]" 1 1104 1 42 MET HA 1 62 PHE HE2 . . 5.500 5.555 5.528 5.581 0.081 4 0 "[ . 1 . 2]" 1 1105 1 42 MET QB 1 42 MET HG2 . . 2.630 2.173 2.166 2.204 . 0 0 "[ . 1 . 2]" 1 1106 1 42 MET QB 1 42 MET HG3 . . 2.490 2.500 2.473 2.506 0.016 14 0 "[ . 1 . 2]" 1 1107 1 42 MET QB 1 43 MET H . . 4.080 2.595 2.554 2.653 . 0 0 "[ . 1 . 2]" 1 1108 1 42 MET QB 1 46 ILE MD . . 5.340 3.827 3.760 4.002 . 0 0 "[ . 1 . 2]" 1 1109 1 42 MET ME 1 46 ILE MD . . 4.670 3.909 3.832 4.015 . 0 0 "[ . 1 . 2]" 1 1110 1 42 MET HG2 1 43 MET HA . . 4.420 3.854 3.701 3.944 . 0 0 "[ . 1 . 2]" 1 1111 1 42 MET HG2 1 46 ILE H . . 5.500 5.542 5.516 5.558 0.058 17 0 "[ . 1 . 2]" 1 1112 1 42 MET HG2 1 46 ILE HB . . 5.490 5.021 4.924 5.116 . 0 0 "[ . 1 . 2]" 1 1113 1 42 MET HG2 1 46 ILE MD . . 3.470 2.469 2.400 2.655 . 0 0 "[ . 1 . 2]" 1 1114 1 42 MET HG2 1 46 ILE HG12 . . 5.500 5.140 5.077 5.259 . 0 0 "[ . 1 . 2]" 1 1115 1 42 MET HG3 1 43 MET HA . . 4.690 4.167 4.123 4.322 . 0 0 "[ . 1 . 2]" 1 1116 1 42 MET HG3 1 46 ILE HB . . 5.270 4.989 4.919 5.198 . 0 0 "[ . 1 . 2]" 1 1117 1 42 MET HG3 1 46 ILE MD . . 2.920 2.482 2.384 2.638 . 0 0 "[ . 1 . 2]" 1 1118 1 42 MET HG3 1 46 ILE HG12 . . 5.500 4.434 4.352 4.594 . 0 0 "[ . 1 . 2]" 1 1119 1 42 MET HG3 1 62 PHE HE2 . . 5.500 5.450 5.380 5.521 0.021 3 0 "[ . 1 . 2]" 1 1120 1 43 MET H 1 43 MET HB2 . . 3.670 3.592 3.588 3.598 . 0 0 "[ . 1 . 2]" 1 1121 1 43 MET H 1 43 MET HB3 . . 2.890 2.773 2.756 2.802 . 0 0 "[ . 1 . 2]" 1 1122 1 43 MET H 1 43 MET ME . . 5.500 4.521 4.505 4.532 . 0 0 "[ . 1 . 2]" 1 1123 1 43 MET H 1 43 MET HG2 . . 4.420 2.764 2.733 2.784 . 0 0 "[ . 1 . 2]" 1 1124 1 43 MET H 1 43 MET HG3 . . 3.800 1.989 1.945 2.012 . 0 0 "[ . 1 . 2]" 1 1125 1 43 MET H 1 44 ALA H . . 3.260 2.431 2.391 2.463 . 0 0 "[ . 1 . 2]" 1 1126 1 43 MET H 1 44 ALA HA . . 5.390 5.012 4.987 5.037 . 0 0 "[ . 1 . 2]" 1 1127 1 43 MET H 1 44 ALA MB . . 4.680 4.040 3.990 4.107 . 0 0 "[ . 1 . 2]" 1 1128 1 43 MET H 1 45 GLU H . . 4.630 4.219 4.143 4.266 . 0 0 "[ . 1 . 2]" 1 1129 1 43 MET H 1 46 ILE H . . 5.050 4.777 4.758 4.823 . 0 0 "[ . 1 . 2]" 1 1130 1 43 MET H 1 46 ILE MD . . 5.120 4.070 3.961 4.360 . 0 0 "[ . 1 . 2]" 1 1131 1 43 MET HA 1 43 MET HB3 . . 2.990 2.388 2.383 2.395 . 0 0 "[ . 1 . 2]" 1 1132 1 43 MET HA 1 43 MET ME . . 4.560 4.205 4.184 4.228 . 0 0 "[ . 1 . 2]" 1 1133 1 43 MET HA 1 43 MET HG3 . . 3.730 3.554 3.553 3.557 . 0 0 "[ . 1 . 2]" 1 1134 1 43 MET HA 1 46 ILE H . . 3.320 2.931 2.921 2.955 . 0 0 "[ . 1 . 2]" 1 1135 1 43 MET HA 1 46 ILE HB . . 3.420 2.184 2.146 2.290 . 0 0 "[ . 1 . 2]" 1 1136 1 43 MET HA 1 46 ILE MD . . 3.500 2.418 2.289 2.639 . 0 0 "[ . 1 . 2]" 1 1137 1 43 MET HA 1 46 ILE HG13 . . 4.140 3.239 3.160 3.302 . 0 0 "[ . 1 . 2]" 1 1138 1 43 MET HA 1 47 ASP H . . 4.160 3.567 3.531 3.631 . 0 0 "[ . 1 . 2]" 1 1139 1 43 MET HA 1 47 ASP HA . . 5.500 5.537 5.505 5.579 0.079 2 0 "[ . 1 . 2]" 1 1140 1 43 MET HA 1 54 ILE MD . . 3.650 2.531 2.457 2.700 . 0 0 "[ . 1 . 2]" 1 1141 1 43 MET HA 1 54 ILE HG13 . . 3.410 2.948 2.864 3.098 . 0 0 "[ . 1 . 2]" 1 1142 1 43 MET HA 1 54 ILE MG . . 5.500 4.297 4.255 4.423 . 0 0 "[ . 1 . 2]" 1 1143 1 43 MET HB2 1 43 MET ME . . 2.990 1.998 1.957 2.033 . 0 0 "[ . 1 . 2]" 1 1144 1 43 MET HB2 1 44 ALA H . . 4.110 3.884 3.831 3.938 . 0 0 "[ . 1 . 2]" 1 1145 1 43 MET HB2 1 44 ALA HA . . 4.930 4.499 4.476 4.521 . 0 0 "[ . 1 . 2]" 1 1146 1 43 MET HB2 1 46 ILE HB . . 4.750 3.891 3.832 3.985 . 0 0 "[ . 1 . 2]" 1 1147 1 43 MET HB2 1 54 ILE HG13 . . 3.060 2.601 2.544 2.662 . 0 0 "[ . 1 . 2]" 1 1148 1 43 MET HB3 1 43 MET HG2 . . 2.890 2.206 2.205 2.206 . 0 0 "[ . 1 . 2]" 1 1149 1 43 MET HB3 1 44 ALA H . . 4.330 4.167 4.117 4.204 . 0 0 "[ . 1 . 2]" 1 1150 1 43 MET HB3 1 46 ILE H . . 5.500 5.265 5.249 5.296 . 0 0 "[ . 1 . 2]" 1 1151 1 43 MET HB3 1 46 ILE HB . . 5.500 4.192 4.142 4.289 . 0 0 "[ . 1 . 2]" 1 1152 1 43 MET HB3 1 47 ASP H . . 5.500 5.330 5.285 5.384 . 0 0 "[ . 1 . 2]" 1 1153 1 43 MET ME 1 43 MET HG2 . . 3.580 2.510 2.491 2.531 . 0 0 "[ . 1 . 2]" 1 1154 1 43 MET ME 1 44 ALA H . . 5.500 4.820 4.744 4.880 . 0 0 "[ . 1 . 2]" 1 1155 1 43 MET ME 1 47 ASP H . . 5.500 5.150 5.141 5.155 . 0 0 "[ . 1 . 2]" 1 1156 1 43 MET ME 1 47 ASP QB . . 5.120 4.178 4.013 4.260 . 0 0 "[ . 1 . 2]" 1 1157 1 43 MET ME 1 52 GLY H . . 4.910 4.236 4.145 4.353 . 0 0 "[ . 1 . 2]" 1 1158 1 43 MET ME 1 52 GLY QA . . 3.840 3.042 2.916 3.178 . 0 0 "[ . 1 . 2]" 1 1159 1 43 MET ME 1 53 PHE H . . 3.930 3.533 3.432 3.638 . 0 0 "[ . 1 . 2]" 1 1160 1 43 MET ME 1 53 PHE HA . . 5.500 2.520 2.480 2.563 . 0 0 "[ . 1 . 2]" 1 1161 1 43 MET ME 1 53 PHE HB3 . . 5.500 4.587 4.530 4.638 . 0 0 "[ . 1 . 2]" 1 1162 1 43 MET ME 1 53 PHE QD . . 5.500 4.315 4.273 4.389 . 0 0 "[ . 1 . 2]" 1 1163 1 43 MET ME 1 54 ILE H . . 3.950 3.225 3.087 3.320 . 0 0 "[ . 1 . 2]" 1 1164 1 43 MET HG2 1 44 ALA H . . 4.280 3.927 3.829 4.013 . 0 0 "[ . 1 . 2]" 1 1165 1 43 MET HG2 1 54 ILE HG13 . . 5.500 4.738 4.689 4.846 . 0 0 "[ . 1 . 2]" 1 1166 1 43 MET HG3 1 44 ALA H . . 4.100 2.214 2.107 2.308 . 0 0 "[ . 1 . 2]" 1 1167 1 43 MET HG3 1 44 ALA HA . . 4.880 3.996 3.926 4.038 . 0 0 "[ . 1 . 2]" 1 1168 1 43 MET HG3 1 44 ALA MB . . 4.520 3.593 3.569 3.622 . 0 0 "[ . 1 . 2]" 1 1169 1 43 MET HG3 1 46 ILE H . . 5.500 5.438 5.371 5.536 0.036 6 0 "[ . 1 . 2]" 1 1170 1 44 ALA H 1 44 ALA HA . . 2.850 2.788 2.755 2.811 . 0 0 "[ . 1 . 2]" 1 1171 1 44 ALA H 1 44 ALA MB . . 2.770 2.096 2.074 2.150 . 0 0 "[ . 1 . 2]" 1 1172 1 44 ALA H 1 45 GLU HG2 . . 4.590 3.895 3.836 3.956 . 0 0 "[ . 1 . 2]" 1 1173 1 44 ALA H 1 47 ASP H . . 5.270 4.754 4.711 4.790 . 0 0 "[ . 1 . 2]" 1 1174 1 44 ALA HA 1 47 ASP H . . 4.190 3.965 3.834 4.059 . 0 0 "[ . 1 . 2]" 1 1175 1 44 ALA HA 1 47 ASP QB . . 3.850 3.168 3.069 3.238 . 0 0 "[ . 1 . 2]" 1 1176 1 44 ALA HA 1 54 ILE MD . . 5.500 4.527 4.495 4.647 . 0 0 "[ . 1 . 2]" 1 1177 1 44 ALA MB 1 45 GLU H . . 3.440 2.857 2.810 2.890 . 0 0 "[ . 1 . 2]" 1 1178 1 44 ALA MB 1 45 GLU HA . . 4.440 3.898 3.887 3.927 . 0 0 "[ . 1 . 2]" 1 1179 1 44 ALA MB 1 45 GLU HG2 . . 4.480 3.885 3.831 3.952 . 0 0 "[ . 1 . 2]" 1 1180 1 45 GLU H 1 45 GLU HB3 . . 3.040 2.933 2.918 2.957 . 0 0 "[ . 1 . 2]" 1 1181 1 45 GLU H 1 45 GLU HG2 . . 2.590 1.878 1.838 1.895 . 0 0 "[ . 1 . 2]" 1 1182 1 45 GLU H 1 45 GLU HG3 . . 5.500 2.853 2.833 2.879 . 0 0 "[ . 1 . 2]" 1 1183 1 45 GLU H 1 46 ILE H . . 2.730 2.219 2.203 2.261 . 0 0 "[ . 1 . 2]" 1 1184 1 45 GLU H 1 46 ILE MD . . 5.500 4.740 4.610 4.927 . 0 0 "[ . 1 . 2]" 1 1185 1 45 GLU H 1 46 ILE HG12 . . 5.500 5.495 5.417 5.526 0.026 20 0 "[ . 1 . 2]" 1 1186 1 45 GLU H 1 46 ILE HG13 . . 4.150 3.872 3.798 3.937 . 0 0 "[ . 1 . 2]" 1 1187 1 45 GLU H 1 47 ASP H . . 4.110 3.841 3.703 3.912 . 0 0 "[ . 1 . 2]" 1 1188 1 45 GLU H 1 47 ASP QB . . 5.340 4.712 4.598 4.799 . 0 0 "[ . 1 . 2]" 1 1189 1 45 GLU H 1 54 ILE MD . . 5.500 4.744 4.696 4.827 . 0 0 "[ . 1 . 2]" 1 1190 1 45 GLU HA 1 45 GLU HG2 . . 3.810 3.692 3.670 3.703 . 0 0 "[ . 1 . 2]" 1 1191 1 45 GLU HA 1 45 GLU HG3 . . 3.980 3.787 3.778 3.809 . 0 0 "[ . 1 . 2]" 1 1192 1 45 GLU HA 1 47 ASP QB . . 5.340 4.914 4.767 5.041 . 0 0 "[ . 1 . 2]" 1 1193 1 45 GLU HA 1 62 PHE HE2 . . 5.250 5.184 4.687 5.278 0.028 8 0 "[ . 1 . 2]" 1 1194 1 45 GLU HB2 1 46 ILE H . . 4.180 3.767 3.569 3.936 . 0 0 "[ . 1 . 2]" 1 1195 1 45 GLU HB2 1 46 ILE HA . . 4.740 4.408 4.318 4.482 . 0 0 "[ . 1 . 2]" 1 1196 1 45 GLU HB2 1 46 ILE HG13 . . 4.820 4.460 4.368 4.490 . 0 0 "[ . 1 . 2]" 1 1197 1 45 GLU HB2 1 62 PHE HE2 . . 3.690 2.795 2.334 2.880 . 0 0 "[ . 1 . 2]" 1 1198 1 45 GLU HB3 1 45 GLU HG2 . . 2.520 2.444 2.437 2.466 . 0 0 "[ . 1 . 2]" 1 1199 1 45 GLU HB3 1 46 ILE H . . 4.640 4.100 3.986 4.218 . 0 0 "[ . 1 . 2]" 1 1200 1 45 GLU HG2 1 62 PHE HE2 . . 5.500 3.912 3.703 3.994 . 0 0 "[ . 1 . 2]" 1 1201 1 45 GLU HG3 1 46 ILE H . . 4.440 2.404 2.141 2.699 . 0 0 "[ . 1 . 2]" 1 1202 1 45 GLU HG3 1 46 ILE HA . . 5.500 3.631 3.569 3.758 . 0 0 "[ . 1 . 2]" 1 1203 1 45 GLU HG3 1 46 ILE HG12 . . 3.740 3.533 3.436 3.579 . 0 0 "[ . 1 . 2]" 1 1204 1 45 GLU HG3 1 62 PHE HE2 . . 5.300 2.601 2.341 2.724 . 0 0 "[ . 1 . 2]" 1 1205 1 46 ILE H 1 46 ILE HB . . 2.670 2.471 2.454 2.504 . 0 0 "[ . 1 . 2]" 1 1206 1 46 ILE H 1 46 ILE MD . . 