NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
402854 | 1wh1 | 11201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wh1 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 1723 _Distance_constraint_stats_list.Viol_count 193 _Distance_constraint_stats_list.Viol_total 33.409 _Distance_constraint_stats_list.Viol_max 2.580 _Distance_constraint_stats_list.Viol_rms 0.1310 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0194 _Distance_constraint_stats_list.Viol_average_violations_only 0.1731 _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 8 ASP 0.000 0.000 . 0 "[ ]" 1 9 ILE 0.000 0.000 . 0 "[ ]" 1 10 HIS 0.000 0.000 . 0 "[ ]" 1 11 GLN 0.000 0.000 . 0 "[ ]" 1 12 GLU 0.307 0.299 1 0 "[ ]" 1 13 MET 0.314 0.299 1 0 "[ ]" 1 14 ASP 0.000 0.000 . 0 "[ ]" 1 15 ARG 1.109 0.971 1 1 [+] 1 16 GLU 1.054 0.971 1 1 [+] 1 17 GLU 3.150 1.344 1 1 [+] 1 18 LEU 5.938 2.580 1 1 [+] 1 19 GLU 2.775 2.459 1 1 [+] 1 20 LEU 0.328 0.132 1 0 "[ ]" 1 21 GLU 1.231 0.909 1 1 [+] 1 22 GLU 0.980 0.909 1 1 [+] 1 23 VAL 0.367 0.190 1 0 "[ ]" 1 24 ASP 0.047 0.033 1 0 "[ ]" 1 25 LEU 0.058 0.032 1 0 "[ ]" 1 26 TYR 0.697 0.643 1 1 [+] 1 27 ARG 1.897 1.319 1 1 [+] 1 28 MET 1.471 0.643 1 1 [+] 1 29 ASN 0.315 0.260 1 0 "[ ]" 1 30 SER 0.000 0.000 . 0 "[ ]" 1 31 GLN 0.000 0.000 . 0 "[ ]" 1 32 ASP 0.364 0.364 1 0 "[ ]" 1 33 LYS 0.415 0.125 1 0 "[ ]" 1 34 LEU 0.656 0.516 1 1 [+] 1 35 GLY 0.234 0.125 1 0 "[ ]" 1 36 LEU 1.173 0.516 1 1 [+] 1 37 THR 0.750 0.511 1 1 [+] 1 38 VAL 0.373 0.195 1 0 "[ ]" 1 39 CYS 0.009 0.009 1 0 "[ ]" 1 40 TYR 0.004 0.004 1 0 "[ ]" 1 41 ARG 2.883 1.693 1 1 [+] 1 42 THR 3.591 1.693 1 1 [+] 1 43 ASP 0.000 0.000 . 0 "[ ]" 1 44 ASP 0.233 0.170 1 0 "[ ]" 1 45 GLU 0.209 0.170 1 0 "[ ]" 1 46 ASP 0.000 0.000 . 0 "[ ]" 1 47 ASP 0.105 0.105 1 0 "[ ]" 1 48 ILE 1.171 0.702 1 1 [+] 1 49 GLY 0.038 0.038 1 0 "[ ]" 1 50 ILE 0.252 0.080 1 0 "[ ]" 1 51 TYR 0.505 0.242 1 0 "[ ]" 1 52 ILE 1.958 1.484 1 1 [+] 1 53 SER 0.000 0.000 . 0 "[ ]" 1 54 GLU 0.361 0.172 1 0 "[ ]" 1 55 ILE 0.387 0.122 1 0 "[ ]" 1 56 ASP 0.000 0.000 . 0 "[ ]" 1 57 PRO 0.342 0.304 1 0 "[ ]" 1 58 ASN 0.539 0.304 1 0 "[ ]" 1 59 SER 0.164 0.095 1 0 "[ ]" 1 60 ILE 0.166 0.110 1 0 "[ ]" 1 61 ALA 0.351 0.126 1 0 "[ ]" 1 62 ALA 0.043 0.037 1 0 "[ ]" 1 63 LYS 0.087 0.087 1 0 "[ ]" 1 64 ASP 0.049 0.034 1 0 "[ ]" 1 65 GLY 0.139 0.139 1 0 "[ ]" 1 66 ARG 0.250 0.139 1 0 "[ ]" 1 67 ILE 0.097 0.068 1 0 "[ ]" 1 68 ARG 0.251 0.094 1 0 "[ ]" 1 69 GLU 1.836 1.484 1 1 [+] 1 70 GLY 0.078 0.042 1 0 "[ ]" 1 71 ASP 0.187 0.061 1 0 "[ ]" 1 72 ARG 0.344 0.237 1 0 "[ ]" 1 73 ILE 1.526 0.890 1 1 [+] 1 74 ILE 0.265 0.096 1 0 "[ ]" 1 75 GLN 0.264 0.082 1 0 "[ ]" 1 76 ILE 0.575 0.136 1 0 "[ ]" 1 77 ASN 0.166 0.116 1 0 "[ ]" 1 78 GLY 0.082 0.082 1 0 "[ ]" 1 79 ILE 0.261 0.111 1 0 "[ ]" 1 80 GLU 0.362 0.111 1 0 "[ ]" 1 81 VAL 0.163 0.056 1 0 "[ ]" 1 82 GLN 0.069 0.035 1 0 "[ ]" 1 83 ASN 0.168 0.056 1 0 "[ ]" 1 84 ARG 0.565 0.483 1 0 "[ ]" 1 85 GLU 0.159 0.159 1 0 "[ ]" 1 86 GLU 0.299 0.122 1 0 "[ ]" 1 87 ALA 0.268 0.121 1 0 "[ ]" 1 88 VAL 0.627 0.483 1 0 "[ ]" 1 89 ALA 0.418 0.257 1 0 "[ ]" 1 90 LEU 0.492 0.257 1 0 "[ ]" 1 91 LEU 0.415 0.113 1 0 "[ ]" 1 92 THR 0.000 0.000 . 0 "[ ]" 1 93 SER 0.013 0.013 1 0 "[ ]" 1 94 GLU 0.000 0.000 . 0 "[ ]" 1 95 GLU 0.324 0.312 1 0 "[ ]" 1 96 ASN 0.028 0.028 1 0 "[ ]" 1 97 LYS 0.451 0.246 1 0 "[ ]" 1 98 ASN 0.000 0.000 . 0 "[ ]" 1 99 PHE 1.385 1.319 1 1 [+] 1 100 SER 0.033 0.033 1 0 "[ ]" 1 101 LEU 1.027 0.890 1 1 [+] 1 102 LEU 0.266 0.069 1 0 "[ ]" 1 103 ILE 0.365 0.106 1 0 "[ ]" 1 104 ALA 0.472 0.132 1 0 "[ ]" 1 105 ARG 0.349 0.140 1 0 "[ ]" 1 106 PRO 0.272 0.140 1 0 "[ ]" 1 107 GLU 5.685 2.580 1 1 [+] 1 108 LEU 0.893 0.893 1 1 [+] 1 109 GLN 0.948 0.893 1 1 [+] 1 110 LEU 0.093 0.093 1 0 "[ ]" 1 111 ASP 0.000 0.000 . 0 "[ ]" 1 112 GLU 0.000 0.000 . 0 "[ ]" 1 113 GLY 0.000 0.000 . 0 "[ ]" 1 114 TRP 0.000 0.000 . 0 "[ ]" 1 115 MET 0.000 0.000 . 0 "[ ]" 1 116 ASP 0.000 0.000 . 0 "[ ]" 1 117 ASP 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 82 GLN HA 1 82 GLN HE21 . . 5.320 4.847 4.847 4.847 . 0 0 "[ ]" 1 2 1 58 ASN HB2 1 59 SER H . . 4.760 4.670 4.670 4.670 . 0 0 "[ ]" 1 3 1 58 ASN H 1 59 SER H . . 3.900 3.585 3.585 3.585 . 0 0 "[ ]" 1 4 1 59 SER H 1 63 LYS H . . 4.810 2.846 2.846 2.846 . 0 0 "[ ]" 1 5 1 59 SER H 1 62 ALA H . . 4.450 3.378 3.378 3.378 . 0 0 "[ ]" 1 6 1 59 SER H 1 59 SER HG . . 3.850 3.822 3.822 3.822 . 0 0 "[ ]" 1 7 1 59 SER H 1 59 SER HB2 . . 4.100 3.948 3.948 3.948 . 0 0 "[ ]" 1 8 1 59 SER H 1 59 SER HB3 . . 3.910 3.269 3.269 3.269 . 0 0 "[ ]" 1 9 1 58 ASN HB3 1 59 SER H . . 4.920 4.270 4.270 4.270 . 0 0 "[ ]" 1 10 1 56 ASP QB 1 59 SER H . . 4.600 3.937 3.937 3.937 . 0 0 "[ ]" 1 11 1 82 GLN H 1 83 ASN H . . 3.340 1.887 1.887 1.887 . 0 0 "[ ]" 1 12 1 83 ASN H 1 84 ARG H . . 4.900 4.270 4.270 4.270 . 0 0 "[ ]" 1 13 1 83 ASN H 1 86 GLU H . . 4.600 4.581 4.581 4.581 . 0 0 "[ ]" 1 14 1 82 GLN QG 1 83 ASN H . . 4.480 4.513 4.513 4.513 0.033 1 0 "[ ]" 1 15 1 82 GLN HB3 1 83 ASN H . . 4.410 4.445 4.445 4.445 0.035 1 0 "[ ]" 1 16 1 83 ASN H 1 87 ALA MB . . 5.010 4.142 4.142 4.142 . 0 0 "[ ]" 1 17 1 101 LEU H 1 102 LEU H . . 5.030 4.613 4.613 4.613 . 0 0 "[ ]" 1 18 1 100 SER HB2 1 101 LEU H . . 4.740 4.692 4.692 4.692 . 0 0 "[ ]" 1 19 1 101 LEU H 1 101 LEU HB2 . . 3.780 2.531 2.531 2.531 . 0 0 "[ ]" 1 20 1 96 ASN H 1 96 ASN HD21 . . 4.490 3.173 3.173 3.173 . 0 0 "[ ]" 1 21 1 90 LEU HA 1 96 ASN HD21 . . 4.820 4.271 4.271 4.271 . 0 0 "[ ]" 1 22 1 93 SER HB2 1 96 ASN HD21 . . 4.840 2.334 2.334 2.334 . 0 0 "[ ]" 1 23 1 90 LEU MD2 1 96 ASN HD21 . . 5.020 2.702 2.702 2.702 . 0 0 "[ ]" 1 24 1 90 LEU HA 1 96 ASN HD22 . . 5.010 4.985 4.985 4.985 . 0 0 "[ ]" 1 25 1 93 SER HB2 1 96 ASN HD22 . . 5.080 3.848 3.848 3.848 . 0 0 "[ ]" 1 26 1 22 GLU HA 1 23 VAL H . . 3.210 2.204 2.204 2.204 . 0 0 "[ ]" 1 27 1 23 VAL H 1 102 LEU MD2 . . 4.090 3.811 3.811 3.811 . 0 0 "[ ]" 1 28 1 80 GLU H 1 80 GLU HG3 . . 4.720 3.990 3.990 3.990 . 0 0 "[ ]" 1 29 1 41 ARG H 1 49 GLY H . . 4.780 4.607 4.607 4.607 . 0 0 "[ ]" 1 30 1 48 ILE HB 1 49 GLY H . . 4.630 1.924 1.924 1.924 . 0 0 "[ ]" 1 31 1 93 SER HA 1 94 GLU H . . 3.090 2.230 2.230 2.230 . 0 0 "[ ]" 1 32 1 68 ARG H 1 69 GLU H . . 4.990 4.355 4.355 4.355 . 0 0 "[ ]" 1 33 1 68 ARG H 1 68 ARG HB3 . . 3.720 3.719 3.719 3.719 . 0 0 "[ ]" 1 34 1 52 ILE MD 1 68 ARG H . . 4.400 4.387 4.387 4.387 . 0 0 "[ ]" 1 35 1 77 ASN H 1 101 LEU HA . . 4.590 2.716 2.716 2.716 . 0 0 "[ ]" 1 36 1 76 ILE HA 1 77 ASN H . . 3.320 2.199 2.199 2.199 . 0 0 "[ ]" 1 37 1 76 ILE HB 1 77 ASN H . . 4.890 4.538 4.538 4.538 . 0 0 "[ ]" 1 38 1 112 GLU HA 1 113 GLY H . . 3.450 2.433 2.433 2.433 . 0 0 "[ ]" 1 39 1 112 GLU HB2 1 113 GLY H . . 4.860 4.732 4.732 4.732 . 0 0 "[ ]" 1 40 1 74 ILE H 1 103 ILE HA . . 4.200 3.561 3.561 3.561 . 0 0 "[ ]" 1 41 1 73 ILE HG13 1 74 ILE H . . 4.210 3.833 3.833 3.833 . 0 0 "[ ]" 1 42 1 24 ASP H 1 66 ARG HH12 . . 4.790 4.252 4.252 4.252 . 0 0 "[ ]" 1 43 1 22 GLU H 1 23 VAL H . . 4.860 4.443 4.443 4.443 . 0 0 "[ ]" 1 44 1 21 GLU H 1 22 GLU H . . 4.920 3.881 3.881 3.881 . 0 0 "[ ]" 1 45 1 21 GLU HA 1 22 GLU H . . 2.980 2.208 2.208 2.208 . 0 0 "[ ]" 1 46 1 22 GLU H 1 102 LEU MD2 . . 4.490 2.942 2.942 2.942 . 0 0 "[ ]" 1 47 1 74 ILE H 1 102 LEU H . . 4.690 3.526 3.526 3.526 . 0 0 "[ ]" 1 48 1 101 LEU HA 1 102 LEU H . . 3.160 2.384 2.384 2.384 . 0 0 "[ ]" 1 49 1 76 ILE HA 1 102 LEU H . . 4.680 3.441 3.441 3.441 . 0 0 "[ ]" 1 50 1 101 LEU HB2 1 102 LEU H . . 4.380 3.707 3.707 3.707 . 0 0 "[ ]" 1 51 1 102 LEU H 1 102 LEU HB3 . . 3.710 3.316 3.316 3.316 . 0 0 "[ ]" 1 52 1 101 LEU HB3 1 102 LEU H . . 3.720 2.693 2.693 2.693 . 0 0 "[ ]" 1 53 1 101 LEU MD1 1 102 LEU H . . 3.980 3.786 3.786 3.786 . 0 0 "[ ]" 1 54 1 53 SER H 1 54 GLU QB . . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1 55 1 39 CYS H 1 53 SER H . . 4.690 3.761 3.761 3.761 . 0 0 "[ ]" 1 56 1 107 GLU QG 1 108 LEU H . . 4.560 1.984 1.984 1.984 . 0 0 "[ ]" 1 57 1 107 GLU HB2 1 108 LEU H . . 4.160 4.148 4.148 4.148 . 0 0 "[ ]" 1 58 1 108 LEU H 1 108 LEU HG . . 3.280 3.255 3.255 3.255 . 0 0 "[ ]" 1 59 1 110 LEU H 1 110 LEU HG . . 3.330 2.871 2.871 2.871 . 0 0 "[ ]" 1 60 1 110 LEU H 1 110 LEU MD2 . . 4.800 4.092 4.092 4.092 . 0 0 "[ ]" 1 61 1 20 LEU H 1 20 LEU MD1 . . 4.240 3.907 3.907 3.907 . 0 0 "[ ]" 1 62 1 19 GLU HB2 1 20 LEU H . . 4.410 4.129 4.129 4.129 . 0 0 "[ ]" 1 63 1 23 VAL H 1 103 ILE H . . 5.150 4.951 4.951 4.951 . 0 0 "[ ]" 1 64 1 102 LEU HA 1 103 ILE H . . 3.290 2.341 2.341 2.341 . 0 0 "[ ]" 1 65 1 19 GLU HB3 1 20 LEU H . . 4.460 2.873 2.873 2.873 . 0 0 "[ ]" 1 66 1 102 LEU HB3 1 103 ILE H . . 4.740 3.077 3.077 3.077 . 0 0 "[ ]" 1 67 1 27 ARG H 1 98 ASN HA . . 4.530 4.224 4.224 4.224 . 0 0 "[ ]" 1 68 1 27 ARG H 1 97 LYS HA . . 4.520 3.954 3.954 3.954 . 0 0 "[ ]" 1 69 1 27 ARG H 1 27 ARG HB2 . . 3.860 2.631 2.631 2.631 . 0 0 "[ ]" 1 70 1 27 ARG H 1 97 LYS QD . . 3.640 2.487 2.487 2.487 . 0 0 "[ ]" 1 71 1 27 ARG H 1 97 LYS HG2 . . 4.320 3.125 3.125 3.125 . 0 0 "[ ]" 1 72 1 51 TYR HA 1 73 ILE H . . 4.150 2.691 2.691 2.691 . 0 0 "[ ]" 1 73 1 72 ARG HA 1 73 ILE H . . 3.430 2.229 2.229 2.229 . 0 0 "[ ]" 1 74 1 72 ARG HB2 1 73 ILE H . . 4.290 4.527 4.527 4.527 0.237 1 0 "[ ]" 1 75 1 72 ARG HG3 1 73 ILE H . . 4.200 3.713 3.713 3.713 . 0 0 "[ ]" 1 76 1 73 ILE H 1 73 ILE HG13 . . 4.300 3.684 3.684 3.684 . 0 0 "[ ]" 1 77 1 34 LEU H 1 35 GLY H . . 3.880 2.780 2.780 2.780 . 0 0 "[ ]" 1 78 1 33 LYS HA 1 34 LEU H . . 3.180 2.291 2.291 2.291 . 0 0 "[ ]" 1 79 1 34 LEU H 1 34 LEU HG . . 4.090 3.527 3.527 3.527 . 0 0 "[ ]" 1 80 1 39 CYS H 1 51 TYR H . . 3.960 2.851 2.851 2.851 . 0 0 "[ ]" 1 81 1 50 ILE H 1 51 TYR H . . 5.020 4.565 4.565 4.565 . 0 0 "[ ]" 1 82 1 40 TYR HA 1 51 TYR H . . 4.770 3.854 3.854 3.854 . 0 0 "[ ]" 1 83 1 50 ILE HA 1 51 TYR H . . 3.250 2.209 2.209 2.209 . 0 0 "[ ]" 1 84 1 92 THR H 1 92 THR HG1 . . 4.690 3.638 3.638 3.638 . 0 0 "[ ]" 1 85 1 92 THR H 1 93 SER HB2 . . 4.560 4.188 4.188 4.188 . 0 0 "[ ]" 1 86 1 91 LEU HB2 1 92 THR H . . 4.270 3.421 3.421 3.421 . 0 0 "[ ]" 1 87 1 91 LEU HB3 1 92 THR H . . 4.560 4.087 4.087 4.087 . 0 0 "[ ]" 1 88 1 91 LEU MD2 1 92 THR H . . 4.700 4.030 4.030 4.030 . 0 0 "[ ]" 1 89 1 18 LEU HA 1 19 GLU H . . 3.030 2.523 2.523 2.523 . 0 0 "[ ]" 1 90 1 19 GLU H 1 107 GLU QG . . 4.360 6.819 6.819 6.819 2.459 1 1 [+] 1 91 1 18 LEU QB 1 19 GLU H . . 3.810 2.346 2.346 2.346 . 0 0 "[ ]" 1 92 1 87 ALA MB 1 89 ALA H . . 4.650 4.714 4.714 4.714 0.064 1 0 "[ ]" 1 93 1 72 ARG H 1 104 ALA H . . 4.180 2.865 2.865 2.865 . 0 0 "[ ]" 1 94 1 73 ILE HA 1 104 ALA H . . 4.660 4.429 4.429 4.429 . 0 0 "[ ]" 1 95 1 72 ARG HB2 1 104 ALA H . . 4.490 4.317 4.317 4.317 . 0 0 "[ ]" 1 96 1 28 MET H 1 32 ASP QB . . 4.810 4.493 4.493 4.493 . 0 0 "[ ]" 1 97 1 28 MET H 1 28 MET HG3 . . 4.090 3.036 3.036 3.036 . 0 0 "[ ]" 1 98 1 28 MET H 1 28 MET QB . . 3.330 2.188 2.188 2.188 . 0 0 "[ ]" 1 99 1 27 ARG HB3 1 28 MET H . . 4.260 4.387 4.387 4.387 0.127 1 0 "[ ]" 1 100 1 28 MET H 1 60 ILE MD . . 4.420 4.028 4.028 4.028 . 0 0 "[ ]" 1 101 1 54 GLU HA 1 55 ILE H . . 2.920 2.370 2.370 2.370 . 