NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
382103 | 1jc2 | 5071 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jc2 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 780 _Distance_constraint_stats_list.Viol_count 283 _Distance_constraint_stats_list.Viol_total 220.587 _Distance_constraint_stats_list.Viol_max 0.126 _Distance_constraint_stats_list.Viol_rms 0.0037 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.0260 _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 4 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 12 LEU 0.156 0.084 13 0 "[ . 1 . 2 . 3]" 1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 17 ARG 0.021 0.021 1 0 "[ . 1 . 2 . 3]" 1 18 ILE 0.084 0.023 6 0 "[ . 1 . 2 . 3]" 1 19 PHE 0.091 0.023 6 0 "[ . 1 . 2 . 3]" 1 20 ASP 0.162 0.072 24 0 "[ . 1 . 2 . 3]" 1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 22 ASN 0.098 0.047 23 0 "[ . 1 . 2 . 3]" 1 23 ALA 0.108 0.047 23 0 "[ . 1 . 2 . 3]" 1 24 ASP 0.184 0.070 24 0 "[ . 1 . 2 . 3]" 1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 26 PHE 0.246 0.070 24 0 "[ . 1 . 2 . 3]" 1 27 ILE 0.001 0.001 29 0 "[ . 1 . 2 . 3]" 1 28 ASP 0.242 0.060 5 0 "[ . 1 . 2 . 3]" 1 29 ILE 0.316 0.060 5 0 "[ . 1 . 2 . 3]" 1 30 GLU 0.157 0.028 27 0 "[ . 1 . 2 . 3]" 1 31 GLU 0.157 0.028 27 0 "[ . 1 . 2 . 3]" 1 32 LEU 0.078 0.028 18 0 "[ . 1 . 2 . 3]" 1 33 GLY 0.011 0.011 13 0 "[ . 1 . 2 . 3]" 1 34 GLU 1.302 0.109 19 0 "[ . 1 . 2 . 3]" 1 35 ILE 1.302 0.109 19 0 "[ . 1 . 2 . 3]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 39 THR 0.002 0.002 16 0 "[ . 1 . 2 . 3]" 1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 41 GLU 0.002 0.002 16 0 "[ . 1 . 2 . 3]" 1 42 HIS 0.124 0.124 9 0 "[ . 1 . 2 . 3]" 1 43 VAL 0.136 0.124 9 0 "[ . 1 . 2 . 3]" 1 44 ILE 0.076 0.031 12 0 "[ . 1 . 2 . 3]" 1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 46 GLU 0.077 0.031 12 0 "[ . 1 . 2 . 3]" 1 47 ASP 1.954 0.126 26 0 "[ . 1 . 2 . 3]" 1 48 ILE 0.001 0.001 23 0 "[ . 1 . 2 . 3]" 1 49 GLU 1.419 0.126 26 0 "[ . 1 . 2 . 3]" 1 50 ASP 0.070 0.028 15 0 "[ . 1 . 2 . 3]" 1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 52 MET 1.033 0.079 27 0 "[ . 1 . 2 . 3]" 1 53 LYS 1.009 0.079 27 0 "[ . 1 . 2 . 3]" 1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 55 SER 0.124 0.036 26 0 "[ . 1 . 2 . 3]" 1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 59 ASN 1.029 0.058 7 0 "[ . 1 . 2 . 3]" 1 60 ASP 0.077 0.037 27 0 "[ . 1 . 2 . 3]" 1 61 GLY 0.334 0.037 15 0 "[ . 1 . 2 . 3]" 1 62 ARG 0.107 0.034 26 0 "[ . 1 . 2 . 3]" 1 63 ILE 0.001 0.001 29 0 "[ . 1 . 2 . 3]" 1 64 ASP 0.072 0.024 10 0 "[ . 1 . 2 . 3]" 1 65 PHE 0.093 0.024 10 0 "[ . 1 . 2 . 3]" 1 66 ASP 0.057 0.032 27 0 "[ . 1 . 2 . 3]" 1 67 GLU 0.039 0.016 27 0 "[ . 1 . 2 . 3]" 1 68 PHE 0.022 0.016 20 0 "[ . 1 . 2 . 3]" 1 69 LEU 0.032 0.032 27 0 "[ . 1 . 2 . 3]" 1 70 LYS 0.023 0.011 4 0 "[ . 1 . 2 . 3]" 1 71 MET 0.028 0.012 8 0 "[ . 1 . 2 . 3]" 1 72 MET 0.107 0.066 11 0 "[ . 1 . 2 . 3]" 1 73 GLU 0.042 0.028 26 0 "[ . 1 . 2 . 3]" 1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 75 VAL 0.251 0.066 11 0 "[ . 1 . 2 . 3]" 1 76 GLN 0.113 0.040 6 0 "[ . 1 . 2 . 3]" 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 4 ALA H 1 4 ALA HA 2.940 . 4.170 2.813 2.364 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 4 ALA HA 1 4 ALA MB 2.480 . 3.270 2.134 2.113 2.156 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 4 ALA HA 1 5 LYS H 2.520 . 3.350 2.566 2.217 3.260 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 5 LYS HA 1 5 LYS QB 2.670 . 3.630 2.450 2.201 2.550 . 0 0 "[ . 1 . 2 . 3]" 1 5 1 5 LYS HA 1 5 LYS QD 3.790 . 5.880 3.494 1.917 4.233 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 5 LYS HA 1 5 LYS QG 3.400 . 5.100 2.340 1.901 3.324 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 5 LYS HA 1 6 GLY H 3.190 . 4.680 2.675 2.205 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 6 GLY QA 1 7 LYS H 2.790 . 3.870 2.342 2.158 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 7 LYS H 1 7 LYS QG 3.440 . 5.170 3.191 1.853 4.230 . 0 0 "[ . 1 . 2 . 3]" 1 10 1 7 LYS HA 1 7 LYS QD 3.850 . 6.000 3.340 2.050 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 7 LYS HA 1 7 LYS QG 3.560 . 5.420 2.539 1.912 3.461 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 7 LYS QB 1 8 SER H 3.850 . 6.000 3.220 1.848 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 7 LYS QB 1 11 GLU QB 3.330 . 4.960 3.241 1.812 3.944 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 7 LYS QB 1 12 LEU QD 3.720 . 5.740 2.944 1.830 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 7 LYS QD 1 11 GLU QB 3.670 . 5.630 3.633 1.991 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 7 LYS QG 1 12 LEU QD 3.580 . 5.460 2.960 1.815 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 8 SER H 1 8 SER QB 2.890 . 4.080 2.450 1.930 3.000 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 8 SER H 1 11 GLU QB 3.550 . 5.400 2.911 1.801 4.805 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 8 SER HA 1 8 SER QB 2.660 . 3.620 2.431 2.174 2.550 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 8 SER HA 1 9 GLU H 2.790 . 3.890 2.452 2.251 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 8 SER QB 1 9 GLU H 2.630 . 3.570 2.835 2.296 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 8 SER QB 1 10 GLU H 2.420 . 3.150 2.725 2.431 2.837 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 9 GLU H 1 9 GLU HA 2.910 . 4.120 2.764 2.374 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 9 GLU H 1 9 GLU QB 2.930 . 4.160 2.125 1.941 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 9 GLU H 1 9 GLU QG 3.100 . 4.500 3.379 1.864 3.996 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 9 GLU H 1 10 GLU H 3.310 . 4.920 2.979 2.757 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 9 GLU HA 1 9 GLU QB 2.650 . 3.600 2.474 2.289 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 9 GLU HA 1 9 GLU QG 3.000 . 4.290 2.230 1.920 2.999 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 9 GLU HA 1 10 GLU H 3.350 . 5.000 3.577 3.543 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 9 GLU HA 1 12 LEU H 2.990 . 4.280 3.634 3.197 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 9 GLU HA 1 12 LEU QB 2.980 . 4.260 2.658 1.895 3.404 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 9 GLU HA 1 12 LEU QD 3.490 . 5.280 2.867 1.867 3.861 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 9 GLU HA 1 69 LEU QD 3.350 . 5.000 2.809 1.822 3.554 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 9 GLU QB 1 10 GLU H 2.930 . 4.160 2.464 2.219 2.800 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 9 GLU QB 1 69 LEU QD 3.710 . 5.710 3.263 2.274 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 9 GLU QG 1 69 LEU QD 3.120 . 4.540 2.068 1.708 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 10 GLU H 1 10 GLU HA 2.790 . 3.890 2.786 2.729 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 10 GLU H 1 10 GLU QB 2.840 . 3.980 2.094 1.945 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 10 GLU H 1 10 GLU QG 3.370 . 5.040 3.431 1.938 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 10 GLU H 1 11 GLU H 3.100 . 4.500 3.035 2.632 3.326 . 0 0 "[ . 1 . 2 . 3]" 1 41 1 10 GLU HA 1 10 GLU QG 2.770 . 3.850 2.209 1.936 2.637 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 10 GLU HA 1 11 GLU H 3.050 . 4.400 3.584 3.560 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 10 GLU HA 1 13 ALA H 3.150 . 4.590 3.864 3.377 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 10 GLU QB 1 11 GLU H 3.020 . 4.340 2.275 1.848 2.541 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 10 GLU QG 1 13 ALA MB 3.850 . 6.000 3.943 3.113 4.391 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 11 GLU H 1 11 GLU HA 2.750 . 3.810 2.817 2.781 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 11 GLU H 1 11 GLU QB 2.750 . 3.790 2.081 1.924 2.379 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 11 GLU H 1 11 GLU QG 3.240 . 4.780 3.304 2.066 3.986 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 11 GLU H 1 12 LEU H 2.460 . 3.210 2.958 2.721 3.208 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 11 GLU H 1 13 ALA H 3.790 . 5.870 4.510 4.236 4.843 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 11 GLU HA 1 11 GLU QG 3.370 . 5.040 2.303 1.929 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 11 GLU HA 1 12 LEU H 3.220 . 4.740 3.584 3.540 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 11 GLU HA 1 14 ASN H 3.000 . 4.290 3.839 3.535 4.107 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 11 GLU HA 1 14 ASN HB2 2.750 . 3.800 3.012 2.532 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 11 GLU HA 1 14 ASN HB3 3.380 . 5.060 4.367 3.763 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 11 GLU QB 1 12 LEU H 2.890 . 4.080 2.310 1.898 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 12 LEU H 1 12 LEU HA 2.830 . 3.970 2.824 2.777 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 12 LEU H 1 12 LEU QB 2.650 . 3.600 2.154 1.965 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 12 LEU H 1 12 LEU QD 3.430 . 5.160 2.597 1.771 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 12 LEU H 1 12 LEU HG 2.650 . 3.590 2.941 1.872 3.674 0.084 13 0 "[ . 1 . 2 . 3]" 1 61 1 12 LEU H 1 13 ALA H 3.060 . 4.410 2.933 2.435 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 12 LEU H 1 13 ALA MB 3.850 . 6.000 4.310 3.939 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 12 LEU HA 1 12 LEU QD 3.160 . 4.620 2.312 1.750 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 12 LEU HA 1 12 LEU HG 3.060 . 4.420 2.667 1.942 3.618 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 12 LEU HA 1 15 CYS H 2.960 . 4.220 3.502 3.192 3.864 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 12 LEU HA 1 15 CYS HB2 2.950 . 4.200 2.811 2.113 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 12 LEU QB 1 13 ALA H 3.750 . 5.800 2.348 2.097 2.761 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 12 LEU QB 1 69 LEU QD 2.890 . 4.080 2.288 1.766 2.706 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 12 LEU QD 1 15 CYS HB2 3.850 . 6.000 3.882 2.873 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 12 LEU QD 1 69 LEU HA 3.460 . 5.220 2.869 1.857 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 12 LEU QD 1 72 MET H 3.790 . 5.880 3.960 3.275 4.323 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 12 LEU QD 1 72 MET QB 2.540 . 3.380 2.002 1.688 2.244 0.012 21 0 "[ . 1 . 2 . 