4.070 3.526 3.399 3.620 . 0 0 "[ . 1 . 2]" 1 1207 1 46 ILE H 1 46 ILE HG12 . . 3.820 3.596 3.436 3.697 . 0 0 "[ . 1 . 2]" 1 1208 1 46 ILE H 1 46 ILE HG13 . . 3.130 2.268 2.158 2.406 . 0 0 "[ . 1 . 2]" 1 1209 1 46 ILE H 1 47 ASP H . . 2.730 2.529 2.369 2.641 . 0 0 "[ . 1 . 2]" 1 1210 1 46 ILE H 1 47 ASP HA . . 5.410 5.140 5.003 5.234 . 0 0 "[ . 1 . 2]" 1 1211 1 46 ILE H 1 47 ASP QB . . 5.050 4.184 4.023 4.322 . 0 0 "[ . 1 . 2]" 1 1212 1 46 ILE H 1 54 ILE MD . . 3.960 3.462 3.360 3.597 . 0 0 "[ . 1 . 2]" 1 1213 1 46 ILE HA 1 46 ILE HG12 . . 3.530 2.566 2.504 2.645 . 0 0 "[ . 1 . 2]" 1 1214 1 46 ILE HA 1 46 ILE HG13 . . 3.390 2.891 2.858 2.967 . 0 0 "[ . 1 . 2]" 1 1215 1 46 ILE HA 1 46 ILE MG . . 3.300 2.413 2.323 2.423 . 0 0 "[ . 1 . 2]" 1 1216 1 46 ILE HA 1 47 ASP HA . . 5.500 4.838 4.813 4.855 . 0 0 "[ . 1 . 2]" 1 1217 1 46 ILE HA 1 62 PHE HB2 . . 4.200 2.622 2.595 2.659 . 0 0 "[ . 1 . 2]" 1 1218 1 46 ILE HA 1 62 PHE HB3 . . 3.960 3.594 3.548 3.647 . 0 0 "[ . 1 . 2]" 1 1219 1 46 ILE HA 1 63 CYS H . . 5.500 5.613 5.591 5.634 0.134 12 0 "[ . 1 . 2]" 1 1220 1 46 ILE HB 1 46 ILE MD . . 3.020 2.397 2.359 2.412 . 0 0 "[ . 1 . 2]" 1 1221 1 46 ILE HB 1 47 ASP H . . 3.170 2.741 2.686 2.838 . 0 0 "[ . 1 . 2]" 1 1222 1 46 ILE HB 1 47 ASP QB . . 5.340 4.272 4.245 4.320 . 0 0 "[ . 1 . 2]" 1 1223 1 46 ILE HB 1 54 ILE HB . . 5.500 5.300 5.229 5.350 . 0 0 "[ . 1 . 2]" 1 1224 1 46 ILE HB 1 54 ILE MD . . 2.820 2.019 1.959 2.058 . 0 0 "[ . 1 . 2]" 1 1225 1 46 ILE HB 1 59 PHE HA . . 5.170 5.113 5.013 5.147 . 0 0 "[ . 1 . 2]" 1 1226 1 46 ILE HB 1 59 PHE HD1 . . 5.500 5.162 5.093 5.203 . 0 0 "[ . 1 . 2]" 1 1227 1 46 ILE HB 1 62 PHE HB3 . . 5.270 5.015 4.910 5.080 . 0 0 "[ . 1 . 2]" 1 1228 1 46 ILE MD 1 46 ILE MG . . 2.400 1.942 1.917 2.061 . 0 0 "[ . 1 . 2]" 1 1229 1 46 ILE MD 1 47 ASP H . . 5.420 4.630 4.545 4.750 . 0 0 "[ . 1 . 2]" 1 1230 1 46 ILE MD 1 54 ILE HG13 . . 4.720 3.408 3.314 3.566 . 0 0 "[ . 1 . 2]" 1 1231 1 46 ILE MD 1 59 PHE HA . . 4.090 3.941 3.928 3.948 . 0 0 "[ . 1 . 2]" 1 1232 1 46 ILE MD 1 62 PHE HB2 . . 4.390 3.906 3.776 3.960 . 0 0 "[ . 1 . 2]" 1 1233 1 46 ILE MD 1 62 PHE HB3 . . 4.850 3.384 3.240 3.441 . 0 0 "[ . 1 . 2]" 1 1234 1 46 ILE MD 1 63 CYS H . . 5.500 4.512 4.333 4.575 . 0 0 "[ . 1 . 2]" 1 1235 1 46 ILE HG12 1 47 ASP H . . 5.500 5.075 5.057 5.102 . 0 0 "[ . 1 . 2]" 1 1236 1 46 ILE HG12 1 62 PHE H . . 5.500 4.593 4.534 4.685 . 0 0 "[ . 1 . 2]" 1 1237 1 46 ILE HG12 1 62 PHE HB2 . . 3.630 2.601 2.542 2.692 . 0 0 "[ . 1 . 2]" 1 1238 1 46 ILE HG13 1 47 ASP H . . 4.420 4.317 4.271 4.339 . 0 0 "[ . 1 . 2]" 1 1239 1 46 ILE HG13 1 54 ILE MD . . 4.640 4.180 4.134 4.201 . 0 0 "[ . 1 . 2]" 1 1240 1 46 ILE HG13 1 54 ILE MG . . 5.500 5.164 5.138 5.203 . 0 0 "[ . 1 . 2]" 1 1241 1 46 ILE HG13 1 62 PHE HB2 . . 4.590 4.130 4.061 4.246 . 0 0 "[ . 1 . 2]" 1 1242 1 46 ILE HG13 1 62 PHE HB3 . . 4.050 3.839 3.747 3.906 . 0 0 "[ . 1 . 2]" 1 1243 1 46 ILE HG13 1 62 PHE HE2 . . 4.730 3.965 3.829 4.049 . 0 0 "[ . 1 . 2]" 1 1244 1 46 ILE MG 1 47 ASP H . . 4.170 3.462 3.404 3.580 . 0 0 "[ . 1 . 2]" 1 1245 1 46 ILE MG 1 54 ILE MG . . 3.830 2.037 1.922 2.092 . 0 0 "[ . 1 . 2]" 1 1246 1 46 ILE MG 1 55 ASP H . . 5.500 5.020 4.978 5.104 . 0 0 "[ . 1 . 2]" 1 1247 1 46 ILE MG 1 58 GLU HB2 . . 3.570 2.763 2.716 2.915 . 0 0 "[ . 1 . 2]" 1 1248 1 46 ILE MG 1 58 GLU HB3 . . 5.270 4.251 4.207 4.388 . 0 0 "[ . 1 . 2]" 1 1249 1 46 ILE MG 1 58 GLU QG . . 4.980 2.775 2.735 2.845 . 0 0 "[ . 1 . 2]" 1 1250 1 46 ILE MG 1 59 PHE H . . 4.450 3.930 3.910 3.966 . 0 0 "[ . 1 . 2]" 1 1251 1 46 ILE MG 1 59 PHE HA . . 4.230 2.490 2.461 2.523 . 0 0 "[ . 1 . 2]" 1 1252 1 46 ILE MG 1 59 PHE HD1 . . 3.720 2.967 2.877 3.176 . 0 0 "[ . 1 . 2]" 1 1253 1 46 ILE MG 1 62 PHE H . . 4.140 3.198 3.147 3.239 . 0 0 "[ . 1 . 2]" 1 1254 1 46 ILE MG 1 62 PHE HA . . 5.230 4.644 4.612 4.689 . 0 0 "[ . 1 . 2]" 1 1255 1 46 ILE MG 1 62 PHE HB2 . . 3.870 2.071 1.997 2.229 . 0 0 "[ . 1 . 2]" 1 1256 1 46 ILE MG 1 62 PHE HB3 . . 4.320 2.998 2.920 3.076 . 0 0 "[ . 1 . 2]" 1 1257 1 46 ILE MG 1 63 CYS H . . 5.170 3.740 3.661 3.779 . 0 0 "[ . 1 . 2]" 1 1258 1 47 ASP H 1 47 ASP HB2 . . 3.620 2.081 2.068 2.126 . 0 0 "[ . 1 . 2]" 1 1259 1 47 ASP H 1 47 ASP QB . . 2.870 2.054 2.045 2.088 . 0 0 "[ . 1 . 2]" 1 1260 1 47 ASP H 1 47 ASP HB3 . . 3.620 3.175 3.054 3.232 . 0 0 "[ . 1 . 2]" 1 1261 1 47 ASP H 1 54 ILE MD . . 3.790 2.231 2.176 2.325 . 0 0 "[ . 1 . 2]" 1 1262 1 47 ASP H 1 54 ILE HG12 . . 4.900 4.734 4.679 4.804 . 0 0 "[ . 1 . 2]" 1 1263 1 47 ASP H 1 58 GLU HB2 . . 5.070 4.945 4.864 5.079 0.009 6 0 "[ . 1 . 2]" 1 1264 1 47 ASP HA 1 48 THR H . . 3.020 2.153 2.146 2.184 . 0 0 "[ . 1 . 2]" 1 1265 1 47 ASP HA 1 50 GLY H . . 5.500 3.581 3.541 3.631 . 0 0 "[ . 1 . 2]" 1 1266 1 47 ASP HA 1 50 GLY HA2 . . 5.500 4.461 4.346 4.666 . 0 0 "[ . 1 . 2]" 1 1267 1 47 ASP HA 1 54 ILE MD . . 3.640 2.180 2.072 2.229 . 0 0 "[ . 1 . 2]" 1 1268 1 47 ASP HA 1 54 ILE MG . . 5.500 4.018 3.916 4.081 . 0 0 "[ . 1 . 2]" 1 1269 1 47 ASP HA 1 58 GLU HB2 . . 4.110 3.278 3.198 3.384 . 0 0 "[ . 1 . 2]" 1 1270 1 47 ASP QB 1 49 ASP H . . 3.730 3.624 3.571 3.760 0.030 6 0 "[ . 1 . 2]" 1 1271 1 47 ASP QB 1 49 ASP QB . . 5.180 5.350 5.273 5.382 0.202 17 0 "[ . 1 . 2]" 1 1272 1 47 ASP QB 1 50 GLY H . . 4.220 2.282 2.215 2.574 . 0 0 "[ . 1 . 2]" 1 1273 1 47 ASP QB 1 50 GLY HA2 . . 3.770 2.013 1.955 2.326 . 0 0 "[ . 1 . 2]" 1 1274 1 47 ASP QB 1 51 ASP H . . 5.340 3.640 3.567 3.816 . 0 0 "[ . 1 . 2]" 1 1275 1 47 ASP QB 1 54 ILE HG12 . . 4.480 4.305 4.106 4.404 . 0 0 "[ . 1 . 2]" 1 1276 1 47 ASP HB2 1 50 GLY HA2 . . 4.480 3.177 3.083 3.574 . 0 0 "[ . 1 . 2]" 1 1277 1 47 ASP HB2 1 54 ILE MD . . 3.980 2.509 2.277 2.632 . 0 0 "[ . 1 . 2]" 1 1278 1 47 ASP HB3 1 50 GLY HA2 . . 4.480 2.036 1.976 2.357 . 0 0 "[ . 1 . 2]" 1 1279 1 47 ASP HB3 1 54 ILE MD . . 3.980 3.593 3.464 3.647 . 0 0 "[ . 1 . 2]" 1 1280 1 48 THR H 1 48 THR HB . . 3.220 2.517 2.497 2.564 . 0 0 "[ . 1 . 2]" 1 1281 1 48 THR H 1 50 GLY H . . 5.270 3.627 3.586 3.749 . 0 0 "[ . 1 . 2]" 1 1282 1 48 THR H 1 54 ILE MD . . 4.380 3.778 3.614 3.848 . 0 0 "[ . 1 . 2]" 1 1283 1 48 THR H 1 55 ASP H . . 5.090 5.007 4.964 5.080 . 0 0 "[ . 1 . 2]" 1 1284 1 48 THR H 1 58 GLU HA . . 4.680 4.427 4.346 4.541 . 0 0 "[ . 1 . 2]" 1 1285 1 48 THR H 1 58 GLU HB2 . . 3.420 2.524 2.340 2.611 . 0 0 "[ . 1 . 2]" 1 1286 1 48 THR H 1 58 GLU HB3 . . 3.890 2.433 2.345 2.555 . 0 0 "[ . 1 . 2]" 1 1287 1 48 THR H 1 58 GLU QG . . 4.270 3.473 3.361 3.557 . 0 0 "[ . 1 . 2]" 1 1288 1 48 THR HA 1 48 THR MG . . 3.700 2.324 2.261 2.418 . 0 0 "[ . 1 . 2]" 1 1289 1 48 THR HA 1 58 GLU HB2 . . 4.650 4.474 4.421 4.529 . 0 0 "[ . 1 . 2]" 1 1290 1 48 THR HB 1 49 ASP QB . . 4.730 4.294 3.843 4.396 . 0 0 "[ . 1 . 2]" 1 1291 1 48 THR HB 1 50 GLY H . . 5.110 4.835 4.744 5.034 . 0 0 "[ . 1 . 2]" 1 1292 1 48 THR HB 1 58 GLU HB2 . . 3.990 3.734 3.360 3.860 . 0 0 "[ . 1 . 2]" 1 1293 1 48 THR HB 1 58 GLU HB3 . . 5.260 2.416 2.116 2.548 . 0 0 "[ . 1 . 2]" 1 1294 1 48 THR HB 1 58 GLU QG . . 4.830 4.373 4.198 4.478 . 0 0 "[ . 1 . 2]" 1 1295 1 48 THR MG 1 49 ASP H . . 5.390 3.758 3.648 3.946 . 0 0 "[ . 1 . 2]" 1 1296 1 48 THR MG 1 49 ASP QB . . 5.340 4.002 3.888 4.140 . 0 0 "[ . 1 . 2]" 1 1297 1 48 THR MG 1 58 GLU HB3 . . 5.500 3.752 3.641 3.811 . 0 0 "[ . 1 . 2]" 1 1298 1 49 ASP H 1 49 ASP HB2 . . 3.290 3.513 3.483 3.543 0.253 8 0 "[ . 1 . 2]" 1 1299 1 49 ASP H 1 49 ASP QB . . 2.820 2.982 2.328 3.102 0.282 17 0 "[ . 1 . 2]" 1 1300 1 49 ASP H 1 49 ASP HB3 . . 3.290 3.285 2.362 3.473 0.183 14 0 "[ . 1 . 2]" 1 1301 1 49 ASP H 1 50 GLY H . . 2.520 1.948 1.934 1.971 . 0 0 "[ . 1 . 2]" 1 1302 1 49 ASP H 1 50 GLY HA2 . . 4.540 4.207 4.196 4.230 . 0 0 "[ . 1 . 2]" 1 1303 1 49 ASP H 1 50 GLY HA3 . . 4.580 4.620 4.612 4.626 0.046 2 0 "[ . 1 . 2]" 1 1304 1 49 ASP H 1 54 ILE MD . . 5.500 4.925 4.633 4.984 . 0 0 "[ . 1 . 2]" 1 1305 1 49 ASP HB2 1 50 GLY H . . 4.290 3.879 3.747 4.452 0.162 4 0 "[ . 1 . 2]" 1 1306 1 49 ASP HB3 1 50 GLY H . . 4.290 4.306 3.538 4.446 0.156 14 0 "[ . 1 . 2]" 1 1307 1 50 GLY H 1 51 ASP H . . 3.390 3.270 3.240 3.338 . 0 0 "[ . 1 . 2]" 1 1308 1 50 GLY H 1 52 GLY H . . 5.380 5.007 4.968 5.051 . 0 0 "[ . 