0 0 "[ ]" 1 102 1 55 ILE H 1 55 ILE MG . . 3.870 2.593 2.593 2.593 . 0 0 "[ ]" 1 103 1 41 ARG H 1 48 ILE HG12 . . 4.610 4.790 4.790 4.790 0.180 1 0 "[ ]" 1 104 1 108 LEU HA 1 109 GLN H . . 2.740 3.633 3.633 3.633 0.893 1 1 [+] 1 105 1 108 LEU HB3 1 109 GLN H . . 3.830 2.566 2.566 2.566 . 0 0 "[ ]" 1 106 1 62 ALA H 1 63 LYS H . . 3.760 3.003 3.003 3.003 . 0 0 "[ ]" 1 107 1 61 ALA H 1 62 ALA H . . 3.800 2.868 2.868 2.868 . 0 0 "[ ]" 1 108 1 59 SER HG 1 62 ALA H . . 4.240 2.172 2.172 2.172 . 0 0 "[ ]" 1 109 1 59 SER HB3 1 62 ALA H . . 4.830 4.176 4.176 4.176 . 0 0 "[ ]" 1 110 1 10 HIS H 1 10 HIS HB3 . . 3.970 3.880 3.880 3.880 . 0 0 "[ ]" 1 111 1 9 ILE HB 1 10 HIS H . . 4.780 4.274 4.274 4.274 . 0 0 "[ ]" 1 112 1 18 LEU H 1 19 GLU H . . 4.380 4.620 4.620 4.620 0.240 1 0 "[ ]" 1 113 1 17 GLU H 1 18 LEU H . . 3.740 1.805 1.805 1.805 . 0 0 "[ ]" 1 114 1 17 GLU HG3 1 18 LEU H . . 4.470 3.260 3.260 3.260 . 0 0 "[ ]" 1 115 1 18 LEU H 1 18 LEU QB . . 3.060 2.228 2.228 2.228 . 0 0 "[ ]" 1 116 1 18 LEU H 1 18 LEU QD . . 3.980 3.246 3.246 3.246 . 0 0 "[ ]" 1 117 1 114 TRP HA 1 115 MET H . . 3.230 2.538 2.538 2.538 . 0 0 "[ ]" 1 118 1 114 TRP QB 1 115 MET H . . 4.280 4.019 4.019 4.019 . 0 0 "[ ]" 1 119 1 115 MET H 1 115 MET HG3 . . 4.420 4.383 4.383 4.383 . 0 0 "[ ]" 1 120 1 115 MET H 1 115 MET HB3 . . 3.890 2.742 2.742 2.742 . 0 0 "[ ]" 1 121 1 11 GLN HA 1 12 GLU H . . 3.110 2.387 2.387 2.387 . 0 0 "[ ]" 1 122 1 12 GLU H 1 12 GLU QG . . 4.140 4.010 4.010 4.010 . 0 0 "[ ]" 1 123 1 12 GLU H 1 12 GLU HB3 . . 3.770 3.664 3.664 3.664 . 0 0 "[ ]" 1 124 1 12 GLU H 1 12 GLU HB2 . . 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 1 125 1 78 GLY H 1 79 ILE H . . 3.860 1.956 1.956 1.956 . 0 0 "[ ]" 1 126 1 79 ILE H 1 80 GLU H . . 4.760 4.532 4.532 4.532 . 0 0 "[ ]" 1 127 1 76 ILE H 1 79 ILE H . . 3.830 2.228 2.228 2.228 . 0 0 "[ ]" 1 128 1 75 GLN HA 1 79 ILE H . . 4.810 4.045 4.045 4.045 . 0 0 "[ ]" 1 129 1 75 GLN HB2 1 79 ILE H . . 4.990 4.115 4.115 4.115 . 0 0 "[ ]" 1 130 1 75 GLN HB3 1 79 ILE H . . 4.260 2.533 2.533 2.533 . 0 0 "[ ]" 1 131 1 79 ILE H 1 79 ILE MG . . 3.720 3.687 3.687 3.687 . 0 0 "[ ]" 1 132 1 21 GLU H 1 103 ILE H . . 4.000 2.472 2.472 2.472 . 0 0 "[ ]" 1 133 1 21 GLU H 1 104 ALA HA . . 4.380 4.305 4.305 4.305 . 0 0 "[ ]" 1 134 1 21 GLU H 1 102 LEU HA . . 4.960 3.929 3.929 3.929 . 0 0 "[ ]" 1 135 1 20 LEU HB3 1 21 GLU H . . 3.910 2.326 2.326 2.326 . 0 0 "[ ]" 1 136 1 11 GLN H 1 12 GLU H . . 3.990 3.026 3.026 3.026 . 0 0 "[ ]" 1 137 1 10 HIS HA 1 11 GLN H . . 3.620 2.221 2.221 2.221 . 0 0 "[ ]" 1 138 1 11 GLN H 1 11 GLN QG . . 4.430 4.312 4.312 4.312 . 0 0 "[ ]" 1 139 1 11 GLN H 1 12 GLU HB2 . . 3.900 3.173 3.173 3.173 . 0 0 "[ ]" 1 140 1 48 ILE H 1 49 GLY H . . 3.820 3.759 3.759 3.759 . 0 0 "[ ]" 1 141 1 47 ASP H 1 48 ILE H . . 4.460 3.935 3.935 3.935 . 0 0 "[ ]" 1 142 1 47 ASP HA 1 48 ILE H . . 3.130 2.268 2.268 2.268 . 0 0 "[ ]" 1 143 1 47 ASP HB3 1 48 ILE H . . 4.580 4.124 4.124 4.124 . 0 0 "[ ]" 1 144 1 48 ILE H 1 48 ILE MD . . 3.750 2.208 2.208 2.208 . 0 0 "[ ]" 1 145 1 24 ASP H 1 25 LEU H . . 4.950 4.588 4.588 4.588 . 0 0 "[ ]" 1 146 1 105 ARG H 1 105 ARG QG . . 3.670 3.673 3.673 3.673 0.003 1 0 "[ ]" 1 147 1 19 GLU H 1 107 GLU H . . 4.530 4.529 4.529 4.529 . 0 0 "[ ]" 1 148 1 106 PRO HA 1 107 GLU H . . 2.990 2.272 2.272 2.272 . 0 0 "[ ]" 1 149 1 107 GLU H 1 107 GLU HB2 . . 3.180 2.756 2.756 2.756 . 0 0 "[ ]" 1 150 1 71 ASP H 1 71 ASP HB2 . . 4.100 2.219 2.219 2.219 . 0 0 "[ ]" 1 151 1 25 LEU H 1 99 PHE HB2 . . 4.690 3.679 3.679 3.679 . 0 0 "[ ]" 1 152 1 24 ASP QB 1 25 LEU H . . 3.920 2.825 2.825 2.825 . 0 0 "[ ]" 1 153 1 33 LYS H 1 34 LEU H . . 5.110 4.496 4.496 4.496 . 0 0 "[ ]" 1 154 1 112 GLU H 1 112 GLU HB3 . . 3.730 3.090 3.090 3.090 . 0 0 "[ ]" 1 155 1 111 ASP HA 1 112 GLU H . . 3.200 2.288 2.288 2.288 . 0 0 "[ ]" 1 156 1 112 GLU H 1 112 GLU HB2 . . 4.150 3.173 3.173 3.173 . 0 0 "[ ]" 1 157 1 81 VAL H 1 82 GLN H . . 4.830 4.648 4.648 4.648 . 0 0 "[ ]" 1 158 1 80 GLU H 1 81 VAL H . . 4.780 4.250 4.250 4.250 . 0 0 "[ ]" 1 159 1 75 GLN HA 1 81 VAL H . . 3.910 2.872 2.872 2.872 . 0 0 "[ ]" 1 160 1 80 GLU HA 1 81 VAL H . . 3.070 2.229 2.229 2.229 . 0 0 "[ ]" 1 161 1 75 GLN HG3 1 81 VAL H . . 4.340 4.243 4.243 4.243 . 0 0 "[ ]" 1 162 1 76 ILE HB 1 81 VAL H . . 5.210 5.198 5.198 5.198 . 0 0 "[ ]" 1 163 1 76 ILE H 1 81 VAL H . . 4.650 4.122 4.122 4.122 . 0 0 "[ ]" 1 164 1 33 LYS H 1 59 SER HA . . 4.840 4.775 4.775 4.775 . 0 0 "[ ]" 1 165 1 32 ASP H 1 33 LYS H . . 4.640 4.586 4.586 4.586 . 0 0 "[ ]" 1 166 1 32 ASP HA 1 33 LYS H . . 2.910 2.309 2.309 2.309 . 0 0 "[ ]" 1 167 1 32 ASP QB 1 33 LYS H . . 3.870 3.017 3.017 3.017 . 0 0 "[ ]" 1 168 1 33 LYS H 1 33 LYS HB2 . . 4.020 3.707 3.707 3.707 . 0 0 "[ ]" 1 169 1 33 LYS H 1 33 LYS HB3 . . 3.530 3.129 3.129 3.129 . 0 0 "[ ]" 1 170 1 33 LYS H 1 33 LYS QG . . 3.650 1.910 1.910 1.910 . 0 0 "[ ]" 1 171 1 110 LEU HA 1 111 ASP H . . 3.460 2.468 2.468 2.468 . 0 0 "[ ]" 1 172 1 110 LEU HB3 1 111 ASP H . . 4.800 2.555 2.555 2.555 . 0 0 "[ ]" 1 173 1 26 TYR H 1 27 ARG H . . 4.810 4.345 4.345 4.345 . 0 0 "[ ]" 1 174 1 25 LEU H 1 26 TYR H . . 4.790 4.411 4.411 4.411 . 0 0 "[ ]" 1 175 1 26 TYR H 1 26 TYR QD . . 4.220 4.158 4.158 4.158 . 0 0 "[ ]" 1 176 1 25 LEU HA 1 26 TYR H . . 3.260 2.632 2.632 2.632 . 0 0 "[ ]" 1 177 1 25 LEU HB2 1 26 TYR H . . 4.430 3.163 3.163 3.163 . 0 0 "[ ]" 1 178 1 25 LEU HG 1 26 TYR H . . 4.970 4.871 4.871 4.871 . 0 0 "[ ]" 1 179 1 25 LEU HB3 1 26 TYR H . . 4.130 2.269 2.269 2.269 . 0 0 "[ ]" 1 180 1 17 GLU H 1 17 GLU HB2 . . 4.180 4.104 4.104 4.104 . 0 0 "[ ]" 1 181 1 17 GLU H 1 17 GLU HB3 . . 3.400 3.499 3.499 3.499 0.099 1 0 "[ ]" 1 182 1 17 GLU H 1 18 LEU QB . . 4.640 3.604 3.604 3.604 . 0 0 "[ ]" 1 183 1 44 ASP HA 1 45 GLU H . . 3.170 2.275 2.275 2.275 . 0 0 "[ ]" 1 184 1 44 ASP HB2 1 45 GLU H . . 4.340 4.380 4.380 4.380 0.040 1 0 "[ ]" 1 185 1 44 ASP HB3 1 45 GLU H . . 4.430 4.116 4.116 4.116 . 0 0 "[ ]" 1 186 1 45 GLU H 1 45 GLU QG . . 3.900 2.725 2.725 2.725 . 0 0 "[ ]" 1 187 1 45 GLU H 1 45 GLU HB2 . . 4.010 2.285 2.285 2.285 . 0 0 "[ ]" 1 188 1 45 GLU H 1 45 GLU HB3 . . 3.580 3.538 3.538 3.538 . 0 0 "[ ]" 1 189 1 42 THR MG 1 43 ASP H . . 4.930 1.956 1.956 1.956 . 0 0 "[ ]" 1 190 1 51 TYR HA 1 72 ARG H . . 4.830 4.618 4.618 4.618 . 0 0 "[ ]" 1 191 1 71 ASP HA 1 72 ARG H . . 3.480 2.266 2.266 2.266 . 0 0 "[ ]" 1 192 1 71 ASP HB2 1 72 ARG H . . 4.510 4.531 4.531 4.531 0.021 1 0 "[ ]" 1 193 1 72 ARG H 1 72 ARG HB3 . . 3.920 2.524 2.524 2.524 . 0 0 "[ ]" 1 194 1 72 ARG H 1 104 ALA MB . . 4.480 3.235 3.235 3.235 . 0 0 "[ ]" 1 195 1 84 ARG H 1 84 ARG HG2 . . 4.500 4.310 4.310 4.310 . 0 0 "[ ]" 1 196 1 84 ARG H 1 84 ARG HB3 . . 3.780 2.273 2.273 2.273 . 0 0 "[ ]" 1 197 1 50 ILE MD 1 84 ARG H . . 4.530 3.425 3.425 3.425 . 0 0 "[ ]" 1 198 1 26 TYR HA 1 99 PHE H . . 4.390 3.708 3.708 3.708 . 0 0 "[ ]" 1 199 1 98 ASN HA 1 99 PHE H . . 3.100 2.281 2.281 2.281 . 0 0 "[ ]" 1 200 1 99 PHE H 1 99 PHE HB3 . . 3.920 3.444 3.444 3.444 . 0 0 "[ ]" 1 201 1 86 GLU H 1 86 GLU HG2 . . 4.240 4.362 4.362 4.362 0.122 1 0 "[ ]" 1 202 1 85 GLU HB2 1 86 GLU H . . 3.860 2.439 2.439 2.439 . 0 0 "[ ]" 1 203 1 85 GLU HB3 1 86 GLU H . . 4.260 3.363 3.363 3.363 . 0 0 "[ ]" 1 204 1 13 MET H 1 13 MET HG3 . . 4.230 3.638 3.638 3.638 . 0 0 "[ ]" 1 205 1 12 GLU QG 1 13 MET H . . 5.080 3.152 3.152 3.152 . 0 0 "[ ]" 1 206 1 13 MET H 1 13 MET HB3 . . 3.520 3.534 3.534 3.534 0.014 1 0 "[ ]" 1 207 1 14 ASP HB3 1 15 ARG H . . 4.310 2.527 2.527 2.527 . 0 0 "[ ]" 1 208 1 14 ASP HB2 1 15 ARG H . . 4.450 3.874 3.874 3.874 . 0 0 "[ ]" 1 209 1 14 ASP HA 1 15 ARG H . . 2.960 2.656 2.656 2.656 . 0 0 "[ ]" 1 210 1 15 ARG H 1 15 ARG HB3 . . 3.490 3.511 3.511 3.511 0.021 1 0 "[ ]" 1 211 1 15 ARG H 1 15 ARG QG . . 3.630 2.621 2.621 2.621 . 0 0 "[ ]" 1 212 1 69 GLU H 1 70 GLY H . . 4.910 4.513 4.513 4.513 . 0 0 "[ ]" 1 213 1 68 ARG HA 1 69 GLU H . . 3.150 2.767 2.767 2.767 . 0 0 "[ ]" 1 214 1 69 GLU H 1 69 GLU HB2 . . 3.370 2.485 2.485 2.485 . 0 0 "[ ]" 1 215 1 68 ARG HB2 1 69 GLU H . . 3.630 3.455 3.455 3.455 . 0 0 "[ ]" 1 216 1 55 ILE HB 1 69 GLU H . . 4.020 3.484 3.484 3.484 . 0 0 "[ ]" 1 217 1 55 ILE HG13 1 69 GLU H . . 5.160 4.356 4.356 4.356 . 0 0 "[ ]" 1 218 1 52 ILE MD 1 69 GLU H . . 4.680 6.164 6.164 6.164 1.484 1 1 [+] 1 219 1 50 ILE H 1 72 ARG HE . . 4.750 4.554 4.554 4.554 . 0 0 "[ ]" 1 220 1 49 GLY HA2 1 50 ILE H . . 3.510 2.199 2.199 2.199 . 0 0 "[ ]" 1 221 1 50 ILE H 1 72 ARG HG3 . . 4.520 4.251 4.251 4.251 . 0 0 "[ ]" 1 222 1 37 THR H 1 54 GLU QB . . 4.610 3.180 3.180 3.180 . 0 0 "[ ]" 1 223 1 37 THR H 1 37 THR MG . . 4.380 3.489 3.489 3.489 . 0 0 "[ ]" 1 224 1 36 LEU HB3 1 37 THR H . . 4.440 4.259 4.259 4.259 . 0 0 "[ ]" 1 225 1 113 GLY H 1 114 TRP H . . 3.890 3.197 3.197 3.197 . 0 0 "[ ]" 1 226 1 113 GLY HA3 1 114 TRP H . . 3.460 2.257 2.257 2.257 . 0 0 "[ ]" 1 227 1 114 TRP H 1 114 TRP QB . . 3.330 3.060 3.060 3.060 . 0 0 "[ ]" 1 228 1 9 ILE H 1 10 HIS H . . 4.060 3.926 3.926 3.926 . 0 0 "[ ]" 1 229 1 8 ASP HA 1 9 ILE H . . 3.210 2.261 2.261 2.261 . 0 0 "[ ]" 1 230 1 8 ASP HB2 1 9 ILE H . . 4.930 4.613 4.613 4.613 . 0 0 "[ ]" 1 231 1 8 ASP HB3 1 9 ILE H . . 4.860 4.277 4.277 4.277 . 0 0 "[ ]" 1 232 1 9 ILE H 1 9 ILE HB . . 3.590 3.556 3.556 3.556 . 0 0 "[ ]" 1 233 1 9 ILE H 1 9 ILE HG12 . . 4.250 2.272 2.272 2.272 . 0 0 "[ ]" 1 234 1 9 ILE H 1 9 ILE HG13 . . 3.940 2.378 2.378 2.378 . 0 0 "[ ]" 1 235 1 9 ILE H 1 9 ILE MD . . 3.980 3.749 3.749 3.749 . 0 0 "[ ]" 1 236 1 46 ASP H 1 47 ASP H . . 3.760 2.564 2.564 2.564 . 0 0 "[ ]" 1 237 1 52 ILE H 1 71 ASP H . . 4.860 2.435 2.435 2.435 . 0 0 "[ ]" 1 238 1 52 ILE H 1 70 GLY H . . 4.960 3.288 3.288 3.288 . 0 0 "[ ]" 1 239 1 51 TYR H 1 52 ILE H . . 4.770 4.470 4.470 4.470 . 0 0 "[ ]" 1 240 1 52 ILE H 1 72 ARG HA . . 4.420 3.839 3.839 3.839 . 0 0 "[ ]" 1 241 1 52 ILE H 1 69 GLU HA . . 4.950 4.898 4.898 4.898 . 0 0 "[ ]" 1 242 1 38 VAL QG 1 52 ILE H . . 4.720 4.915 4.915 4.915 0.195 1 0 "[ ]" 1 243 1 66 ARG HB2 1 66 ARG HE . . 4.220 3.109 3.109 3.109 . 0 0 "[ ]" 1 244 1 87 ALA H 1 88 VAL H . . 3.640 2.767 2.767 2.767 . 0 0 "[ ]" 1 245 1 86 GLU H 1 87 ALA H . . 3.530 2.846 2.846 2.846 . 0 0 "[ ]" 1 246 1 87 ALA H 1 89 ALA H . . 4.780 4.242 4.242 4.242 . 0 0 "[ ]" 1 247 1 83 ASN H 1 87 ALA H . . 4.640 3.972 3.972 3.972 . 0 0 "[ ]" 1 248 1 81 VAL HB 1 87 ALA H . . 4.640 3.954 3.954 3.954 . 0 0 "[ ]" 1 249 1 81 VAL MG1 1 87 ALA H . . 4.130 3.388 3.388 3.388 . 0 0 "[ ]" 1 250 1 39 CYS HB2 1 40 TYR H . . 4.150 4.018 4.018 4.018 . 0 0 "[ ]" 1 251 1 40 TYR H 1 40 TYR HB3 . . 3.820 3.107 3.107 3.107 . 0 0 "[ ]" 1 252 1 77 ASN H 1 78 GLY H . . 4.010 2.570 2.570 2.570 . 0 0 "[ ]" 1 253 1 76 ILE H 1 78 GLY H . . 5.050 3.057 3.057 3.057 . 0 0 "[ ]" 1 254 1 75 GLN HB2 1 78 GLY H . . 5.020 3.645 3.645 3.645 . 0 0 "[ ]" 1 255 1 75 GLN HB3 1 78 GLY H . . 4.410 2.788 2.788 2.788 . 0 0 "[ ]" 1 256 1 76 ILE MG 1 78 GLY H . . 4.920 4.376 4.376 4.376 . 0 0 "[ ]" 1 257 1 40 TYR H 1 41 ARG H . . 4.650 4.551 4.551 4.551 . 0 0 "[ ]" 1 258 1 64 ASP HB2 1 65 GLY H . . 4.420 2.679 2.679 2.679 . 