3]" 1 73 1 13 ALA H 1 13 ALA HA 2.610 . 3.520 2.774 2.746 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 13 ALA H 1 13 ALA MB 3.160 . 4.620 2.038 1.935 2.174 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 13 ALA H 1 14 ASN H 3.560 . 5.410 3.012 2.830 3.199 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 13 ALA HA 1 13 ALA MB 2.420 . 3.140 2.133 2.113 2.157 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 13 ALA HA 1 14 ASN H 3.020 . 4.340 3.580 3.547 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 13 ALA HA 1 16 PHE H 3.040 . 4.370 3.601 3.145 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 13 ALA HA 1 16 PHE QB 2.690 . 3.680 2.856 2.190 3.283 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 13 ALA MB 1 14 ASN H 3.520 . 5.330 2.364 2.052 2.601 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 13 ALA MB 1 16 PHE H 3.850 . 6.000 4.497 4.239 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 13 ALA MB 1 69 LEU QD 3.850 . 6.000 3.349 2.056 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 14 ASN H 1 14 ASN HA 3.000 . 4.300 2.827 2.785 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 14 ASN H 1 14 ASN HB2 2.740 . 3.780 2.103 1.941 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 14 ASN H 1 14 ASN HB3 3.010 . 4.320 3.419 3.193 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 14 ASN H 1 15 CYS H 3.010 . 4.320 2.845 2.574 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 14 ASN H 1 16 PHE H 3.350 . 5.000 4.082 3.891 4.341 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 14 ASN HA 1 17 ARG H 3.380 . 5.060 4.099 3.694 4.574 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 14 ASN HB2 1 15 CYS H 2.540 . 3.370 2.715 2.371 3.120 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 14 ASN HB3 1 15 CYS H 2.630 . 3.560 3.086 2.530 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 15 CYS H 1 15 CYS HA 2.840 . 3.980 2.836 2.763 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 15 CYS H 1 15 CYS HB2 2.660 . 3.620 2.139 1.940 2.552 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 15 CYS H 1 15 CYS HB3 2.920 . 4.140 3.246 2.495 3.541 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 15 CYS H 1 16 PHE H 2.610 . 3.520 2.734 2.500 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 15 CYS HA 1 15 CYS HB2 2.750 . 3.790 2.879 2.493 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 15 CYS HA 1 15 CYS HB3 2.680 . 3.660 2.771 2.458 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 15 CYS HA 1 18 ILE H 3.120 . 4.540 3.243 3.055 3.423 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 15 CYS HA 1 18 ILE HB 3.080 . 4.460 2.514 2.055 3.185 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 15 CYS HA 1 18 ILE MD 3.480 . 5.250 3.636 1.859 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 15 CYS HA 1 18 ILE QG 2.850 . 4.000 2.569 1.924 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 15 CYS HA 1 18 ILE MG 3.330 . 4.960 3.680 3.180 4.101 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 15 CYS HB2 1 16 PHE H 2.940 . 4.170 3.297 2.655 4.068 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 15 CYS HB3 1 16 PHE H 3.080 . 4.460 3.437 2.761 4.122 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 16 PHE H 1 16 PHE HA 2.760 . 3.820 2.794 2.753 2.849 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 16 PHE H 1 16 PHE QB 2.730 . 3.750 2.141 1.994 2.200 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 16 PHE H 1 17 ARG H 2.660 . 3.620 3.048 2.870 3.248 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 16 PHE HA 1 16 PHE QB 2.670 . 3.630 2.394 2.305 2.503 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 16 PHE HA 1 19 PHE H 2.960 . 4.220 3.720 3.439 4.050 . 0 0 "[ . 1 . 2 . 3]" 1 109 1 16 PHE HA 1 19 PHE HB2 2.880 . 4.050 3.154 2.558 3.692 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 16 PHE HA 1 27 ILE MD 3.350 . 5.000 3.346 2.514 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 16 PHE QB 1 17 ARG H 2.960 . 4.220 2.156 1.952 2.496 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 17 ARG H 1 17 ARG HA 2.710 . 3.710 2.835 2.770 2.901 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 17 ARG H 1 17 ARG QB 2.610 . 3.520 2.122 1.931 2.595 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 17 ARG H 1 17 ARG QG 2.890 . 4.080 2.784 1.847 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 17 ARG H 1 18 ILE H 2.690 . 3.690 2.761 2.589 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 17 ARG HA 1 17 ARG QG 2.900 . 4.100 2.449 1.953 3.327 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 17 ARG HA 1 18 ILE H 3.290 . 4.880 3.551 3.498 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 17 ARG HA 1 20 ASP H 2.870 . 4.040 3.500 3.090 3.999 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 17 ARG HA 1 20 ASP HB3 2.370 . 3.040 2.845 2.214 3.061 0.021 1 0 "[ . 1 . 2 . 3]" 1 120 1 17 ARG QB 1 18 ILE H 3.080 . 4.460 2.852 2.523 3.526 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 18 ILE H 1 18 ILE HA 2.690 . 3.690 2.851 2.828 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 18 ILE H 1 18 ILE HB 2.500 . 3.290 2.329 2.085 2.554 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 18 ILE H 1 18 ILE MD 3.550 . 5.400 2.846 1.843 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 18 ILE H 1 18 ILE QG 2.720 . 3.740 2.298 1.847 3.330 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 18 ILE H 1 18 ILE MG 3.060 . 4.410 3.676 3.589 3.701 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 18 ILE H 1 19 PHE H 2.270 . 2.830 2.759 2.638 2.853 0.023 6 0 "[ . 1 . 2 . 3]" 1 127 1 18 ILE HA 1 18 ILE HB 2.810 . 3.920 3.027 2.990 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 18 ILE HA 1 18 ILE MD 2.620 . 3.540 2.092 1.814 2.960 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 18 ILE HA 1 18 ILE QG 2.950 . 4.200 2.734 2.060 3.114 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 18 ILE HA 1 18 ILE MG 2.690 . 3.690 2.432 2.163 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 18 ILE HA 1 19 PHE H 2.840 . 3.980 3.566 3.512 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 18 ILE HB 1 18 ILE MD 3.020 . 4.330 2.972 2.064 3.199 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 18 ILE HB 1 19 PHE H 2.550 . 3.400 2.552 2.098 2.892 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 18 ILE QG 1 18 ILE MG 2.810 . 3.920 2.218 2.011 2.366 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 18 ILE MG 1 19 PHE H 3.080 . 4.460 3.251 2.696 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 19 PHE H 1 19 PHE HA 2.940 . 4.170 2.896 2.805 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 19 PHE H 1 19 PHE HB2 2.740 . 3.780 2.098 1.966 2.403 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 19 PHE H 1 19 PHE HB3 2.870 . 4.040 3.426 3.315 3.547 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 19 PHE H 1 20 ASP H 2.290 . 2.880 2.624 2.367 2.826 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 19 PHE HA 1 19 PHE HB2 2.820 . 3.940 2.984 2.928 3.039 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 19 PHE HA 1 19 PHE HB3 2.670 . 3.650 2.676 2.486 2.786 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 19 PHE HA 1 21 LYS QE 3.370 . 5.040 3.941 3.115 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 19 PHE HB2 1 20 ASP H 2.600 . 3.500 2.754 2.396 3.433 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 19 PHE HB2 1 27 ILE MD 3.080 . 4.460 2.964 2.011 3.715 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 19 PHE HB2 1 27 ILE MG 3.850 . 6.000 4.455 3.173 5.004 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 19 PHE HB2 1 35 ILE MD 3.580 . 5.460 4.212 3.675 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 19 PHE HB3 1 20 ASP H 2.730 . 3.760 3.245 2.527 3.767 0.007 22 0 "[ . 1 . 2 . 3]" 1 148 1 19 PHE HB3 1 27 ILE MD 3.080 . 4.460 2.791 1.738 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 19 PHE HB3 1 27 ILE MG 3.650 . 5.600 3.173 2.026 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 19 PHE HB3 1 35 ILE MD 2.810 . 3.920 2.936 2.346 3.285 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 20 ASP H 1 20 ASP HA 2.810 . 3.930 2.901 2.758 2.965 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 20 ASP H 1 20 ASP HB2 2.290 . 2.870 2.300 2.118 2.651 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 20 ASP H 1 20 ASP HB3 2.220 . 2.740 2.642 2.331 2.812 0.072 24 0 "[ . 1 . 2 . 3]" 1 154 1 20 ASP HA 1 20 ASP HB2 2.670 . 3.650 2.589 2.450 2.705 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 20 ASP HA 1 20 ASP HB3 2.830 . 3.970 3.018 2.976 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 20 ASP HA 1 21 LYS H 2.580 . 3.460 2.340 2.205 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 21 LYS H 1 21 LYS HA 2.710 . 3.730 2.917 2.774 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 21 LYS H 1 21 LYS QB 2.810 . 3.930 2.165 1.923 2.447 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 21 LYS H 1 21 LYS QD 3.850 . 6.000 3.738 2.388 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 160 1 21 LYS H 1 21 LYS QG 3.080 . 4.460 3.083 1.910 3.968 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 21 LYS H 1 22 ASN H 2.880 . 4.060 2.505 1.934 3.185 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 21 LYS H 1 31 GLU QG 3.290 . 4.870 3.990 3.208 4.340 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 21 LYS HA 1 21 LYS QD 3.190 . 4.670 3.129 1.871 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 21 LYS HA 1 21 LYS QG 2.980 . 4.260 2.288 1.930 3.027 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 21 LYS HA 1 22 ASN H 3.040 . 4.380 3.463 2.917 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 21 LYS QB 1 21 LYS QE 3.820 . 5.940 3.119 1.815 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 21 LYS QB 1 22 ASN H 3.020 . 4.340 2.896 2.343 3.828 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 21 LYS QB 1 22 ASN QB 3.520 . 5.330 3.979 3.477 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 21 LYS QE 1 21 LYS QG 3.260 . 4.820 2.145 1.905 2.614 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 21 LYS QG 1 22 ASN H 3.430 . 5.160 4.310 3.720 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 22 ASN H 1 22 ASN QB 3.040 . 4.380 2.427 1.933 2.849 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 22 ASN H 1 23 ALA HA 3.430 . 5.160 4.802 4.219 5.207 0.047 23 0 "[ . 1 . 2 . 3]" 1 173 1 22 ASN H 1 24 ASP H 3.350 . 5.000 4.309 3.419 5.013 0.013 21 0 "[ . 1 . 2 . 3]" 1 174 1 22 ASN QB 1 23 ALA H 3.060 . 