1 . 2]" 1 1309 1 50 GLY H 1 53 PHE H . . 5.500 5.576 5.530 5.595 0.095 9 0 "[ . 1 . 2]" 1 1310 1 50 GLY HA2 1 51 ASP H . . 2.550 2.367 2.352 2.372 . 0 0 "[ . 1 . 2]" 1 1311 1 50 GLY HA2 1 51 ASP HA . . 5.500 4.383 4.357 4.392 . 0 0 "[ . 1 . 2]" 1 1312 1 50 GLY HA2 1 51 ASP HB2 . . 5.500 5.900 5.891 5.917 0.417 6 0 "[ . 1 . 2]" 1 1313 1 50 GLY HA2 1 51 ASP QB . . 4.640 4.581 4.565 4.623 . 0 0 "[ . 1 . 2]" 1 1314 1 50 GLY HA2 1 51 ASP HB3 . . 5.500 4.773 4.755 4.827 . 0 0 "[ . 1 . 2]" 1 1315 1 50 GLY HA2 1 52 GLY H . . 3.490 3.207 3.171 3.252 . 0 0 "[ . 1 . 2]" 1 1316 1 50 GLY HA3 1 51 ASP QB . . 5.340 4.906 4.836 4.939 . 0 0 "[ . 1 . 2]" 1 1317 1 50 GLY HA3 1 52 GLY H . . 5.500 4.341 4.283 4.497 . 0 0 "[ . 1 . 2]" 1 1318 1 51 ASP H 1 51 ASP HB2 . . 3.790 3.847 3.829 3.896 0.106 4 0 "[ . 1 . 2]" 1 1319 1 51 ASP H 1 51 ASP QB . . 3.080 2.829 2.777 3.001 . 0 0 "[ . 1 . 2]" 1 1320 1 51 ASP H 1 51 ASP HB3 . . 3.790 2.912 2.851 3.120 . 0 0 "[ . 1 . 2]" 1 1321 1 51 ASP H 1 52 GLY H . . 3.080 2.140 1.949 2.228 . 0 0 "[ . 1 . 2]" 1 1322 1 51 ASP H 1 52 GLY QA . . 4.600 4.032 3.901 4.077 . 0 0 "[ . 1 . 2]" 1 1323 1 51 ASP H 1 53 PHE H . . 4.320 2.756 2.723 2.788 . 0 0 "[ . 1 . 2]" 1 1324 1 51 ASP H 1 53 PHE HB2 . . 5.500 4.918 4.850 4.986 . 0 0 "[ . 1 . 2]" 1 1325 1 51 ASP H 1 53 PHE QD . . 5.500 5.181 5.008 5.287 . 0 0 "[ . 1 . 2]" 1 1326 1 51 ASP HA 1 52 GLY H . . 3.370 3.096 3.048 3.136 . 0 0 "[ . 1 . 2]" 1 1327 1 51 ASP HA 1 52 GLY QA . . 4.590 4.098 4.088 4.108 . 0 0 "[ . 1 . 2]" 1 1328 1 51 ASP HA 1 53 PHE H . . 5.500 4.411 4.344 4.469 . 0 0 "[ . 1 . 2]" 1 1329 1 51 ASP QB 1 52 GLY H . . 3.920 3.972 3.947 3.997 0.077 3 0 "[ . 1 . 2]" 1 1330 1 51 ASP QB 1 52 GLY QA . . 5.180 4.611 4.557 4.633 . 0 0 "[ . 1 . 2]" 1 1331 1 51 ASP QB 1 53 PHE H . . 4.290 4.062 4.032 4.087 . 0 0 "[ . 1 . 2]" 1 1332 1 51 ASP QB 1 53 PHE HB2 . . 5.340 4.600 4.529 4.701 . 0 0 "[ . 1 . 2]" 1 1333 1 51 ASP QB 1 53 PHE QD . . 5.340 4.257 3.974 4.373 . 0 0 "[ . 1 . 2]" 1 1334 1 51 ASP HB2 1 52 GLY H . . 4.480 4.544 4.487 4.560 0.080 3 0 "[ . 1 . 2]" 1 1335 1 51 ASP HB3 1 52 GLY H . . 4.480 4.384 4.339 4.433 . 0 0 "[ . 1 . 2]" 1 1336 1 52 GLY H 1 53 PHE H . . 2.890 2.450 2.391 2.515 . 0 0 "[ . 1 . 2]" 1 1337 1 52 GLY H 1 53 PHE HA . . 5.500 4.971 4.917 5.037 . 0 0 "[ . 1 . 2]" 1 1338 1 52 GLY H 1 53 PHE HB2 . . 5.440 5.098 5.057 5.171 . 0 0 "[ . 1 . 2]" 1 1339 1 52 GLY H 1 53 PHE QD . . 5.500 4.621 4.513 4.719 . 0 0 "[ . 1 . 2]" 1 1340 1 52 GLY QA 1 53 PHE H . . 2.950 2.916 2.913 2.918 . 0 0 "[ . 1 . 2]" 1 1341 1 52 GLY QA 1 53 PHE QD . . 4.390 3.211 3.101 3.333 . 0 0 "[ . 1 . 2]" 1 1342 1 52 GLY HA2 1 53 PHE H . . 3.420 3.227 3.211 3.250 . 0 0 "[ . 1 . 2]" 1 1343 1 52 GLY HA3 1 53 PHE H . . 3.420 3.323 3.302 3.338 . 0 0 "[ . 1 . 2]" 1 1344 1 53 PHE H 1 53 PHE HB2 . . 2.870 2.806 2.786 2.840 . 0 0 "[ . 1 . 2]" 1 1345 1 53 PHE H 1 53 PHE HB3 . . 3.980 3.867 3.854 3.887 . 0 0 "[ . 1 . 2]" 1 1346 1 53 PHE H 1 53 PHE QD . . 3.890 3.202 3.083 3.314 . 0 0 "[ . 1 . 2]" 1 1347 1 53 PHE H 1 54 ILE H . . 4.430 4.356 4.306 4.387 . 0 0 "[ . 1 . 2]" 1 1348 1 53 PHE H 1 54 ILE MD . . 5.500 4.462 4.421 4.509 . 0 0 "[ . 1 . 2]" 1 1349 1 53 PHE H 1 54 ILE HG12 . . 5.500 4.950 4.898 4.981 . 0 0 "[ . 1 . 2]" 1 1350 1 53 PHE HA 1 54 ILE H . . 3.050 2.265 2.220 2.299 . 0 0 "[ . 1 . 2]" 1 1351 1 53 PHE HB2 1 53 PHE QD . . 3.050 2.402 2.382 2.432 . 0 0 "[ . 1 . 2]" 1 1352 1 53 PHE HB2 1 53 PHE QE . . 4.830 4.407 4.402 4.415 . 0 0 "[ . 1 . 2]" 1 1353 1 53 PHE HB2 1 54 ILE H . . 4.060 3.963 3.865 4.051 . 0 0 "[ . 1 . 2]" 1 1354 1 53 PHE HB3 1 53 PHE QD . . 3.090 2.367 2.342 2.385 . 0 0 "[ . 1 . 2]" 1 1355 1 53 PHE HB3 1 53 PHE QE . . 4.870 4.399 4.392 4.404 . 0 0 "[ . 1 . 2]" 1 1356 1 53 PHE HB3 1 54 ILE H . . 3.140 2.802 2.694 2.949 . 0 0 "[ . 1 . 2]" 1 1357 1 53 PHE HB3 1 54 ILE HB . . 5.500 5.150 5.078 5.226 . 0 0 "[ . 1 . 2]" 1 1358 1 53 PHE QD 1 54 ILE H . . 5.150 3.747 3.671 3.875 . 0 0 "[ . 1 . 2]" 1 1359 1 54 ILE H 1 54 ILE HB . . 2.930 2.468 2.443 2.495 . 0 0 "[ . 1 . 2]" 1 1360 1 54 ILE H 1 54 ILE HG12 . . 3.360 2.836 2.752 2.922 . 0 0 "[ . 1 . 2]" 1 1361 1 54 ILE H 1 54 ILE HG13 . . 5.120 4.084 4.016 4.152 . 0 0 "[ . 1 . 2]" 1 1362 1 54 ILE HA 1 54 ILE HG12 . . 3.810 2.936 2.923 2.953 . 0 0 "[ . 1 . 2]" 1 1363 1 54 ILE HA 1 54 ILE MG . . 3.120 2.414 2.407 2.421 . 0 0 "[ . 1 . 2]" 1 1364 1 54 ILE HA 1 55 ASP H . . 2.680 2.166 2.165 2.168 . 0 0 "[ . 1 . 2]" 1 1365 1 54 ILE HA 1 58 GLU HG2 . . 5.500 4.071 3.985 4.139 . 0 0 "[ . 1 . 2]" 1 1366 1 54 ILE HA 1 58 GLU HG3 . . 5.500 3.040 2.961 3.094 . 0 0 "[ . 1 . 2]" 1 1367 1 54 ILE HA 1 59 PHE H . . 5.500 5.463 5.430 5.507 0.007 17 0 "[ . 1 . 2]" 1 1368 1 54 ILE HB 1 54 ILE MD . . 3.690 3.226 3.218 3.227 . 0 0 "[ . 1 . 2]" 1 1369 1 54 ILE HB 1 54 ILE HG12 . . 2.860 2.460 2.456 2.464 . 0 0 "[ . 1 . 2]" 1 1370 1 54 ILE HB 1 54 ILE MG . . 2.480 2.087 2.085 2.088 . 0 0 "[ . 1 . 2]" 1 1371 1 54 ILE HB 1 59 PHE HD1 . . 4.240 3.949 3.920 3.988 . 0 0 "[ . 1 . 2]" 1 1372 1 54 ILE MD 1 54 ILE MG . . 2.980 2.012 1.990 2.072 . 0 0 "[ . 1 . 2]" 1 1373 1 54 ILE MD 1 55 ASP H . . 4.290 3.671 3.613 3.694 . 0 0 "[ . 1 . 2]" 1 1374 1 54 ILE MD 1 58 GLU HB2 . . 5.290 3.529 3.455 3.575 . 0 0 "[ . 1 . 2]" 1 1375 1 54 ILE MD 1 58 GLU HB3 . . 5.500 4.576 4.499 4.628 . 0 0 "[ . 1 . 2]" 1 1376 1 54 ILE MD 1 58 GLU QG . . 4.270 2.656 2.564 2.744 . 0 0 "[ . 1 . 2]" 1 1377 1 54 ILE MD 1 59 PHE HA . . 5.500 4.313 4.270 4.420 . 0 0 "[ . 1 . 2]" 1 1378 1 54 ILE MD 1 59 PHE HB2 . . 5.500 5.162 5.136 5.187 . 0 0 "[ . 1 . 2]" 1 1379 1 54 ILE HG12 1 54 ILE MG . . 3.620 3.186 3.186 3.187 . 0 0 "[ . 1 . 2]" 1 1380 1 54 ILE HG12 1 55 ASP H . . 5.260 5.059 5.048 5.072 . 0 0 "[ . 1 . 2]" 1 1381 1 54 ILE HG12 1 59 PHE HD1 . . 5.500 5.555 5.536 5.593 0.093 3 0 "[ . 1 . 2]" 1 1382 1 54 ILE HG13 1 54 ILE MG . . 2.670 2.293 2.284 2.299 . 0 0 "[ . 1 . 2]" 1 1383 1 54 ILE HG13 1 59 PHE HA . . 5.500 5.358 5.322 5.432 . 0 0 "[ . 1 . 2]" 1 1384 1 54 ILE MG 1 55 ASP H . . 3.360 2.966 2.958 2.979 . 0 0 "[ . 1 . 2]" 1 1385 1 54 ILE MG 1 56 PHE H . . 5.500 5.052 5.043 5.059 . 0 0 "[ . 1 . 2]" 1 1386 1 54 ILE MG 1 58 GLU H . . 5.220 4.647 4.589 4.700 . 0 0 "[ . 1 . 2]" 1 1387 1 54 ILE MG 1 58 GLU QG . . 3.270 1.963 1.940 1.996 . 0 0 "[ . 1 . 2]" 1 1388 1 54 ILE MG 1 59 PHE H . . 3.520 3.210 3.166 3.244 . 0 0 "[ . 1 . 2]" 1 1389 1 54 ILE MG 1 59 PHE HA . . 3.570 2.733 2.708 2.784 . 0 0 "[ . 1 . 2]" 1 1390 1 54 ILE MG 1 59 PHE HB2 . . 3.640 2.726 2.689 2.791 . 0 0 "[ . 1 . 2]" 1 1391 1 54 ILE MG 1 59 PHE HD1 . . 3.570 1.882 1.880 1.888 . 0 0 "[ . 1 . 2]" 1 1392 1 55 ASP H 1 55 ASP HB2 . . 3.160 2.694 2.619 2.733 . 0 0 "[ . 1 . 2]" 1 1393 1 55 ASP H 1 55 ASP HB3 . . 3.640 3.583 3.578 3.593 . 0 0 "[ . 1 . 2]" 1 1394 1 55 ASP H 1 56 PHE H . . 4.510 4.501 4.485 4.511 0.001 4 0 "[ . 1 . 2]" 1 1395 1 55 ASP H 1 58 GLU HB3 . . 4.930 4.679 4.664 4.692 . 0 0 "[ . 1 . 2]" 1 1396 1 55 ASP H 1 58 GLU HG2 . . 3.510 2.856 2.819 2.885 . 0 0 "[ . 1 . 2]" 1 1397 1 55 ASP H 1 58 GLU QG . . 3.050 2.567 2.546 2.602 . 0 0 "[ . 1 . 2]" 1 1398 1 55 ASP H 1 58 GLU HG3 . . 3.510 2.908 2.876 2.972 . 0 0 "[ . 1 . 2]" 1 1399 1 55 ASP H 1 59 PHE H . . 4.860 4.723 4.691 4.765 . 0 0 "[ . 1 . 2]" 1 1400 1 55 ASP HA 1 55 ASP HB3 . . 2.720 2.381 2.362 2.413 . 0 0 "[ . 1 . 2]" 1 1401 1 55 ASP HA 1 56 PHE H . . 2.880 2.696 2.685 2.715 . 0 0 "[ . 1 . 2]" 1 1402 1 55 ASP HA 1 56 PHE HA . . 4.880 4.337 4.336 4.339 . 0 0 "[ . 1 . 2]" 1 1403 1 55 ASP HA 1 56 PHE HB2 . . 4.600 4.518 4.510 4.534 . 0 0 "[ . 1 . 2]" 1 1404 1 55 ASP HA 1 57 ASN H . . 4.920 4.672 4.597 4.770 . 0 0 "[ . 1 . 2]" 1 1405 1 55 ASP HA 1 58 GLU QG . . 5.340 4.106 4.085 4.137 . 0 0 "[ . 1 . 2]" 1 1406 1 55 ASP HB2 1 56 PHE H . . 2.860 2.835 2.763 2.903 0.043 14 0 "[ . 1 . 2]" 1 1407 1 55 ASP HB2 1 56 PHE HA . . 5.500 4.757 4.715 4.820 . 0 0 "[ . 1 . 2]" 1 1408 1 55 ASP HB2 1 57 ASN H . . 3.590 2.995 2.935 3.092 . 0 0 "[ . 1 . 2]" 1 1409 1 55 ASP HB2 1 58 GLU H . . 5.500 2.909 2.888 2.950 . 0 0 "[ . 1 . 2]" 1 1410 1 55 ASP HB3 1 56 PHE H . . 2.820 2.054 1.985 2.085 . 0 0 "[ . 1 . 2]" 1 1411 1 55 ASP HB3 1 56 PHE HB2 . . 