0 0 "[ ]" 1 259 1 84 ARG H 1 85 GLU H . . 3.800 2.856 2.856 2.856 . 0 0 "[ ]" 1 260 1 85 GLU H 1 86 GLU H . . 3.640 3.054 3.054 3.054 . 0 0 "[ ]" 1 261 1 83 ASN HB3 1 85 GLU H . . 4.470 3.836 3.836 3.836 . 0 0 "[ ]" 1 262 1 84 ARG HB2 1 85 GLU H . . 3.950 3.822 3.822 3.822 . 0 0 "[ ]" 1 263 1 84 ARG HG2 1 85 GLU H . . 4.580 2.986 2.986 2.986 . 0 0 "[ ]" 1 264 1 84 ARG HG3 1 85 GLU H . . 4.260 3.707 3.707 3.707 . 0 0 "[ ]" 1 265 1 67 ILE H 1 67 ILE HG12 . . 3.610 3.329 3.329 3.329 . 0 0 "[ ]" 1 266 1 67 ILE H 1 67 ILE MD . . 3.910 3.313 3.313 3.313 . 0 0 "[ ]" 1 267 1 23 VAL MG2 1 67 ILE H . . 4.540 3.590 3.590 3.590 . 0 0 "[ ]" 1 268 1 66 ARG HB3 1 67 ILE H . . 4.540 3.942 3.942 3.942 . 0 0 "[ ]" 1 269 1 59 SER HA 1 61 ALA H . . 5.240 4.641 4.641 4.641 . 0 0 "[ ]" 1 270 1 59 SER HB2 1 61 ALA H . . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 1 271 1 60 ILE QG 1 61 ALA H . . 4.530 3.939 3.939 3.939 . 0 0 "[ ]" 1 272 1 25 LEU MD2 1 61 ALA H . . 4.870 3.994 3.994 3.994 . 0 0 "[ ]" 1 273 1 64 ASP H 1 65 GLY H . . 3.760 2.551 2.551 2.551 . 0 0 "[ ]" 1 274 1 64 ASP HB3 1 65 GLY H . . 4.110 1.998 1.998 1.998 . 0 0 "[ ]" 1 275 1 64 ASP HB3 1 66 ARG H . . 4.880 4.755 4.755 4.755 . 0 0 "[ ]" 1 276 1 66 ARG H 1 66 ARG HE . . 4.500 2.095 2.095 2.095 . 0 0 "[ ]" 1 277 1 66 ARG H 1 67 ILE H . . 3.590 2.745 2.745 2.745 . 0 0 "[ ]" 1 278 1 65 GLY H 1 66 ARG H . . 4.110 4.249 4.249 4.249 0.139 1 0 "[ ]" 1 279 1 66 ARG H 1 66 ARG HB3 . . 3.760 3.511 3.511 3.511 . 0 0 "[ ]" 1 280 1 66 ARG H 1 66 ARG HB2 . . 3.630 2.273 2.273 2.273 . 0 0 "[ ]" 1 281 1 23 VAL MG1 1 66 ARG H . . 4.400 2.046 2.046 2.046 . 0 0 "[ ]" 1 282 1 23 VAL MG2 1 66 ARG H . . 4.980 3.057 3.057 3.057 . 0 0 "[ ]" 1 283 1 75 GLN HG2 1 76 ILE H . . 4.550 4.028 4.028 4.028 . 0 0 "[ ]" 1 284 1 75 GLN HB2 1 76 ILE H . . 4.470 3.814 3.814 3.814 . 0 0 "[ ]" 1 285 1 76 ILE H 1 76 ILE HB . . 3.600 2.571 2.571 2.571 . 0 0 "[ ]" 1 286 1 76 ILE H 1 76 ILE HG12 . . 4.400 4.035 4.035 4.035 . 0 0 "[ ]" 1 287 1 76 ILE H 1 76 ILE MG . . 3.650 3.786 3.786 3.786 0.136 1 0 "[ ]" 1 288 1 37 THR HA 1 38 VAL H . . 3.130 2.343 2.343 2.343 . 0 0 "[ ]" 1 289 1 77 ASN H 1 100 SER H . . 4.180 3.562 3.562 3.562 . 0 0 "[ ]" 1 290 1 100 SER H 1 101 LEU H . . 4.950 4.006 4.006 4.006 . 0 0 "[ ]" 1 291 1 77 ASN HD21 1 100 SER H . . 5.310 2.578 2.578 2.578 . 0 0 "[ ]" 1 292 1 77 ASN HD22 1 100 SER H . . 4.710 2.533 2.533 2.533 . 0 0 "[ ]" 1 293 1 99 PHE HA 1 100 SER H . . 3.120 2.239 2.239 2.239 . 0 0 "[ ]" 1 294 1 77 ASN HA 1 100 SER H . . 4.410 2.628 2.628 2.628 . 0 0 "[ ]" 1 295 1 100 SER H 1 100 SER HB3 . . 3.890 3.427 3.427 3.427 . 0 0 "[ ]" 1 296 1 99 PHE HB3 1 100 SER H . . 4.290 3.974 3.974 3.974 . 0 0 "[ ]" 1 297 1 105 ARG HB2 1 105 ARG HE . . 4.550 4.480 4.480 4.480 . 0 0 "[ ]" 1 298 1 60 ILE H 1 61 ALA H . . 4.100 3.080 3.080 3.080 . 0 0 "[ ]" 1 299 1 59 SER HB2 1 60 ILE H . . 3.670 2.568 2.568 2.568 . 0 0 "[ ]" 1 300 1 60 ILE H 1 60 ILE MG . . 4.300 3.717 3.717 3.717 . 0 0 "[ ]" 1 301 1 33 LYS H 1 60 ILE H . . 4.760 4.028 4.028 4.028 . 0 0 "[ ]" 1 302 1 68 ARG HB3 1 68 ARG HE . . 4.780 4.188 4.188 4.188 . 0 0 "[ ]" 1 303 1 68 ARG HE 1 68 ARG QG . . 3.920 2.138 2.138 2.138 . 0 0 "[ ]" 1 304 1 39 CYS H 1 50 ILE HA . . 4.880 4.377 4.377 4.377 . 0 0 "[ ]" 1 305 1 43 ASP H 1 44 ASP H . . 4.290 2.726 2.726 2.726 . 0 0 "[ ]" 1 306 1 54 GLU H 1 54 GLU HG2 . . 4.310 4.169 4.169 4.169 . 0 0 "[ ]" 1 307 1 53 SER H 1 54 GLU H . . 3.360 2.348 2.348 2.348 . 0 0 "[ ]" 1 308 1 54 GLU H 1 55 ILE H . . 4.790 4.406 4.406 4.406 . 0 0 "[ ]" 1 309 1 37 THR H 1 54 GLU H . . 3.970 2.938 2.938 2.938 . 0 0 "[ ]" 1 310 1 52 ILE HA 1 54 GLU H . . 4.320 3.946 3.946 3.946 . 0 0 "[ ]" 1 311 1 62 ALA HA 1 64 ASP H . . 4.730 4.736 4.736 4.736 0.006 1 0 "[ ]" 1 312 1 63 LYS HB3 1 64 ASP H . . 4.900 3.601 3.601 3.601 . 0 0 "[ ]" 1 313 1 35 GLY H 1 36 LEU H . . 3.610 2.573 2.573 2.573 . 0 0 "[ ]" 1 314 1 36 LEU H 1 36 LEU HB2 . . 3.780 3.733 3.733 3.733 . 0 0 "[ ]" 1 315 1 34 LEU HB2 1 36 LEU H . . 4.290 3.059 3.059 3.059 . 0 0 "[ ]" 1 316 1 36 LEU H 1 36 LEU QD . . 4.010 3.002 3.002 3.002 . 0 0 "[ ]" 1 317 1 41 ARG HB2 1 41 ARG HE . . 4.990 4.448 4.448 4.448 . 0 0 "[ ]" 1 318 1 41 ARG HB3 1 41 ARG HE . . 5.100 4.410 4.410 4.410 . 0 0 "[ ]" 1 319 1 36 LEU H 1 36 LEU HG . . 3.740 1.993 1.993 1.993 . 0 0 "[ ]" 1 320 1 36 LEU H 1 36 LEU HB3 . . 4.130 3.477 3.477 3.477 . 0 0 "[ ]" 1 321 1 34 LEU QD 1 36 LEU H . . 4.880 4.457 4.457 4.457 . 0 0 "[ ]" 1 322 1 29 ASN HA 1 31 GLN H . . 5.100 3.673 3.673 3.673 . 0 0 "[ ]" 1 323 1 30 SER H 1 31 GLN H . . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 1 324 1 31 GLN H 1 32 ASP H . . 3.250 2.710 2.710 2.710 . 0 0 "[ ]" 1 325 1 30 SER HB2 1 31 GLN H . . 4.490 4.171 4.171 4.171 . 0 0 "[ ]" 1 326 1 29 ASN HB3 1 31 GLN H . . 4.420 2.367 2.367 2.367 . 0 0 "[ ]" 1 327 1 31 GLN H 1 31 GLN HB3 . . 3.490 2.909 2.909 2.909 . 0 0 "[ ]" 1 328 1 94 GLU H 1 95 GLU H . . 3.530 3.342 3.342 3.342 . 0 0 "[ ]" 1 329 1 95 GLU H 1 95 GLU HB2 . . 3.720 2.804 2.804 2.804 . 0 0 "[ ]" 1 330 1 46 ASP H 1 46 ASP HB3 . . 4.070 3.359 3.359 3.359 . 0 0 "[ ]" 1 331 1 63 LYS H 1 64 ASP H . . 4.250 2.785 2.785 2.785 . 0 0 "[ ]" 1 332 1 90 LEU H 1 91 LEU H . . 3.680 2.786 2.786 2.786 . 0 0 "[ ]" 1 333 1 89 ALA H 1 90 LEU H . . 3.740 2.943 2.943 2.943 . 0 0 "[ ]" 1 334 1 90 LEU H 1 90 LEU HB2 . . 3.520 1.981 1.981 1.981 . 0 0 "[ ]" 1 335 1 90 LEU H 1 90 LEU MD1 . . 3.730 3.592 3.592 3.592 . 0 0 "[ ]" 1 336 1 95 GLU H 1 96 ASN H . . 3.360 1.892 1.892 1.892 . 0 0 "[ ]" 1 337 1 93 SER HB2 1 96 ASN H . . 4.550 3.585 3.585 3.585 . 0 0 "[ ]" 1 338 1 95 GLU HB2 1 96 ASN H . . 4.350 2.850 2.850 2.850 . 0 0 "[ ]" 1 339 1 95 GLU HB3 1 96 ASN H . . 4.260 3.264 3.264 3.264 . 0 0 "[ ]" 1 340 1 27 ARG HE 1 99 PHE QD . . 4.460 5.779 5.779 5.779 1.319 1 1 [+] 1 341 1 27 ARG HB3 1 27 ARG HE . . 4.170 1.944 1.944 1.944 . 0 0 "[ ]" 1 342 1 33 LYS HA 1 35 GLY H . . 4.900 4.113 4.113 4.113 . 0 0 "[ ]" 1 343 1 93 SER H 1 94 GLU H . . 4.500 4.474 4.474 4.474 . 0 0 "[ ]" 1 344 1 91 LEU H 1 93 SER H . . 4.790 4.803 4.803 4.803 0.013 1 0 "[ ]" 1 345 1 92 THR H 1 93 SER H . . 3.280 2.998 2.998 2.998 . 0 0 "[ ]" 1 346 1 29 ASN H 1 30 SER H . . 5.050 4.052 4.052 4.052 . 0 0 "[ ]" 1 347 1 29 ASN H 1 31 GLN H . . 4.850 4.696 4.696 4.696 . 0 0 "[ ]" 1 348 1 29 ASN H 1 32 ASP H . . 5.020 3.864 3.864 3.864 . 0 0 "[ ]" 1 349 1 27 ARG HA 1 29 ASN H . . 4.250 3.151 3.151 3.151 . 0 0 "[ ]" 1 350 1 29 ASN H 1 29 ASN HB2 . . 3.940 2.764 2.764 2.764 . 0 0 "[ ]" 1 351 1 29 ASN H 1 29 ASN HB3 . . 3.730 3.720 3.720 3.720 . 0 0 "[ ]" 1 352 1 28 MET HG3 1 29 ASN H . . 5.110 5.166 5.166 5.166 0.056 1 0 "[ ]" 1 353 1 28 MET QB 1 29 ASN H . . 3.670 3.035 3.035 3.035 . 0 0 "[ ]" 1 354 1 27 ARG HB3 1 29 ASN H . . 4.320 3.866 3.866 3.866 . 0 0 "[ ]" 1 355 1 27 ARG HG2 1 29 ASN H . . 4.700 3.017 3.017 3.017 . 0 0 "[ ]" 1 356 1 98 ASN H 1 99 PHE H . . 4.740 4.296 4.296 4.296 . 0 0 "[ ]" 1 357 1 96 ASN HA 1 98 ASN H . . 4.220 4.211 4.211 4.211 . 0 0 "[ ]" 1 358 1 96 ASN HB3 1 98 ASN H . . 4.550 4.402 4.402 4.402 . 0 0 "[ ]" 1 359 1 97 LYS H 1 98 ASN H . . 3.400 2.415 2.415 2.415 . 0 0 "[ ]" 1 360 1 97 LYS HB3 1 98 ASN H . . 4.370 2.515 2.515 2.515 . 0 0 "[ ]" 1 361 1 97 LYS HB2 1 98 ASN H . . 3.880 3.341 3.341 3.341 . 0 0 "[ ]" 1 362 1 97 LYS HG2 1 98 ASN H . . 4.890 4.685 4.685 4.685 . 0 0 "[ ]" 1 363 1 91 LEU H 1 92 THR H . . 3.670 2.578 2.578 2.578 . 0 0 "[ ]" 1 364 1 91 LEU H 1 91 LEU HG . . 3.430 3.543 3.543 3.543 0.113 1 0 "[ ]" 1 365 1 91 LEU H 1 91 LEU HB2 . . 3.650 2.237 2.237 2.237 . 0 0 "[ ]" 1 366 1 91 LEU H 1 91 LEU HB3 . . 3.870 3.494 3.494 3.494 . 0 0 "[ ]" 1 367 1 76 ILE MD 1 91 LEU H . . 4.010 3.423 3.423 3.423 . 0 0 "[ ]" 1 368 1 74 ILE H 1 75 GLN H . . 3.450 2.150 2.150 2.150 . 0 0 "[ ]" 1 369 1 75 GLN H 1 102 LEU H . . 4.010 3.034 3.034 3.034 . 0 0 "[ ]" 1 370 1 75 GLN H 1 76 ILE H . . 4.870 4.419 4.419 4.419 . 0 0 "[ ]" 1 371 1 75 GLN H 1 102 LEU HA . . 4.810 4.547 4.547 4.547 . 0 0 "[ ]" 1 372 1 75 GLN H 1 75 GLN HG2 . . 4.840 4.476 4.476 4.476 . 0 0 "[ ]" 1 373 1 75 GLN H 1 102 LEU HB3 . . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 1 374 1 75 GLN H 1 76 ILE HG12 . . 5.040 5.078 5.078 5.078 0.038 1 0 "[ ]" 1 375 1 75 GLN H 1 102 LEU HB2 . . 4.060 2.028 2.028 2.028 . 0 0 "[ ]" 1 376 1 74 ILE QG 1 75 GLN H . . 4.280 4.062 4.062 4.062 . 0 0 "[ ]" 1 377 1 75 GLN H 1 75 GLN HG3 . . 4.870 3.292 3.292 3.292 . 0 0 "[ ]" 1 378 1 29 ASN H 1 29 ASN HD21 . . 4.960 4.800 4.800 4.800 . 0 0 "[ ]" 1 379 1 28 MET QB 1 29 ASN HD21 . . 4.740 4.227 4.227 4.227 . 0 0 "[ ]" 1 380 1 83 ASN HD22 1 86 GLU QB . . 4.580 3.308 3.308 3.308 . 0 0 "[ ]" 1 381 1 83 ASN HB2 1 83 ASN HD22 . . 4.090 3.520 3.520 3.520 . 0 0 "[ ]" 1 382 1 83 ASN HD22 1 86 GLU HG3 . . 5.140 5.096 5.096 5.096 . 0 0 "[ ]" 1 383 1 82 GLN HB2 1 83 ASN HD22 . . 5.020 2.728 2.728 2.728 . 0 0 "[ ]" 1 384 1 57 PRO HG3 1 58 ASN HD21 . . 4.970 5.274 5.274 5.274 0.304 1 0 "[ ]" 1 385 1 41 ARG H 1 42 THR H . . 4.640 1.899 1.899 1.899 . 0 0 "[ ]" 1 386 1 41 ARG HA 1 42 THR H . . 3.150 3.621 3.621 3.621 0.471 1 0 "[ ]" 1 387 1 42 THR H 1 42 THR HB . . 4.110 3.580 3.580 3.580 . 0 0 "[ ]" 1 388 1 41 ARG HB3 1 42 THR H . . 4.470 3.479 3.479 3.479 . 0 0 "[ ]" 1 389 1 42 THR H 1 48 ILE HG12 . . 4.670 3.741 3.741 3.741 . 0 0 "[ ]" 1 390 1 70 GLY H 1 71 ASP H . . 4.090 2.076 2.076 2.076 . 0 0 "[ ]" 1 391 1 56 ASP H 1 59 SER HB3 . . 5.200 4.093 4.093 4.093 . 0 0 "[ ]" 1 392 1 10 HIS HB3 1 11 GLN H . . 5.020 3.840 3.840 3.840 . 0 0 "[ ]" 1 393 1 12 GLU H 1 13 MET H . . 3.880 4.179 4.179 4.179 0.299 1 0 "[ ]" 1 394 1 15 ARG H 1 16 GLU H . . 3.690 4.661 4.661 4.661 0.971 1 1 [+] 1 395 1 20 LEU H 1 21 GLU H . . 4.870 4.494 4.494 4.494 . 0 0 "[ ]" 1 396 1 25 LEU H 1 101 LEU H . . 5.020 4.833 4.833 4.833 . 0 0 "[ ]" 1 397 1 36 LEU H 1 37 THR H . . 5.070 4.058 4.058 4.058 . 0 0 "[ ]" 1 398 1 37 THR H 1 38 VAL H . . 5.040 4.621 4.621 4.621 . 0 0 "[ ]" 1 399 1 38 VAL H 1 39 CYS H . . 5.040 4.475 4.475 4.475 . 0 0 "[ ]" 1 400 1 39 CYS H 1 40 TYR H . . 5.180 4.347 4.347 4.347 . 0 0 "[ ]" 1 401 1 45 GLU H 1 46 ASP H . . 3.600 2.328 2.328 2.328 . 0 0 "[ ]" 1 402 1 44 ASP H 1 45 GLU H . . 3.950 4.120 4.120 4.120 0.170 1 0 "[ ]" 1 403 1 37 THR H 1 53 SER H . . 5.020 4.437 4.437 4.437 . 0 0 "[ ]" 1 404 1 67 ILE H 1 68 ARG H . . 5.020 4.667 4.667 4.667 . 0 0 "[ ]" 1 405 1 85 GLU H 1 87 ALA H . . 4.930 4.315 4.315 4.315 . 0 0 "[ ]" 1 406 1 88 VAL H 1 89 ALA H . . 3.600 2.287 2.287 2.287 . 0 0 "[ ]" 1 407 1 108 LEU H 1 109 GLN H . . 3.920 3.893 3.893 3.893 . 0 0 "[ ]" 1 408 1 88 VAL HA 1 92 THR H . . 4.980 4.554 4.554 4.554 . 0 0 "[ ]" 1 409 1 77 ASN H 1 79 ILE H . . 5.330 4.047 4.047 4.047 . 0 0 "[ ]" 1 410 1 77 ASN HB3 1 79 ILE H . . 5.360 4.102 4.102 4.102 . 0 0 "[ ]" 1 411 1 115 MET HB2 1 116 ASP H . . 5.500 4.527 4.527 4.527 . 0 0 "[ ]" 1 412 1 99 PHE HB3 1 101 LEU H . . 5.380 4.174 4.174 4.174 . 0 0 "[ ]" 1 413 1 112 GLU HB3 1 113 GLY H . . 5.070 4.484 4.484 4.484 . 0 0 "[ ]" 1 414 1 112 GLU QG 1 113 GLY H . . 5.170 3.929 3.929 3.929 . 