4.420 3.095 1.894 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 23 ALA H 1 23 ALA HA 2.440 . 3.180 2.581 2.362 3.003 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 23 ALA H 1 23 ALA MB 2.950 . 4.200 2.557 1.980 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 23 ALA H 1 24 ASP H 3.050 . 4.400 3.054 1.823 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 23 ALA H 1 25 GLY H 3.850 . 6.000 4.890 3.586 5.942 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 23 ALA HA 1 23 ALA MB 2.420 . 3.130 2.129 2.112 2.156 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 23 ALA HA 1 24 ASP H 2.620 . 3.540 2.748 2.307 3.558 0.018 11 0 "[ . 1 . 2 . 3]" 1 181 1 23 ALA HA 1 25 GLY H 3.000 . 4.300 3.551 3.202 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 23 ALA MB 1 24 ASP H 3.250 . 4.790 3.605 2.543 3.741 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 23 ALA MB 1 25 GLY H 3.850 . 6.000 4.434 2.203 5.045 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 24 ASP H 1 24 ASP HA 2.770 . 3.840 2.928 2.362 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 24 ASP H 1 24 ASP QB 2.600 . 3.500 2.663 2.062 3.217 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 24 ASP H 1 25 GLY H 2.840 . 3.980 2.230 1.827 2.826 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 24 ASP H 1 26 PHE H 2.880 . 4.050 3.782 3.274 4.120 0.070 24 0 "[ . 1 . 2 . 3]" 1 188 1 25 GLY H 1 26 PHE H 2.850 . 4.000 2.440 1.807 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 25 GLY QA 1 26 PHE H 2.710 . 3.710 2.901 2.760 2.939 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 26 PHE H 1 26 PHE HA 2.830 . 3.970 2.969 2.960 2.987 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 26 PHE H 1 26 PHE HB2 2.620 . 3.540 2.827 2.572 2.969 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 26 PHE H 1 26 PHE HB3 2.820 . 3.940 3.886 3.738 3.944 0.004 12 0 "[ . 1 . 2 . 3]" 1 193 1 26 PHE HA 1 26 PHE HB2 2.810 . 3.910 3.030 3.004 3.039 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 26 PHE HA 1 26 PHE HB3 2.700 . 3.700 2.460 2.365 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 26 PHE HA 1 27 ILE H 2.750 . 3.790 2.229 2.201 2.297 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 26 PHE HA 1 64 ASP HA 2.810 . 3.920 3.285 2.710 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 26 PHE HB2 1 27 ILE H 3.680 . 5.660 4.190 3.944 4.516 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 26 PHE HB2 1 62 ARG HB2 3.120 . 4.540 4.392 3.892 4.574 0.034 26 0 "[ . 1 . 2 . 3]" 1 199 1 26 PHE HB2 1 62 ARG HB3 2.990 . 4.280 3.330 2.579 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 26 PHE HB2 1 62 ARG QD 2.690 . 3.680 2.328 1.763 3.244 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 26 PHE HB3 1 27 ILE H 3.160 . 4.620 3.434 3.048 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 26 PHE HB3 1 62 ARG HB2 2.950 . 4.200 3.483 2.735 4.209 0.009 3 0 "[ . 1 . 2 . 3]" 1 203 1 26 PHE HB3 1 62 ARG HB3 2.810 . 3.930 2.238 1.866 3.083 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 26 PHE HB3 1 62 ARG QD 2.600 . 3.500 2.666 1.963 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 26 PHE HB3 1 62 ARG QG 3.850 . 6.000 3.636 2.302 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 27 ILE H 1 27 ILE HB 2.950 . 4.200 2.395 2.219 2.588 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 27 ILE H 1 27 ILE MD 3.850 . 6.000 2.819 1.871 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 27 ILE H 1 27 ILE QG 3.250 . 4.790 2.292 1.862 3.187 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 27 ILE H 1 27 ILE MG 3.850 . 6.000 3.715 3.667 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 27 ILE H 1 63 ILE H 3.640 . 5.580 3.559 2.773 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 27 ILE H 1 63 ILE HB 2.960 . 4.210 3.623 2.934 4.211 0.001 29 0 "[ . 1 . 2 . 3]" 1 212 1 27 ILE HA 1 27 ILE QG 3.410 . 5.120 2.416 2.181 2.543 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 27 ILE HA 1 27 ILE MG 3.320 . 4.940 2.329 2.134 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 27 ILE HA 1 28 ASP H 2.730 . 3.770 2.225 2.207 2.308 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 27 ILE HB 1 27 ILE MD 2.750 . 3.810 2.117 1.886 2.395 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 27 ILE HB 1 63 ILE HB 2.350 . 3.000 2.333 1.862 2.793 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 27 ILE MD 1 63 ILE HB 3.040 . 4.370 3.270 2.854 3.649 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 27 ILE MD 1 63 ILE MD 3.850 . 6.000 3.848 3.484 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 27 ILE MD 1 63 ILE MG 3.750 . 5.790 2.534 2.061 3.173 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 27 ILE MG 1 28 ASP H 3.200 . 4.700 2.743 2.089 3.157 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 27 ILE MG 1 31 GLU QB 3.250 . 4.790 2.156 1.736 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 28 ASP H 1 28 ASP HB3 2.920 . 4.140 2.829 2.520 3.090 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 28 ASP H 1 31 GLU QB 2.520 . 3.350 2.556 2.106 2.954 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 28 ASP H 1 31 GLU QG 2.860 . 4.020 3.218 2.355 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 28 ASP HA 1 28 ASP HB2 2.690 . 3.690 2.512 2.400 2.583 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 28 ASP HA 1 28 ASP HB3 2.720 . 3.740 2.442 2.375 2.560 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 28 ASP HA 1 29 ILE H 2.870 . 4.040 2.661 2.484 2.903 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 28 ASP HA 1 52 MET ME 3.370 . 5.040 2.571 1.858 3.328 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 28 ASP HA 1 62 ARG QG 3.610 . 5.520 2.530 1.874 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 28 ASP HB2 1 29 ILE H 2.460 . 3.230 2.181 1.903 2.429 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 28 ASP HB2 1 29 ILE MG 3.850 . 6.000 3.070 2.716 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 28 ASP HB2 1 30 GLU H 3.500 . 5.300 3.118 2.810 3.547 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 28 ASP HB3 1 29 ILE H 2.690 . 3.670 3.630 3.426 3.730 0.060 5 0 "[ . 1 . 2 . 3]" 1 234 1 29 ILE H 1 29 ILE HA 2.770 . 3.840 2.877 2.813 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 29 ILE H 1 29 ILE HB 2.610 . 3.520 2.346 2.064 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 29 ILE H 1 29 ILE MD 3.850 . 6.000 3.968 3.608 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 29 ILE H 1 29 ILE QG 3.620 . 5.540 3.954 3.874 4.018 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 29 ILE H 1 29 ILE MG 2.640 . 3.580 2.084 1.826 2.692 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 29 ILE H 1 30 GLU H 2.650 . 3.600 2.661 2.467 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 29 ILE H 1 52 MET ME 3.100 . 4.500 3.156 2.023 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 29 ILE HA 1 29 ILE HB 2.650 . 3.600 2.536 2.451 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 29 ILE HA 1 29 ILE MD 2.880 . 4.050 2.874 2.132 3.401 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 29 ILE HA 1 29 ILE QG 2.830 . 3.970 2.339 2.010 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 29 ILE HA 1 29 ILE MG 3.130 . 4.560 3.190 3.140 3.204 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 29 ILE HA 1 30 GLU H 3.230 . 4.750 3.567 3.532 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 29 ILE HA 1 32 LEU H 3.100 . 4.500 3.513 3.207 3.752 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 29 ILE HA 1 32 LEU HB3 2.750 . 3.810 3.648 3.306 3.838 0.028 18 0 "[ . 1 . 2 . 3]" 1 248 1 29 ILE HA 1 33 GLY H 3.660 . 5.620 4.571 4.170 5.631 0.011 13 0 "[ . 1 . 2 . 3]" 1 249 1 29 ILE HA 1 48 ILE MG 3.080 . 4.460 3.261 2.873 3.535 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 29 ILE HA 1 52 MET ME 2.840 . 3.980 2.966 2.368 3.319 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 29 ILE HB 1 29 ILE MD 2.640 . 3.580 2.055 1.885 2.231 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 29 ILE HB 1 29 ILE QG 2.670 . 3.630 2.524 2.467 2.549 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 29 ILE HB 1 29 ILE MG 2.420 . 3.140 2.148 2.134 2.151 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 29 ILE HB 1 30 GLU H 3.220 . 4.740 3.752 3.536 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 29 ILE MD 1 49 GLU H 3.850 . 6.000 3.468 2.660 4.188 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 29 ILE MD 1 49 GLU HA 2.840 . 3.980 2.028 1.728 2.436 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 29 ILE MD 1 49 GLU QG 3.100 . 4.500 2.285 1.725 3.187 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 29 ILE MD 1 52 MET H 3.850 . 6.000 3.851 3.179 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 29 ILE MD 1 52 MET HB2 2.990 . 4.280 2.774 1.932 3.542 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 29 ILE MD 1 52 MET HB3 3.200 . 4.700 2.885 2.385 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 29 ILE MD 1 52 MET QG 3.250 . 4.790 3.260 2.595 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 29 ILE QG 1 29 ILE MG 2.810 . 3.910 2.074 1.972 2.119 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 29 ILE QG 1 32 LEU HB3 3.100 . 4.500 3.843 3.405 4.033 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 29 ILE QG 1 49 GLU QG 3.830 . 5.960 3.674 2.855 4.755 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 29 ILE MG 1 30 GLU H 2.690 . 3.670 1.828 1.749 2.041 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 29 ILE MG 1 30 GLU HA 3.290 . 4.870 3.007 2.881 3.255 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 29 ILE MG 1 30 GLU QG 3.170 . 4.630 2.783 2.014 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 29 ILE MG 1 31 GLU H 3.850 . 6.000 4.244 3.969 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 30 GLU H 1 30 GLU HA 2.730 . 3.750 2.821 2.792 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 30 GLU H 1 30 GLU QB 3.080 . 4.460 2.121 1.922 2.579 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 30 GLU H 1 30 GLU QG 2.930 . 4.160 2.766 1.915 3.526 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 30 GLU H 1 31 GLU H 2.330 . 2.960 2.912 2.773 2.988 0.028 27 0 "[ . 1 . 2 . 3]" 1 273 1 30 GLU HA 1 30 GLU QG 2.890 . 4.080 2.269 1.929 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 30 GLU HA 1 31 GLU H 3.120 . 4.540 3.583 3.514 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 30 GLU QB 1 31 GLU H 3.410 . 5.120 2.441 2.066 3.527 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 31 GLU H 1 31 GLU HA 2.740 . 