4.420 4.452 4.422 4.481 0.061 4 0 "[ . 1 . 2]" 1 1412 1 55 ASP HB3 1 56 PHE HB3 . . 5.500 4.442 4.341 4.514 . 0 0 "[ . 1 . 2]" 1 1413 1 55 ASP HB3 1 57 ASN H . . 3.620 3.232 3.080 3.357 . 0 0 "[ . 1 . 2]" 1 1414 1 55 ASP HB3 1 58 GLU H . . 5.500 4.417 4.365 4.505 . 0 0 "[ . 1 . 2]" 1 1415 1 56 PHE H 1 56 PHE HB2 . . 2.940 2.506 2.474 2.531 . 0 0 "[ . 1 . 2]" 1 1416 1 56 PHE H 1 56 PHE HB3 . . 2.830 2.667 2.642 2.699 . 0 0 "[ . 1 . 2]" 1 1417 1 56 PHE H 1 56 PHE HD1 . . 5.500 4.735 4.718 4.756 . 0 0 "[ . 1 . 2]" 1 1418 1 56 PHE H 1 56 PHE HD2 . . 5.500 4.724 4.692 4.748 . 0 0 "[ . 1 . 2]" 1 1419 1 56 PHE H 1 57 ASN H . . 3.350 2.388 2.360 2.413 . 0 0 "[ . 1 . 2]" 1 1420 1 56 PHE H 1 57 ASN HA . . 5.500 5.032 5.009 5.051 . 0 0 "[ . 1 . 2]" 1 1421 1 56 PHE H 1 57 ASN HB2 . . 4.350 4.186 4.163 4.212 . 0 0 "[ . 1 . 2]" 1 1422 1 56 PHE H 1 57 ASN HD21 . . 4.410 4.310 4.145 4.413 0.003 7 0 "[ . 1 . 2]" 1 1423 1 56 PHE HA 1 56 PHE HB2 . . 3.000 2.556 2.543 2.572 . 0 0 "[ . 1 . 2]" 1 1424 1 56 PHE HA 1 57 ASN H . . 3.560 3.526 3.510 3.540 . 0 0 "[ . 1 . 2]" 1 1425 1 56 PHE HA 1 58 GLU QG . . 5.030 4.520 4.486 4.554 . 0 0 "[ . 1 . 2]" 1 1426 1 56 PHE HA 1 59 PHE H . . 4.000 3.640 3.599 3.673 . 0 0 "[ . 1 . 2]" 1 1427 1 56 PHE HA 1 60 ILE H . . 4.850 4.752 4.694 4.793 . 0 0 "[ . 1 . 2]" 1 1428 1 56 PHE HB2 1 56 PHE HD2 . . 3.550 2.290 2.286 2.297 . 0 0 "[ . 1 . 2]" 1 1429 1 56 PHE HB2 1 57 ASN H . . 4.080 3.770 3.702 3.839 . 0 0 "[ . 1 . 2]" 1 1430 1 56 PHE HB2 1 57 ASN HA . . 5.500 5.554 5.528 5.578 0.078 14 0 "[ . 1 . 2]" 1 1431 1 56 PHE HB2 1 57 ASN HD21 . . 4.920 4.891 4.810 4.927 0.007 5 0 "[ . 1 . 2]" 1 1432 1 56 PHE HB3 1 56 PHE HD1 . . 3.140 2.657 2.630 2.684 . 0 0 "[ . 1 . 2]" 1 1433 1 56 PHE HB3 1 56 PHE HE1 . . 4.930 4.792 4.777 4.808 . 0 0 "[ . 1 . 2]" 1 1434 1 56 PHE HB3 1 57 ASN H . . 3.770 2.653 2.556 2.746 . 0 0 "[ . 1 . 2]" 1 1435 1 56 PHE HB3 1 57 ASN HD21 . . 4.860 3.236 3.096 3.323 . 0 0 "[ . 1 . 2]" 1 1436 1 56 PHE HD1 1 57 ASN H . . 4.790 3.762 3.706 3.797 . 0 0 "[ . 1 . 2]" 1 1437 1 56 PHE HD1 1 57 ASN HA . . 3.710 3.162 3.131 3.223 . 0 0 "[ . 1 . 2]" 1 1438 1 56 PHE HD1 1 60 ILE H . . 5.500 4.447 4.268 4.581 . 0 0 "[ . 1 . 2]" 1 1439 1 56 PHE HD1 1 60 ILE MD . . 3.370 2.470 2.411 2.504 . 0 0 "[ . 1 . 2]" 1 1440 1 56 PHE HE1 1 60 ILE MD . . 2.690 1.989 1.939 2.039 . 0 0 "[ . 1 . 2]" 1 1441 1 56 PHE HE1 1 60 ILE HG12 . . 4.770 3.478 3.300 3.604 . 0 0 "[ . 1 . 2]" 1 1442 1 56 PHE HE1 1 60 ILE HG13 . . 4.650 3.583 3.452 3.674 . 0 0 "[ . 1 . 2]" 1 1443 1 57 ASN H 1 57 ASN HB2 . . 2.970 2.122 2.102 2.149 . 0 0 "[ . 1 . 2]" 1 1444 1 57 ASN H 1 57 ASN HB3 . . 3.480 3.433 3.402 3.464 . 0 0 "[ . 1 . 2]" 1 1445 1 57 ASN H 1 57 ASN HD21 . . 4.700 2.523 2.400 2.624 . 0 0 "[ . 1 . 2]" 1 1446 1 57 ASN H 1 57 ASN HD22 . . 5.380 4.182 4.056 4.292 . 0 0 "[ . 1 . 2]" 1 1447 1 57 ASN H 1 58 GLU H . . 3.130 2.968 2.927 3.018 . 0 0 "[ . 1 . 2]" 1 1448 1 57 ASN H 1 59 PHE H . . 3.980 3.857 3.808 3.908 . 0 0 "[ . 1 . 2]" 1 1449 1 57 ASN H 1 60 ILE H . . 5.500 5.122 5.110 5.141 . 0 0 "[ . 1 . 2]" 1 1450 1 57 ASN H 1 60 ILE MD . . 5.500 5.197 5.185 5.212 . 0 0 "[ . 1 . 2]" 1 1451 1 57 ASN H 1 60 ILE HG13 . . 5.500 5.084 5.058 5.109 . 0 0 "[ . 1 . 2]" 1 1452 1 57 ASN HA 1 57 ASN HB3 . . 2.990 2.746 2.716 2.765 . 0 0 "[ . 1 . 2]" 1 1453 1 57 ASN HA 1 57 ASN HD22 . . 4.170 3.644 3.467 3.792 . 0 0 "[ . 1 . 2]" 1 1454 1 57 ASN HA 1 59 PHE H . . 4.590 4.174 4.126 4.226 . 0 0 "[ . 1 . 2]" 1 1455 1 57 ASN HA 1 59 PHE HB2 . . 5.500 5.533 5.521 5.555 0.055 6 0 "[ . 1 . 2]" 1 1456 1 57 ASN HA 1 59 PHE HB3 . . 5.500 4.933 4.878 4.975 . 0 0 "[ . 1 . 2]" 1 1457 1 57 ASN HA 1 60 ILE H . . 4.020 3.752 3.728 3.773 . 0 0 "[ . 1 . 2]" 1 1458 1 57 ASN HA 1 60 ILE HB . . 4.130 4.165 4.156 4.180 0.050 14 0 "[ . 1 . 2]" 1 1459 1 57 ASN HA 1 60 ILE MD . . 3.760 3.397 3.361 3.468 . 0 0 "[ . 1 . 2]" 1 1460 1 57 ASN HA 1 60 ILE HG13 . . 3.800 3.349 3.315 3.416 . 0 0 "[ . 1 . 2]" 1 1461 1 57 ASN HA 1 61 SER H . . 4.620 4.635 4.585 4.655 0.035 8 0 "[ . 1 . 2]" 1 1462 1 57 ASN HB2 1 57 ASN HD21 . . 3.190 2.463 2.363 2.633 . 0 0 "[ . 1 . 2]" 1 1463 1 57 ASN HB2 1 58 GLU H . . 3.370 2.577 2.508 2.622 . 0 0 "[ . 1 . 2]" 1 1464 1 57 ASN HB2 1 58 GLU HA . . 4.960 4.855 4.784 4.900 . 0 0 "[ . 1 . 2]" 1 1465 1 57 ASN HB2 1 58 GLU HB3 . . 5.110 4.842 4.762 4.894 . 0 0 "[ . 1 . 2]" 1 1466 1 57 ASN HB3 1 58 GLU H . . 2.920 2.552 2.504 2.621 . 0 0 "[ . 1 . 2]" 1 1467 1 57 ASN HB3 1 59 PHE H . . 5.060 4.785 4.748 4.818 . 0 0 "[ . 1 . 2]" 1 1468 1 57 ASN HB3 1 60 ILE H . . 5.500 5.302 5.277 5.332 . 0 0 "[ . 1 . 2]" 1 1469 1 57 ASN HB3 1 61 SER H . . 5.500 5.170 5.123 5.195 . 0 0 "[ . 1 . 2]" 1 1470 1 57 ASN HB3 1 61 SER HB2 . . 4.850 4.784 4.632 4.852 0.002 9 0 "[ . 1 . 2]" 1 1471 1 57 ASN HB3 1 61 SER HB3 . . 5.500 5.517 5.508 5.526 0.026 6 0 "[ . 1 . 2]" 1 1472 1 57 ASN HD21 1 58 GLU H . . 4.800 4.685 4.604 4.733 . 0 0 "[ . 1 . 2]" 1 1473 1 58 GLU H 1 58 GLU HB2 . . 3.710 3.587 3.586 3.588 . 0 0 "[ . 1 . 2]" 1 1474 1 58 GLU H 1 58 GLU HB3 . . 3.710 2.658 2.650 2.665 . 0 0 "[ . 1 . 2]" 1 1475 1 58 GLU H 1 58 GLU HG2 . . 3.660 1.906 1.900 1.917 . 0 0 "[ . 1 . 2]" 1 1476 1 58 GLU H 1 58 GLU QG . . 3.100 1.897 1.891 1.907 . 0 0 "[ . 1 . 2]" 1 1477 1 58 GLU H 1 58 GLU HG3 . . 3.660 3.436 3.417 3.449 . 0 0 "[ . 1 . 2]" 1 1478 1 58 GLU H 1 59 PHE HA . . 5.500 5.312 5.301 5.325 . 0 0 "[ . 1 . 2]" 1 1479 1 58 GLU H 1 60 ILE H . . 5.500 4.496 4.481 4.501 . 0 0 "[ . 1 . 2]" 1 1480 1 58 GLU H 1 61 SER HB2 . . 5.120 5.002 4.867 5.053 . 0 0 "[ . 1 . 2]" 1 1481 1 58 GLU HA 1 58 GLU HB3 . . 2.990 2.370 2.368 2.373 . 0 0 "[ . 1 . 2]" 1 1482 1 58 GLU HA 1 60 ILE H . . 5.500 4.141 4.111 4.166 . 0 0 "[ . 1 . 2]" 1 1483 1 58 GLU HA 1 61 SER H . . 3.170 3.009 2.991 3.019 . 0 0 "[ . 1 . 2]" 1 1484 1 58 GLU HA 1 61 SER HB2 . . 3.170 2.649 2.560 2.687 . 0 0 "[ . 1 . 2]" 1 1485 1 58 GLU HB2 1 59 PHE H . . 3.870 3.741 3.714 3.770 . 0 0 "[ . 1 . 2]" 1 1486 1 58 GLU HB2 1 59 PHE HB2 . . 5.500 5.512 5.499 5.528 0.028 17 0 "[ . 1 . 2]" 1 1487 1 58 GLU HB2 1 60 ILE H . . 5.500 5.498 5.476 5.511 0.011 17 0 "[ . 1 . 2]" 1 1488 1 58 GLU HB2 1 61 SER H . . 5.500 4.865 4.837 4.890 . 0 0 "[ . 1 . 2]" 1 1489 1 58 GLU HB2 1 61 SER HB2 . . 5.500 4.861 4.822 4.891 . 0 0 "[ . 1 . 2]" 1 1490 1 58 GLU HB3 1 59 PHE H . . 4.240 4.112 4.089 4.129 . 0 0 "[ . 1 . 2]" 1 1491 1 58 GLU QG 1 59 PHE H . . 2.660 2.314 2.277 2.356 . 0 0 "[ . 1 . 2]" 1 1492 1 58 GLU QG 1 59 PHE HA . . 4.470 3.573 3.543 3.598 . 0 0 "[ . 1 . 2]" 1 1493 1 58 GLU QG 1 60 ILE H . . 5.340 4.659 4.638 4.675 . 0 0 "[ . 1 . 2]" 1 1494 1 58 GLU QG 1 61 SER H . . 5.340 5.047 5.026 5.066 . 0 0 "[ . 1 . 2]" 1 1495 1 58 GLU HG2 1 59 PHE H . . 3.290 2.445 2.408 2.506 . 0 0 "[ . 1 . 2]" 1 1496 1 58 GLU HG3 1 59 PHE H . . 3.290 2.861 2.802 2.927 . 0 0 "[ . 1 . 2]" 1 1497 1 59 PHE H 1 59 PHE HB2 . . 2.410 2.278 2.262 2.304 . 0 0 "[ . 1 . 2]" 1 1498 1 59 PHE H 1 60 ILE H . . 2.910 2.808 2.787 2.836 . 0 0 "[ . 1 . 2]" 1 1499 1 59 PHE H 1 60 ILE HA . . 5.500 5.400 5.384 5.419 . 0 0 "[ . 1 . 2]" 1 1500 1 59 PHE H 1 60 ILE HG13 . . 4.660 4.116 4.082 4.152 . 0 0 "[ . 1 . 2]" 1 1501 1 59 PHE H 1 61 SER H . . 4.200 3.961 3.938 3.989 . 0 0 "[ . 1 . 2]" 1 1502 1 59 PHE H 1 62 PHE H . . 5.500 5.197 5.176 5.224 . 0 0 "[ . 1 . 2]" 1 1503 1 59 PHE HA 1 59 PHE HB2 . . 2.870 2.579 2.565 2.587 . 0 0 "[ . 1 . 2]" 1 1504 1 59 PHE HA 1 59 PHE HD1 . . 3.010 2.264 2.235 2.322 . 0 0 "[ . 1 . 2]" 1 1505 1 59 PHE HA 1 60 ILE HG12 . . 5.500 5.535 5.524 5.552 0.052 14 0 "[ . 1 . 2]" 1 1506 1 59 PHE HA 1 60 ILE HG13 . . 5.370 5.109 5.095 5.136 . 0 0 "[ . 1 . 2]" 1 1507 1 59 PHE HA 1 62 PHE HB2 . . 4.940 4.478 4.416 4.534 . 0 0 "[ . 1 . 2]" 1 1508 1 59 PHE HA 1 63 CYS H . . 4.360 4.155 4.122 4.190 . 0 0 "[ . 1 . 2]" 1 1509 1 59 PHE HA 1 63 CYS HB2 . . 4.930 4.542 4.501 4.566 . 0 0 "[ . 1 . 2]" 1 1510 1 59 PHE HB2 1 59 PHE HD1 . . 3.020 2.745 2.715 2.761 . 0 0 "[ . 1 . 2]" 1 1511 1 59 PHE HB3 1 59 PHE HD2 . . 3.120 2.285 2.284 2.286 . 0 0 "[ . 1 . 2]" 1 1512 1 59 PHE HB3 1 60 ILE H . . 2.720 2.589 2.563 2.617 . 0 0 "[ . 1 . 2]" 1 1513 1 59 PHE HB3 1 60 ILE HB . . 5.190 4.974 4.950 4.987 . 