0 0 "[ ]" 1 415 1 111 ASP HB2 1 113 GLY H . . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1 416 1 113 GLY H 1 114 TRP HA . . 5.070 4.952 4.952 4.952 . 0 0 "[ ]" 1 417 1 73 ILE H 1 74 ILE QG . . 5.350 5.266 5.266 5.266 . 0 0 "[ ]" 1 418 1 51 TYR QD 1 73 ILE H . . 5.370 4.444 4.444 4.444 . 0 0 "[ ]" 1 419 1 50 ILE H 1 73 ILE H . . 5.270 4.554 4.554 4.554 . 0 0 "[ ]" 1 420 1 52 ILE H 1 73 ILE H . . 5.190 4.434 4.434 4.434 . 0 0 "[ ]" 1 421 1 73 ILE H 1 74 ILE H . . 5.320 4.599 4.599 4.599 . 0 0 "[ ]" 1 422 1 34 LEU H 1 60 ILE MD . . 5.320 4.027 4.027 4.027 . 0 0 "[ ]" 1 423 1 27 ARG QD 1 34 LEU H . . 5.500 4.813 4.813 4.813 . 0 0 "[ ]" 1 424 1 34 LEU H 1 35 GLY HA3 . . 5.200 5.199 5.199 5.199 . 0 0 "[ ]" 1 425 1 34 LEU H 1 36 LEU H . . 5.340 4.589 4.589 4.589 . 0 0 "[ ]" 1 426 1 50 ILE HG13 1 51 TYR H . . 5.440 3.891 3.891 3.891 . 0 0 "[ ]" 1 427 1 50 ILE HG12 1 51 TYR H . . 5.260 5.040 5.040 5.040 . 0 0 "[ ]" 1 428 1 19 GLU H 1 104 ALA HA . . 5.370 4.312 4.312 4.312 . 0 0 "[ ]" 1 429 1 37 THR HB 1 55 ILE H . . 5.500 5.124 5.124 5.124 . 0 0 "[ ]" 1 430 1 82 GLN H 1 86 GLU H . . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1 431 1 15 ARG H 1 15 ARG QD . . 5.070 4.333 4.333 4.333 . 0 0 "[ ]" 1 432 1 38 VAL H 1 88 VAL QG . . 5.060 3.301 3.301 3.301 . 0 0 "[ ]" 1 433 1 38 VAL H 1 53 SER H . . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 1 434 1 105 ARG HB3 1 105 ARG HE . . 4.940 4.419 4.419 4.419 . 0 0 "[ ]" 1 435 1 105 ARG HA 1 105 ARG HE . . 5.500 5.425 5.425 5.425 . 0 0 "[ ]" 1 436 1 44 ASP H 1 46 ASP H . . 5.500 5.137 5.137 5.137 . 0 0 "[ ]" 1 437 1 68 ARG H 1 71 ASP HB3 . . 5.360 3.997 3.997 3.997 . 0 0 "[ ]" 1 438 1 68 ARG H 1 71 ASP H . . 5.500 4.560 4.560 4.560 . 0 0 "[ ]" 1 439 1 48 ILE HG12 1 49 GLY H . . 5.030 4.321 4.321 4.321 . 0 0 "[ ]" 1 440 1 40 TYR QD 1 49 GLY H . . 5.500 4.982 4.982 4.982 . 0 0 "[ ]" 1 441 1 51 TYR H 1 51 TYR HB2 . . 3.900 2.544 2.544 2.544 . 0 0 "[ ]" 1 442 1 19 GLU H 1 20 LEU H . . 4.470 4.455 4.455 4.455 . 0 0 "[ ]" 1 443 1 54 GLU HG2 1 55 ILE H . . 3.630 3.752 3.752 3.752 0.122 1 0 "[ ]" 1 444 1 50 ILE H 1 51 TYR QD . . 5.260 4.760 4.760 4.760 . 0 0 "[ ]" 1 445 1 50 ILE H 1 51 TYR QE . . 5.180 4.731 4.731 4.731 . 0 0 "[ ]" 1 446 1 14 ASP H 1 15 ARG H . . 4.740 4.420 4.420 4.420 . 0 0 "[ ]" 1 447 1 17 GLU H 1 18 LEU QD . . 5.380 4.479 4.479 4.479 . 0 0 "[ ]" 1 448 1 112 GLU H 1 112 GLU QG . . 4.330 4.251 4.251 4.251 . 0 0 "[ ]" 1 449 1 16 GLU HA 1 17 GLU H . . 2.990 2.668 2.668 2.668 . 0 0 "[ ]" 1 450 1 86 GLU HG2 1 87 ALA H . . 5.270 5.130 5.130 5.130 . 0 0 "[ ]" 1 451 1 88 VAL H 1 90 LEU H . . 5.290 3.944 3.944 3.944 . 0 0 "[ ]" 1 452 1 27 ARG H 1 99 PHE QD . . 5.250 4.579 4.579 4.579 . 0 0 "[ ]" 1 453 1 41 ARG H 1 42 THR HA . . 5.250 3.983 3.983 3.983 . 0 0 "[ ]" 1 454 1 21 GLU H 1 105 ARG H . . 4.570 4.540 4.540 4.540 . 0 0 "[ ]" 1 455 1 104 ALA H 1 105 ARG H . . 5.060 4.368 4.368 4.368 . 0 0 "[ ]" 1 456 1 105 ARG H 1 106 PRO HD2 . . 5.330 5.028 5.028 5.028 . 0 0 "[ ]" 1 457 1 23 VAL H 1 24 ASP H . . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1 458 1 29 ASN HB2 1 30 SER H . . 5.500 4.502 4.502 4.502 . 0 0 "[ ]" 1 459 1 29 ASN HB3 1 30 SER H . . 5.470 3.559 3.559 3.559 . 0 0 "[ ]" 1 460 1 27 ARG H 1 28 MET H . . 4.620 3.451 3.451 3.451 . 0 0 "[ ]" 1 461 1 26 TYR QB 1 28 MET H . . 5.230 3.375 3.375 3.375 . 0 0 "[ ]" 1 462 1 31 GLN H 1 32 ASP HA . . 5.350 5.164 5.164 5.164 . 0 0 "[ ]" 1 463 1 29 ASN HB2 1 32 ASP H . . 5.340 3.819 3.819 3.819 . 0 0 "[ ]" 1 464 1 27 ARG H 1 98 ASN H . . 5.500 5.393 5.393 5.393 . 0 0 "[ ]" 1 465 1 76 ILE MD 1 91 LEU HA . . 4.380 4.363 4.363 4.363 . 0 0 "[ ]" 1 466 1 76 ILE MD 1 87 ALA HA . . 3.450 1.940 1.940 1.940 . 0 0 "[ ]" 1 467 1 76 ILE MD 1 90 LEU HB3 . . 3.140 2.378 2.378 2.378 . 0 0 "[ ]" 1 468 1 76 ILE MD 1 90 LEU H . . 4.460 4.021 4.021 4.021 . 0 0 "[ ]" 1 469 1 67 ILE MD 1 68 ARG H . . 4.720 4.788 4.788 4.788 0.068 1 0 "[ ]" 1 470 1 61 ALA HA 1 67 ILE MD . . 4.440 4.455 4.455 4.455 0.015 1 0 "[ ]" 1 471 1 67 ILE HA 1 67 ILE MD . . 3.950 3.831 3.831 3.831 . 0 0 "[ ]" 1 472 1 23 VAL HB 1 67 ILE MD . . 3.660 3.094 3.094 3.094 . 0 0 "[ ]" 1 473 1 55 ILE MG 1 69 GLU H . . 3.460 2.515 2.515 2.515 . 0 0 "[ ]" 1 474 1 55 ILE MG 1 69 GLU HA . . 4.070 3.820 3.820 3.820 . 0 0 "[ ]" 1 475 1 55 ILE MG 1 69 GLU QG . . 3.530 1.872 1.872 1.872 . 0 0 "[ ]" 1 476 1 55 ILE MG 1 69 GLU HB2 . . 4.030 3.824 3.824 3.824 . 0 0 "[ ]" 1 477 1 55 ILE MG 1 68 ARG HB3 . . 4.180 3.398 3.398 3.398 . 0 0 "[ ]" 1 478 1 55 ILE HG13 1 55 ILE MG . . 3.010 2.501 2.501 2.501 . 0 0 "[ ]" 1 479 1 55 ILE MG 1 68 ARG HA . . 3.270 2.002 2.002 2.002 . 0 0 "[ ]" 1 480 1 55 ILE MG 1 62 ALA HA . . 4.600 4.550 4.550 4.550 . 0 0 "[ ]" 1 481 1 76 ILE MD 1 90 LEU HB2 . . 3.590 2.802 2.802 2.802 . 0 0 "[ ]" 1 482 1 76 ILE MD 1 91 LEU HG . . 3.310 3.284 3.284 3.284 . 0 0 "[ ]" 1 483 1 76 ILE MD 1 91 LEU MD2 . . 2.900 1.654 1.654 1.654 . 0 0 "[ ]" 1 484 1 76 ILE H 1 76 ILE MD . . 4.360 4.131 4.131 4.131 . 0 0 "[ ]" 1 485 1 76 ILE HA 1 76 ILE MD . . 4.060 3.787 3.787 3.787 . 0 0 "[ ]" 1 486 1 76 ILE HB 1 76 ILE MD . . 3.230 2.427 2.427 2.427 . 0 0 "[ ]" 1 487 1 67 ILE HB 1 67 ILE MD . . 3.240 2.276 2.276 2.276 . 0 0 "[ ]" 1 488 1 55 ILE MG 1 68 ARG H . . 4.450 4.525 4.525 4.525 0.075 1 0 "[ ]" 1 489 1 113 GLY HA2 1 114 TRP H . . 3.490 3.489 3.489 3.489 . 0 0 "[ ]" 1 490 1 35 GLY HA3 1 56 ASP QB . . 3.920 2.509 2.509 2.509 . 0 0 "[ ]" 1 491 1 35 GLY HA3 1 56 ASP H . . 4.740 3.678 3.678 3.678 . 0 0 "[ ]" 1 492 1 25 LEU H 1 25 LEU HB2 . . 4.040 2.811 2.811 2.811 . 0 0 "[ ]" 1 493 1 25 LEU HB3 1 34 LEU QD . . 4.470 3.549 3.549 3.549 . 0 0 "[ ]" 1 494 1 103 ILE H 1 103 ILE MD . . 3.760 3.772 3.772 3.772 0.012 1 0 "[ ]" 1 495 1 103 ILE MD 1 104 ALA H . . 3.890 3.968 3.968 3.968 0.078 1 0 "[ ]" 1 496 1 71 ASP HB2 1 103 ILE MD . . 4.320 4.365 4.365 4.365 0.045 1 0 "[ ]" 1 497 1 103 ILE HB 1 103 ILE MD . . 3.310 2.080 2.080 2.080 . 0 0 "[ ]" 1 498 1 25 LEU HB3 1 99 PHE HB2 . . 4.450 3.615 3.615 3.615 . 0 0 "[ ]" 1 499 1 48 ILE MD 1 49 GLY H . . 4.810 3.695 3.695 3.695 . 0 0 "[ ]" 1 500 1 48 ILE HA 1 48 ILE MD . . 3.980 3.754 3.754 3.754 . 0 0 "[ ]" 1 501 1 48 ILE HB 1 48 ILE MD . . 3.240 2.133 2.133 2.133 . 0 0 "[ ]" 1 502 1 42 THR HA 1 48 ILE MD . . 4.710 4.114 4.114 4.114 . 0 0 "[ ]" 1 503 1 73 ILE H 1 73 ILE MD . . 4.050 1.931 1.931 1.931 . 0 0 "[ ]" 1 504 1 51 TYR HA 1 73 ILE MD . . 4.620 2.811 2.811 2.811 . 0 0 "[ ]" 1 505 1 72 ARG HA 1 73 ILE MD . . 4.800 3.226 3.226 3.226 . 0 0 "[ ]" 1 506 1 52 ILE HA 1 73 ILE MD . . 4.840 3.563 3.563 3.563 . 0 0 "[ ]" 1 507 1 73 ILE HA 1 73 ILE MD . . 3.840 2.946 2.946 2.946 . 0 0 "[ ]" 1 508 1 49 GLY HA3 1 50 ILE H . . 3.620 3.296 3.296 3.296 . 0 0 "[ ]" 1 509 1 48 ILE MG 1 49 GLY HA3 . . 4.800 3.615 3.615 3.615 . 0 0 "[ ]" 1 510 1 50 ILE MD 1 82 GLN H . . 4.570 4.439 4.439 4.439 . 0 0 "[ ]" 1 511 1 50 ILE MD 1 51 TYR H . . 4.600 4.612 4.612 4.612 0.012 1 0 "[ ]" 1 512 1 49 GLY H 1 50 ILE MD . . 3.880 2.890 2.890 2.890 . 0 0 "[ ]" 1 513 1 50 ILE HA 1 50 ILE MD . . 3.680 2.747 2.747 2.747 . 0 0 "[ ]" 1 514 1 50 ILE MD 1 81 VAL HB . . 3.670 3.685 3.685 3.685 0.015 1 0 "[ ]" 1 515 1 50 ILE HB 1 50 ILE MD . . 3.460 2.151 2.151 2.151 . 0 0 "[ ]" 1 516 1 50 ILE H 1 50 ILE MD . . 3.980 2.242 2.242 2.242 . 0 0 "[ ]" 1 517 1 50 ILE MD 1 83 ASN H . . 4.060 3.097 3.097 3.097 . 0 0 "[ ]" 1 518 1 50 ILE MD 1 82 GLN HA . . 4.300 3.799 3.799 3.799 . 0 0 "[ ]" 1 519 1 27 ARG H 1 60 ILE MD . . 4.660 4.401 4.401 4.401 . 0 0 "[ ]" 1 520 1 33 LYS H 1 60 ILE MD . . 4.460 3.479 3.479 3.479 . 0 0 "[ ]" 1 521 1 60 ILE H 1 60 ILE MD . . 3.750 3.666 3.666 3.666 . 0 0 "[ ]" 1 522 1 60 ILE MD 1 61 ALA H . . 4.570 4.624 4.624 4.624 0.054 1 0 "[ ]" 1 523 1 27 ARG HE 1 60 ILE MD . . 4.880 4.739 4.739 4.739 . 0 0 "[ ]" 1 524 1 27 ARG HA 1 60 ILE MD . . 3.320 2.249 2.249 2.249 . 0 0 "[ ]" 1 525 1 34 LEU HA 1 60 ILE MD . . 3.470 3.383 3.383 3.383 . 0 0 "[ ]" 1 526 1 60 ILE HA 1 60 ILE MD . . 3.530 3.640 3.640 3.640 0.110 1 0 "[ ]" 1 527 1 32 ASP QB 1 60 ILE MD . . 3.560 1.713 1.713 1.713 . 0 0 "[ ]" 1 528 1 60 ILE HB 1 60 ILE MD . . 3.280 2.519 2.519 2.519 . 0 0 "[ ]" 1 529 1 27 ARG HG3 1 60 ILE MD . . 3.260 1.876 1.876 1.876 . 0 0 "[ ]" 1 530 1 9 ILE HA 1 9 ILE MD . . 4.300 4.037 4.037 4.037 . 0 0 "[ ]" 1 531 1 52 ILE MD 1 53 SER H . . 4.230 3.974 3.974 3.974 . 0 0 "[ ]" 1 532 1 52 ILE H 1 52 ILE MD . . 3.900 3.746 3.746 3.746 . 0 0 "[ ]" 1 533 1 52 ILE MD 1 71 ASP H . . 4.240 4.280 4.280 4.280 0.040 1 0 "[ ]" 1 534 1 38 VAL HA 1 52 ILE MD . . 4.680 3.754 3.754 3.754 . 0 0 "[ ]" 1 535 1 52 ILE HA 1 52 ILE MD . . 3.530 2.469 2.469 2.469 . 0 0 "[ ]" 1 536 1 52 ILE MD 1 69 GLU HA . . 4.780 4.689 4.689 4.689 . 0 0 "[ ]" 1 537 1 52 ILE MD 1 71 ASP HB2 . . 3.610 3.671 3.671 3.671 0.061 1 0 "[ ]" 1 538 1 52 ILE MD 1 71 ASP HB3 . . 3.820 3.717 3.717 3.717 . 0 0 "[ ]" 1 539 1 52 ILE HB 1 52 ILE MD . . 3.480 3.137 3.137 3.137 . 0 0 "[ ]" 1 540 1 27 ARG QD 1 60 ILE MD . . 4.540 3.077 3.077 3.077 . 0 0 "[ ]" 1 541 1 27 ARG QD 1 97 LYS HA . . 4.450 4.655 4.655 4.655 0.205 1 0 "[ ]" 1 542 1 27 ARG QD 1 30 SER HA . . 4.440 2.467 2.467 2.467 . 0 0 "[ ]" 1 543 1 27 ARG QD 1 34 LEU QD . . 4.430 3.033 3.033 3.033 . 0 0 "[ ]" 1 544 1 27 ARG QD 1 32 ASP QB . . 4.660 3.296 3.296 3.296 . 0 0 "[ ]" 1 545 1 27 ARG QD 1 99 PHE QD . . 4.260 3.733 3.733 3.733 . 0 0 "[ ]" 1 546 1 27 ARG HB2 1 27 ARG QD . . 3.900 2.678 2.678 2.678 . 0 0 "[ ]" 1 547 1 27 ARG QD 1 99 PHE QE . . 4.350 1.972 1.972 1.972 . 0 0 "[ ]" 1 548 1 20 LEU HB2 1 21 GLU H . . 4.170 3.565 3.565 3.565 . 0 0 "[ ]" 1 549 1 20 LEU H 1 20 LEU HB2 . . 3.480 2.502 2.502 2.502 . 0 0 "[ ]" 1 550 1 19 GLU HA 1 20 LEU HB2 . . 4.740 4.564 4.564 4.564 . 0 0 "[ ]" 1 551 1 20 LEU HB2 1 20 LEU MD1 . . 3.240 2.321 2.321 2.321 . 0 0 "[ ]" 1 552 1 20 LEU H 1 20 LEU HB3 . . 3.850 3.675 3.675 3.675 . 0 0 "[ ]" 1 553 1 68 ARG HA 1 68 ARG HD3 . . 4.540 4.493 4.493 4.493 . 0 0 "[ ]" 1 554 1 68 ARG HB2 1 68 ARG HD3 . . 3.530 2.318 2.318 2.318 . 0 0 "[ ]" 1 555 1 51 TYR QE 1 72 ARG HD2 . . 4.000 2.256 2.256 2.256 . 0 0 "[ ]" 1 556 1 51 TYR QD 1 72 ARG HD2 . . 4.500 4.280 4.280 4.280 . 0 0 "[ ]" 1 557 1 72 ARG HA 1 72 ARG HD2 . . 4.890 4.547 4.547 4.547 . 0 0 "[ ]" 1 558 1 72 ARG HD2 1 104 ALA MB . . 4.370 4.409 4.409 4.409 0.039 1 0 "[ ]" 1 559 1 72 ARG HB2 1 72 ARG HD3 . . 3.850 2.666 2.666 2.666 . 0 0 "[ ]" 1 560 1 51 TYR QD 1 72 ARG HD3 . . 4.740 4.757 4.757 4.757 0.017 1 0 "[ ]" 1 561 1 51 TYR QE 1 72 ARG HD3 . . 4.260 3.088 3.088 3.088 . 0 0 "[ ]" 1 562 1 72 ARG HB3 1 72 ARG HD3 . . 3.930 2.307 2.307 2.307 . 0 0 "[ ]" 1 563 1 72 ARG HD3 1 104 ALA MB . . 4.050 2.987 2.987 2.987 . 0 0 "[ ]" 1 564 1 64 ASP H 1 64 ASP HB2 . . 3.660 2.368 2.368 2.368 . 0 0 "[ ]" 1 565 1 64 ASP H 1 64 ASP HB3 . . 3.690 3.196 3.196 3.196 . 0 0 "[ ]" 1 566 1 74 ILE H 1 102 LEU HB3 . . 4.410 2.781 2.781 2.781 . 0 0 "[ ]" 1 567 1 102 LEU HB2 1 103 ILE H . . 4.320 4.251 4.251 4.251 . 0 0 "[ ]" 1 568 1 102 LEU H 1 102 LEU HB2 . . 3.730 2.347 2.347 2.347 . 0 0 "[ ]" 1 569 1 101 LEU HB3 1 101 LEU MD1 . . 