3.780 2.823 2.757 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 31 GLU H 1 31 GLU QB 2.680 . 3.660 2.148 1.958 2.377 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 31 GLU H 1 31 GLU QG 2.690 . 3.690 2.534 2.007 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 31 GLU HA 1 31 GLU QG 2.810 . 3.930 2.159 1.939 2.363 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 31 GLU QB 1 32 LEU H 3.480 . 5.260 2.492 2.157 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 32 LEU H 1 32 LEU HA 2.830 . 3.960 2.820 2.733 2.894 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 32 LEU H 1 32 LEU HB2 3.060 . 4.420 1.952 1.926 2.024 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 32 LEU H 1 32 LEU HB3 3.120 . 4.540 3.182 2.973 3.306 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 32 LEU H 1 32 LEU QD 3.730 . 5.760 2.992 2.533 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 32 LEU H 1 32 LEU HG 3.850 . 6.000 4.010 3.377 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 32 LEU H 1 33 GLY H 3.750 . 5.800 2.876 2.708 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 32 LEU H 1 35 ILE MD 3.850 . 6.000 3.648 2.936 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 32 LEU HA 1 32 LEU HB2 2.670 . 3.630 2.830 2.711 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 32 LEU HA 1 32 LEU QD 2.980 . 4.260 2.060 1.692 2.691 0.008 6 0 "[ . 1 . 2 . 3]" 1 290 1 32 LEU HA 1 32 LEU HG 2.910 . 4.120 2.651 2.009 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 32 LEU HA 1 35 ILE H 3.260 . 4.820 3.952 3.617 4.355 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 32 LEU HA 1 35 ILE HB 2.760 . 3.820 2.518 2.078 3.364 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 32 LEU HA 1 35 ILE MD 2.830 . 3.960 2.432 1.898 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 32 LEU HA 1 35 ILE MG 3.750 . 5.790 3.393 2.916 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 32 LEU HB2 1 32 LEU QD 2.810 . 3.910 2.156 1.943 2.338 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 32 LEU HB2 1 33 GLY H 3.850 . 6.000 3.207 2.956 3.506 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 32 LEU HB2 1 48 ILE MG 2.600 . 3.500 2.918 2.787 2.967 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 32 LEU HB3 1 32 LEU QD 2.870 . 4.040 2.201 2.028 2.361 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 32 LEU HB3 1 32 LEU HG 2.670 . 3.630 2.668 2.400 3.034 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 32 LEU HB3 1 33 GLY H 3.330 . 4.950 2.797 1.960 3.159 . 0 0 "[ . 1 . 2 . 3]" 1 301 1 32 LEU QD 1 35 ILE MG 3.850 . 6.000 3.274 2.415 3.717 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 32 LEU QD 1 52 MET ME 3.850 . 6.000 2.964 2.165 3.707 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 32 LEU QD 1 71 MET ME 3.590 . 5.480 3.190 2.646 3.401 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 33 GLY H 1 34 GLU H 3.370 . 5.040 3.197 2.735 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 33 GLY H 1 48 ILE MD 3.850 . 6.000 3.288 2.366 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 33 GLY H 1 48 ILE MG 3.040 . 4.380 3.093 2.633 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 33 GLY QA 1 34 GLU H 2.830 . 3.970 2.416 2.313 2.716 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 33 GLY QA 1 36 LEU H 3.530 . 5.360 3.734 3.394 4.059 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 33 GLY QA 1 36 LEU QD 3.850 . 6.000 3.446 2.250 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 33 GLY QA 1 48 ILE MD 2.600 . 3.500 1.869 1.726 2.138 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 33 GLY QA 1 48 ILE MG 2.950 . 4.200 2.997 2.663 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 34 GLU H 1 34 GLU HA 2.780 . 3.860 2.776 2.748 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 34 GLU H 1 34 GLU HB2 2.820 . 3.940 3.541 3.516 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 34 GLU H 1 34 GLU HB3 2.790 . 3.890 2.417 2.242 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 34 GLU H 1 34 GLU QG 3.160 . 4.620 2.041 1.819 2.358 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 34 GLU HA 1 37 ARG H 3.310 . 4.920 3.686 3.324 4.350 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 34 GLU HA 1 37 ARG QD 3.520 . 5.340 3.533 1.862 4.761 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 34 GLU HB2 1 35 ILE H 2.650 . 3.610 3.473 3.009 3.683 0.073 4 0 "[ . 1 . 2 . 3]" 1 319 1 34 GLU HB3 1 35 ILE H 2.730 . 3.760 3.794 3.693 3.869 0.109 19 0 "[ . 1 . 2 . 3]" 1 320 1 35 ILE H 1 35 ILE HA 2.650 . 3.590 2.798 2.750 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 35 ILE H 1 35 ILE HB 2.400 . 3.100 2.271 2.160 2.384 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 35 ILE H 1 35 ILE MD 3.330 . 4.960 3.420 2.200 3.702 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 35 ILE H 1 35 ILE QG 2.650 . 3.590 2.266 2.005 2.780 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 35 ILE H 1 35 ILE MG 3.520 . 5.330 3.683 3.641 3.710 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 35 ILE HA 1 35 ILE HB 2.710 . 3.710 3.018 2.998 3.033 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 35 ILE HA 1 35 ILE MD 3.100 . 4.500 3.741 3.530 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 35 ILE HA 1 35 ILE QG 2.870 . 4.040 2.260 2.122 2.356 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 35 ILE HA 1 35 ILE MG 2.940 . 4.170 2.529 2.390 2.651 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 35 ILE HA 1 36 LEU H 3.300 . 4.900 3.590 3.575 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 35 ILE HA 1 38 ALA H 3.050 . 4.400 3.948 3.704 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 35 ILE HA 1 38 ALA MB 2.750 . 3.810 2.936 2.611 3.179 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 35 ILE HB 1 35 ILE MD 2.680 . 3.660 2.284 2.027 2.434 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 35 ILE QG 1 35 ILE MG 3.170 . 4.630 2.276 1.964 2.391 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 35 ILE MG 1 36 LEU H 3.540 . 5.380 2.695 2.199 3.199 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 35 ILE MG 1 36 LEU HA 3.790 . 5.880 3.123 2.897 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 35 ILE MG 1 36 LEU QD 3.590 . 5.480 3.015 2.156 3.392 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 35 ILE MG 1 36 LEU HG 3.850 . 6.000 2.702 2.059 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 35 ILE MG 1 39 THR MG 3.850 . 6.000 3.911 3.311 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 36 LEU H 1 36 LEU HA 2.730 . 3.750 2.879 2.787 2.921 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 36 LEU H 1 36 LEU HB2 2.500 . 3.300 2.178 1.985 2.433 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 36 LEU H 1 36 LEU HB3 2.720 . 3.740 3.473 3.359 3.537 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 36 LEU H 1 36 LEU QD 3.730 . 5.760 3.018 1.816 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 36 LEU H 1 36 LEU HG 2.530 . 3.360 2.593 1.920 3.335 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 36 LEU H 1 37 ARG H 2.580 . 3.460 2.743 2.537 3.029 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 36 LEU HA 1 36 LEU HB2 2.710 . 3.710 3.009 2.945 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 36 LEU HA 1 36 LEU HB3 2.670 . 3.650 2.613 2.453 2.760 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 36 LEU HA 1 36 LEU QD 3.260 . 4.820 2.186 1.797 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 36 LEU HA 1 36 LEU HG 2.710 . 3.710 2.585 2.008 3.087 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 36 LEU HA 1 37 ARG H 3.230 . 4.760 3.584 3.559 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 36 LEU HA 1 39 THR H 3.080 . 4.460 3.689 3.475 3.931 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 36 LEU HA 1 39 THR MG 2.460 . 3.220 2.500 2.186 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 36 LEU HA 1 43 VAL QG 3.850 . 6.000 3.957 3.327 4.268 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 36 LEU HB2 1 37 ARG H 2.970 . 4.240 2.483 2.205 2.821 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 36 LEU HB3 1 36 LEU QD 3.080 . 4.460 2.039 1.890 2.134 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 36 LEU HB3 1 36 LEU HG 2.690 . 3.690 2.995 2.727 3.034 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 36 LEU HB3 1 37 ARG H 3.030 . 4.360 3.173 2.662 3.765 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 36 LEU HB3 1 43 VAL QG 3.150 . 4.590 2.116 1.756 2.486 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 36 LEU QD 1 48 ILE HA 3.460 . 5.220 3.383 2.841 3.873 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 37 ARG H 1 37 ARG HA 2.860 . 4.020 2.812 2.787 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 37 ARG H 1 37 ARG QB 3.370 . 5.040 2.155 1.922 2.580 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 37 ARG H 1 37 ARG QG 2.950 . 4.200 2.649 1.937 3.632 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 37 ARG H 1 38 ALA H 2.500 . 3.290 2.822 2.683 2.905 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 37 ARG H 1 38 ALA MB 3.830 . 5.960 4.299 4.104 4.412 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 37 ARG HA 1 37 ARG QD 3.470 . 5.240 3.695 2.702 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 37 ARG HA 1 37 ARG QG 2.810 . 3.920 2.171 1.911 3.273 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 37 ARG HA 1 38 ALA H 2.910 . 4.120 3.554 3.503 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 37 ARG HA 1 43 VAL QG 3.700 . 5.700 3.671 2.667 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 37 ARG QB 1 38 ALA H 3.060 . 4.420 2.670 2.481 3.509 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 37 ARG QG 1 43 VAL QG 3.850 . 6.000 3.705 3.199 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 38 ALA H 1 38 ALA HA 2.580 . 3.460 2.802 2.783 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 38 ALA H 1 38 ALA MB 2.400 . 3.110 2.042 1.916 2.163 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 38 ALA H 1 39 THR MG 3.520 . 5.340 3.954 3.636 4.164 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 38 ALA HA 1 38 ALA MB 2.420 . 3.150 2.137 2.114 2.156 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 38 ALA HA 1 39 THR H 3.080 . 4.460 3.558 3.474 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 38 ALA MB 1 39 THR H 3.020 . 4.340 2.538 2.067 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 38 ALA MB 1 39 THR HA 3.850 . 