0 0 "[ . 1 . 2]" 1 1514 1 59 PHE HB3 1 60 ILE MD . . 5.500 4.259 4.234 4.282 . 0 0 "[ . 1 . 2]" 1 1515 1 59 PHE HB3 1 60 ILE HG12 . . 4.930 3.373 3.358 3.389 . 0 0 "[ . 1 . 2]" 1 1516 1 59 PHE HB3 1 60 ILE HG13 . . 5.500 2.974 2.936 3.000 . 0 0 "[ . 1 . 2]" 1 1517 1 59 PHE HB3 1 60 ILE MG . . 5.500 4.992 4.981 5.000 . 0 0 "[ . 1 . 2]" 1 1518 1 59 PHE HB3 1 61 SER H . . 4.790 4.794 4.778 4.805 0.015 14 0 "[ . 1 . 2]" 1 1519 1 59 PHE HD2 1 60 ILE H . . 4.580 4.334 4.267 4.375 . 0 0 "[ . 1 . 2]" 1 1520 1 59 PHE HD2 1 60 ILE HG12 . . 5.180 3.482 3.373 3.526 . 0 0 "[ . 1 . 2]" 1 1521 1 59 PHE HD2 1 60 ILE HG13 . . 4.560 4.142 4.065 4.197 . 0 0 "[ . 1 . 2]" 1 1522 1 59 PHE HD2 1 60 ILE MG . . 5.500 5.054 4.945 5.088 . 0 0 "[ . 1 . 2]" 1 1523 1 59 PHE HE2 1 63 CYS HB2 . . 5.310 5.139 5.053 5.259 . 0 0 "[ . 1 . 2]" 1 1524 1 60 ILE H 1 60 ILE HB . . 2.900 2.763 2.758 2.769 . 0 0 "[ . 1 . 2]" 1 1525 1 60 ILE H 1 60 ILE MD . . 4.760 3.600 3.596 3.606 . 0 0 "[ . 1 . 2]" 1 1526 1 60 ILE H 1 60 ILE HG12 . . 3.130 2.986 2.955 3.009 . 0 0 "[ . 1 . 2]" 1 1527 1 60 ILE H 1 60 ILE HG13 . . 2.920 1.925 1.918 1.935 . 0 0 "[ . 1 . 2]" 1 1528 1 60 ILE H 1 61 SER H . . 2.660 2.349 2.332 2.378 . 0 0 "[ . 1 . 2]" 1 1529 1 60 ILE H 1 61 SER HB2 . . 5.300 4.782 4.685 4.833 . 0 0 "[ . 1 . 2]" 1 1530 1 60 ILE H 1 62 PHE H . . 5.500 4.348 4.327 4.371 . 0 0 "[ . 1 . 2]" 1 1531 1 60 ILE H 1 63 CYS HB2 . . 5.500 5.481 5.452 5.506 0.006 7 0 "[ . 1 . 2]" 1 1532 1 60 ILE HA 1 60 ILE HG12 . . 3.300 2.703 2.692 2.711 . 0 0 "[ . 1 . 2]" 1 1533 1 60 ILE HA 1 60 ILE HG13 . . 3.380 3.339 3.331 3.346 . 0 0 "[ . 1 . 2]" 1 1534 1 60 ILE HA 1 60 ILE MG . . 3.550 2.284 2.278 2.288 . 0 0 "[ . 1 . 2]" 1 1535 1 60 ILE HA 1 62 PHE H . . 4.500 4.288 4.275 4.308 . 0 0 "[ . 1 . 2]" 1 1536 1 60 ILE HA 1 63 CYS HB3 . . 2.840 2.096 2.074 2.111 . 0 0 "[ . 1 . 2]" 1 1537 1 60 ILE HA 1 64 ASN H . . 3.870 3.244 3.234 3.258 . 0 0 "[ . 1 . 2]" 1 1538 1 60 ILE HA 1 64 ASN HA . . 5.290 4.916 4.901 4.930 . 0 0 "[ . 1 . 2]" 1 1539 1 60 ILE HB 1 60 ILE MD . . 3.280 2.422 2.413 2.431 . 0 0 "[ . 1 . 2]" 1 1540 1 60 ILE HB 1 61 SER H . . 3.190 2.900 2.870 2.931 . 0 0 "[ . 1 . 2]" 1 1541 1 60 ILE HB 1 61 SER HA . . 5.340 4.000 3.993 4.009 . 0 0 "[ . 1 . 2]" 1 1542 1 60 ILE HB 1 61 SER HB2 . . 5.450 4.699 4.649 4.738 . 0 0 "[ . 1 . 2]" 1 1543 1 60 ILE HB 1 62 PHE H . . 5.500 5.303 5.274 5.331 . 0 0 "[ . 1 . 2]" 1 1544 1 60 ILE HB 1 63 CYS HB3 . . 5.060 5.046 5.022 5.061 0.001 17 0 "[ . 1 . 2]" 1 1545 1 60 ILE HB 1 64 ASN H . . 5.190 5.018 5.009 5.038 . 0 0 "[ . 1 . 2]" 1 1546 1 60 ILE HB 1 64 ASN QB . . 5.220 4.316 4.291 4.384 . 0 0 "[ . 1 . 2]" 1 1547 1 60 ILE MD 1 61 SER H . . 5.490 4.691 4.678 4.706 . 0 0 "[ . 1 . 2]" 1 1548 1 60 ILE HG12 1 60 ILE MG . . 2.590 2.385 2.372 2.395 . 0 0 "[ . 1 . 2]" 1 1549 1 60 ILE HG12 1 61 SER H . . 5.110 4.756 4.744 4.765 . 0 0 "[ . 1 . 2]" 1 1550 1 60 ILE HG13 1 61 SER H . . 4.110 3.823 3.811 3.831 . 0 0 "[ . 1 . 2]" 1 1551 1 60 ILE MG 1 61 SER H . . 4.480 3.963 3.945 3.982 . 0 0 "[ . 1 . 2]" 1 1552 1 60 ILE MG 1 63 CYS H . . 5.500 4.826 4.809 4.839 . 0 0 "[ . 1 . 2]" 1 1553 1 60 ILE MG 1 63 CYS HB3 . . 5.470 3.527 3.495 3.548 . 0 0 "[ . 1 . 2]" 1 1554 1 60 ILE MG 1 64 ASN H . . 4.070 3.387 3.375 3.396 . 0 0 "[ . 1 . 2]" 1 1555 1 60 ILE MG 1 64 ASN HA . . 4.050 3.781 3.751 3.798 . 0 0 "[ . 1 . 2]" 1 1556 1 60 ILE MG 1 64 ASN QB . . 4.340 2.384 2.355 2.453 . 0 0 "[ . 1 . 2]" 1 1557 1 61 SER H 1 61 SER HB2 . . 2.780 2.639 2.564 2.674 . 0 0 "[ . 1 . 2]" 1 1558 1 61 SER H 1 61 SER HB3 . . 4.080 2.442 2.410 2.513 . 0 0 "[ . 1 . 2]" 1 1559 1 61 SER H 1 62 PHE HB2 . . 5.500 4.854 4.824 4.868 . 0 0 "[ . 1 . 2]" 1 1560 1 61 SER H 1 63 CYS H . . 4.320 4.264 4.241 4.284 . 0 0 "[ . 1 . 2]" 1 1561 1 61 SER H 1 63 CYS HB3 . . 5.500 4.882 4.860 4.902 . 0 0 "[ . 1 . 2]" 1 1562 1 61 SER H 1 64 ASN H . . 5.500 4.652 4.644 4.659 . 0 0 "[ . 1 . 2]" 1 1563 1 61 SER H 1 64 ASN QB . . 5.340 4.761 4.754 4.774 . 0 0 "[ . 1 . 2]" 1 1564 1 61 SER HA 1 61 SER HB2 . . 2.550 2.391 2.376 2.424 . 0 0 "[ . 1 . 2]" 1 1565 1 61 SER HA 1 64 ASN H . . 4.940 4.280 4.267 4.289 . 0 0 "[ . 1 . 2]" 1 1566 1 61 SER HA 1 65 ALA H . . 5.500 5.441 5.413 5.481 . 0 0 "[ . 1 . 2]" 1 1567 1 61 SER HB2 1 62 PHE HB2 . . 5.500 5.548 5.514 5.566 0.066 8 0 "[ . 1 . 2]" 1 1568 1 61 SER HB3 1 62 PHE H . . 3.410 2.538 2.509 2.557 . 0 0 "[ . 1 . 2]" 1 1569 1 61 SER HB3 1 62 PHE HB2 . . 5.500 3.879 3.824 3.907 . 0 0 "[ . 1 . 2]" 1 1570 1 61 SER HB3 1 63 CYS H . . 5.030 4.897 4.870 4.920 . 0 0 "[ . 1 . 2]" 1 1571 1 62 PHE H 1 62 PHE HB2 . . 3.110 2.178 2.166 2.187 . 0 0 "[ . 1 . 2]" 1 1572 1 62 PHE H 1 62 PHE HB3 . . 3.270 3.191 3.165 3.237 . 0 0 "[ . 1 . 2]" 1 1573 1 62 PHE H 1 63 CYS H . . 2.480 2.427 2.419 2.432 . 0 0 "[ . 1 . 2]" 1 1574 1 62 PHE H 1 63 CYS HB2 . . 5.320 4.893 4.860 4.909 . 0 0 "[ . 1 . 2]" 1 1575 1 62 PHE H 1 63 CYS HB3 . . 5.500 4.390 4.374 4.414 . 0 0 "[ . 1 . 2]" 1 1576 1 62 PHE H 1 64 ASN H . . 3.950 3.859 3.850 3.868 . 0 0 "[ . 1 . 2]" 1 1577 1 62 PHE H 1 64 ASN QB . . 5.340 4.709 4.659 4.733 . 0 0 "[ . 1 . 2]" 1 1578 1 62 PHE H 1 65 ALA H . . 5.120 5.042 5.033 5.050 . 0 0 "[ . 1 . 2]" 1 1579 1 62 PHE H 1 65 ALA MB . . 5.500 5.256 5.246 5.266 . 0 0 "[ . 1 . 2]" 1 1580 1 62 PHE HA 1 63 CYS HA . . 5.500 4.862 4.860 4.864 . 0 0 "[ . 1 . 2]" 1 1581 1 62 PHE HA 1 64 ASN H . . 4.640 4.142 4.128 4.152 . 0 0 "[ . 1 . 2]" 1 1582 1 62 PHE HA 1 64 ASN QB . . 5.340 4.503 4.491 4.515 . 0 0 "[ . 1 . 2]" 1 1583 1 62 PHE HA 1 65 ALA H . . 3.620 3.466 3.456 3.477 . 0 0 "[ . 1 . 2]" 1 1584 1 62 PHE HA 1 65 ALA MB . . 3.130 2.952 2.938 2.963 . 0 0 "[ . 1 . 2]" 1 1585 1 62 PHE HB2 1 62 PHE HD1 . . 3.190 2.722 2.672 2.810 . 0 0 "[ . 1 . 2]" 1 1586 1 62 PHE HB2 1 63 CYS H . . 3.570 3.101 3.044 3.127 . 0 0 "[ . 1 . 2]" 1 1587 1 62 PHE HB2 1 63 CYS HB2 . . 5.500 5.317 5.223 5.354 . 0 0 "[ . 1 . 2]" 1 1588 1 62 PHE HB2 1 63 CYS HB3 . . 5.460 5.508 5.478 5.538 0.078 15 0 "[ . 1 . 2]" 1 1589 1 62 PHE HB3 1 63 CYS H . . 3.070 2.695 2.656 2.744 . 0 0 "[ . 1 . 2]" 1 1590 1 62 PHE HB3 1 64 ASN H . . 5.400 4.940 4.925 4.959 . 0 0 "[ . 1 . 2]" 1 1591 1 63 CYS H 1 63 CYS HB2 . . 3.370 2.608 2.581 2.622 . 0 0 "[ . 1 . 2]" 1 1592 1 63 CYS H 1 63 CYS HB3 . . 3.570 2.458 2.445 2.485 . 0 0 "[ . 1 . 2]" 1 1593 1 63 CYS H 1 64 ASN H . . 2.910 2.816 2.808 2.823 . 0 0 "[ . 1 . 2]" 1 1594 1 63 CYS H 1 64 ASN HA . . 5.500 5.380 5.372 5.385 . 0 0 "[ . 1 . 2]" 1 1595 1 63 CYS H 1 64 ASN QB . . 5.340 4.544 4.517 4.554 . 0 0 "[ . 1 . 2]" 1 1596 1 63 CYS H 1 65 ALA H . . 4.350 4.290 4.261 4.320 . 0 0 "[ . 1 . 2]" 1 1597 1 63 CYS H 1 65 ALA MB . . 5.500 4.980 4.959 5.009 . 0 0 "[ . 1 . 2]" 1 1598 1 63 CYS HA 1 64 ASN HA . . 5.500 4.846 4.842 4.849 . 0 0 "[ . 1 . 2]" 1 1599 1 63 CYS HA 1 65 ALA H . . 4.180 4.041 3.995 4.088 . 0 0 "[ . 1 . 2]" 1 1600 1 63 CYS HA 1 65 ALA MB . . 5.450 4.687 4.643 4.747 . 0 0 "[ . 1 . 2]" 1 1601 1 63 CYS HA 1 66 ASN H . . 3.450 3.360 3.342 3.378 . 0 0 "[ . 1 . 2]" 1 1602 1 63 CYS HA 1 66 ASN HB2 . . 4.030 2.821 2.693 2.910 . 0 0 "[ . 1 . 2]" 1 1603 1 63 CYS HA 1 66 ASN HB3 . . 4.710 4.495 4.343 4.598 . 0 0 "[ . 1 . 2]" 1 1604 1 63 CYS HA 1 66 ASN HD21 . . 5.500 3.964 3.943 4.007 . 0 0 "[ . 1 . 2]" 1 1605 1 63 CYS HA 1 70 MET H . . 5.500 5.551 5.524 5.585 0.085 8 0 "[ . 1 . 2]" 1 1606 1 63 CYS HA 1 70 MET ME . . 5.500 4.258 4.030 4.490 . 0 0 "[ . 1 . 2]" 1 1607 1 63 CYS HB2 1 64 ASN H . . 4.280 4.022 4.008 4.029 . 0 0 "[ . 1 . 2]" 1 1608 1 63 CYS HB2 1 66 ASN H . . 5.500 5.512 5.501 5.527 0.027 4 0 "[ . 1 . 2]" 1 1609 1 63 CYS HB3 1 64 ASN H . . 3.630 2.740 2.731 2.748 . 0 0 "[ . 1 . 2]" 1 1610 1 63 CYS HB3 1 64 ASN HA . . 4.870 4.376 4.345 4.392 . 0 0 "[ . 1 . 2]" 1 1611 1 63 CYS HB3 1 65 ALA H . . 5.500 5.058 5.026 5.085 . 0 0 "[ . 1 . 2]" 1 1612 1 63 CYS HB3 1 66 ASN H . . 5.500 5.326 5.300 5.345 . 0 0 "[ . 1 . 2]" 1 1613 1 64 ASN H 1 64 ASN HA . . 2.940 2.780 2.777 2.782 . 0 0 "[ . 1 . 2]" 1 1614 1 64 ASN H 1 64 ASN QB . . 2.370 2.248 2.213 2.255 . 0 0 "[ . 1 . 2]" 1 1615 1 64 ASN H 1 64 ASN QD . . 4.190 4.204 4.117 4.219 0.029 4 0 "[ . 1 . 2]" 1 1616 1 64 ASN H 1 65 ALA H . . 