2.880 2.697 2.697 2.697 . 0 0 "[ ]" 1 570 1 101 LEU H 1 101 LEU HB3 . . 4.170 3.602 3.602 3.602 . 0 0 "[ ]" 1 571 1 66 ARG H 1 66 ARG HD3 . . 4.960 4.203 4.203 4.203 . 0 0 "[ ]" 1 572 1 68 ARG HA 1 68 ARG HD2 . . 4.480 4.297 4.297 4.297 . 0 0 "[ ]" 1 573 1 36 LEU HB2 1 37 THR H . . 4.720 3.737 3.737 3.737 . 0 0 "[ ]" 1 574 1 18 LEU QB 1 18 LEU QD . . 2.880 1.927 1.927 1.927 . 0 0 "[ ]" 1 575 1 79 ILE MD 1 80 GLU H . . 4.170 4.196 4.196 4.196 0.026 1 0 "[ ]" 1 576 1 79 ILE HA 1 79 ILE MD . . 3.380 3.454 3.454 3.454 0.074 1 0 "[ ]" 1 577 1 79 ILE HB 1 79 ILE MD . . 3.210 2.685 2.685 2.685 . 0 0 "[ ]" 1 578 1 17 GLU HA 1 18 LEU QB . . 4.570 5.386 5.386 5.386 0.816 1 1 [+] 1 579 1 15 ARG HA 1 15 ARG QD . . 3.840 2.927 2.927 2.927 . 0 0 "[ ]" 1 580 1 15 ARG HB2 1 15 ARG QD . . 3.480 3.096 3.096 3.096 . 0 0 "[ ]" 1 581 1 15 ARG HB3 1 15 ARG QD . . 3.330 2.110 2.110 2.110 . 0 0 "[ ]" 1 582 1 15 ARG QD 1 18 LEU QD . . 4.140 3.316 3.316 3.316 . 0 0 "[ ]" 1 583 1 105 ARG HA 1 105 ARG HD2 . . 4.720 4.184 4.184 4.184 . 0 0 "[ ]" 1 584 1 105 ARG HB3 1 105 ARG HD2 . . 4.000 3.499 3.499 3.499 . 0 0 "[ ]" 1 585 1 105 ARG HA 1 105 ARG HD3 . . 4.550 4.613 4.613 4.613 0.063 1 0 "[ ]" 1 586 1 40 TYR QE 1 84 ARG QD . . 4.430 3.974 3.974 3.974 . 0 0 "[ ]" 1 587 1 40 TYR H 1 84 ARG QD . . 4.620 3.161 3.161 3.161 . 0 0 "[ ]" 1 588 1 84 ARG QD 1 88 VAL QG . . 4.540 4.263 4.263 4.263 . 0 0 "[ ]" 1 589 1 41 ARG HA 1 41 ARG QD . . 4.870 3.348 3.348 3.348 . 0 0 "[ ]" 1 590 1 90 LEU HB2 1 91 LEU H . . 4.150 3.191 3.191 3.191 . 0 0 "[ ]" 1 591 1 90 LEU HB2 1 90 LEU MD1 . . 3.160 2.157 2.157 2.157 . 0 0 "[ ]" 1 592 1 90 LEU HB3 1 91 LEU H . . 4.350 2.971 2.971 2.971 . 0 0 "[ ]" 1 593 1 87 ALA HA 1 90 LEU HB3 . . 4.620 4.419 4.419 4.419 . 0 0 "[ ]" 1 594 1 90 LEU H 1 90 LEU HB3 . . 3.820 3.224 3.224 3.224 . 0 0 "[ ]" 1 595 1 90 LEU HB3 1 90 LEU MD1 . . 3.110 2.626 2.626 2.626 . 0 0 "[ ]" 1 596 1 40 TYR QD 1 84 ARG QD . . 4.580 2.581 2.581 2.581 . 0 0 "[ ]" 1 597 1 84 ARG HB2 1 84 ARG QD . . 3.890 2.220 2.220 2.220 . 0 0 "[ ]" 1 598 1 50 ILE MG 1 84 ARG QD . . 4.710 4.181 4.181 4.181 . 0 0 "[ ]" 1 599 1 108 LEU HB2 1 109 GLN H . . 4.200 2.555 2.555 2.555 . 0 0 "[ ]" 1 600 1 110 LEU H 1 110 LEU HB2 . . 3.170 2.164 2.164 2.164 . 0 0 "[ ]" 1 601 1 108 LEU HB2 1 108 LEU MD2 . . 3.250 3.126 3.126 3.126 . 0 0 "[ ]" 1 602 1 108 LEU HB3 1 108 LEU MD2 . . 3.350 2.043 2.043 2.043 . 0 0 "[ ]" 1 603 1 33 LYS HE2 1 33 LYS QG . . 3.400 2.036 2.036 2.036 . 0 0 "[ ]" 1 604 1 28 MET HA 1 97 LYS QE . . 4.430 3.415 3.415 3.415 . 0 0 "[ ]" 1 605 1 97 LYS HB3 1 97 LYS QE . . 4.120 3.634 3.634 3.634 . 0 0 "[ ]" 1 606 1 97 LYS QE 1 97 LYS HG3 . . 3.580 2.085 2.085 2.085 . 0 0 "[ ]" 1 607 1 63 LYS HA 1 63 LYS QE . . 4.640 4.541 4.541 4.541 . 0 0 "[ ]" 1 608 1 63 LYS HB3 1 63 LYS QE . . 4.380 3.974 3.974 3.974 . 0 0 "[ ]" 1 609 1 63 LYS H 1 63 LYS QE . . 4.990 4.303 4.303 4.303 . 0 0 "[ ]" 1 610 1 99 PHE H 1 99 PHE HB2 . . 3.760 2.146 2.146 2.146 . 0 0 "[ ]" 1 611 1 25 LEU HB2 1 99 PHE HB2 . . 3.990 1.995 1.995 1.995 . 0 0 "[ ]" 1 612 1 99 PHE HB2 1 100 SER H . . 4.780 4.582 4.582 4.582 . 0 0 "[ ]" 1 613 1 25 LEU HB2 1 99 PHE HB3 . . 4.260 3.414 3.414 3.414 . 0 0 "[ ]" 1 614 1 60 ILE HA 1 63 LYS QE . . 4.490 4.332 4.332 4.332 . 0 0 "[ ]" 1 615 1 63 LYS QE 1 63 LYS HG2 . . 3.490 2.620 2.620 2.620 . 0 0 "[ ]" 1 616 1 51 TYR HB2 1 52 ILE H . . 4.250 3.737 3.737 3.737 . 0 0 "[ ]" 1 617 1 51 TYR H 1 51 TYR HB3 . . 3.730 3.696 3.696 3.696 . 0 0 "[ ]" 1 618 1 74 ILE H 1 74 ILE MD . . 3.940 3.163 3.163 3.163 . 0 0 "[ ]" 1 619 1 74 ILE MD 1 75 GLN H . . 4.530 4.419 4.419 4.419 . 0 0 "[ ]" 1 620 1 72 ARG HE 1 74 ILE MD . . 4.120 2.201 2.201 2.201 . 0 0 "[ ]" 1 621 1 74 ILE HA 1 74 ILE MD . . 3.040 1.866 1.866 1.866 . 0 0 "[ ]" 1 622 1 73 ILE HA 1 74 ILE MD . . 4.640 3.669 3.669 3.669 . 0 0 "[ ]" 1 623 1 72 ARG HD3 1 74 ILE MD . . 3.830 3.139 3.139 3.139 . 0 0 "[ ]" 1 624 1 74 ILE HB 1 74 ILE MD . . 3.400 3.176 3.176 3.176 . 0 0 "[ ]" 1 625 1 72 ARG HD2 1 74 ILE MD . . 4.330 3.931 3.931 3.931 . 0 0 "[ ]" 1 626 1 91 LEU HB3 1 91 LEU MD1 . . 3.130 2.209 2.209 2.209 . 0 0 "[ ]" 1 627 1 29 ASN H 1 32 ASP QB . . 4.670 3.442 3.442 3.442 . 0 0 "[ ]" 1 628 1 32 ASP H 1 32 ASP QB . . 3.490 2.437 2.437 2.437 . 0 0 "[ ]" 1 629 1 27 ARG HG3 1 32 ASP QB . . 4.310 2.440 2.440 2.440 . 0 0 "[ ]" 1 630 1 27 ARG HG2 1 32 ASP QB . . 4.050 2.098 2.098 2.098 . 0 0 "[ ]" 1 631 1 27 ARG HB2 1 32 ASP QB . . 4.510 4.494 4.494 4.494 . 0 0 "[ ]" 1 632 1 68 ARG H 1 71 ASP HB2 . . 4.910 2.800 2.800 2.800 . 0 0 "[ ]" 1 633 1 56 ASP H 1 56 ASP QB . . 3.360 2.033 2.033 2.033 . 0 0 "[ ]" 1 634 1 56 ASP QB 1 59 SER HB3 . . 3.410 2.160 2.160 2.160 . 0 0 "[ ]" 1 635 1 56 ASP QB 1 57 PRO HD2 . . 3.820 2.959 2.959 2.959 . 0 0 "[ ]" 1 636 1 71 ASP H 1 71 ASP HB3 . . 3.980 3.234 3.234 3.234 . 0 0 "[ ]" 1 637 1 71 ASP HB3 1 103 ILE MD . . 3.880 3.900 3.900 3.900 0.020 1 0 "[ ]" 1 638 1 71 ASP HB3 1 72 ARG H . . 4.190 3.606 3.606 3.606 . 0 0 "[ ]" 1 639 1 103 ILE H 1 103 ILE HB . . 3.740 3.831 3.831 3.831 0.091 1 0 "[ ]" 1 640 1 103 ILE HB 1 104 ALA H . . 3.530 2.808 2.808 2.808 . 0 0 "[ ]" 1 641 1 71 ASP HB2 1 103 ILE HB . . 4.490 4.321 4.321 4.321 . 0 0 "[ ]" 1 642 1 71 ASP HB3 1 103 ILE HB . . 4.070 3.083 3.083 3.083 . 0 0 "[ ]" 1 643 1 34 LEU H 1 34 LEU HB3 . . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1 644 1 34 LEU HB3 1 35 GLY H . . 3.960 3.672 3.672 3.672 . 0 0 "[ ]" 1 645 1 34 LEU HB3 1 36 LEU H . . 4.310 3.273 3.273 3.273 . 0 0 "[ ]" 1 646 1 34 LEU HB3 1 34 LEU QD . . 3.130 2.096 2.096 2.096 . 0 0 "[ ]" 1 647 1 34 LEU H 1 34 LEU HB2 . . 3.500 2.338 2.338 2.338 . 0 0 "[ ]" 1 648 1 34 LEU HB2 1 35 GLY H . . 4.040 2.833 2.833 2.833 . 0 0 "[ ]" 1 649 1 33 LYS HA 1 34 LEU HB2 . . 4.490 4.612 4.612 4.612 0.122 1 0 "[ ]" 1 650 1 47 ASP HB2 1 48 ILE H . . 4.310 4.415 4.415 4.415 0.105 1 0 "[ ]" 1 651 1 47 ASP H 1 47 ASP HB2 . . 3.540 3.426 3.426 3.426 . 0 0 "[ ]" 1 652 1 28 MET QB 1 32 ASP QB . . 4.630 4.994 4.994 4.994 0.364 1 0 "[ ]" 1 653 1 44 ASP H 1 44 ASP HB2 . . 3.540 3.269 3.269 3.269 . 0 0 "[ ]" 1 654 1 116 ASP H 1 116 ASP HB2 . . 4.050 2.298 2.298 2.298 . 0 0 "[ ]" 1 655 1 44 ASP H 1 44 ASP HB3 . . 3.470 2.980 2.980 2.980 . 0 0 "[ ]" 1 656 1 44 ASP HA 1 44 ASP HB3 . . 3.030 3.054 3.054 3.054 0.024 1 0 "[ ]" 1 657 1 47 ASP H 1 47 ASP HB3 . . 3.530 3.232 3.232 3.232 . 0 0 "[ ]" 1 658 1 116 ASP H 1 116 ASP HB3 . . 3.990 3.515 3.515 3.515 . 0 0 "[ ]" 1 659 1 26 TYR H 1 26 TYR QB . . 3.620 2.514 2.514 2.514 . 0 0 "[ ]" 1 660 1 26 TYR QB 1 27 ARG H . . 4.260 3.392 3.392 3.392 . 0 0 "[ ]" 1 661 1 46 ASP H 1 46 ASP HB2 . . 3.680 2.062 2.062 2.062 . 0 0 "[ ]" 1 662 1 46 ASP HB2 1 47 ASP H . . 3.500 2.719 2.719 2.719 . 0 0 "[ ]" 1 663 1 14 ASP H 1 14 ASP HB3 . . 3.260 3.259 3.259 3.259 . 0 0 "[ ]" 1 664 1 14 ASP HA 1 14 ASP HB3 . . 2.940 2.909 2.909 2.909 . 0 0 "[ ]" 1 665 1 117 ASP H 1 117 ASP QB . . 3.310 2.957 2.957 2.957 . 0 0 "[ ]" 1 666 1 14 ASP H 1 14 ASP HB2 . . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1 667 1 43 ASP H 1 43 ASP HB2 . . 3.990 3.336 3.336 3.336 . 0 0 "[ ]" 1 668 1 24 ASP H 1 24 ASP QB . . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1 669 1 28 MET QB 1 29 ASN HB3 . . 4.780 5.040 5.040 5.040 0.260 1 0 "[ ]" 1 670 1 98 ASN QB 1 99 PHE H . . 4.100 3.656 3.656 3.656 . 0 0 "[ ]" 1 671 1 40 TYR HB2 1 41 ARG H . . 4.140 4.045 4.045 4.045 . 0 0 "[ ]" 1 672 1 40 TYR H 1 40 TYR HB2 . . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 1 673 1 83 ASN HB2 1 85 GLU H . . 4.550 3.668 3.668 3.668 . 0 0 "[ ]" 1 674 1 83 ASN HB2 1 84 ARG H . . 3.850 3.505 3.505 3.505 . 0 0 "[ ]" 1 675 1 83 ASN HB3 1 84 ARG H . . 3.770 3.037 3.037 3.037 . 0 0 "[ ]" 1 676 1 83 ASN HB3 1 86 GLU QB . . 4.360 3.826 3.826 3.826 . 0 0 "[ ]" 1 677 1 83 ASN HB3 1 83 ASN HD22 . . 4.080 4.123 4.123 4.123 0.043 1 0 "[ ]" 1 678 1 29 ASN HB2 1 31 GLN H . . 4.350 3.807 3.807 3.807 . 0 0 "[ ]" 1 679 1 40 TYR HB3 1 41 ARG H . . 4.410 2.746 2.746 2.746 . 0 0 "[ ]" 1 680 1 98 ASN H 1 98 ASN QB . . 3.550 2.750 2.750 2.750 . 0 0 "[ ]" 1 681 1 55 ILE HB 1 56 ASP H . . 4.990 4.594 4.594 4.594 . 0 0 "[ ]" 1 682 1 55 ILE H 1 55 ILE HB . . 3.420 2.958 2.958 2.958 . 0 0 "[ ]" 1 683 1 55 ILE HB 1 69 GLU QG . . 4.370 1.982 1.982 1.982 . 0 0 "[ ]" 1 684 1 96 ASN HB2 1 99 PHE HZ . . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1 685 1 96 ASN H 1 96 ASN HB2 . . 3.390 2.306 2.306 2.306 . 0 0 "[ ]" 1 686 1 96 ASN HB2 1 99 PHE QE . . 4.540 2.925 2.925 2.925 . 0 0 "[ ]" 1 687 1 96 ASN H 1 96 ASN HB3 . . 3.630 3.529 3.529 3.529 . 0 0 "[ ]" 1 688 1 96 ASN HB3 1 99 PHE HZ . . 4.470 4.498 4.498 4.498 0.028 1 0 "[ ]" 1 689 1 96 ASN HB3 1 99 PHE QE . . 4.560 3.708 3.708 3.708 . 0 0 "[ ]" 1 690 1 41 ARG H 1 51 TYR QD . . 4.140 4.009 4.009 4.009 . 0 0 "[ ]" 1 691 1 51 TYR QD 1 52 ILE H . . 4.280 3.987 3.987 3.987 . 0 0 "[ ]" 1 692 1 51 TYR H 1 51 TYR QD . . 3.590 2.696 2.696 2.696 . 0 0 "[ ]" 1 693 1 40 TYR HA 1 51 TYR QD . . 4.400 3.483 3.483 3.483 . 0 0 "[ ]" 1 694 1 51 TYR HA 1 51 TYR QD . . 3.860 3.039 3.039 3.039 . 0 0 "[ ]" 1 695 1 50 ILE HA 1 51 TYR QD . . 3.870 3.234 3.234 3.234 . 0 0 "[ ]" 1 696 1 49 GLY HA3 1 51 TYR QD . . 4.330 4.368 4.368 4.368 0.038 1 0 "[ ]" 1 697 1 51 TYR QD 1 72 ARG HB2 . . 4.200 2.436 2.436 2.436 . 0 0 "[ ]" 1 698 1 51 TYR QD 1 72 ARG HB3 . . 4.010 4.013 4.013 4.013 0.003 1 0 "[ ]" 1 699 1 41 ARG HG2 1 51 TYR QD . . 4.400 3.787 3.787 3.787 . 0 0 "[ ]" 1 700 1 50 ILE MG 1 51 TYR QD . . 4.800 4.510 4.510 4.510 . 0 0 "[ ]" 1 701 1 73 ILE HB 1 74 ILE H . . 4.850 4.370 4.370 4.370 . 0 0 "[ ]" 1 702 1 73 ILE H 1 73 ILE HB . . 3.470 2.139 2.139 2.139 . 0 0 "[ ]" 1 703 1 50 ILE HB 1 73 ILE HB . . 3.780 3.352 3.352 3.352 . 0 0 "[ ]" 1 704 1 72 ARG HA 1 73 ILE HB . . 4.450 4.338 4.338 4.338 . 0 0 "[ ]" 1 705 1 26 TYR QD 1 27 ARG H . . 4.150 3.345 3.345 3.345 . 0 0 "[ ]" 1 706 1 26 TYR HA 1 26 TYR QD . . 3.630 2.988 2.988 2.988 . 0 0 "[ ]" 1 707 1 26 TYR QD 1 98 ASN HA . . 3.930 3.916 3.916 3.916 . 0 0 "[ ]" 1 708 1 26 TYR QD 1 28 MET HA . . 4.740 3.451 3.451 3.451 . 0 0 "[ ]" 1 709 1 26 TYR QD 1 98 ASN QB . . 4.060 3.733 3.733 3.733 . 0 0 "[ ]" 1 710 1 26 TYR QD 1 28 MET ME . . 4.580 3.339 3.339 3.339 . 0 0 "[ ]" 1 711 1 26 TYR QD 1 97 LYS QD . . 4.500 3.271 3.271 3.271 . 0 0 "[ ]" 1 712 1 25 LEU HA 1 26 TYR QD . . 4.390 4.422 4.422 4.422 0.032 1 0 "[ ]" 1 713 1 48 ILE H 1 48 ILE HB . . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 1 714 1 67 ILE HB 1 68 ARG H . . 4.590 3.977 3.977 3.977 . 0 0 "[ ]" 1 715 1 67 ILE H 1 67 ILE HB . . 3.350 2.495 2.495 2.495 . 0 0 "[ ]" 1 716 1 61 ALA MB 1 67 ILE HB . . 4.110 2.645 2.645 2.645 . 0 0 "[ ]" 1 717 1 58 ASN H 1 58 ASN HB2 . . 3.920 2.371 2.371 2.371 . 0 0 "[ ]" 1 718 1 58 ASN HB2 1 58 ASN HD22 . . 4.130 3.447 3.447 3.447 . 0 0 "[ ]" 1 719 1 58 ASN H 1 58 ASN HB3 . . 3.800 3.426 3.426 3.426 . 0 0 "[ ]" 1 720 1 58 ASN HB3 1 58 ASN HD22 . . 3.770 4.005 4.005 4.005 0.235 1 0 "[ ]" 1 721 1 79 ILE HB 1 80 GLU H . . 4.580 4.101 4.101 4.101 . 0 0 "[ ]" 1 722 1 76 ILE H 1 79 ILE HB . . 