6.000 3.821 3.718 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 39 THR H 1 39 THR HA 2.950 . 4.200 2.869 2.812 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 39 THR H 1 39 THR MG 2.540 . 3.390 1.971 1.827 2.182 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 39 THR H 1 40 GLY H 3.450 . 5.200 2.932 2.474 4.515 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 39 THR HA 1 39 THR HB 2.650 . 3.600 2.434 2.387 2.475 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 39 THR HA 1 39 THR MG 2.740 . 3.780 2.492 2.274 3.186 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 39 THR HB 1 41 GLU H 3.330 . 4.960 4.289 3.461 4.962 0.002 16 0 "[ . 1 . 2 . 3]" 1 383 1 39 THR HB 1 41 GLU QG 3.230 . 4.760 3.756 2.722 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 40 GLY QA 1 41 GLU H 3.850 . 6.000 2.801 2.570 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 41 GLU H 1 41 GLU HA 2.930 . 4.160 2.954 2.776 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 41 GLU H 1 41 GLU HB2 3.040 . 4.380 2.277 2.017 2.836 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 41 GLU H 1 41 GLU HB3 3.330 . 4.950 3.505 3.244 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 41 GLU H 1 41 GLU QG 3.680 . 5.660 2.943 2.038 3.970 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 41 GLU HA 1 41 GLU HB2 2.770 . 3.840 2.992 2.892 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 41 GLU HA 1 41 GLU HB3 2.670 . 3.630 2.634 2.378 2.828 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 41 GLU HA 1 41 GLU QG 3.280 . 4.860 2.324 1.921 2.739 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 41 GLU HB2 1 43 VAL QG 3.140 . 4.580 2.741 2.181 3.376 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 41 GLU HB3 1 43 VAL QG 3.390 . 5.080 2.441 1.778 3.218 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 41 GLU QG 1 43 VAL QG 3.850 . 6.000 3.814 3.263 3.983 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 42 HIS HA 1 43 VAL H 2.540 . 3.370 2.583 2.221 3.494 0.124 9 0 "[ . 1 . 2 . 3]" 1 396 1 43 VAL H 1 43 VAL HB 3.210 . 4.720 2.585 2.314 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 43 VAL H 1 43 VAL QG 3.660 . 5.620 2.075 1.828 2.518 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 43 VAL HA 1 43 VAL HB 2.670 . 3.650 3.030 3.017 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 43 VAL HA 1 43 VAL QG 3.080 . 4.460 2.071 1.990 2.147 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 43 VAL HA 1 44 ILE H 2.650 . 3.600 2.313 2.210 2.513 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 43 VAL HB 1 44 ILE H 3.090 . 4.480 3.936 3.428 4.491 0.011 26 0 "[ . 1 . 2 . 3]" 1 402 1 43 VAL HB 1 48 ILE MD 2.670 . 3.640 2.889 2.417 3.062 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 43 VAL QG 1 44 ILE H 3.500 . 5.290 2.393 1.896 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 43 VAL QG 1 47 ASP H 3.850 . 6.000 3.869 3.444 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 43 VAL QG 1 47 ASP HB2 3.370 . 5.040 2.812 2.204 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 43 VAL QG 1 47 ASP HB3 2.970 . 4.240 2.386 1.833 2.976 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 43 VAL QG 1 48 ILE H 3.850 . 6.000 3.051 2.649 3.344 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 43 VAL QG 1 48 ILE QG 3.210 . 4.710 1.961 1.699 2.522 0.001 23 0 "[ . 1 . 2 . 3]" 1 409 1 44 ILE H 1 44 ILE HB 3.250 . 4.790 3.648 3.526 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 44 ILE H 1 44 ILE MD 3.220 . 4.740 3.598 3.268 3.928 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 44 ILE H 1 44 ILE QG 2.870 . 4.040 1.922 1.801 2.265 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 44 ILE H 1 44 ILE MG 2.810 . 3.920 2.540 1.858 3.100 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 44 ILE H 1 47 ASP H 3.230 . 4.760 3.790 3.311 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 44 ILE H 1 47 ASP HB2 3.170 . 4.640 2.851 2.073 3.838 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 44 ILE H 1 47 ASP HB3 3.850 . 6.000 3.827 3.005 5.063 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 44 ILE HA 1 45 GLU H 2.580 . 3.460 2.317 2.232 2.400 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 44 ILE HA 1 46 GLU H 3.130 . 4.560 4.405 4.058 4.580 0.020 5 0 "[ . 1 . 2 . 3]" 1 418 1 44 ILE HB 1 44 ILE MD 2.620 . 3.540 2.292 2.061 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 44 ILE HB 1 44 ILE MG 2.420 . 3.140 2.125 2.107 2.150 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 44 ILE HB 1 45 GLU H 2.660 . 3.620 2.957 2.734 3.263 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 44 ILE HB 1 46 GLU H 3.140 . 4.580 3.181 2.741 3.507 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 44 ILE MD 1 46 GLU H 3.270 . 4.840 3.459 2.897 3.912 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 44 ILE MD 1 46 GLU QB 3.330 . 4.960 2.066 1.659 2.537 0.031 12 0 "[ . 1 . 2 . 3]" 1 424 1 44 ILE MD 1 46 GLU QG 3.570 . 5.440 3.464 2.031 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 44 ILE MD 1 47 ASP H 3.350 . 5.000 3.493 3.070 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 44 ILE QG 1 44 ILE MG 2.660 . 3.620 2.215 1.987 2.357 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 44 ILE QG 1 46 GLU H 2.940 . 4.170 2.929 2.371 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 44 ILE QG 1 46 GLU QB 3.310 . 4.920 2.381 1.851 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 44 ILE QG 1 47 ASP H 2.530 . 3.360 2.063 1.843 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 44 ILE MG 1 45 GLU H 3.720 . 5.740 3.940 3.655 4.163 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 44 ILE MG 1 46 GLU H 3.730 . 5.760 4.669 4.359 4.798 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 44 ILE MG 1 47 ASP H 3.850 . 6.000 4.723 4.434 4.962 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 45 GLU H 1 45 GLU QB 3.000 . 4.300 2.154 1.942 2.467 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 45 GLU H 1 45 GLU QG 2.970 . 4.240 2.815 1.854 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 45 GLU H 1 46 GLU H 3.200 . 4.700 3.005 2.754 3.129 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 45 GLU HA 1 45 GLU QG 2.990 . 4.280 2.177 1.908 3.298 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 45 GLU HA 1 46 GLU H 3.430 . 5.160 3.581 3.541 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 45 GLU HA 1 48 ILE H 3.240 . 4.780 3.177 2.976 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 45 GLU HA 1 48 ILE HB 2.790 . 3.870 2.182 1.901 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 45 GLU HA 1 48 ILE MD 2.830 . 3.960 2.802 2.176 3.308 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 45 GLU HA 1 48 ILE QG 3.420 . 5.140 3.051 2.634 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 45 GLU QB 1 46 GLU H 3.170 . 4.640 2.493 2.285 3.248 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 45 GLU QG 1 48 ILE MD 3.850 . 6.000 3.373 2.864 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 46 GLU H 1 46 GLU HA 2.810 . 3.930 2.765 2.736 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 46 GLU H 1 46 GLU QB 2.870 . 4.040 2.071 1.927 2.457 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 46 GLU H 1 46 GLU QG 2.940 . 4.170 3.082 2.066 3.804 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 46 GLU H 1 47 ASP H 2.630 . 3.560 2.930 2.824 3.049 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 46 GLU HA 1 46 GLU QB 2.620 . 3.540 2.507 2.242 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 46 GLU HA 1 46 GLU QG 2.910 . 4.120 2.099 1.907 2.686 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 46 GLU HA 1 47 ASP H 3.080 . 4.460 3.549 3.514 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 46 GLU HA 1 49 GLU H 3.080 . 4.460 4.002 3.743 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 46 GLU HA 1 49 GLU QG 3.080 . 4.460 3.708 2.707 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 46 GLU HA 1 50 ASP H 3.300 . 4.900 4.538 3.961 4.910 0.010 6 0 "[ . 1 . 2 . 3]" 1 454 1 46 GLU QB 1 47 ASP H 3.010 . 4.320 2.716 2.515 2.891 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 47 ASP H 1 47 ASP HA 2.800 . 3.900 2.947 2.912 2.964 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 47 ASP H 1 47 ASP HB2 2.320 . 2.940 2.014 1.944 2.054 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 47 ASP H 1 47 ASP HB3 2.440 . 3.170 3.182 3.152 3.237 0.067 18 0 "[ . 1 . 2 . 3]" 1 458 1 47 ASP H 1 48 ILE H 2.270 . 2.830 2.424 2.330 2.520 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 47 ASP H 1 48 ILE QG 2.900 . 4.100 3.663 3.593 3.707 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 47 ASP H 1 49 GLU H 2.720 . 3.740 3.787 3.761 3.866 0.126 26 0 "[ . 1 . 2 . 3]" 1 461 1 47 ASP HA 1 47 ASP HB2 2.670 . 3.630 2.878 2.860 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 47 ASP HA 1 47 ASP HB3 2.760 . 3.820 2.850 2.810 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 47 ASP HA 1 48 ILE H 3.060 . 4.410 3.569 3.558 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 47 ASP HA 1 50 ASP H 3.060 . 4.410 3.612 3.296 3.896 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 47 ASP HA 1 50 ASP HB2 2.990 . 4.280 3.360 2.690 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 47 ASP HA 1 50 ASP HB3 2.750 . 3.790 3.525 2.934 3.818 0.028 15 0 "[ . 1 . 2 . 3]" 1 467 1 47 ASP HB2 1 48 ILE H 2.680 . 3.660 2.952 2.829 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 47 ASP HB3 1 48 ILE H 2.810 . 3.920 2.731 2.578 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 48 ILE H 1 48 ILE HA 2.670 . 3.650 2.848 2.814 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 48 ILE H 1 48 ILE HB 2.440 . 3.190 2.456 2.388 2.542 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 48 ILE H 1 48 ILE MD 2.950 . 4.200 3.499 3.362 3.529 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 48 ILE H 1 48 ILE QG 2.660 . 3.620 1.852 1.804 1.936 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 48 ILE H 1 48 ILE MG 3.080 . 4.460 3.689 3.677 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 48 ILE H 1 49 GLU H 2.480 . 3.250 2.693 2.585 2.784 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 48 ILE H 1 50 ASP H 3.410 . 5.120 4.377 4.129 4.657 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 48 ILE HA 1 48 ILE HB 2.770 . 3.850 3.034 3.031 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 48 ILE HA 1 48 ILE MD 3.060 . 4.420 3.722 3.682 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 48 ILE HA 1 48 ILE QG 2.890 . 