2.870 2.726 2.712 2.738 . 0 0 "[ . 1 . 2]" 1 1617 1 64 ASN H 1 65 ALA HA . . 5.500 5.326 5.315 5.336 . 0 0 "[ . 1 . 2]" 1 1618 1 64 ASN H 1 65 ALA MB . . 4.650 4.308 4.299 4.317 . 0 0 "[ . 1 . 2]" 1 1619 1 64 ASN H 1 66 ASN HD21 . . 5.500 5.534 5.521 5.544 0.044 4 0 "[ . 1 . 2]" 1 1620 1 64 ASN HA 1 64 ASN QB . . 2.310 2.340 2.271 2.353 0.043 16 0 "[ . 1 . 2]" 1 1621 1 64 ASN HA 1 64 ASN HD21 . . 4.770 2.286 1.944 4.246 . 0 0 "[ . 1 . 2]" 1 1622 1 64 ASN HA 1 64 ASN QD . . 4.140 2.236 1.935 3.954 . 0 0 "[ . 1 . 2]" 1 1623 1 64 ASN HA 1 64 ASN HD22 . . 4.770 3.692 3.515 4.715 . 0 0 "[ . 1 . 2]" 1 1624 1 64 ASN HA 1 65 ALA MB . . 5.500 4.994 4.990 4.998 . 0 0 "[ . 1 . 2]" 1 1625 1 64 ASN QB 1 64 ASN QD . . 2.980 2.504 2.112 2.573 . 0 0 "[ . 1 . 2]" 1 1626 1 64 ASN QB 1 65 ALA H . . 3.160 2.732 2.683 2.801 . 0 0 "[ . 1 . 2]" 1 1627 1 64 ASN QB 1 65 ALA MB . . 4.720 3.913 3.869 4.025 . 0 0 "[ . 1 . 2]" 1 1628 1 64 ASN QB 1 66 ASN H . . 5.340 4.534 4.499 4.590 . 0 0 "[ . 1 . 2]" 1 1629 1 65 ALA H 1 65 ALA HA . . 2.890 2.845 2.837 2.856 . 0 0 "[ . 1 . 2]" 1 1630 1 65 ALA H 1 65 ALA MB . . 2.750 2.040 2.035 2.048 . 0 0 "[ . 1 . 2]" 1 1631 1 65 ALA H 1 66 ASN HA . . 5.500 5.181 5.150 5.205 . 0 0 "[ . 1 . 2]" 1 1632 1 65 ALA H 1 66 ASN HB2 . . 4.820 4.601 4.520 4.653 . 0 0 "[ . 1 . 2]" 1 1633 1 65 ALA H 1 66 ASN HD21 . . 3.880 3.613 3.574 3.644 . 0 0 "[ . 1 . 2]" 1 1634 1 65 ALA HA 1 66 ASN H . . 3.550 3.404 3.378 3.416 . 0 0 "[ . 1 . 2]" 1 1635 1 65 ALA HA 1 66 ASN HD21 . . 4.750 4.191 4.159 4.260 . 0 0 "[ . 1 . 2]" 1 1636 1 65 ALA HA 1 67 PRO HD3 . . 3.550 3.439 3.393 3.468 . 0 0 "[ . 1 . 2]" 1 1637 1 65 ALA MB 1 66 ASN H . . 3.930 3.103 3.078 3.154 . 0 0 "[ . 1 . 2]" 1 1638 1 65 ALA MB 1 66 ASN HB2 . . 5.500 4.411 4.396 4.436 . 0 0 "[ . 1 . 2]" 1 1639 1 65 ALA MB 1 66 ASN HD21 . . 3.510 2.370 2.337 2.440 . 0 0 "[ . 1 . 2]" 1 1640 1 65 ALA MB 1 66 ASN HD22 . . 3.420 3.032 2.977 3.146 . 0 0 "[ . 1 . 2]" 1 1641 1 65 ALA MB 1 67 PRO HD2 . . 5.500 4.830 4.795 4.850 . 0 0 "[ . 1 . 2]" 1 1642 1 65 ALA MB 1 67 PRO HD3 . . 5.500 4.339 4.308 4.357 . 0 0 "[ . 1 . 2]" 1 1643 1 66 ASN H 1 66 ASN HB2 . . 2.550 2.440 2.427 2.446 . 0 0 "[ . 1 . 2]" 1 1644 1 66 ASN H 1 66 ASN HB3 . . 3.740 3.655 3.642 3.660 . 0 0 "[ . 1 . 2]" 1 1645 1 66 ASN H 1 66 ASN HD21 . . 2.560 2.419 2.382 2.495 . 0 0 "[ . 1 . 2]" 1 1646 1 66 ASN H 1 67 PRO HA . . 4.830 4.766 4.754 4.775 . 0 0 "[ . 1 . 2]" 1 1647 1 66 ASN H 1 67 PRO HD2 . . 4.300 4.217 4.198 4.232 . 0 0 "[ . 1 . 2]" 1 1648 1 66 ASN H 1 67 PRO HD3 . . 3.670 3.565 3.536 3.587 . 0 0 "[ . 1 . 2]" 1 1649 1 66 ASN H 1 70 MET HG2 . . 5.500 5.074 5.018 5.132 . 0 0 "[ . 1 . 2]" 1 1650 1 66 ASN HA 1 69 LEU H . . 4.700 4.009 4.004 4.021 . 0 0 "[ . 1 . 2]" 1 1651 1 66 ASN HA 1 69 LEU HB3 . . 4.700 4.702 4.644 4.721 0.021 15 0 "[ . 1 . 2]" 1 1652 1 66 ASN HB2 1 66 ASN HD21 . . 3.130 2.606 2.577 2.622 . 0 0 "[ . 1 . 2]" 1 1653 1 66 ASN HB2 1 66 ASN HD22 . . 3.980 3.635 3.623 3.642 . 0 0 "[ . 1 . 2]" 1 1654 1 66 ASN HB2 1 67 PRO HA . . 5.470 5.358 5.349 5.379 . 0 0 "[ . 1 . 2]" 1 1655 1 66 ASN HB2 1 69 LEU H . . 4.680 4.170 4.128 4.230 . 0 0 "[ . 1 . 2]" 1 1656 1 66 ASN HB2 1 69 LEU MD2 . . 5.500 4.157 4.108 4.221 . 0 0 "[ . 1 . 2]" 1 1657 1 66 ASN HB3 1 67 PRO HA . . 5.500 5.153 5.131 5.164 . 0 0 "[ . 1 . 2]" 1 1658 1 66 ASN HB3 1 67 PRO HD2 . . 5.000 4.245 4.226 4.276 . 0 0 "[ . 1 . 2]" 1 1659 1 66 ASN HB3 1 69 LEU H . . 3.560 2.843 2.817 2.914 . 0 0 "[ . 1 . 2]" 1 1660 1 66 ASN HB3 1 69 LEU HA . . 4.830 4.640 4.613 4.656 . 0 0 "[ . 1 . 2]" 1 1661 1 66 ASN HB3 1 69 LEU HB3 . . 3.340 2.341 2.312 2.356 . 0 0 "[ . 1 . 2]" 1 1662 1 66 ASN HB3 1 69 LEU MD1 . . 3.400 3.085 2.997 3.128 . 0 0 "[ . 1 . 2]" 1 1663 1 66 ASN HB3 1 69 LEU MD2 . . 5.500 4.051 4.004 4.072 . 0 0 "[ . 1 . 2]" 1 1664 1 66 ASN HB3 1 69 LEU HG . . 5.020 4.888 4.839 4.918 . 0 0 "[ . 1 . 2]" 1 1665 1 66 ASN HB3 1 70 MET H . . 5.280 3.791 3.764 3.830 . 0 0 "[ . 1 . 2]" 1 1666 1 66 ASN HB3 1 70 MET HB3 . . 5.500 5.493 5.440 5.527 0.027 20 0 "[ . 1 . 2]" 1 1667 1 66 ASN HD21 1 69 LEU MD1 . . 5.500 5.190 5.164 5.207 . 0 0 "[ . 1 . 2]" 1 1668 1 66 ASN HD22 1 67 PRO HD2 . . 5.500 5.573 5.533 5.596 0.096 4 0 "[ . 1 . 2]" 1 1669 1 67 PRO HA 1 69 LEU H . . 4.170 3.967 3.921 4.000 . 0 0 "[ . 1 . 2]" 1 1670 1 67 PRO HA 1 69 LEU HB3 . . 5.500 5.399 5.318 5.438 . 0 0 "[ . 1 . 2]" 1 1671 1 67 PRO HA 1 70 MET H . . 4.080 3.731 3.661 3.776 . 0 0 "[ . 1 . 2]" 1 1672 1 67 PRO HA 1 70 MET ME . . 4.480 2.851 2.751 2.910 . 0 0 "[ . 1 . 2]" 1 1673 1 67 PRO HA 1 70 MET HG2 . . 4.350 2.020 1.950 2.140 . 0 0 "[ . 1 . 2]" 1 1674 1 67 PRO HA 1 70 MET HG3 . . 3.720 3.003 2.982 3.044 . 0 0 "[ . 1 . 2]" 1 1675 1 67 PRO HA 1 71 LYS H . . 4.570 4.531 4.508 4.552 . 0 0 "[ . 1 . 2]" 1 1676 1 67 PRO HA 1 71 LYS HG3 . . 5.110 4.120 4.062 4.181 . 0 0 "[ . 1 . 2]" 1 1677 1 67 PRO QB 1 68 GLY H . . 3.670 3.344 3.250 3.383 . 0 0 "[ . 1 . 2]" 1 1678 1 67 PRO QB 1 71 LYS H . . 5.340 5.439 5.404 5.465 0.125 2 0 "[ . 1 . 2]" 1 1679 1 67 PRO HB2 1 68 GLY HA2 . . 5.500 4.151 4.106 4.172 . 0 0 "[ . 1 . 2]" 1 1680 1 67 PRO HB3 1 68 GLY HA2 . . 5.500 5.596 5.574 5.605 0.105 20 0 "[ . 1 . 2]" 1 1681 1 67 PRO HD2 1 68 GLY H . . 4.100 2.673 2.651 2.688 . 0 0 "[ . 1 . 2]" 1 1682 1 67 PRO HD2 1 68 GLY HA3 . . 4.820 4.744 4.742 4.747 . 0 0 "[ . 1 . 2]" 1 1683 1 67 PRO HD2 1 69 LEU H . . 5.240 4.503 4.447 4.528 . 0 0 "[ . 1 . 2]" 1 1684 1 67 PRO HD2 1 70 MET HG2 . . 5.500 5.432 5.396 5.498 . 0 0 "[ . 1 . 2]" 1 1685 1 67 PRO HD3 1 68 GLY H . . 5.500 3.857 3.842 3.866 . 0 0 "[ . 1 . 2]" 1 1686 1 67 PRO HD3 1 69 LEU H . . 5.500 5.376 5.332 5.387 . 0 0 "[ . 1 . 2]" 1 1687 1 67 PRO QG 1 68 GLY H . . 3.250 2.559 2.414 2.621 . 0 0 "[ . 1 . 2]" 1 1688 1 68 GLY H 1 69 LEU H . . 3.370 2.446 2.415 2.513 . 0 0 "[ . 1 . 2]" 1 1689 1 68 GLY H 1 69 LEU HB2 . . 5.500 4.689 4.637 4.749 . 0 0 "[ . 1 . 2]" 1 1690 1 68 GLY H 1 69 LEU HB3 . . 5.270 4.716 4.683 4.790 . 0 0 "[ . 1 . 2]" 1 1691 1 68 GLY H 1 70 MET H . . 5.110 4.328 4.300 4.397 . 0 0 "[ . 1 . 2]" 1 1692 1 68 GLY H 1 71 LYS H . . 5.180 5.067 5.050 5.118 . 0 0 "[ . 1 . 2]" 1 1693 1 68 GLY HA2 1 70 MET H . . 4.990 4.908 4.882 4.921 . 0 0 "[ . 1 . 2]" 1 1694 1 68 GLY HA2 1 71 LYS H . . 4.570 3.971 3.956 3.985 . 0 0 "[ . 1 . 2]" 1 1695 1 68 GLY HA2 1 71 LYS HB2 . . 4.320 3.225 3.154 3.313 . 0 0 "[ . 1 . 2]" 1 1696 1 68 GLY HA2 1 71 LYS HD2 . . 5.500 3.889 2.633 4.959 . 0 0 "[ . 1 . 2]" 1 1697 1 68 GLY HA2 1 71 LYS HD3 . . 5.500 4.914 4.391 5.217 . 0 0 "[ . 1 . 2]" 1 1698 1 68 GLY HA2 1 71 LYS QE . . 3.560 2.608 2.021 3.576 0.016 8 0 "[ . 1 . 2]" 1 1699 1 68 GLY HA2 1 71 LYS HG2 . . 5.500 5.331 5.194 5.424 . 0 0 "[ . 1 . 2]" 1 1700 1 68 GLY HA2 1 71 LYS HG3 . . 4.340 3.943 3.903 3.977 . 0 0 "[ . 1 . 2]" 1 1701 1 68 GLY HA3 1 69 LEU H . . 3.230 3.092 3.078 3.108 . 0 0 "[ . 1 . 2]" 1 1702 1 68 GLY HA3 1 70 MET H . . 5.500 5.227 5.207 5.256 . 0 0 "[ . 1 . 2]" 1 1703 1 69 LEU H 1 69 LEU HB2 . . 3.180 2.698 2.692 2.702 . 0 0 "[ . 1 . 2]" 1 1704 1 69 LEU H 1 69 LEU HB3 . . 2.810 2.503 2.495 2.511 . 0 0 "[ . 1 . 2]" 1 1705 1 69 LEU H 1 69 LEU MD1 . . 5.500 4.297 4.294 4.301 . 0 0 "[ . 1 . 2]" 1 1706 1 69 LEU H 1 69 LEU MD2 . . 5.480 3.970 3.961 3.980 . 0 0 "[ . 1 . 2]" 1 1707 1 69 LEU H 1 69 LEU HG . . 4.740 4.556 4.554 4.557 . 0 0 "[ . 1 . 2]" 1 1708 1 69 LEU H 1 70 MET H . . 2.600 2.386 2.379 2.392 . 0 0 "[ . 1 . 2]" 1 1709 1 69 LEU H 1 70 MET HA . . 5.280 5.012 5.008 5.016 . 0 0 "[ . 1 . 2]" 1 1710 1 69 LEU H 1 72 ASP HB2 . . 5.500 5.241 5.218 5.261 . 0 0 "[ . 1 . 2]" 1 1711 1 69 LEU H 1 73 VAL MG1 . . 5.500 5.268 5.262 5.283 . 0 0 "[ . 1 . 2]" 1 1712 1 69 LEU HA 1 69 LEU MD2 . . 3.850 3.194 3.183 3.205 . 0 0 "[ . 1 . 2]" 1 1713 1 69 LEU HA 1 71 LYS H . . 4.830 3.800 3.789 3.813 . 0 0 "[ . 1 . 2]" 1 1714 1 69 LEU HA 1 72 ASP H . . 4.000 3.152 3.134 3.179 . 0 0 "[ . 1 . 2]" 1 1715 1 69 LEU HA 1 72 ASP HB2 . . 3.900 2.751 2.718 2.791 . 0 0 "[ . 1 . 2]" 1 1716 1 69 LEU HA 1 73 VAL MG1 . . 5.500 4.352 4.344 4.367 . 0 0 "[ . 1 . 2]" 1 1717 1 69 LEU HB2 1 69 LEU MD1 . . 3.410 2.207 2.185 2.219 . 0 0 "[ . 1 . 2]" 1 1718 1 69 LEU HB3 1 69 LEU MD1 . . 3.020 2.460 2.453 2.473 . 