4.240 2.925 2.925 2.925 . 0 0 "[ ]" 1 723 1 79 ILE H 1 79 ILE HB . . 3.260 2.389 2.389 2.389 . 0 0 "[ ]" 1 724 1 76 ILE HB 1 79 ILE HB . . 4.530 3.263 3.263 3.263 . 0 0 "[ ]" 1 725 1 60 ILE H 1 60 ILE HB . . 3.570 2.586 2.586 2.586 . 0 0 "[ ]" 1 726 1 60 ILE HB 1 61 ALA H . . 3.740 2.458 2.458 2.458 . 0 0 "[ ]" 1 727 1 34 LEU HA 1 60 ILE HB . . 3.320 2.230 2.230 2.230 . 0 0 "[ ]" 1 728 1 40 TYR QD 1 50 ILE HG12 . . 4.400 4.274 4.274 4.274 . 0 0 "[ ]" 1 729 1 40 TYR QD 1 41 ARG H . . 4.120 3.493 3.493 3.493 . 0 0 "[ ]" 1 730 1 40 TYR QD 1 84 ARG H . . 4.580 4.157 4.157 4.157 . 0 0 "[ ]" 1 731 1 40 TYR H 1 40 TYR QD . . 3.950 3.466 3.466 3.466 . 0 0 "[ ]" 1 732 1 40 TYR HA 1 40 TYR QD . . 3.360 2.391 2.391 2.391 . 0 0 "[ ]" 1 733 1 40 TYR QD 1 50 ILE HA . . 4.190 3.591 3.591 3.591 . 0 0 "[ ]" 1 734 1 40 TYR QD 1 84 ARG HB2 . . 4.880 2.080 2.080 2.080 . 0 0 "[ ]" 1 735 1 40 TYR QD 1 42 THR MG . . 4.320 4.073 4.073 4.073 . 0 0 "[ ]" 1 736 1 40 TYR QD 1 50 ILE HG13 . . 4.280 2.745 2.745 2.745 . 0 0 "[ ]" 1 737 1 40 TYR QD 1 48 ILE MG . . 3.990 2.823 2.823 2.823 . 0 0 "[ ]" 1 738 1 40 TYR QD 1 50 ILE MD . . 3.970 3.548 3.548 3.548 . 0 0 "[ ]" 1 739 1 42 THR HB 1 43 ASP H . . 3.380 1.939 1.939 1.939 . 0 0 "[ ]" 1 740 1 42 THR HB 1 48 ILE MD . . 4.830 5.532 5.532 5.532 0.702 1 1 [+] 1 741 1 42 THR HB 1 44 ASP H . . 4.420 4.130 4.130 4.130 . 0 0 "[ ]" 1 742 1 37 THR HB 1 53 SER H . . 4.630 4.314 4.314 4.314 . 0 0 "[ ]" 1 743 1 37 THR HB 1 38 VAL H . . 4.220 4.192 4.192 4.192 . 0 0 "[ ]" 1 744 1 37 THR H 1 37 THR HB . . 3.510 2.075 2.075 2.075 . 0 0 "[ ]" 1 745 1 37 THR HB 1 54 GLU H . . 3.470 2.621 2.621 2.621 . 0 0 "[ ]" 1 746 1 37 THR HB 1 54 GLU HG3 . . 4.240 4.041 4.041 4.041 . 0 0 "[ ]" 1 747 1 37 THR HB 1 54 GLU QB . . 3.180 1.907 1.907 1.907 . 0 0 "[ ]" 1 748 1 50 ILE HB 1 51 TYR H . . 4.620 4.396 4.396 4.396 . 0 0 "[ ]" 1 749 1 50 ILE H 1 50 ILE HB . . 3.460 2.168 2.168 2.168 . 0 0 "[ ]" 1 750 1 49 GLY HA2 1 50 ILE HB . . 4.930 4.316 4.316 4.316 . 0 0 "[ ]" 1 751 1 50 ILE HB 1 73 ILE H . . 4.650 4.209 4.209 4.209 . 0 0 "[ ]" 1 752 1 74 ILE H 1 74 ILE HB . . 3.590 2.465 2.465 2.465 . 0 0 "[ ]" 1 753 1 74 ILE HB 1 75 GLN H . . 3.560 2.530 2.530 2.530 . 0 0 "[ ]" 1 754 1 73 ILE HA 1 74 ILE HB . . 4.630 4.491 4.491 4.491 . 0 0 "[ ]" 1 755 1 74 ILE HB 1 75 GLN HG3 . . 4.720 3.718 3.718 3.718 . 0 0 "[ ]" 1 756 1 74 ILE HB 1 102 LEU MD1 . . 3.630 2.863 2.863 2.863 . 0 0 "[ ]" 1 757 1 85 GLU HG2 1 86 GLU H . . 4.790 4.628 4.628 4.628 . 0 0 "[ ]" 1 758 1 85 GLU H 1 85 GLU HG2 . . 4.080 2.448 2.448 2.448 . 0 0 "[ ]" 1 759 1 85 GLU HA 1 85 GLU HG2 . . 3.860 2.291 2.291 2.291 . 0 0 "[ ]" 1 760 1 85 GLU H 1 85 GLU HG3 . . 3.990 2.754 2.754 2.754 . 0 0 "[ ]" 1 761 1 85 GLU HG3 1 86 GLU H . . 4.800 4.511 4.511 4.511 . 0 0 "[ ]" 1 762 1 52 ILE HB 1 70 GLY H . . 3.990 2.107 2.107 2.107 . 0 0 "[ ]" 1 763 1 52 ILE H 1 52 ILE HB . . 3.570 2.470 2.470 2.470 . 0 0 "[ ]" 1 764 1 52 ILE HB 1 71 ASP H . . 3.850 1.941 1.941 1.941 . 0 0 "[ ]" 1 765 1 52 ILE HB 1 69 GLU HA . . 3.960 2.705 2.705 2.705 . 0 0 "[ ]" 1 766 1 52 ILE HB 1 71 ASP HB2 . . 4.500 2.854 2.854 2.854 . 0 0 "[ ]" 1 767 1 55 ILE HG13 1 69 GLU QG . . 3.860 3.884 3.884 3.884 0.024 1 0 "[ ]" 1 768 1 69 GLU QG 1 70 GLY H . . 4.230 4.272 4.272 4.272 0.042 1 0 "[ ]" 1 769 1 52 ILE MG 1 69 GLU QG . . 3.760 3.018 3.018 3.018 . 0 0 "[ ]" 1 770 1 99 PHE H 1 99 PHE QE . . 4.740 4.778 4.778 4.778 0.038 1 0 "[ ]" 1 771 1 27 ARG HB3 1 99 PHE QE . . 4.360 3.770 3.770 3.770 . 0 0 "[ ]" 1 772 1 99 PHE H 1 99 PHE QD . . 3.970 2.753 2.753 2.753 . 0 0 "[ ]" 1 773 1 77 ASN HD22 1 99 PHE QD . . 4.830 3.753 3.753 3.753 . 0 0 "[ ]" 1 774 1 98 ASN HA 1 99 PHE QD . . 4.630 4.271 4.271 4.271 . 0 0 "[ ]" 1 775 1 99 PHE HA 1 99 PHE QD . . 4.210 2.696 2.696 2.696 . 0 0 "[ ]" 1 776 1 91 LEU HA 1 99 PHE QD . . 4.470 3.053 3.053 3.053 . 0 0 "[ ]" 1 777 1 25 LEU HB2 1 99 PHE QD . . 4.180 3.402 3.402 3.402 . 0 0 "[ ]" 1 778 1 79 ILE MG 1 80 GLU HG2 . . 4.830 4.941 4.941 4.941 0.111 1 0 "[ ]" 1 779 1 80 GLU HA 1 80 GLU HG2 . . 3.900 2.234 2.234 2.234 . 0 0 "[ ]" 1 780 1 55 ILE H 1 69 GLU QG . . 3.740 2.219 2.219 2.219 . 0 0 "[ ]" 1 781 1 69 GLU H 1 69 GLU QG . . 3.360 2.299 2.299 2.299 . 0 0 "[ ]" 1 782 1 94 GLU H 1 94 GLU HG2 . . 4.180 4.084 4.084 4.084 . 0 0 "[ ]" 1 783 1 94 GLU HA 1 94 GLU HG2 . . 3.830 1.989 1.989 1.989 . 0 0 "[ ]" 1 784 1 94 GLU H 1 94 GLU HG3 . . 4.230 3.844 3.844 3.844 . 0 0 "[ ]" 1 785 1 80 GLU H 1 80 GLU HG2 . . 3.840 3.477 3.477 3.477 . 0 0 "[ ]" 1 786 1 80 GLU HG2 1 81 VAL H . . 4.430 4.415 4.415 4.415 . 0 0 "[ ]" 1 787 1 79 ILE HA 1 80 GLU HG2 . . 4.660 4.601 4.601 4.601 . 0 0 "[ ]" 1 788 1 54 GLU H 1 54 GLU HG3 . . 4.320 3.688 3.688 3.688 . 0 0 "[ ]" 1 789 1 83 ASN HD22 1 86 GLU HG2 . . 4.730 3.485 3.485 3.485 . 0 0 "[ ]" 1 790 1 86 GLU HA 1 86 GLU HG2 . . 3.730 3.554 3.554 3.554 . 0 0 "[ ]" 1 791 1 86 GLU HG2 1 90 LEU MD1 . . 4.110 3.916 3.916 3.916 . 0 0 "[ ]" 1 792 1 107 GLU H 1 107 GLU QG . . 3.520 4.096 4.096 4.096 0.576 1 1 [+] 1 793 1 95 GLU H 1 95 GLU QG . . 3.700 3.713 3.713 3.713 0.013 1 0 "[ ]" 1 794 1 95 GLU QG 1 96 ASN H . . 4.670 4.396 4.396 4.396 . 0 0 "[ ]" 1 795 1 16 GLU HA 1 16 GLU HG2 . . 3.460 3.543 3.543 3.543 0.083 1 0 "[ ]" 1 796 1 16 GLU H 1 16 GLU HG2 . . 3.340 1.964 1.964 1.964 . 0 0 "[ ]" 1 797 1 86 GLU HG3 1 87 ALA H . . 4.600 4.631 4.631 4.631 0.031 1 0 "[ ]" 1 798 1 19 GLU HB3 1 19 GLU HG2 . . 2.740 2.777 2.777 2.777 0.037 1 0 "[ ]" 1 799 1 19 GLU H 1 19 GLU HG2 . . 4.640 4.350 4.350 4.350 . 0 0 "[ ]" 1 800 1 19 GLU HG2 1 20 LEU H . . 4.190 3.026 3.026 3.026 . 0 0 "[ ]" 1 801 1 19 GLU HA 1 19 GLU HG2 . . 3.830 2.000 2.000 2.000 . 0 0 "[ ]" 1 802 1 19 GLU H 1 19 GLU HG3 . . 4.250 4.263 4.263 4.263 0.013 1 0 "[ ]" 1 803 1 19 GLU HG3 1 20 LEU H . . 4.440 4.466 4.466 4.466 0.026 1 0 "[ ]" 1 804 1 19 GLU HA 1 19 GLU HG3 . . 4.010 3.016 3.016 3.016 . 0 0 "[ ]" 1 805 1 22 GLU QG 1 23 VAL H . . 3.720 3.065 3.065 3.065 . 0 0 "[ ]" 1 806 1 22 GLU H 1 22 GLU QG . . 3.820 3.775 3.775 3.775 . 0 0 "[ ]" 1 807 1 22 GLU HA 1 22 GLU QG . . 3.380 2.156 2.156 2.156 . 0 0 "[ ]" 1 808 1 22 GLU QG 1 102 LEU HG . . 4.450 2.426 2.426 2.426 . 0 0 "[ ]" 1 809 1 21 GLU H 1 21 GLU HG2 . . 4.800 4.709 4.709 4.709 . 0 0 "[ ]" 1 810 1 21 GLU HG2 1 22 GLU H . . 3.980 3.909 3.909 3.909 . 0 0 "[ ]" 1 811 1 21 GLU HA 1 21 GLU HG2 . . 3.750 3.302 3.302 3.302 . 0 0 "[ ]" 1 812 1 21 GLU HG2 1 23 VAL MG2 . . 3.850 2.289 2.289 2.289 . 0 0 "[ ]" 1 813 1 21 GLU H 1 21 GLU HG3 . . 4.780 4.627 4.627 4.627 . 0 0 "[ ]" 1 814 1 21 GLU HA 1 21 GLU HG3 . . 4.100 2.288 2.288 2.288 . 0 0 "[ ]" 1 815 1 35 GLY HA2 1 59 SER HB2 . . 3.990 3.554 3.554 3.554 . 0 0 "[ ]" 1 816 1 56 ASP QB 1 59 SER HB2 . . 4.130 3.460 3.460 3.460 . 0 0 "[ ]" 1 817 1 59 SER HB2 1 60 ILE QG . . 4.600 3.900 3.900 3.900 . 0 0 "[ ]" 1 818 1 59 SER HB3 1 60 ILE H . . 4.100 3.944 3.944 3.944 . 0 0 "[ ]" 1 819 1 59 SER HB3 1 61 ALA H . . 4.910 4.735 4.735 4.735 . 0 0 "[ ]" 1 820 1 35 GLY HA2 1 59 SER HB3 . . 4.140 3.734 3.734 3.734 . 0 0 "[ ]" 1 821 1 59 SER HB3 1 62 ALA MB . . 4.590 3.332 3.332 3.332 . 0 0 "[ ]" 1 822 1 88 VAL HA 1 91 LEU H . . 4.070 3.178 3.178 3.178 . 0 0 "[ ]" 1 823 1 87 ALA HA 1 88 VAL HA . . 4.590 4.624 4.624 4.624 0.034 1 0 "[ ]" 1 824 1 88 VAL HA 1 91 LEU HB2 . . 3.700 2.389 2.389 2.389 . 0 0 "[ ]" 1 825 1 88 VAL HA 1 91 LEU HB3 . . 3.960 4.017 4.017 4.017 0.057 1 0 "[ ]" 1 826 1 88 VAL HA 1 91 LEU MD2 . . 3.440 3.454 3.454 3.454 0.014 1 0 "[ ]" 1 827 1 22 GLU HA 1 23 VAL HB . . 4.600 4.527 4.527 4.527 . 0 0 "[ ]" 1 828 1 23 VAL H 1 23 VAL HB . . 3.570 2.446 2.446 2.446 . 0 0 "[ ]" 1 829 1 38 VAL HB 1 39 CYS H . . 3.520 3.529 3.529 3.529 0.009 1 0 "[ ]" 1 830 1 38 VAL HB 1 52 ILE HA . . 5.020 3.446 3.446 3.446 . 0 0 "[ ]" 1 831 1 37 THR MG 1 38 VAL HB . . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 1 832 1 38 VAL HB 1 50 ILE MG . . 2.890 2.928 2.928 2.928 0.038 1 0 "[ ]" 1 833 1 38 VAL HB 1 51 TYR H . . 4.850 4.728 4.728 4.728 . 0 0 "[ ]" 1 834 1 75 GLN HB2 1 102 LEU HB2 . . 3.900 2.759 2.759 2.759 . 0 0 "[ ]" 1 835 1 75 GLN HB3 1 76 ILE H . . 4.100 2.585 2.585 2.585 . 0 0 "[ ]" 1 836 1 31 GLN H 1 31 GLN QG . . 3.770 3.729 3.729 3.729 . 0 0 "[ ]" 1 837 1 31 GLN QG 1 32 ASP H . . 4.850 4.514 4.514 4.514 . 0 0 "[ ]" 1 838 1 81 VAL MG2 1 82 GLN QG . . 4.510 4.321 4.321 4.321 . 0 0 "[ ]" 1 839 1 82 GLN H 1 82 GLN QG . . 3.590 3.317 3.317 3.317 . 0 0 "[ ]" 1 840 1 82 GLN HA 1 82 GLN QG . . 3.460 2.314 2.314 2.314 . 0 0 "[ ]" 1 841 1 82 GLN HB3 1 82 GLN QG . . 2.730 2.380 2.380 2.380 . 0 0 "[ ]" 1 842 1 75 GLN HG2 1 78 GLY H . . 4.990 5.072 5.072 5.072 0.082 1 0 "[ ]" 1 843 1 75 GLN HG2 1 102 LEU MD1 . . 4.390 4.418 4.418 4.418 0.028 1 0 "[ ]" 1 844 1 27 ARG H 1 97 LYS HB3 . . 4.690 4.276 4.276 4.276 . 0 0 "[ ]" 1 845 1 97 LYS HB2 1 97 LYS QE . . 4.710 3.672 3.672 3.672 . 0 0 "[ ]" 1 846 1 109 GLN H 1 109 GLN QG . . 3.840 3.868 3.868 3.868 0.028 1 0 "[ ]" 1 847 1 109 GLN QG 1 110 LEU H . . 4.040 2.116 2.116 2.116 . 0 0 "[ ]" 1 848 1 109 GLN HA 1 109 GLN QG . . 3.410 2.232 2.232 2.232 . 0 0 "[ ]" 1 849 1 54 GLU QB 1 55 ILE H . . 3.530 2.777 2.777 2.777 . 0 0 "[ ]" 1 850 1 54 GLU H 1 54 GLU QB . . 3.570 2.623 2.623 2.623 . 0 0 "[ ]" 1 851 1 33 LYS HB2 1 35 GLY HA3 . . 4.740 4.865 4.865 4.865 0.125 1 0 "[ ]" 1 852 1 33 LYS HB2 1 34 LEU H . . 4.200 2.958 2.958 2.958 . 0 0 "[ ]" 1 853 1 33 LYS HB2 1 35 GLY H . . 4.030 2.829 2.829 2.829 . 0 0 "[ ]" 1 854 1 68 ARG H 1 68 ARG HB2 . . 4.030 2.728 2.728 2.728 . 0 0 "[ ]" 1 855 1 33 LYS HB3 1 34 LEU H . . 4.420 4.013 4.013 4.013 . 0 0 "[ ]" 1 856 1 33 LYS HB3 1 35 GLY H . . 4.390 4.499 4.499 4.499 0.109 1 0 "[ ]" 1 857 1 68 ARG HB3 1 68 ARG HD2 . . 4.260 3.732 3.732 3.732 . 0 0 "[ ]" 1 858 1 68 ARG HB3 1 68 ARG HD3 . . 4.110 2.841 2.841 2.841 . 0 0 "[ ]" 1 859 1 13 MET H 1 13 MET HB2 . . 3.740 2.431 2.431 2.431 . 0 0 "[ ]" 1 860 1 72 ARG HB2 1 74 ILE MD . . 4.690 4.415 4.415 4.415 . 0 0 "[ ]" 1 861 1 72 ARG HB3 1 104 ALA MB . . 4.050 2.133 2.133 2.133 . 0 0 "[ ]" 1 862 1 21 GLU H 1 21 GLU HB3 . . 3.730 3.009 3.009 3.009 . 0 0 "[ ]" 1 863 1 21 GLU HB3 1 103 ILE MD . . 3.870 2.575 2.575 2.575 . 0 0 "[ ]" 1 864 1 51 TYR HA 1 72 ARG HB2 . . 4.810 4.510 4.510 4.510 . 0 0 "[ ]" 1 865 1 72 ARG H 1 72 ARG HB2 . . 3.640 2.564 2.564 2.564 . 0 0 "[ ]" 1 866 1 21 GLU HB2 1 103 ILE HG13 . . 4.140 4.101 4.101 4.101 . 0 0 "[ ]" 1 867 1 21 GLU H 1 21 GLU HB2 . . 3.650 3.291 3.291 3.291 . 0 0 "[ ]" 1 868 1 21 GLU HB2 1 105 ARG HB3 . . 3.360 3.099 3.099 3.099 . 0 0 "[ ]" 1 869 1 72 ARG HB3 1 104 ALA H . . 4.780 2.920 2.920 2.920 . 0 0 "[ ]" 1 870 1 57 PRO HA 1 59 SER H . . 4.450 4.488 4.488 4.488 0.038 1 0 "[ ]" 1 871 1 23 VAL MG2 1 66 ARG HB3 . . 4.320 4.104 4.104 4.104 . 0 0 "[ ]" 1 872 1 66 ARG HB3 1 66 ARG HE . . 4.380 4.225 4.225 4.225 . 0 0 "[ ]" 1 873 1 81 VAL HB 1 82 GLN H . . 4.020 2.710 2.710 2.710 . 0 0 "[ ]" 1 874 1 114 TRP QB 1 114 TRP HD1 . . 3.560 2.677 2.677 2.677 . 0 0 "[ ]" 1 875 1 114 TRP H 1 114 TRP HD1 . . 3.890 3.738 3.738 3.738 . 0 0 "[ ]" 1 876 1 114 TRP HA 1 114 TRP HD1 . . 4.380 3.568 3.568 3.568 . 