4.080 2.364 2.330 2.409 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 48 ILE HA 1 48 ILE MG 2.590 . 3.480 2.321 2.244 2.403 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 48 ILE HA 1 49 GLU H 3.090 . 4.480 3.552 3.530 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 48 ILE HA 1 51 LEU H 2.960 . 4.220 3.647 3.251 3.879 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 48 ILE HA 1 51 LEU QB 3.310 . 4.910 2.952 2.187 4.218 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 48 ILE HA 1 51 LEU QD 3.850 . 6.000 2.763 1.844 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 48 ILE HB 1 48 ILE MD 2.560 . 3.420 2.444 2.350 2.508 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 48 ILE HB 1 48 ILE MG 2.420 . 3.140 2.131 2.108 2.151 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 48 ILE HB 1 49 GLU H 2.540 . 3.390 2.511 2.389 2.599 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 48 ILE MD 1 49 GLU H 3.850 . 6.000 4.542 4.471 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 48 ILE MG 1 49 GLU H 2.960 . 4.210 3.526 3.425 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 49 GLU H 1 49 GLU HA 2.790 . 3.890 2.837 2.778 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 49 GLU H 1 49 GLU QB 2.650 . 3.590 2.111 1.929 2.432 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 49 GLU H 1 49 GLU QG 2.920 . 4.140 2.791 1.874 3.769 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 49 GLU HA 1 49 GLU QG 2.870 . 4.040 2.259 1.958 2.669 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 49 GLU HA 1 50 ASP H 3.140 . 4.580 3.574 3.527 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 49 GLU HA 1 52 MET H 3.240 . 4.780 3.564 3.276 3.958 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 49 GLU HA 1 52 MET HB2 3.030 . 4.360 3.784 2.827 4.365 0.005 6 0 "[ . 1 . 2 . 3]" 1 496 1 49 GLU HA 1 52 MET HB3 2.920 . 4.140 2.984 2.585 3.896 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 49 GLU QB 1 50 ASP H 2.810 . 3.920 2.489 2.212 2.705 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 49 GLU QG 1 50 ASP H 3.350 . 5.000 4.089 3.001 4.487 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 50 ASP H 1 50 ASP HA 2.730 . 3.750 2.809 2.764 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 50 ASP H 1 50 ASP HB2 2.460 . 3.220 2.252 1.941 2.558 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 50 ASP H 1 50 ASP HB3 2.460 . 3.220 2.661 2.316 3.198 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 50 ASP H 1 51 LEU H 2.600 . 3.500 2.921 2.611 3.132 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 50 ASP H 1 51 LEU QB 3.850 . 6.000 4.494 4.158 5.023 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 50 ASP HA 1 50 ASP HB2 2.660 . 3.620 2.554 2.392 2.824 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 50 ASP HA 1 51 LEU H 3.150 . 4.590 3.583 3.551 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 50 ASP HA 1 54 ASP H 3.290 . 4.880 3.832 3.314 4.681 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 50 ASP HB2 1 51 LEU H 2.850 . 4.000 3.600 3.118 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 50 ASP HB3 1 51 LEU H 2.660 . 3.620 2.334 2.134 2.662 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 51 LEU H 1 51 LEU HA 2.810 . 3.910 2.808 2.774 2.853 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 51 LEU H 1 51 LEU QB 2.670 . 3.650 2.078 1.918 2.415 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 51 LEU H 1 51 LEU QD 3.700 . 5.700 2.560 1.942 3.631 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 51 LEU H 1 51 LEU HG 3.100 . 4.500 3.360 1.882 4.333 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 51 LEU H 1 52 MET H 2.560 . 3.410 2.892 2.722 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 51 LEU HA 1 51 LEU QD 2.920 . 4.140 2.413 1.741 3.140 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 51 LEU HA 1 51 LEU HG 2.980 . 4.250 2.461 1.957 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 51 LEU HA 1 52 MET H 3.330 . 4.960 3.575 3.522 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 51 LEU HA 1 54 ASP H 3.130 . 4.560 3.869 3.525 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 51 LEU HA 1 54 ASP HB3 3.060 . 4.410 3.243 2.540 3.931 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 51 LEU QB 1 51 LEU QD 2.710 . 3.730 1.850 1.712 2.055 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 51 LEU QB 1 52 MET H 3.290 . 4.880 2.555 2.249 3.525 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 51 LEU QB 1 63 ILE MD 3.140 . 4.580 3.352 3.152 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 52 MET H 1 52 MET HA 2.640 . 3.580 2.875 2.829 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 52 MET H 1 52 MET HB2 2.650 . 3.610 2.524 2.126 2.753 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 52 MET H 1 52 MET HB3 2.600 . 3.500 2.358 2.151 2.789 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 52 MET H 1 52 MET ME 3.850 . 6.000 3.921 3.329 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 52 MET H 1 52 MET QG 3.080 . 4.460 3.914 3.807 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 52 MET H 1 53 LYS HA 3.510 . 5.320 5.352 5.273 5.399 0.079 27 0 "[ . 1 . 2 . 3]" 1 528 1 52 MET HA 1 52 MET HB3 2.670 . 3.630 3.030 2.998 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 52 MET HA 1 52 MET ME 3.850 . 6.000 2.393 1.785 2.734 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 52 MET HA 1 52 MET QG 2.810 . 3.920 2.634 2.054 3.177 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 52 MET HA 1 55 SER H 3.250 . 4.800 3.549 3.258 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 52 MET HA 1 55 SER HB2 2.710 . 3.710 3.462 3.147 3.722 0.012 5 0 "[ . 1 . 2 . 3]" 1 533 1 52 MET HA 1 63 ILE MD 3.850 . 6.000 2.185 1.829 2.840 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 52 MET HB2 1 53 LYS H 2.920 . 4.130 3.793 3.423 4.128 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 52 MET HB3 1 52 MET ME 3.120 . 4.540 3.449 3.216 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 52 MET HB3 1 53 LYS H 2.770 . 3.840 2.418 2.099 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 52 MET ME 1 52 MET QG 3.020 . 4.330 2.278 2.050 2.429 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 52 MET ME 1 55 SER HB2 3.850 . 6.000 4.823 4.275 5.010 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 52 MET ME 1 62 ARG HA 3.410 . 5.120 2.568 1.909 3.522 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 52 MET ME 1 63 ILE H 3.650 . 5.600 2.563 1.921 3.118 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 52 MET ME 1 63 ILE HB 2.950 . 4.200 3.240 2.829 3.516 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 52 MET ME 1 63 ILE QG 3.800 . 5.900 2.341 1.840 3.065 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 53 LYS H 1 53 LYS HA 2.750 . 3.800 2.837 2.759 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 53 LYS H 1 53 LYS QB 2.850 . 4.000 2.067 1.925 2.339 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 53 LYS H 1 53 LYS QD 3.850 . 6.000 4.030 2.920 4.690 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 53 LYS H 1 53 LYS QG 3.310 . 4.920 3.267 1.994 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 53 LYS H 1 54 ASP H 3.020 . 4.340 2.833 2.552 3.196 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 53 LYS HA 1 53 LYS QB 2.660 . 3.620 2.483 2.342 2.549 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 53 LYS HA 1 53 LYS QD 3.290 . 4.880 3.256 1.934 4.087 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 53 LYS HA 1 53 LYS QG 2.870 . 4.040 2.243 1.929 2.943 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 53 LYS HA 1 54 ASP H 3.090 . 4.480 3.576 3.543 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 53 LYS HA 1 56 ASP H 3.230 . 4.760 4.006 3.288 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 53 LYS HA 1 56 ASP QB 2.750 . 3.790 2.902 2.243 3.355 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 53 LYS QB 1 53 LYS QE 3.850 . 6.000 3.112 1.884 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 53 LYS QB 1 54 ASP H 2.640 . 3.580 2.405 2.075 2.694 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 53 LYS QB 1 54 ASP HA 3.230 . 4.760 3.905 3.744 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 53 LYS QE 1 53 LYS QG 3.280 . 4.860 2.114 1.933 2.429 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 54 ASP H 1 54 ASP HA 2.790 . 3.890 2.861 2.795 2.909 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 54 ASP H 1 54 ASP HB2 2.380 . 3.070 2.231 1.934 2.587 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 54 ASP H 1 54 ASP HB3 2.450 . 3.200 2.693 2.303 3.154 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 54 ASP H 1 55 SER H 2.360 . 3.030 2.682 2.495 2.879 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 54 ASP HA 1 54 ASP HB2 2.650 . 3.600 2.601 2.413 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 54 ASP HA 1 54 ASP HB3 2.770 . 3.830 2.997 2.879 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 54 ASP HA 1 55 SER H 3.310 . 4.920 3.541 3.466 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 54 ASP HB2 1 55 SER H 2.900 . 4.090 3.716 3.245 4.044 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 54 ASP HB3 1 55 SER H 2.900 . 4.100 2.759 2.336 3.247 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 55 SER H 1 55 SER HA 2.960 . 4.210 2.939 2.835 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 55 SER H 1 55 SER HB2 2.220 . 2.740 2.244 2.098 2.430 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 55 SER H 1 55 SER HB3 2.270 . 2.840 2.776 2.587 2.876 0.036 26 0 "[ . 1 . 2 . 3]" 1 570 1 55 SER H 1 56 ASP H 2.780 . 3.860 2.624 2.219 2.900 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 55 SER HA 1 55 SER HB2 2.790 . 3.870 2.669 2.581 2.728 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 55 SER HA 1 55 SER HB3 2.670 . 3.630 2.991 2.962 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 55 SER HA 1 56 ASP H 3.210 . 4.720 3.582 3.546 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 55 SER HB2 1 56 ASP H 3.140 . 4.580 3.327 3.110 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 55 SER HB2 1 63 ILE MD 2.930 . 4.160 3.114 2.612 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 55 SER HB2 1 63 ILE QG 2.360 . 3.020 2.710 2.620 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 55 SER HB2 1 71 MET ME 3.520 . 5.340 2.773 1.971 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 55 SER HB3 1 63 ILE MD 3.120 . 4.540 2.922 2.585 3.085 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 55 SER HB3 1 63 ILE QG 2.330 . 