0 0 "[ . 1 . 2]" 1 1719 1 69 LEU HB3 1 70 MET H . . 2.730 2.378 2.359 2.393 . 0 0 "[ . 1 . 2]" 1 1720 1 69 LEU HB3 1 70 MET HA . . 5.320 4.140 4.133 4.147 . 0 0 "[ . 1 . 2]" 1 1721 1 69 LEU HB3 1 70 MET HG2 . . 4.400 4.196 4.076 4.255 . 0 0 "[ . 1 . 2]" 1 1722 1 69 LEU HB3 1 71 LYS H . . 5.500 4.639 4.625 4.656 . 0 0 "[ . 1 . 2]" 1 1723 1 69 LEU MD1 1 70 MET H . . 5.500 4.441 4.424 4.466 . 0 0 "[ . 1 . 2]" 1 1724 1 69 LEU MD2 1 70 MET H . . 5.340 2.762 2.749 2.785 . 0 0 "[ . 1 . 2]" 1 1725 1 69 LEU MD2 1 70 MET HA . . 5.500 2.604 2.592 2.621 . 0 0 "[ . 1 . 2]" 1 1726 1 69 LEU MD2 1 70 MET HB3 . . 5.500 3.613 3.595 3.633 . 0 0 "[ . 1 . 2]" 1 1727 1 69 LEU MD2 1 72 ASP H . . 5.500 4.081 4.065 4.108 . 0 0 "[ . 1 . 2]" 1 1728 1 69 LEU MD2 1 72 ASP HB2 . . 5.330 4.408 4.389 4.434 . 0 0 "[ . 1 . 2]" 1 1729 1 69 LEU MD2 1 72 ASP HB3 . . 4.350 4.378 4.370 4.393 0.043 15 0 "[ . 1 . 2]" 1 1730 1 69 LEU MD2 1 73 VAL H . . 4.120 2.943 2.917 2.968 . 0 0 "[ . 1 . 2]" 1 1731 1 69 LEU HG 1 70 MET H . . 5.500 4.555 4.546 4.561 . 0 0 "[ . 1 . 2]" 1 1732 1 69 LEU HG 1 70 MET HA . . 4.770 5.058 5.049 5.071 0.301 16 0 "[ . 1 . 2]" 1 1733 1 69 LEU HG 1 71 LYS H . . 5.500 5.631 5.616 5.646 0.146 20 0 "[ . 1 . 2]" 1 1734 1 69 LEU HG 1 72 ASP H . . 5.500 4.805 4.782 4.828 . 0 0 "[ . 1 . 2]" 1 1735 1 69 LEU HG 1 72 ASP HB2 . . 5.440 4.237 4.193 4.295 . 0 0 "[ . 1 . 2]" 1 1736 1 69 LEU HG 1 73 VAL H . . 4.800 4.207 4.168 4.264 . 0 0 "[ . 1 . 2]" 1 1737 1 70 MET H 1 70 MET HB3 . . 2.770 2.612 2.592 2.647 . 0 0 "[ . 1 . 2]" 1 1738 1 70 MET H 1 70 MET ME . . 5.500 3.615 3.398 3.719 . 0 0 "[ . 1 . 2]" 1 1739 1 70 MET H 1 70 MET HG2 . . 3.020 2.060 1.961 2.111 . 0 0 "[ . 1 . 2]" 1 1740 1 70 MET H 1 70 MET HG3 . . 3.190 3.054 3.005 3.115 . 0 0 "[ . 1 . 2]" 1 1741 1 70 MET H 1 71 LYS H . . 2.880 2.742 2.736 2.752 . 0 0 "[ . 1 . 2]" 1 1742 1 70 MET H 1 71 LYS HA . . 5.500 5.330 5.323 5.340 . 0 0 "[ . 1 . 2]" 1 1743 1 70 MET H 1 71 LYS QE . . 5.340 5.307 5.162 5.388 0.048 11 0 "[ . 1 . 2]" 1 1744 1 70 MET H 1 73 VAL MG1 . . 5.500 3.653 3.648 3.664 . 0 0 "[ . 1 . 2]" 1 1745 1 70 MET HA 1 70 MET HB2 . . 2.920 2.509 2.500 2.526 . 0 0 "[ . 1 . 2]" 1 1746 1 70 MET HA 1 70 MET ME . . 5.450 4.024 4.007 4.041 . 0 0 "[ . 1 . 2]" 1 1747 1 70 MET HA 1 70 MET HG3 . . 3.960 3.732 3.714 3.774 . 0 0 "[ . 1 . 2]" 1 1748 1 70 MET HA 1 72 ASP H . . 5.500 4.192 4.152 4.242 . 0 0 "[ . 1 . 2]" 1 1749 1 70 MET HA 1 72 ASP HB2 . . 5.500 5.796 5.784 5.805 0.305 10 0 "[ . 1 . 2]" 1 1750 1 70 MET HA 1 73 VAL H . . 4.100 3.505 3.478 3.528 . 0 0 "[ . 1 . 2]" 1 1751 1 70 MET HA 1 73 VAL HA . . 5.500 5.496 5.478 5.513 0.013 3 0 "[ . 1 . 2]" 1 1752 1 70 MET HA 1 73 VAL HB . . 3.500 3.990 3.982 3.998 0.498 14 0 "[ . 1 . 2]" 1 1753 1 70 MET HA 1 73 VAL MG1 . . 3.260 1.762 1.755 1.769 . 0 0 "[ . 1 . 2]" 1 1754 1 70 MET HA 1 74 ALA H . . 5.000 3.668 3.622 3.712 . 0 0 "[ . 1 . 2]" 1 1755 1 70 MET HB2 1 70 MET HG3 . . 2.550 2.497 2.453 2.517 . 0 0 "[ . 1 . 2]" 1 1756 1 70 MET HB2 1 71 LYS H . . 4.440 3.907 3.882 3.923 . 0 0 "[ . 1 . 2]" 1 1757 1 70 MET HB2 1 73 VAL MG1 . . 5.300 3.552 3.544 3.563 . 0 0 "[ . 1 . 2]" 1 1758 1 70 MET HB3 1 71 LYS H . . 4.900 4.176 4.163 4.194 . 0 0 "[ . 1 . 2]" 1 1759 1 70 MET HB3 1 73 VAL MG1 . . 5.500 3.595 3.565 3.614 . 0 0 "[ . 1 . 2]" 1 1760 1 70 MET HG2 1 71 LYS H . . 4.600 3.158 3.080 3.213 . 0 0 "[ . 1 . 2]" 1 1761 1 70 MET HG2 1 71 LYS HA . . 5.500 5.205 5.141 5.257 . 0 0 "[ . 1 . 2]" 1 1762 1 70 MET HG2 1 71 LYS HG2 . . 5.500 5.248 5.194 5.282 . 0 0 "[ . 1 . 2]" 1 1763 1 70 MET HG3 1 71 LYS H . . 3.410 2.504 2.430 2.588 . 0 0 "[ . 1 . 2]" 1 1764 1 70 MET HG3 1 71 LYS HA . . 4.100 3.676 3.640 3.741 . 0 0 "[ . 1 . 2]" 1 1765 1 70 MET HG3 1 71 LYS HD2 . . 5.500 5.217 4.577 5.522 0.022 2 0 "[ . 1 . 2]" 1 1766 1 70 MET HG3 1 71 LYS HD3 . . 5.500 5.121 4.792 5.320 . 0 0 "[ . 1 . 2]" 1 1767 1 70 MET HG3 1 71 LYS HG2 . . 4.020 3.655 3.607 3.706 . 0 0 "[ . 1 . 2]" 1 1768 1 70 MET HG3 1 71 LYS HG3 . . 4.570 2.458 2.258 2.612 . 0 0 "[ . 1 . 2]" 1 1769 1 70 MET HG3 1 72 ASP H . . 5.500 4.815 4.774 4.898 . 0 0 "[ . 1 . 2]" 1 1770 1 71 LYS H 1 71 LYS HA . . 2.840 2.882 2.879 2.884 0.044 16 0 "[ . 1 . 2]" 1 1771 1 71 LYS H 1 71 LYS HB2 . . 2.830 2.333 2.295 2.405 . 0 0 "[ . 1 . 2]" 1 1772 1 71 LYS H 1 71 LYS HD2 . . 5.500 4.540 3.902 5.048 . 0 0 "[ . 1 . 2]" 1 1773 1 71 LYS H 1 71 LYS HD3 . . 5.500 5.135 4.902 5.272 . 0 0 "[ . 1 . 2]" 1 1774 1 71 LYS H 1 71 LYS HG2 . . 3.750 3.756 3.720 3.787 0.037 9 0 "[ . 1 . 2]" 1 1775 1 71 LYS H 1 71 LYS HG3 . . 4.540 2.671 2.475 2.774 . 0 0 "[ . 1 . 2]" 1 1776 1 71 LYS H 1 72 ASP HA . . 5.400 5.060 5.054 5.074 . 0 0 "[ . 1 . 2]" 1 1777 1 71 LYS H 1 72 ASP HB2 . . 5.500 4.245 4.236 4.261 . 0 0 "[ . 1 . 2]" 1 1778 1 71 LYS H 1 73 VAL H . . 4.820 3.921 3.898 3.944 . 0 0 "[ . 1 . 2]" 1 1779 1 71 LYS H 1 73 VAL HB . . 5.500 5.966 5.958 5.977 0.477 15 0 "[ . 1 . 2]" 1 1780 1 71 LYS H 1 73 VAL MG1 . . 5.500 3.780 3.766 3.806 . 0 0 "[ . 1 . 2]" 1 1781 1 71 LYS H 1 74 ALA H . . 5.500 4.610 4.591 4.622 . 0 0 "[ . 1 . 2]" 1 1782 1 71 LYS HA 1 71 LYS HB3 . . 2.760 2.554 2.507 2.578 . 0 0 "[ . 1 . 2]" 1 1783 1 71 LYS HA 1 71 LYS QD . . 4.210 3.941 3.876 4.046 . 0 0 "[ . 1 . 2]" 1 1784 1 71 LYS HA 1 71 LYS QE . . 5.120 4.615 4.428 4.753 . 0 0 "[ . 1 . 2]" 1 1785 1 71 LYS HA 1 71 LYS HG3 . . 3.240 3.003 2.905 3.057 . 0 0 "[ . 1 . 2]" 1 1786 1 71 LYS HA 1 72 ASP HB2 . . 5.500 5.522 5.514 5.533 0.033 17 0 "[ . 1 . 2]" 1 1787 1 71 LYS HA 1 73 VAL H . . 4.740 4.614 4.569 4.653 . 0 0 "[ . 1 . 2]" 1 1788 1 71 LYS HA 1 74 ALA H . . 4.760 3.825 3.784 3.862 . 0 0 "[ . 1 . 2]" 1 1789 1 71 LYS HB2 1 71 LYS QE . . 3.820 2.902 1.990 3.742 . 0 0 "[ . 1 . 2]" 1 1790 1 71 LYS HB2 1 72 ASP H . . 3.740 2.919 2.845 2.963 . 0 0 "[ . 1 . 2]" 1 1791 1 71 LYS HB2 1 72 ASP HB2 . . 4.570 4.261 4.207 4.294 . 0 0 "[ . 1 . 2]" 1 1792 1 71 LYS HB2 1 73 VAL H . . 5.500 5.159 5.124 5.194 . 0 0 "[ . 1 . 2]" 1 1793 1 71 LYS HB3 1 71 LYS QE . . 4.350 3.626 2.975 4.189 . 0 0 "[ . 1 . 2]" 1 1794 1 71 LYS HB3 1 71 LYS HG2 . . 2.550 2.470 2.378 2.519 . 0 0 "[ . 1 . 2]" 1 1795 1 71 LYS HG3 1 72 ASP H . . 4.880 4.579 4.434 4.663 . 0 0 "[ . 1 . 2]" 1 1796 1 72 ASP H 1 72 ASP HB2 . . 3.300 2.156 2.138 2.168 . 0 0 "[ . 1 . 2]" 1 1797 1 72 ASP H 1 72 ASP HB3 . . 3.850 3.250 3.242 3.256 . 0 0 "[ . 1 . 2]" 1 1798 1 72 ASP H 1 73 VAL H . . 2.400 2.348 2.321 2.388 . 0 0 "[ . 1 . 2]" 1 1799 1 72 ASP H 1 73 VAL HB . . 5.070 4.840 4.813 4.878 . 0 0 "[ . 1 . 2]" 1 1800 1 72 ASP H 1 73 VAL MG1 . . 4.860 3.431 3.415 3.465 . 0 0 "[ . 1 . 2]" 1 1801 1 72 ASP H 1 74 ALA H . . 5.280 3.832 3.803 3.865 . 0 0 "[ . 1 . 2]" 1 1802 1 72 ASP H 1 75 LYS QD . . 5.340 4.735 4.655 4.825 . 0 0 "[ . 1 . 2]" 1 1803 1 72 ASP HA 1 74 ALA H . . 4.380 4.396 4.387 4.406 0.026 4 0 "[ . 1 . 2]" 1 1804 1 72 ASP HA 1 74 ALA MB . . 5.500 5.218 5.203 5.241 . 0 0 "[ . 1 . 2]" 1 1805 1 72 ASP HA 1 75 LYS H . . 4.220 3.816 3.794 3.838 . 0 0 "[ . 1 . 2]" 1 1806 1 72 ASP HA 1 75 LYS HB3 . . 3.760 2.692 2.657 2.735 . 0 0 "[ . 1 . 2]" 1 1807 1 72 ASP HA 1 75 LYS QD . . 5.340 2.033 1.986 2.356 . 0 0 "[ . 1 . 2]" 1 1808 1 72 ASP HA 1 75 LYS HE2 . . 5.500 4.384 3.221 5.114 . 0 0 "[ . 1 . 2]" 1 1809 1 72 ASP HA 1 75 LYS HE3 . . 5.500 4.231 3.457 5.025 . 0 0 "[ . 1 . 2]" 1 1810 1 72 ASP HA 1 75 LYS HG3 . . 5.500 4.759 4.708 4.814 . 0 0 "[ . 1 . 2]" 1 1811 1 72 ASP HB2 1 73 VAL H . . 3.810 3.185 3.164 3.210 . 0 0 "[ . 1 . 2]" 1 1812 1 72 ASP HB2 1 73 VAL MG1 . . 5.500 4.606 4.590 4.624 . 0 0 "[ . 1 . 2]" 1 1813 1 72 ASP HB2 1 74 ALA H . . 5.500 5.344 5.335 5.354 . 0 0 "[ . 1 . 2]" 1 1814 1 72 ASP HB2 1 75 LYS QD . . 4.820 4.321 4.263 4.409 . 0 0 "[ . 1 . 2]" 1 1815 1 72 ASP HB3 1 73 VAL H . . 3.880 3.012 2.985 3.047 . 0 0 "[ . 1 . 2]" 1 1816 1 72 ASP HB3 1 73 VAL HA . . 4.530 3.904 3.895 3.920 . 0 0 "[ . 1 . 2]" 1 1817 1 72 ASP HB3 1 73 VAL MG1 . . 5.500 4.562 4.551 4.579 . 0 0 "[ . 1 . 2]" 1 1818 1 72 ASP HB3 1 74 ALA H . . 5.440 5.182 5.164 5.205 . 0 0 "[ . 1 . 2]" 1 1819 1 72 ASP HB3 1 75 LYS H . . 5.500 5.191 5.165 5.227 . 0 0 "[ . 1 . 2]" 1 1820 1 72 ASP HB3 1 75 LYS QD . . 4.420 3.636 3.437 3.821 . 0 0 "[ . 