0 0 "[ ]" 1 877 1 57 PRO HA 1 58 ASN H . . 3.490 3.410 3.410 3.410 . 0 0 "[ ]" 1 878 1 55 ILE MD 1 57 PRO HA . . 4.370 3.899 3.899 3.899 . 0 0 "[ ]" 1 879 1 60 ILE HA 1 63 LYS HB2 . . 3.780 2.914 2.914 2.914 . 0 0 "[ ]" 1 880 1 60 ILE HA 1 60 ILE QG . . 3.550 2.329 2.329 2.329 . 0 0 "[ ]" 1 881 1 60 ILE HA 1 63 LYS H . . 4.300 3.808 3.808 3.808 . 0 0 "[ ]" 1 882 1 53 SER H 1 53 SER HB2 . . 3.940 3.356 3.356 3.356 . 0 0 "[ ]" 1 883 1 53 SER HB2 1 54 GLU H . . 4.310 4.144 4.144 4.144 . 0 0 "[ ]" 1 884 1 39 CYS HB3 1 53 SER HB2 . . 4.820 2.727 2.727 2.727 . 0 0 "[ ]" 1 885 1 39 CYS HB2 1 53 SER HB2 . . 4.300 1.988 1.988 1.988 . 0 0 "[ ]" 1 886 1 37 THR MG 1 53 SER HB2 . . 4.240 3.268 3.268 3.268 . 0 0 "[ ]" 1 887 1 53 SER H 1 53 SER HB3 . . 3.810 2.126 2.126 2.126 . 0 0 "[ ]" 1 888 1 53 SER HB3 1 54 GLU H . . 4.110 3.143 3.143 3.143 . 0 0 "[ ]" 1 889 1 39 CYS HB2 1 53 SER HB3 . . 4.190 2.232 2.232 2.232 . 0 0 "[ ]" 1 890 1 53 SER HB3 1 54 GLU QB . . 4.910 4.548 4.548 4.548 . 0 0 "[ ]" 1 891 1 37 THR MG 1 53 SER HB3 . . 4.130 1.965 1.965 1.965 . 0 0 "[ ]" 1 892 1 52 ILE HA 1 53 SER HB3 . . 4.550 4.145 4.145 4.145 . 0 0 "[ ]" 1 893 1 81 VAL H 1 81 VAL HB . . 3.690 3.489 3.489 3.489 . 0 0 "[ ]" 1 894 1 81 VAL HB 1 83 ASN H . . 3.860 2.723 2.723 2.723 . 0 0 "[ ]" 1 895 1 63 LYS H 1 63 LYS HB3 . . 3.610 3.540 3.540 3.540 . 0 0 "[ ]" 1 896 1 63 LYS H 1 63 LYS HB2 . . 3.540 2.490 2.490 2.490 . 0 0 "[ ]" 1 897 1 63 LYS HB2 1 64 ASP H . . 4.090 2.509 2.509 2.509 . 0 0 "[ ]" 1 898 1 93 SER HB3 1 94 GLU H . . 4.220 3.615 3.615 3.615 . 0 0 "[ ]" 1 899 1 93 SER H 1 93 SER HB3 . . 3.310 3.289 3.289 3.289 . 0 0 "[ ]" 1 900 1 93 SER HB2 1 94 GLU H . . 4.640 4.541 4.541 4.541 . 0 0 "[ ]" 1 901 1 93 SER HB2 1 95 GLU H . . 4.530 4.126 4.126 4.126 . 0 0 "[ ]" 1 902 1 93 SER H 1 93 SER HB2 . . 3.250 2.204 2.204 2.204 . 0 0 "[ ]" 1 903 1 93 SER HB2 1 96 ASN HB3 . . 4.720 4.619 4.619 4.619 . 0 0 "[ ]" 1 904 1 93 SER HB2 1 96 ASN HB2 . . 4.280 3.001 3.001 3.001 . 0 0 "[ ]" 1 905 1 28 MET H 1 28 MET HG2 . . 4.390 2.909 2.909 2.909 . 0 0 "[ ]" 1 906 1 28 MET HA 1 28 MET HG2 . . 4.210 2.161 2.161 2.161 . 0 0 "[ ]" 1 907 1 106 PRO HB2 1 107 GLU H . . 3.850 3.164 3.164 3.164 . 0 0 "[ ]" 1 908 1 105 ARG QG 1 106 PRO HB2 . . 4.980 4.477 4.477 4.477 . 0 0 "[ ]" 1 909 1 57 PRO HB2 1 58 ASN H . . 4.350 3.649 3.649 3.649 . 0 0 "[ ]" 1 910 1 57 PRO HB3 1 58 ASN H . . 4.440 4.414 4.414 4.414 . 0 0 "[ ]" 1 911 1 106 PRO HB3 1 107 GLU H . . 3.830 3.647 3.647 3.647 . 0 0 "[ ]" 1 912 1 22 GLU QG 1 100 SER HB2 . . 4.570 4.417 4.417 4.417 . 0 0 "[ ]" 1 913 1 77 ASN H 1 100 SER HB2 . . 4.020 3.739 3.739 3.739 . 0 0 "[ ]" 1 914 1 100 SER H 1 100 SER HB2 . . 3.450 2.227 2.227 2.227 . 0 0 "[ ]" 1 915 1 77 ASN H 1 100 SER HB3 . . 4.040 3.612 3.612 3.612 . 0 0 "[ ]" 1 916 1 100 SER HB3 1 101 LEU H . . 4.160 4.147 4.147 4.147 . 0 0 "[ ]" 1 917 1 77 ASN HA 1 100 SER HB3 . . 3.680 2.993 2.993 2.993 . 0 0 "[ ]" 1 918 1 24 ASP QB 1 100 SER HB3 . . 4.830 4.863 4.863 4.863 0.033 1 0 "[ ]" 1 919 1 22 GLU QG 1 100 SER HB3 . . 4.490 2.810 2.810 2.810 . 0 0 "[ ]" 1 920 1 39 CYS HB3 1 40 TYR H . . 3.550 3.463 3.463 3.463 . 0 0 "[ ]" 1 921 1 39 CYS HB3 1 53 SER HB3 . . 4.670 3.404 3.404 3.404 . 0 0 "[ ]" 1 922 1 39 CYS H 1 39 CYS HB2 . . 4.210 3.272 3.272 3.272 . 0 0 "[ ]" 1 923 1 13 MET H 1 13 MET HG2 . . 4.420 4.289 4.289 4.289 . 0 0 "[ ]" 1 924 1 88 VAL H 1 88 VAL HB . . 3.180 2.256 2.256 2.256 . 0 0 "[ ]" 1 925 1 88 VAL HB 1 89 ALA H . . 3.550 2.622 2.622 2.622 . 0 0 "[ ]" 1 926 1 38 VAL QG 1 88 VAL HB . . 4.710 3.628 3.628 3.628 . 0 0 "[ ]" 1 927 1 41 ARG HB2 1 42 THR H . . 4.130 2.582 2.582 2.582 . 0 0 "[ ]" 1 928 1 41 ARG HB2 1 51 TYR QD . . 4.700 3.325 3.325 3.325 . 0 0 "[ ]" 1 929 1 41 ARG HB2 1 51 TYR QE . . 4.860 2.466 2.466 2.466 . 0 0 "[ ]" 1 930 1 27 ARG H 1 27 ARG HB3 . . 4.050 3.060 3.060 3.060 . 0 0 "[ ]" 1 931 1 27 ARG HB3 1 97 LYS HA . . 4.190 3.512 3.512 3.512 . 0 0 "[ ]" 1 932 1 41 ARG H 1 41 ARG HB3 . . 4.030 3.773 3.773 3.773 . 0 0 "[ ]" 1 933 1 41 ARG HB3 1 51 TYR QD . . 4.600 4.699 4.699 4.699 0.099 1 0 "[ ]" 1 934 1 41 ARG HB3 1 51 TYR QE . . 4.460 3.981 3.981 3.981 . 0 0 "[ ]" 1 935 1 27 ARG HB2 1 97 LYS HA . . 4.320 3.393 3.393 3.393 . 0 0 "[ ]" 1 936 1 27 ARG HB2 1 27 ARG HE . . 4.600 3.228 3.228 3.228 . 0 0 "[ ]" 1 937 1 27 ARG HB3 1 32 ASP QB . . 4.740 4.427 4.427 4.427 . 0 0 "[ ]" 1 938 1 27 ARG HB3 1 60 ILE MD . . 4.200 4.139 4.139 4.139 . 0 0 "[ ]" 1 939 1 105 ARG HB3 1 106 PRO HD2 . . 4.240 4.380 4.380 4.380 0.140 1 0 "[ ]" 1 940 1 105 ARG H 1 105 ARG HB3 . . 3.790 2.400 2.400 2.400 . 0 0 "[ ]" 1 941 1 105 ARG HB3 1 106 PRO HD3 . . 4.680 4.742 4.742 4.742 0.062 1 0 "[ ]" 1 942 1 105 ARG HB2 1 105 ARG HD3 . . 4.230 2.607 2.607 2.607 . 0 0 "[ ]" 1 943 1 105 ARG H 1 105 ARG HB2 . . 3.810 3.370 3.370 3.370 . 0 0 "[ ]" 1 944 1 105 ARG HB2 1 105 ARG HD2 . . 4.250 2.581 2.581 2.581 . 0 0 "[ ]" 1 945 1 30 SER HB3 1 31 GLN H . . 4.690 3.036 3.036 3.036 . 0 0 "[ ]" 1 946 1 15 ARG HB3 1 16 GLU HG2 . . 4.210 3.736 3.736 3.736 . 0 0 "[ ]" 1 947 1 82 GLN H 1 82 GLN HB3 . . 4.030 3.832 3.832 3.832 . 0 0 "[ ]" 1 948 1 82 GLN HB2 1 83 ASN H . . 4.290 4.016 4.016 4.016 . 0 0 "[ ]" 1 949 1 81 VAL HA 1 82 GLN HB2 . . 4.640 4.320 4.320 4.320 . 0 0 "[ ]" 1 950 1 82 GLN H 1 82 GLN HB2 . . 3.650 2.802 2.802 2.802 . 0 0 "[ ]" 1 951 1 15 ARG H 1 15 ARG HB2 . . 3.750 2.269 2.269 2.269 . 0 0 "[ ]" 1 952 1 15 ARG HB2 1 16 GLU H . . 4.140 4.080 4.080 4.080 . 0 0 "[ ]" 1 953 1 15 ARG HB3 1 15 ARG QG . . 2.660 2.566 2.566 2.566 . 0 0 "[ ]" 1 954 1 15 ARG HB3 1 16 GLU H . . 4.110 2.842 2.842 2.842 . 0 0 "[ ]" 1 955 1 23 VAL HA 1 24 ASP H . . 3.000 2.182 2.182 2.182 . 0 0 "[ ]" 1 956 1 23 VAL HA 1 66 ARG HH12 . . 4.410 3.253 3.253 3.253 . 0 0 "[ ]" 1 957 1 23 VAL HA 1 24 ASP QB . . 4.620 4.634 4.634 4.634 0.014 1 0 "[ ]" 1 958 1 19 GLU H 1 19 GLU HB2 . . 3.470 2.596 2.596 2.596 . 0 0 "[ ]" 1 959 1 22 GLU H 1 22 GLU HB3 . . 3.470 2.901 2.901 2.901 . 0 0 "[ ]" 1 960 1 19 GLU H 1 19 GLU HB3 . . 3.430 3.424 3.424 3.424 . 0 0 "[ ]" 1 961 1 95 GLU H 1 95 GLU HB3 . . 3.400 3.712 3.712 3.712 0.312 1 0 "[ ]" 1 962 1 22 GLU HB2 1 23 VAL H . . 4.560 4.628 4.628 4.628 0.068 1 0 "[ ]" 1 963 1 22 GLU H 1 22 GLU HB2 . . 3.500 2.187 2.187 2.187 . 0 0 "[ ]" 1 964 1 21 GLU HA 1 22 GLU HB2 . . 4.740 4.273 4.273 4.273 . 0 0 "[ ]" 1 965 1 84 ARG HB2 1 88 VAL QG . . 4.810 5.293 5.293 5.293 0.483 1 0 "[ ]" 1 966 1 50 ILE MD 1 84 ARG HB2 . . 4.730 3.852 3.852 3.852 . 0 0 "[ ]" 1 967 1 84 ARG H 1 84 ARG HB2 . . 3.840 2.699 2.699 2.699 . 0 0 "[ ]" 1 968 1 84 ARG HB3 1 85 GLU H . . 4.600 2.369 2.369 2.369 . 0 0 "[ ]" 1 969 1 40 TYR QE 1 84 ARG HB3 . . 4.910 3.297 3.297 3.297 . 0 0 "[ ]" 1 970 1 50 ILE MD 1 84 ARG HB3 . . 4.690 4.766 4.766 4.766 0.076 1 0 "[ ]" 1 971 1 86 GLU QB 1 87 ALA MB . . 4.490 3.855 3.855 3.855 . 0 0 "[ ]" 1 972 1 82 GLN H 1 86 GLU QB . . 4.390 3.265 3.265 3.265 . 0 0 "[ ]" 1 973 1 83 ASN H 1 86 GLU QB . . 3.590 3.210 3.210 3.210 . 0 0 "[ ]" 1 974 1 86 GLU QB 1 87 ALA H . . 3.400 2.606 2.606 2.606 . 0 0 "[ ]" 1 975 1 83 ASN HB2 1 86 GLU QB . . 4.240 2.217 2.217 2.217 . 0 0 "[ ]" 1 976 1 86 GLU H 1 86 GLU QB . . 2.970 2.022 2.022 2.022 . 0 0 "[ ]" 1 977 1 17 GLU HB2 1 18 LEU H . . 3.970 4.091 4.091 4.091 0.121 1 0 "[ ]" 1 978 1 107 GLU HB3 1 108 LEU H . . 3.890 3.790 3.790 3.790 . 0 0 "[ ]" 1 979 1 22 GLU HB3 1 102 LEU MD2 . . 4.180 4.183 4.183 4.183 0.003 1 0 "[ ]" 1 980 1 106 PRO HA 1 107 GLU HB2 . . 4.520 4.210 4.210 4.210 . 0 0 "[ ]" 1 981 1 81 VAL HA 1 82 GLN QG . . 4.150 3.690 3.690 3.690 . 0 0 "[ ]" 1 982 1 81 VAL HA 1 82 GLN H . . 2.870 2.382 2.382 2.382 . 0 0 "[ ]" 1 983 1 81 VAL HA 1 83 ASN H . . 4.120 3.868 3.868 3.868 . 0 0 "[ ]" 1 984 1 81 VAL HA 1 86 GLU HG3 . . 4.690 4.727 4.727 4.727 0.037 1 0 "[ ]" 1 985 1 81 VAL HA 1 86 GLU QB . . 4.230 3.777 3.777 3.777 . 0 0 "[ ]" 1 986 1 94 GLU H 1 94 GLU HB3 . . 3.840 3.200 3.200 3.200 . 0 0 "[ ]" 1 987 1 94 GLU HB3 1 95 GLU H . . 4.570 4.378 4.378 4.378 . 0 0 "[ ]" 1 988 1 94 GLU H 1 94 GLU HB2 . . 3.490 2.118 2.118 2.118 . 0 0 "[ ]" 1 989 1 42 THR HA 1 43 ASP H . . 3.600 3.366 3.366 3.366 . 0 0 "[ ]" 1 990 1 42 THR HA 1 44 ASP H . . 4.520 3.220 3.220 3.220 . 0 0 "[ ]" 1 991 1 92 THR HA 1 92 THR MG . . 3.370 2.641 2.641 2.641 . 0 0 "[ ]" 1 992 1 67 ILE HA 1 68 ARG H . . 3.080 2.350 2.350 2.350 . 0 0 "[ ]" 1 993 1 67 ILE HA 1 68 ARG HA . . 4.770 4.408 4.408 4.408 . 0 0 "[ ]" 1 994 1 67 ILE HA 1 67 ILE HG12 . . 3.710 2.572 2.572 2.572 . 0 0 "[ ]" 1 995 1 67 ILE HA 1 103 ILE MD . . 3.760 3.241 3.241 3.241 . 0 0 "[ ]" 1 996 1 67 ILE HA 1 68 ARG QG . . 4.290 4.304 4.304 4.304 0.014 1 0 "[ ]" 1 997 1 45 GLU HB2 1 46 ASP H . . 4.230 3.418 3.418 3.418 . 0 0 "[ ]" 1 998 1 45 GLU HB3 1 46 ASP H . . 4.220 4.098 4.098 4.098 . 0 0 "[ ]" 1 999 1 73 ILE HA 1 74 ILE H . . 3.160 2.222 2.222 2.222 . 0 0 "[ ]" 1 1000 1 73 ILE HA 1 75 GLN H . . 4.140 4.157 4.157 4.157 0.017 1 0 "[ ]" 1 1001 1 9 ILE HA 1 9 ILE HG12 . . 4.110 3.929 3.929 3.929 . 0 0 "[ ]" 1 1002 1 9 ILE HA 1 9 ILE HG13 . . 4.170 3.584 3.584 3.584 . 0 0 "[ ]" 1 1003 1 9 ILE HA 1 9 ILE MG . . 3.060 2.319 2.319 2.319 . 0 0 "[ ]" 1 1004 1 9 ILE HA 1 10 HIS H . . 3.290 2.400 2.400 2.400 . 0 0 "[ ]" 1 1005 1 109 GLN H 1 109 GLN HB2 . . 3.280 3.068 3.068 3.068 . 0 0 "[ ]" 1 1006 1 67 ILE HG13 1 68 ARG H . . 4.840 4.825 4.825 4.825 . 0 0 "[ ]" 1 1007 1 73 ILE HA 1 74 ILE QG . . 4.100 3.780 3.780 3.780 . 0 0 "[ ]" 1 1008 1 27 ARG HG2 1 30 SER HA . . 3.840 2.929 2.929 2.929 . 0 0 "[ ]" 1 1009 1 27 ARG HE 1 30 SER HA . . 4.630 2.096 2.096 2.096 . 0 0 "[ ]" 1 1010 1 85 GLU HA 1 89 ALA H . . 4.600 3.797 3.797 3.797 . 0 0 "[ ]" 1 1011 1 85 GLU HA 1 88 VAL H . . 3.890 3.439 3.439 3.439 . 0 0 "[ ]" 1 1012 1 85 GLU HA 1 87 ALA H . . 4.750 4.485 4.485 4.485 . 0 0 "[ ]" 1 1013 1 85 GLU HA 1 85 GLU HG3 . . 3.400 3.559 3.559 3.559 0.159 1 0 "[ ]" 1 1014 1 85 GLU HA 1 88 VAL HB . . 3.340 2.918 2.918 2.918 . 0 0 "[ ]" 1 1015 1 84 ARG HG2 1 85 GLU HA . . 4.410 3.235 3.235 3.235 . 0 0 "[ ]" 1 1016 1 84 ARG HG3 1 85 GLU HA . . 4.790 3.802 3.802 3.802 . 0 0 "[ ]" 1 1017 1 10 HIS HB2 1 11 GLN H . . 4.870 4.470 4.470 4.470 . 0 0 "[ ]" 1 1018 1 109 GLN H 1 109 GLN HB3 . . 3.790 3.817 3.817 3.817 0.027 1 0 "[ ]" 1 1019 1 109 GLN HB3 1 110 LEU H . . 4.110 3.534 3.534 3.534 . 0 0 "[ ]" 1 1020 1 63 LYS H 1 63 LYS HD3 . . 4.610 4.697 4.697 4.697 0.087 1 0 "[ ]" 1 1021 1 63 LYS HA 1 63 LYS HD3 . . 4.250 3.553 3.553 3.553 . 0 0 "[ ]" 1 1022 1 63 LYS HA 1 63 LYS HD2 . . 4.350 4.242 4.242 4.242 . 0 0 "[ ]" 1 1023 1 60 ILE HA 1 63 LYS HD2 . . 4.590 4.264 4.264 4.264 . 0 0 "[ ]" 1 1024 1 67 ILE HA 1 67 ILE HG13 . . 3.930 2.787 2.787 2.787 . 0 0 "[ ]" 1 1025 1 67 ILE H 1 67 ILE HG13 . . 4.270 1.933 1.933 1.933 . 0 0 "[ ]" 1 1026 1 72 ARG HE 1 74 ILE HA . . 4.710 4.155 4.155 4.155 . 0 0 "[ ]" 1 1027 1 74 ILE HA 1 74 ILE QG . . 3.630 3.056 3.056 3.056 . 0 0 "[ ]" 1 1028 1 80 GLU H 1 80 GLU HB3 . . 3.380 3.404 3.404 3.404 0.024 1 0 "[ ]" 1 1029 1 80 GLU HB3 1 81 VAL H . . 4.280 3.972 3.972 3.972 . 0 0 "[ ]" 1 1030 1 79 ILE MG 1 80 GLU HB3 . . 