2.950 1.816 1.769 1.945 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 55 SER HB3 1 63 ILE MG 3.580 . 5.460 3.536 3.267 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 55 SER HB3 1 71 MET ME 3.240 . 4.780 3.680 3.118 3.987 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 56 ASP H 1 56 ASP HA 2.820 . 3.940 2.780 2.726 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 56 ASP H 1 56 ASP QB 2.810 . 3.930 2.052 1.920 2.189 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 56 ASP H 1 57 LYS H 3.210 . 4.710 4.214 3.982 4.402 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 56 ASP HA 1 57 LYS H 2.790 . 3.870 2.338 2.219 2.475 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 56 ASP HA 1 58 ASN H 3.130 . 4.560 3.336 3.009 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 57 LYS H 1 57 LYS HA 2.850 . 4.000 2.938 2.885 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 57 LYS H 1 57 LYS QB 3.190 . 4.670 2.087 1.942 2.242 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 57 LYS H 1 57 LYS QD 3.680 . 5.660 4.168 3.167 4.687 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 57 LYS H 1 57 LYS QG 3.170 . 4.640 3.729 2.993 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 57 LYS H 1 67 GLU QB 2.790 . 3.880 3.429 3.196 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 57 LYS H 1 67 GLU QG 2.510 . 3.320 2.020 1.763 2.467 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 57 LYS HA 1 57 LYS QD 3.080 . 4.460 3.374 1.959 3.988 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 57 LYS HA 1 57 LYS QG 3.380 . 5.050 2.170 1.910 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 57 LYS HA 1 58 ASN H 3.210 . 4.720 3.388 2.781 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 57 LYS HA 1 59 ASN H 3.600 . 5.500 4.041 3.552 5.472 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 57 LYS QE 1 57 LYS QG 3.210 . 4.710 2.114 1.898 2.414 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 58 ASN H 1 58 ASN QB 2.830 . 3.970 2.680 2.263 3.070 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 58 ASN H 1 59 ASN H 2.400 . 3.110 2.248 1.860 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 58 ASN H 1 59 ASN HA 3.480 . 5.260 4.404 4.066 4.861 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 58 ASN HA 1 59 ASN H 3.160 . 4.620 3.208 3.028 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 59 ASN H 1 59 ASN HA 2.590 . 3.480 2.378 2.354 2.836 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 59 ASN H 1 59 ASN HB2 2.730 . 3.750 3.263 2.924 3.672 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 59 ASN H 1 59 ASN HB3 2.840 . 3.980 3.991 3.758 4.038 0.058 7 0 "[ . 1 . 2 . 3]" 1 605 1 59 ASN H 1 60 ASP H 2.610 . 3.520 2.953 2.301 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 59 ASN HA 1 59 ASN HB2 2.830 . 3.960 2.966 2.855 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 59 ASN HA 1 59 ASN HB3 2.720 . 3.740 2.633 2.380 2.867 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 59 ASN HA 1 60 ASP H 2.990 . 4.280 2.814 2.354 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 59 ASN HA 1 61 GLY H 3.250 . 4.800 3.203 3.017 3.688 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 59 ASN HB2 1 60 ASP H 3.230 . 4.760 4.235 2.912 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 59 ASN HB3 1 60 ASP H 3.100 . 4.500 4.235 2.778 4.537 0.037 27 0 "[ . 1 . 2 . 3]" 1 612 1 59 ASN HB3 1 61 GLY H 3.210 . 4.710 4.690 4.490 4.747 0.037 15 0 "[ . 1 . 2 . 3]" 1 613 1 60 ASP H 1 60 ASP QB 2.770 . 3.830 2.624 1.968 3.102 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 60 ASP H 1 61 GLY H 2.820 . 3.940 2.401 1.881 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 61 GLY H 1 62 ARG H 3.180 . 4.660 2.669 2.250 2.963 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 61 GLY QA 1 62 ARG H 3.120 . 4.540 2.851 2.632 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 62 ARG H 1 62 ARG HA 2.900 . 4.100 2.958 2.945 2.993 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 62 ARG H 1 62 ARG HB2 3.420 . 5.140 2.737 2.483 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 62 ARG H 1 62 ARG HB3 3.640 . 5.580 3.760 3.518 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 62 ARG H 1 62 ARG QG 3.590 . 5.480 3.435 2.690 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 62 ARG HA 1 62 ARG HB2 2.810 . 3.910 2.990 2.883 3.039 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 62 ARG HA 1 62 ARG HB3 2.670 . 3.630 2.634 2.392 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 62 ARG HA 1 62 ARG QG 3.080 . 4.460 2.213 2.070 2.510 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 62 ARG HA 1 63 ILE H 2.620 . 3.540 2.267 2.209 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 62 ARG HB2 1 62 ARG QD 2.910 . 4.120 2.511 2.052 3.142 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 62 ARG HB2 1 63 ILE H 3.620 . 5.540 4.265 3.535 4.593 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 62 ARG HB3 1 62 ARG QD 2.820 . 3.940 2.331 2.058 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 62 ARG HB3 1 63 ILE H 3.610 . 5.520 3.292 2.290 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 63 ILE H 1 63 ILE HB 2.960 . 4.220 2.153 2.044 2.258 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 63 ILE H 1 63 ILE MD 3.850 . 6.000 3.076 2.634 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 63 ILE H 1 63 ILE QG 3.370 . 5.040 2.866 2.528 3.202 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 63 ILE H 1 63 ILE MG 3.850 . 6.000 3.615 3.503 3.687 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 63 ILE HA 1 63 ILE HB 2.720 . 3.740 3.016 2.985 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 63 ILE HA 1 63 ILE MD 3.560 . 5.420 3.724 3.518 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 63 ILE HA 1 63 ILE QG 2.720 . 3.740 2.240 2.095 2.358 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 63 ILE HA 1 63 ILE MG 3.030 . 4.360 2.552 2.419 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 63 ILE HA 1 64 ASP H 2.270 . 2.840 2.243 2.208 2.460 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 63 ILE HA 1 67 GLU QB 2.690 . 3.690 2.725 2.306 3.061 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 63 ILE HB 1 63 ILE MD 2.790 . 3.870 2.088 1.908 2.234 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 63 ILE HB 1 63 ILE MG 2.490 . 3.280 2.135 2.108 2.152 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 63 ILE MD 1 63 ILE MG 3.290 . 4.870 2.418 2.093 2.799 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 63 ILE QG 1 63 ILE MG 3.100 . 4.500 2.083 1.880 2.195 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 63 ILE QG 1 67 GLU QB 2.830 . 3.950 3.116 2.919 3.176 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 63 ILE MG 1 64 ASP H 3.180 . 4.660 2.727 1.806 3.305 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 63 ILE MG 1 67 GLU H 3.850 . 6.000 4.364 3.979 4.770 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 63 ILE MG 1 67 GLU QB 3.120 . 4.540 2.521 2.156 2.883 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 63 ILE MG 1 68 PHE H 3.090 . 4.480 2.561 2.062 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 63 ILE MG 1 68 PHE HA 3.420 . 5.140 2.348 1.855 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 63 ILE MG 1 68 PHE QB 3.640 . 5.580 2.202 1.770 2.860 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 64 ASP H 1 64 ASP HA 2.900 . 4.100 2.985 2.956 3.002 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 64 ASP H 1 64 ASP HB2 3.390 . 5.080 3.654 3.577 3.874 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 64 ASP H 1 64 ASP HB3 2.900 . 4.090 2.789 2.450 3.253 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 64 ASP H 1 67 GLU H 2.960 . 4.210 3.452 3.138 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 654 1 64 ASP H 1 67 GLU QB 2.610 . 3.520 1.992 1.831 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 64 ASP HA 1 64 ASP HB2 2.670 . 3.640 2.459 2.360 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 64 ASP HA 1 64 ASP HB3 2.690 . 3.690 2.494 2.409 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 64 ASP HA 1 65 PHE H 2.670 . 3.630 2.741 2.578 3.064 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 64 ASP HB2 1 65 PHE H 2.560 . 3.420 2.134 1.936 2.284 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 64 ASP HB2 1 66 ASP H 3.290 . 4.880 3.630 3.052 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 64 ASP HB3 1 65 PHE H 2.700 . 3.700 3.618 3.392 3.724 0.024 10 0 "[ . 1 . 2 . 3]" 1 661 1 65 PHE H 1 65 PHE HA 2.760 . 3.820 2.848 2.759 2.934 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 65 PHE H 1 65 PHE QB 2.530 . 3.360 2.160 1.911 2.495 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 65 PHE H 1 66 ASP H 2.580 . 3.460 2.850 2.450 3.150 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 65 PHE HA 1 66 ASP H 3.410 . 5.120 3.581 3.518 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 65 PHE HA 1 68 PHE H 2.880 . 4.060 3.895 3.641 4.076 0.016 20 0 "[ . 1 . 2 . 3]" 1 666 1 65 PHE HA 1 68 PHE QB 2.890 . 4.080 2.651 2.301 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 65 PHE QB 1 66 ASP H 2.910 . 4.120 2.518 1.980 3.502 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 65 PHE QB 1 66 ASP HA 3.550 . 5.400 4.018 3.722 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 66 ASP H 1 66 ASP HA 2.770 . 3.850 2.840 2.787 2.919 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 66 ASP H 1 66 ASP HB2 2.460 . 3.210 1.962 1.930 2.031 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 66 ASP H 1 66 ASP HB3 2.550 . 3.400 3.287 3.160 3.406 0.006 9 0 "[ . 1 . 2 . 3]" 1 672 1 66 ASP H 1 67 GLU H 2.410 . 3.120 2.934 2.551 3.136 0.016 27 0 "[ . 1 . 2 . 3]" 1 673 1 66 ASP H 1 68 PHE H 3.450 . 5.200 4.229 3.999 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 66 ASP HA 1 66 ASP HB2 2.730 . 3.750 2.896 2.856 2.953 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 66 ASP HA 1 66 ASP HB3 2.650 . 3.600 2.821 2.746 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 66 ASP HA 1 67 GLU H 3.540 . 5.380 3.590 3.579 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 66 ASP HA 1 69 LEU H 3.210 . 4.710 3.979 3.670 4.351 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 66 ASP HA 1 69 LEU HB2 3.100 . 4.500 3.261 2.776 3.749 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 66 ASP HA 1 69 LEU HB3 3.470 . 5.240 4.787 4.261 5.240 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 66 ASP HA 1 69 LEU QD 3.100 . 