1 . 2]" 1 1821 1 73 VAL H 1 73 VAL HB . . 3.130 2.653 2.639 2.666 . 0 0 "[ . 1 . 2]" 1 1822 1 73 VAL H 1 73 VAL MG1 . . 3.430 1.929 1.911 1.952 . 0 0 "[ . 1 . 2]" 1 1823 1 73 VAL H 1 74 ALA H . . 2.570 2.557 2.526 2.579 0.009 6 0 "[ . 1 . 2]" 1 1824 1 73 VAL H 1 74 ALA HA . . 5.500 5.200 5.174 5.217 . 0 0 "[ . 1 . 2]" 1 1825 1 73 VAL H 1 74 ALA MB . . 4.680 4.271 4.247 4.288 . 0 0 "[ . 1 . 2]" 1 1826 1 73 VAL H 1 75 LYS H . . 4.290 3.917 3.902 3.927 . 0 0 "[ . 1 . 2]" 1 1827 1 73 VAL H 1 75 LYS HB3 . . 5.500 4.860 4.838 4.876 . 0 0 "[ . 1 . 2]" 1 1828 1 73 VAL HA 1 73 VAL MG1 . . 3.180 3.189 3.188 3.190 0.010 16 0 "[ . 1 . 2]" 1 1829 1 73 VAL HA 1 73 VAL MG2 . . 3.690 2.398 2.393 2.402 . 0 0 "[ . 1 . 2]" 1 1830 1 73 VAL HA 1 74 ALA HA . . 5.500 4.720 4.715 4.724 . 0 0 "[ . 1 . 2]" 1 1831 1 73 VAL HA 1 74 ALA MB . . 5.500 5.011 5.009 5.012 . 0 0 "[ . 1 . 2]" 1 1832 1 73 VAL HA 1 75 LYS H . . 3.680 3.483 3.474 3.497 . 0 0 "[ . 1 . 2]" 1 1833 1 73 VAL HA 1 75 LYS HB3 . . 5.500 5.107 5.079 5.151 . 0 0 "[ . 1 . 2]" 1 1834 1 73 VAL HA 1 75 LYS QD . . 5.300 4.763 4.560 5.066 . 0 0 "[ . 1 . 2]" 1 1835 1 73 VAL HA 1 75 LYS HG2 . . 5.500 4.196 4.164 4.223 . 0 0 "[ . 1 . 2]" 1 1836 1 73 VAL HA 1 76 VAL H . . 4.340 3.681 3.671 3.701 . 0 0 "[ . 1 . 2]" 1 1837 1 73 VAL HA 1 76 VAL HB . . 5.500 5.597 5.573 5.609 0.109 8 0 "[ . 1 . 2]" 1 1838 1 73 VAL HA 1 76 VAL QG . . 3.430 3.031 3.001 3.064 . 0 0 "[ . 1 . 2]" 1 1839 1 73 VAL HA 1 77 PHE H . . 5.080 3.438 3.409 3.474 . 0 0 "[ . 1 . 2]" 1 1840 1 73 VAL HA 1 77 PHE HB2 . . 5.450 3.083 3.063 3.132 . 0 0 "[ . 1 . 2]" 1 1841 1 73 VAL HA 1 77 PHE HD1 . . 5.500 5.135 5.062 5.321 . 0 0 "[ . 1 . 2]" 1 1842 1 73 VAL HB 1 74 ALA H . . 3.310 3.976 3.970 3.984 0.674 10 20 [*********+*********-] 1 1843 1 73 VAL HB 1 74 ALA HA . . 5.490 5.627 5.625 5.629 0.139 10 0 "[ . 1 . 2]" 1 1844 1 73 VAL HB 1 74 ALA MB . . 5.500 5.267 5.258 5.273 . 0 0 "[ . 1 . 2]" 1 1845 1 73 VAL HB 1 75 LYS H . . 5.010 5.283 5.278 5.289 0.279 10 0 "[ . 1 . 2]" 1 1846 1 73 VAL HB 1 77 PHE HB3 . . 5.280 5.320 5.313 5.331 0.051 1 0 "[ . 1 . 2]" 1 1847 1 73 VAL MG1 1 74 ALA H . . 5.050 1.931 1.921 1.943 . 0 0 "[ . 1 . 2]" 1 1848 1 73 VAL MG1 1 77 PHE HB2 . . 5.500 4.247 4.224 4.282 . 0 0 "[ . 1 . 2]" 1 1849 1 73 VAL MG2 1 75 LYS H . . 5.500 4.358 4.347 4.373 . 0 0 "[ . 1 . 2]" 1 1850 1 73 VAL MG2 1 77 PHE HA . . 5.500 4.345 4.331 4.368 . 0 0 "[ . 1 . 2]" 1 1851 1 73 VAL MG2 1 77 PHE HB2 . . 4.230 2.012 1.988 2.055 . 0 0 "[ . 1 . 2]" 1 1852 1 73 VAL MG2 1 77 PHE HB3 . . 4.360 2.506 2.466 2.525 . 0 0 "[ . 1 . 2]" 1 1853 1 74 ALA H 1 74 ALA MB . . 3.390 2.231 2.226 2.240 . 0 0 "[ . 1 . 2]" 1 1854 1 74 ALA H 1 75 LYS H . . 2.690 2.641 2.632 2.647 . 0 0 "[ . 1 . 2]" 1 1855 1 74 ALA H 1 76 VAL H . . 4.630 4.474 4.458 4.481 . 0 0 "[ . 1 . 2]" 1 1856 1 74 ALA HA 1 75 LYS H . . 3.550 3.221 3.217 3.229 . 0 0 "[ . 1 . 2]" 1 1857 1 74 ALA HA 1 75 LYS HB3 . . 5.500 5.378 5.373 5.387 . 0 0 "[ . 1 . 2]" 1 1858 1 74 ALA HA 1 76 VAL H . . 4.860 4.033 4.008 4.044 . 0 0 "[ . 1 . 2]" 1 1859 1 74 ALA HA 1 77 PHE H . . 4.200 3.821 3.781 3.835 . 0 0 "[ . 1 . 2]" 1 1860 1 74 ALA HA 1 77 PHE HB2 . . 4.970 4.414 4.378 4.454 . 0 0 "[ . 1 . 2]" 1 1861 1 74 ALA HA 1 77 PHE HB3 . . 5.500 4.798 4.681 4.882 . 0 0 "[ . 1 . 2]" 1 1862 1 74 ALA MB 1 75 LYS H . . 3.920 3.359 3.348 3.365 . 0 0 "[ . 1 . 2]" 1 1863 1 74 ALA MB 1 75 LYS HB3 . . 4.830 4.380 4.364 4.388 . 0 0 "[ . 1 . 2]" 1 1864 1 74 ALA MB 1 76 VAL H . . 5.500 4.802 4.790 4.809 . 0 0 "[ . 1 . 2]" 1 1865 1 75 LYS H 1 75 LYS HB3 . . 2.980 2.382 2.369 2.405 . 0 0 "[ . 1 . 2]" 1 1866 1 75 LYS H 1 75 LYS QD . . 4.170 3.707 3.656 3.776 . 0 0 "[ . 1 . 2]" 1 1867 1 75 LYS H 1 75 LYS HG2 . . 3.250 2.768 2.741 2.786 . 0 0 "[ . 1 . 2]" 1 1868 1 75 LYS H 1 75 LYS HG3 . . 3.960 4.042 4.031 4.048 0.088 20 0 "[ . 1 . 2]" 1 1869 1 75 LYS H 1 76 VAL H . . 2.720 2.210 2.193 2.230 . 0 0 "[ . 1 . 2]" 1 1870 1 75 LYS H 1 76 VAL HA . . 4.910 4.928 4.915 4.945 0.035 2 0 "[ . 1 . 2]" 1 1871 1 75 LYS H 1 76 VAL QG . . 3.940 3.611 3.578 3.649 . 0 0 "[ . 1 . 2]" 1 1872 1 75 LYS H 1 77 PHE H . . 3.350 3.391 3.377 3.406 0.056 2 0 "[ . 1 . 2]" 1 1873 1 75 LYS H 1 77 PHE HB2 . . 5.110 4.786 4.775 4.808 . 0 0 "[ . 1 . 2]" 1 1874 1 75 LYS HA 1 75 LYS HB2 . . 2.840 2.271 2.269 2.275 . 0 0 "[ . 1 . 2]" 1 1875 1 75 LYS HA 1 75 LYS HD2 . . 5.500 4.759 4.579 4.985 . 0 0 "[ . 1 . 2]" 1 1876 1 75 LYS HA 1 75 LYS QD . . 4.830 4.336 4.279 4.446 . 0 0 "[ . 1 . 2]" 1 1877 1 75 LYS HA 1 75 LYS HD3 . . 5.500 5.094 4.659 5.469 . 0 0 "[ . 1 . 2]" 1 1878 1 75 LYS HA 1 75 LYS HG2 . . 3.740 3.678 3.667 3.684 . 0 0 "[ . 1 . 2]" 1 1879 1 75 LYS HA 1 75 LYS HG3 . . 3.870 3.607 3.592 3.632 . 0 0 "[ . 1 . 2]" 1 1880 1 75 LYS HA 1 76 VAL QG . . 5.500 4.809 4.793 4.829 . 0 0 "[ . 1 . 2]" 1 1881 1 75 LYS HB2 1 75 LYS HG3 . . 2.660 2.339 2.328 2.345 . 0 0 "[ . 1 . 2]" 1 1882 1 75 LYS HB3 1 75 LYS QD . . 2.390 2.163 2.102 2.269 . 0 0 "[ . 1 . 2]" 1 1883 1 75 LYS HB3 1 75 LYS HG2 . . 2.970 2.560 2.551 2.576 . 0 0 "[ . 1 . 2]" 1 1884 1 75 LYS QD 1 75 LYS HG3 . . 2.610 2.386 2.227 2.507 . 0 0 "[ . 1 . 2]" 1 1885 1 75 LYS HD2 1 76 VAL H . . 5.500 4.922 4.595 5.194 . 0 0 "[ . 1 . 2]" 1 1886 1 75 LYS HD3 1 76 VAL H . . 5.500 4.504 4.334 4.635 . 0 0 "[ . 1 . 2]" 1 1887 1 75 LYS QE 1 75 LYS HG3 . . 3.550 2.457 2.017 3.193 . 0 0 "[ . 1 . 2]" 1 1888 1 75 LYS QE 1 76 VAL HB . . 5.070 3.919 3.004 4.942 . 0 0 "[ . 1 . 2]" 1 1889 1 75 LYS HG2 1 76 VAL H . . 4.310 2.260 2.250 2.282 . 0 0 "[ . 1 . 2]" 1 1890 1 75 LYS HG2 1 76 VAL HA . . 5.310 3.971 3.960 3.982 . 0 0 "[ . 1 . 2]" 1 1891 1 75 LYS HG2 1 76 VAL HB . . 3.380 2.825 2.776 2.856 . 0 0 "[ . 1 . 2]" 1 1892 1 75 LYS HG2 1 76 VAL QG . . 5.500 2.684 2.651 2.718 . 0 0 "[ . 1 . 2]" 1 1893 1 75 LYS HG2 1 77 PHE H . . 4.500 3.896 3.884 3.908 . 0 0 "[ . 1 . 2]" 1 1894 1 75 LYS HG2 1 77 PHE HB2 . . 5.500 5.599 5.582 5.614 0.114 5 0 "[ . 1 . 2]" 1 1895 1 75 LYS HG3 1 76 VAL H . . 4.020 3.464 3.442 3.496 . 0 0 "[ . 1 . 2]" 1 1896 1 75 LYS HG3 1 76 VAL HA . . 5.500 3.962 3.939 4.004 . 0 0 "[ . 1 . 2]" 1 1897 1 75 LYS HG3 1 76 VAL QG . . 5.500 3.537 3.514 3.575 . 0 0 "[ . 1 . 2]" 1 1898 1 75 LYS HG3 1 77 PHE H . . 5.500 5.193 5.178 5.218 . 0 0 "[ . 1 . 2]" 1 1899 1 76 VAL H 1 76 VAL HB . . 3.200 3.110 3.078 3.134 . 0 0 "[ . 1 . 2]" 1 1900 1 76 VAL H 1 76 VAL QG . . 3.270 2.053 2.035 2.091 . 0 0 "[ . 1 . 2]" 1 1901 1 76 VAL H 1 77 PHE H . . 2.750 1.841 1.836 1.846 . 0 0 "[ . 1 . 2]" 1 1902 1 76 VAL H 1 77 PHE HB2 . . 4.000 3.897 3.880 3.918 . 0 0 "[ . 1 . 2]" 1 1903 1 76 VAL H 1 77 PHE HB3 . . 5.500 5.269 5.236 5.293 . 0 0 "[ . 1 . 2]" 1 1904 1 76 VAL H 1 77 PHE HD1 . . 4.550 4.420 4.345 4.554 0.004 15 0 "[ . 1 . 2]" 1 1905 1 76 VAL HA 1 76 VAL HB . . 2.980 2.476 2.465 2.498 . 0 0 "[ . 1 . 2]" 1 1906 1 76 VAL HA 1 76 VAL QG . . 2.600 2.246 2.230 2.261 . 0 0 "[ . 1 . 2]" 1 1907 1 76 VAL HA 1 77 PHE H . . 3.520 3.503 3.501 3.506 . 0 0 "[ . 1 . 2]" 1 1908 1 76 VAL HA 1 77 PHE HD1 . . 4.510 4.455 4.374 4.547 0.037 2 0 "[ . 1 . 2]" 1 1909 1 76 VAL HB 1 77 PHE H . . 4.120 3.961 3.927 3.975 . 0 0 "[ . 1 . 2]" 1 1910 1 76 VAL QG 1 77 PHE H . . 3.500 1.911 1.894 1.981 . 0 0 "[ . 1 . 2]" 1 1911 1 76 VAL QG 1 77 PHE HA . . 4.620 3.299 3.257 3.320 . 0 0 "[ . 1 . 2]" 1 1912 1 76 VAL QG 1 77 PHE HB2 . . 4.700 2.935 2.905 2.945 . 0 0 "[ . 1 . 2]" 1 1913 1 76 VAL QG 1 77 PHE HB3 . . 5.500 4.141 4.126 4.150 . 0 0 "[ . 1 . 2]" 1 1914 1 76 VAL QG 1 77 PHE HD1 . . 3.390 1.910 1.890 1.958 . 0 0 "[ . 1 . 2]" 1 1915 1 76 VAL QG 1 77 PHE HE1 . . 4.410 2.846 2.727 2.993 . 0 0 "[ . 1 . 2]" 1 1916 1 77 PHE H 1 77 PHE HB2 . . 3.090 2.256 2.240 2.273 . 0 0 "[ . 1 . 2]" 1 1917 1 77 PHE H 1 77 PHE HB3 . . 3.740 3.490 3.462 3.510 . 0 0 "[ . 1 . 2]" 1 1918 1 77 PHE H 1 77 PHE HD1 . . 4.100 3.044 2.987 3.138 . 0 0 "[ . 1 . 2]" 1 1919 1 77 PHE HA 1 77 PHE HD1 . . 3.520 2.338 2.196 2.385 . 0 0 "[ . 1 . 2]" 1 1920 1 77 PHE HB2 1 77 PHE HD2 . . 3.710 3.153 3.094 3.191 . 0 0 "[ . 1 . 2]" 1 1921 1 77 PHE HB3 1 77 PHE HD2 . . 3.510 2.360 2.341 2.394 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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