4.500 2.643 1.946 3.330 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 66 ASP HA 1 69 LEU HG 3.310 . 4.920 4.327 3.382 4.952 0.032 27 0 "[ . 1 . 2 . 3]" 1 682 1 66 ASP HB2 1 67 GLU H 2.970 . 4.240 2.786 2.507 3.093 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 66 ASP HB3 1 67 GLU H 2.960 . 4.210 2.530 2.331 2.811 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 66 ASP HB3 1 67 GLU QB 3.420 . 5.130 4.520 4.315 4.601 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 67 GLU H 1 67 GLU HA 2.640 . 3.580 2.836 2.775 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 67 GLU H 1 67 GLU QB 2.690 . 3.690 2.380 2.247 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 67 GLU H 1 67 GLU QG 2.310 . 2.930 1.953 1.844 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 67 GLU H 1 68 PHE H 2.600 . 3.500 2.829 2.627 2.988 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 67 GLU H 1 68 PHE QB 3.850 . 6.000 4.407 4.169 4.604 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 67 GLU HA 1 67 GLU QG 2.270 . 2.830 2.406 2.245 2.466 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 67 GLU HA 1 68 PHE H 3.060 . 4.420 3.578 3.543 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 67 GLU HA 1 70 LYS H 2.850 . 4.000 3.674 3.178 4.011 0.011 4 0 "[ . 1 . 2 . 3]" 1 693 1 67 GLU QB 1 68 PHE H 2.930 . 4.160 2.409 2.107 2.717 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 68 PHE H 1 68 PHE HA 2.890 . 4.080 2.809 2.744 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 68 PHE H 1 68 PHE QB 2.690 . 3.690 2.135 1.958 2.193 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 68 PHE H 1 69 LEU H 2.650 . 3.600 2.990 2.755 3.216 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 68 PHE HA 1 69 LEU H 3.570 . 5.440 3.584 3.539 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 68 PHE HA 1 71 MET H 3.250 . 4.790 3.675 3.117 4.123 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 68 PHE HA 1 71 MET QB 2.920 . 4.140 2.903 1.997 3.731 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 68 PHE HA 1 71 MET QG 2.580 . 3.460 2.783 1.804 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 68 PHE QB 1 69 LEU H 2.820 . 3.940 2.235 1.907 2.716 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 69 LEU H 1 69 LEU HA 2.770 . 3.830 2.808 2.740 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 69 LEU H 1 69 LEU HB2 2.650 . 3.590 2.343 2.115 2.506 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 69 LEU H 1 69 LEU HB3 2.790 . 3.890 3.526 3.462 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 69 LEU H 1 69 LEU QD 3.010 . 4.320 2.962 2.733 3.203 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 69 LEU H 1 69 LEU HG 2.580 . 3.460 2.167 1.879 2.679 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 69 LEU H 1 70 LYS H 2.640 . 3.580 2.949 2.568 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 69 LEU HA 1 69 LEU HB2 2.850 . 4.000 3.025 2.993 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 69 LEU HA 1 69 LEU HB3 2.690 . 3.690 2.559 2.474 2.674 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 69 LEU HA 1 69 LEU QD 2.790 . 3.880 2.136 1.867 2.472 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 69 LEU HA 1 69 LEU HG 3.060 . 4.410 2.707 2.296 3.078 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 69 LEU HA 1 70 LYS H 3.120 . 4.540 3.583 3.531 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 69 LEU HA 1 72 MET H 2.890 . 4.080 3.718 3.380 4.073 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 69 LEU HB2 1 69 LEU QD 2.700 . 3.700 2.157 1.934 2.368 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 69 LEU HB2 1 69 LEU HG 2.710 . 3.730 2.574 2.428 2.723 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 69 LEU HB2 1 70 LYS H 2.750 . 3.800 2.378 2.052 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 69 LEU HB3 1 69 LEU QD 2.570 . 3.440 2.055 1.971 2.118 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 69 LEU HB3 1 69 LEU HG 2.660 . 3.620 3.013 2.961 3.034 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 69 LEU HB3 1 70 LYS H 2.880 . 4.050 3.246 2.756 3.736 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 69 LEU QD 1 70 LYS H 3.850 . 6.000 3.871 3.646 4.071 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 69 LEU HG 1 70 LYS H 3.190 . 4.680 4.364 4.052 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 70 LYS H 1 70 LYS HA 2.650 . 3.610 2.830 2.774 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 70 LYS H 1 70 LYS QB 2.760 . 3.820 2.041 1.920 2.545 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 70 LYS H 1 70 LYS QG 3.210 . 4.710 3.373 1.854 3.967 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 70 LYS H 1 71 MET H 2.510 . 3.320 2.840 2.458 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 70 LYS HA 1 70 LYS QD 3.230 . 4.760 3.141 1.893 3.999 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 70 LYS HA 1 70 LYS QE 3.770 . 5.830 4.066 2.424 4.654 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 70 LYS HA 1 70 LYS QG 3.100 . 4.500 2.191 1.948 2.554 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 70 LYS HA 1 71 MET H 3.140 . 4.580 3.570 3.498 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 70 LYS QB 1 70 LYS QE 3.850 . 6.000 3.277 2.026 3.804 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 70 LYS QB 1 71 MET H 2.750 . 3.790 2.491 2.095 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 70 LYS QB 1 73 GLU H 3.850 . 6.000 4.947 4.488 5.368 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 70 LYS QE 1 70 LYS QG 3.230 . 4.760 2.115 1.904 2.482 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 71 MET H 1 71 MET HA 2.810 . 3.920 2.830 2.758 2.895 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 71 MET H 1 71 MET QB 2.490 . 3.280 2.005 1.893 2.602 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 71 MET H 1 71 MET QG 2.600 . 3.500 2.973 1.883 3.169 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 71 MET H 1 72 MET H 2.380 . 3.050 2.825 2.561 3.062 0.012 8 0 "[ . 1 . 2 . 3]" 1 738 1 71 MET H 1 73 GLU H 3.850 . 6.000 4.239 3.719 5.122 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 71 MET HA 1 71 MET QG 2.930 . 4.160 3.238 3.117 3.440 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 71 MET HA 1 72 MET H 2.980 . 4.250 3.570 3.537 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 71 MET HA 1 73 GLU H 3.700 . 5.700 4.042 3.562 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 71 MET QB 1 71 MET ME 3.120 . 4.540 2.143 1.785 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 71 MET QB 1 72 MET H 2.560 . 3.430 3.102 3.066 3.145 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 71 MET ME 1 71 MET QG 2.830 . 3.960 2.236 1.880 2.549 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 71 MET QG 1 72 MET H 2.360 . 3.020 1.910 1.793 2.141 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 71 MET QG 1 72 MET ME 3.590 . 5.480 3.436 2.391 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 72 MET H 1 72 MET HA 2.890 . 4.080 2.928 2.734 3.001 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 72 MET H 1 72 MET QB 2.140 . 2.580 2.126 1.929 2.314 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 72 MET HA 1 72 MET QB 2.670 . 3.640 2.472 2.184 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 72 MET HA 1 73 GLU H 2.960 . 4.220 3.158 2.600 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 72 MET HA 1 75 VAL QG 3.230 . 4.750 2.672 1.837 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 72 MET QB 1 73 GLU H 3.850 . 6.000 3.450 2.556 3.977 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 72 MET QB 1 75 VAL QG 3.850 . 6.000 3.486 1.634 3.976 0.066 11 0 "[ . 1 . 2 . 3]" 1 754 1 73 GLU H 1 73 GLU QB 2.870 . 4.040 2.213 1.970 3.168 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 73 GLU H 1 73 GLU QG 3.380 . 5.060 3.629 2.512 4.054 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 73 GLU H 1 75 VAL H 3.850 . 6.000 4.609 3.410 6.014 0.014 9 0 "[ . 1 . 2 . 3]" 1 757 1 73 GLU HA 1 73 GLU QG 2.860 . 4.020 2.300 1.984 3.396 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 73 GLU HA 1 74 GLY H 2.840 . 3.980 2.682 2.210 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 73 GLU HA 1 75 VAL H 3.160 . 4.620 4.082 3.292 4.648 0.028 26 0 "[ . 1 . 2 . 3]" 1 760 1 73 GLU QG 1 74 GLY H 3.850 . 6.000 3.730 2.025 4.729 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 74 GLY H 1 75 VAL H 3.640 . 5.580 2.649 1.861 3.341 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 74 GLY QA 1 75 VAL H 2.750 . 3.790 2.750 2.514 2.924 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 75 VAL H 1 75 VAL HA 2.600 . 3.500 2.889 2.770 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 75 VAL H 1 75 VAL HB 2.310 . 2.930 2.480 2.238 2.961 0.031 20 0 "[ . 1 . 2 . 3]" 1 765 1 75 VAL H 1 75 VAL QG 3.310 . 4.920 2.143 1.829 2.677 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 75 VAL HA 1 75 VAL HB 2.690 . 3.670 2.780 2.409 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 75 VAL HA 1 75 VAL QG 2.920 . 4.140 2.152 1.992 2.386 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 75 VAL HA 1 76 GLN H 2.250 . 2.810 2.294 2.198 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 75 VAL HB 1 76 GLN H 3.050 . 4.400 4.143 3.593 4.440 0.040 6 0 "[ . 1 . 2 . 3]" 1 770 1 75 VAL QG 1 76 GLN H 3.330 . 4.960 2.374 1.804 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 75 VAL QG 1 76 GLN HA 3.850 . 6.000 3.699 3.154 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 75 VAL QG 1 76 GLN QG 3.850 . 6.000 3.466 1.837 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 76 GLN H 1 76 GLN HA 2.710 . 3.730 2.722 2.362 3.002 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 76 GLN H 1 76 GLN HB2 2.690 . 3.690 2.778 2.207 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 76 GLN H 1 76 GLN HB3 2.980 . 4.260 3.776 3.502 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 76 GLN H 1 76 GLN QG 3.150 . 4.600 2.855 1.869 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 76 GLN HA 1 76 GLN HB2 2.750 . 3.810 2.987 2.858 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 76 GLN HA 1 76 GLN HB3 2.650 . 3.600 2.615 2.370 2.867 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 76 GLN HA 1 76 GLN QG 3.020 . 4.340 2.337 1.910 3.008 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 76 GLN HB3 1 76 GLN QG 2.340 . 2.980 2.397 2.173 2.545 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_
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