4.550 4.548 4.548 4.548 . 0 0 "[ ]" 1 1031 1 80 GLU H 1 80 GLU HB2 . . 3.350 2.189 2.189 2.189 . 0 0 "[ ]" 1 1032 1 33 LYS HA 1 33 LYS QD . . 4.000 4.059 4.059 4.059 0.059 1 0 "[ ]" 1 1033 1 33 LYS QD 1 35 GLY HA3 . . 4.990 2.604 2.604 2.604 . 0 0 "[ ]" 1 1034 1 33 LYS H 1 33 LYS QD . . 4.660 3.869 3.869 3.869 . 0 0 "[ ]" 1 1035 1 97 LYS HA 1 97 LYS QD . . 3.860 3.537 3.537 3.537 . 0 0 "[ ]" 1 1036 1 69 GLU HB3 1 70 GLY H . . 4.240 3.491 3.491 3.491 . 0 0 "[ ]" 1 1037 1 69 GLU H 1 69 GLU HB3 . . 3.470 3.579 3.579 3.579 0.109 1 0 "[ ]" 1 1038 1 55 ILE MG 1 69 GLU HB3 . . 4.710 4.355 4.355 4.355 . 0 0 "[ ]" 1 1039 1 69 GLU HB2 1 70 GLY H . . 4.280 4.316 4.316 4.316 0.036 1 0 "[ ]" 1 1040 1 68 ARG HA 1 69 GLU HB2 . . 5.360 5.192 5.192 5.192 . 0 0 "[ ]" 1 1041 1 52 ILE MG 1 69 GLU HB2 . . 4.670 4.717 4.717 4.717 0.047 1 0 "[ ]" 1 1042 1 76 ILE HA 1 101 LEU HG . . 4.730 4.410 4.410 4.410 . 0 0 "[ ]" 1 1043 1 99 PHE HB3 1 101 LEU HG . . 4.490 4.230 4.230 4.230 . 0 0 "[ ]" 1 1044 1 39 CYS H 1 52 ILE HA . . 4.620 3.940 3.940 3.940 . 0 0 "[ ]" 1 1045 1 52 ILE HA 1 53 SER H . . 3.220 2.179 2.179 2.179 . 0 0 "[ ]" 1 1046 1 31 GLN H 1 31 GLN HB2 . . 3.670 2.118 2.118 2.118 . 0 0 "[ ]" 1 1047 1 31 GLN HB2 1 32 ASP H . . 4.640 3.958 3.958 3.958 . 0 0 "[ ]" 1 1048 1 31 GLN HB3 1 32 ASP H . . 4.450 3.370 3.370 3.370 . 0 0 "[ ]" 1 1049 1 101 LEU HG 1 102 LEU H . . 4.720 4.782 4.782 4.782 0.062 1 0 "[ ]" 1 1050 1 101 LEU H 1 101 LEU HG . . 3.900 3.946 3.946 3.946 0.046 1 0 "[ ]" 1 1051 1 85 GLU H 1 85 GLU HB2 . . 3.450 2.488 2.488 2.488 . 0 0 "[ ]" 1 1052 1 85 GLU H 1 85 GLU HB3 . . 3.660 3.559 3.559 3.559 . 0 0 "[ ]" 1 1053 1 60 ILE H 1 60 ILE QG . . 3.700 1.944 1.944 1.944 . 0 0 "[ ]" 1 1054 1 34 LEU HA 1 60 ILE QG . . 4.140 3.295 3.295 3.295 . 0 0 "[ ]" 1 1055 1 32 ASP QB 1 60 ILE QG . . 4.380 2.031 2.031 2.031 . 0 0 "[ ]" 1 1056 1 60 ILE QG 1 60 ILE MG . . 3.100 2.500 2.500 2.500 . 0 0 "[ ]" 1 1057 1 34 LEU QD 1 60 ILE QG . . 4.910 3.547 3.547 3.547 . 0 0 "[ ]" 1 1058 1 55 ILE HG13 1 69 GLU HA . . 4.930 4.690 4.690 4.690 . 0 0 "[ ]" 1 1059 1 79 ILE HA 1 80 GLU H . . 2.790 2.306 2.306 2.306 . 0 0 "[ ]" 1 1060 1 79 ILE HA 1 80 GLU HA . . 4.540 4.295 4.295 4.295 . 0 0 "[ ]" 1 1061 1 79 ILE HA 1 80 GLU HB2 . . 4.210 4.239 4.239 4.239 0.029 1 0 "[ ]" 1 1062 1 79 ILE HA 1 79 ILE HG13 . . 3.770 3.284 3.284 3.284 . 0 0 "[ ]" 1 1063 1 79 ILE HA 1 79 ILE HG12 . . 3.590 2.212 2.212 2.212 . 0 0 "[ ]" 1 1064 1 84 ARG HA 1 87 ALA H . . 4.170 3.375 3.375 3.375 . 0 0 "[ ]" 1 1065 1 84 ARG HA 1 87 ALA MB . . 3.260 2.321 2.321 2.321 . 0 0 "[ ]" 1 1066 1 84 ARG HA 1 84 ARG HG3 . . 3.370 2.648 2.648 2.648 . 0 0 "[ ]" 1 1067 1 50 ILE HG13 1 84 ARG HA . . 4.130 2.599 2.599 2.599 . 0 0 "[ ]" 1 1068 1 50 ILE MD 1 84 ARG HA . . 3.430 3.083 3.083 3.083 . 0 0 "[ ]" 1 1069 1 55 ILE HA 1 55 ILE HG13 . . 3.910 3.517 3.517 3.517 . 0 0 "[ ]" 1 1070 1 55 ILE H 1 55 ILE HG12 . . 4.640 4.574 4.574 4.574 . 0 0 "[ ]" 1 1071 1 55 ILE HA 1 55 ILE HG12 . . 4.070 2.242 2.242 2.242 . 0 0 "[ ]" 1 1072 1 55 ILE HG12 1 69 GLU QG . . 4.700 4.261 4.261 4.261 . 0 0 "[ ]" 1 1073 1 105 ARG HA 1 106 PRO HG2 . . 4.630 4.497 4.497 4.497 . 0 0 "[ ]" 1 1074 1 105 ARG HA 1 106 PRO HG3 . . 4.710 4.222 4.222 4.222 . 0 0 "[ ]" 1 1075 1 50 ILE H 1 50 ILE HG12 . . 4.040 4.120 4.120 4.120 0.080 1 0 "[ ]" 1 1076 1 50 ILE HA 1 50 ILE HG12 . . 4.210 3.533 3.533 3.533 . 0 0 "[ ]" 1 1077 1 50 ILE HG12 1 84 ARG HA . . 4.540 2.164 2.164 2.164 . 0 0 "[ ]" 1 1078 1 50 ILE H 1 50 ILE HG13 . . 4.100 3.848 3.848 3.848 . 0 0 "[ ]" 1 1079 1 50 ILE HA 1 50 ILE HG13 . . 4.250 2.246 2.246 2.246 . 0 0 "[ ]" 1 1080 1 18 LEU QD 1 106 PRO HG2 . . 4.910 4.563 4.563 4.563 . 0 0 "[ ]" 1 1081 1 66 ARG HA 1 66 ARG HG2 . . 4.130 3.117 3.117 3.117 . 0 0 "[ ]" 1 1082 1 66 ARG H 1 66 ARG HG2 . . 4.400 4.047 4.047 4.047 . 0 0 "[ ]" 1 1083 1 27 ARG HG3 1 97 LYS HA . . 5.500 5.746 5.746 5.746 0.246 1 0 "[ ]" 1 1084 1 66 ARG H 1 66 ARG HG3 . . 4.250 2.889 2.889 2.889 . 0 0 "[ ]" 1 1085 1 66 ARG HA 1 66 ARG HG3 . . 4.220 2.170 2.170 2.170 . 0 0 "[ ]" 1 1086 1 76 ILE HA 1 76 ILE HG12 . . 3.890 2.458 2.458 2.458 . 0 0 "[ ]" 1 1087 1 52 ILE H 1 52 ILE HG12 . . 3.740 2.179 2.179 2.179 . 0 0 "[ ]" 1 1088 1 51 TYR HA 1 52 ILE HG12 . . 4.350 3.357 3.357 3.357 . 0 0 "[ ]" 1 1089 1 52 ILE HA 1 52 ILE HG12 . . 4.160 2.757 2.757 2.757 . 0 0 "[ ]" 1 1090 1 52 ILE HG12 1 71 ASP HB2 . . 4.170 3.358 3.358 3.358 . 0 0 "[ ]" 1 1091 1 73 ILE HG12 1 73 ILE MG . . 2.850 2.080 2.080 2.080 . 0 0 "[ ]" 1 1092 1 73 ILE H 1 73 ILE HG12 . . 3.880 4.128 4.128 4.128 0.248 1 0 "[ ]" 1 1093 1 84 ARG HA 1 84 ARG HG2 . . 4.070 3.703 3.703 3.703 . 0 0 "[ ]" 1 1094 1 84 ARG H 1 84 ARG HG3 . . 4.400 4.369 4.369 4.369 . 0 0 "[ ]" 1 1095 1 52 ILE H 1 52 ILE HG13 . . 3.900 3.169 3.169 3.169 . 0 0 "[ ]" 1 1096 1 52 ILE HA 1 52 ILE HG13 . . 4.180 3.804 3.804 3.804 . 0 0 "[ ]" 1 1097 1 52 ILE HG13 1 71 ASP HB2 . . 4.460 1.981 1.981 1.981 . 0 0 "[ ]" 1 1098 1 76 ILE H 1 76 ILE HG13 . . 4.720 2.998 2.998 2.998 . 0 0 "[ ]" 1 1099 1 76 ILE HA 1 76 ILE HG13 . . 4.200 2.983 2.983 2.983 . 0 0 "[ ]" 1 1100 1 73 ILE HA 1 73 ILE HG13 . . 3.920 2.162 2.162 2.162 . 0 0 "[ ]" 1 1101 1 57 PRO HG2 1 58 ASN H . . 4.750 3.268 3.268 3.268 . 0 0 "[ ]" 1 1102 1 57 PRO HG3 1 58 ASN H . . 4.650 4.358 4.358 4.358 . 0 0 "[ ]" 1 1103 1 90 LEU H 1 90 LEU HG . . 3.460 3.521 3.521 3.521 0.061 1 0 "[ ]" 1 1104 1 90 LEU HA 1 90 LEU HG . . 3.810 2.273 2.273 2.273 . 0 0 "[ ]" 1 1105 1 20 LEU H 1 20 LEU HG . . 3.430 2.964 2.964 2.964 . 0 0 "[ ]" 1 1106 1 20 LEU HA 1 20 LEU HG . . 4.080 2.975 2.975 2.975 . 0 0 "[ ]" 1 1107 1 41 ARG H 1 41 ARG HG2 . . 4.380 3.738 3.738 3.738 . 0 0 "[ ]" 1 1108 1 41 ARG HG2 1 42 THR H . . 4.550 4.748 4.748 4.748 0.198 1 0 "[ ]" 1 1109 1 41 ARG HA 1 41 ARG HG2 . . 3.720 2.219 2.219 2.219 . 0 0 "[ ]" 1 1110 1 48 ILE H 1 48 ILE HG12 . . 3.590 3.631 3.631 3.631 0.041 1 0 "[ ]" 1 1111 1 41 ARG H 1 41 ARG HG3 . . 4.580 3.739 3.739 3.739 . 0 0 "[ ]" 1 1112 1 75 GLN H 1 102 LEU HG . . 4.850 4.460 4.460 4.460 . 0 0 "[ ]" 1 1113 1 102 LEU HA 1 102 LEU HG . . 4.130 2.552 2.552 2.552 . 0 0 "[ ]" 1 1114 1 102 LEU H 1 102 LEU HG . . 4.720 3.942 3.942 3.942 . 0 0 "[ ]" 1 1115 1 34 LEU HG 1 36 LEU H . . 4.630 5.146 5.146 5.146 0.516 1 1 [+] 1 1116 1 34 LEU HB2 1 34 LEU HG . . 3.000 2.331 2.331 2.331 . 0 0 "[ ]" 1 1117 1 48 ILE HG13 1 49 GLY H . . 4.820 4.400 4.400 4.400 . 0 0 "[ ]" 1 1118 1 48 ILE H 1 48 ILE HG13 . . 3.620 2.252 2.252 2.252 . 0 0 "[ ]" 1 1119 1 42 THR HA 1 48 ILE HG13 . . 4.670 2.905 2.905 2.905 . 0 0 "[ ]" 1 1120 1 48 ILE HA 1 48 ILE HG13 . . 4.080 2.475 2.475 2.475 . 0 0 "[ ]" 1 1121 1 72 ARG HG2 1 73 ILE H . . 4.290 3.348 3.348 3.348 . 0 0 "[ ]" 1 1122 1 72 ARG HE 1 72 ARG HG2 . . 4.230 2.169 2.169 2.169 . 0 0 "[ ]" 1 1123 1 72 ARG HA 1 72 ARG HG3 . . 4.150 2.550 2.550 2.550 . 0 0 "[ ]" 1 1124 1 93 SER HA 1 94 GLU HB2 . . 4.520 4.175 4.175 4.175 . 0 0 "[ ]" 1 1125 1 66 ARG HA 1 66 ARG HD3 . . 4.600 4.630 4.630 4.630 0.030 1 0 "[ ]" 1 1126 1 66 ARG HA 1 66 ARG HD2 . . 4.540 4.480 4.480 4.480 . 0 0 "[ ]" 1 1127 1 23 VAL MG1 1 66 ARG HA . . 4.830 4.453 4.453 4.453 . 0 0 "[ ]" 1 1128 1 23 VAL MG2 1 66 ARG HA . . 4.930 4.981 4.981 4.981 0.051 1 0 "[ ]" 1 1129 1 86 GLU HA 1 89 ALA H . . 4.070 3.013 3.013 3.013 . 0 0 "[ ]" 1 1130 1 86 GLU HA 1 86 GLU HG3 . . 3.650 2.777 2.777 2.777 . 0 0 "[ ]" 1 1131 1 86 GLU HA 1 89 ALA MB . . 3.260 2.002 2.002 2.002 . 0 0 "[ ]" 1 1132 1 86 GLU HA 1 87 ALA MB . . 4.970 4.987 4.987 4.987 0.017 1 0 "[ ]" 1 1133 1 86 GLU HA 1 90 LEU MD1 . . 4.480 4.527 4.527 4.527 0.047 1 0 "[ ]" 1 1134 1 85 GLU HB3 1 86 GLU HA . . 4.620 4.177 4.177 4.177 . 0 0 "[ ]" 1 1135 1 69 GLU HA 1 70 GLY H . . 3.050 2.207 2.207 2.207 . 0 0 "[ ]" 1 1136 1 69 GLU HA 1 71 ASP H . . 4.140 3.606 3.606 3.606 . 0 0 "[ ]" 1 1137 1 68 ARG HA 1 69 GLU HA . . 4.220 4.314 4.314 4.314 0.094 1 0 "[ ]" 1 1138 1 15 ARG QG 1 16 GLU H . . 4.210 4.052 4.052 4.052 . 0 0 "[ ]" 1 1139 1 79 ILE H 1 79 ILE HG13 . . 3.650 3.115 3.115 3.115 . 0 0 "[ ]" 1 1140 1 74 ILE H 1 74 ILE QG . . 3.430 2.821 2.821 2.821 . 0 0 "[ ]" 1 1141 1 79 ILE HG12 1 80 GLU H . . 4.650 4.101 4.101 4.101 . 0 0 "[ ]" 1 1142 1 79 ILE H 1 79 ILE HG12 . . 3.730 3.620 3.620 3.620 . 0 0 "[ ]" 1 1143 1 38 VAL HA 1 39 CYS H . . 3.240 2.460 2.460 2.460 . 0 0 "[ ]" 1 1144 1 38 VAL HA 1 53 SER H . . 3.710 2.181 2.181 2.181 . 0 0 "[ ]" 1 1145 1 38 VAL HA 1 52 ILE HA . . 3.680 2.305 2.305 2.305 . 0 0 "[ ]" 1 1146 1 38 VAL HA 1 54 GLU H . . 4.950 4.160 4.160 4.160 . 0 0 "[ ]" 1 1147 1 63 LYS HA 1 63 LYS HB3 . . 2.970 2.467 2.467 2.467 . 0 0 "[ ]" 1 1148 1 63 LYS HA 1 63 LYS HG2 . . 3.070 2.337 2.337 2.337 . 0 0 "[ ]" 1 1149 1 68 ARG H 1 68 ARG QG . . 3.740 3.641 3.641 3.641 . 0 0 "[ ]" 1 1150 1 68 ARG HA 1 68 ARG QG . . 3.250 2.198 2.198 2.198 . 0 0 "[ ]" 1 1151 1 34 LEU HA 1 60 ILE H . . 4.070 3.701 3.701 3.701 . 0 0 "[ ]" 1 1152 1 34 LEU HA 1 34 LEU HG . . 3.880 3.742 3.742 3.742 . 0 0 "[ ]" 1 1153 1 34 LEU HA 1 61 ALA H . . 4.090 3.154 3.154 3.154 . 0 0 "[ ]" 1 1154 1 91 LEU HA 1 91 LEU HG . . 4.250 3.716 3.716 3.716 . 0 0 "[ ]" 1 1155 1 55 ILE MG 1 68 ARG QG . . 4.890 2.898 2.898 2.898 . 0 0 "[ ]" 1 1156 1 103 ILE H 1 103 ILE HG13 . . 3.710 2.127 2.127 2.127 . 0 0 "[ ]" 1 1157 1 21 GLU H 1 103 ILE HG13 . . 4.080 3.068 3.068 3.068 . 0 0 "[ ]" 1 1158 1 102 LEU HA 1 103 ILE HG13 . . 4.700 3.685 3.685 3.685 . 0 0 "[ ]" 1 1159 1 21 GLU HB3 1 103 ILE HG13 . . 3.800 2.668 2.668 2.668 . 0 0 "[ ]" 1 1160 1 103 ILE H 1 103 ILE HG12 . . 3.620 3.360 3.360 3.360 . 0 0 "[ ]" 1 1161 1 102 LEU HA 1 103 ILE HG12 . . 4.530 4.149 4.149 4.149 . 0 0 "[ ]" 1 1162 1 76 ILE H 1 90 LEU MD1 . . 4.760 3.817 3.817 3.817 . 0 0 "[ ]" 1 1163 1 90 LEU HA 1 90 LEU MD1 . . 4.320 3.685 3.685 3.685 . 0 0 "[ ]" 1 1164 1 25 LEU H 1 25 LEU MD1 . . 3.980 3.938 3.938 3.938 . 0 0 "[ ]" 1 1165 1 25 LEU MD1 1 26 TYR H . . 4.760 4.356 4.356 4.356 . 0 0 "[ ]" 1 1166 1 25 LEU MD1 1 61 ALA H . . 4.830 3.810 3.810 3.810 . 0 0 "[ ]" 1 1167 1 25 LEU MD1 1 99 PHE QD . . 4.940 3.906 3.906 3.906 . 0 0 "[ ]" 1 1168 1 25 LEU HA 1 25 LEU MD1 . . 4.040 3.954 3.954 3.954 . 0 0 "[ ]" 1 1169 1 25 LEU MD1 1 61 ALA HA . . 3.770 3.166 3.166 3.166 . 0 0 "[ ]" 1 1170 1 25 LEU MD1 1 99 PHE HB2 . . 4.250 2.527 2.527 2.527 . 0 0 "[ ]" 1 1171 1 25 LEU MD1 1 99 PHE HB3 . . 4.310 2.539 2.539 2.539 . 0 0 "[ ]" 1 1172 1 25 LEU HB2 1 25 LEU MD1 . . 3.210 2.304 2.304 2.304 . 0 0 "[ ]" 1 1173 1 25 LEU HB3 1 25 LEU MD1 . . 3.230 2.461 2.461 2.461 . 0 0 "[ ]" 1 1174 1 25 LEU MD1 1 34 LEU QD . . 3.290 1.950 1.950 1.950 . 0 0 "[ ]" 1 1175 1 103 ILE HA 1 104 ALA H . . 3.070 2.336 2.336 2.336 . 0 0 "[ ]" 1 1176 1 73 ILE HA 1 103 ILE HA . . 3.660 2.691 2.691 2.691 . 0 0 "[ ]" 1 1177 1 74 ILE QG 1 103 ILE HA . . 3.660 3.377 3.377 3.377 . 0 0 "[ ]" 1 1178 1 87 ALA HA 1 90 LEU MD1 . . 3.870 3.824 3.824 3.824 . 0 0 "[ ]" 1 1179 1 79 ILE HB 1 90 LEU MD1 . . 3.630 2.712 2.712 2.712 . 0 0 "[ ]" 1 1180 1 76 ILE HB 1 90 LEU MD1 . . 3.420 2.174 2.174 2.174 . 0 0 "[ ]" 1 1181 1 91 LEU HA 1 101 LEU MD1 . . 4.670 3.962 3.962 3.962 . 0 0 "[ ]" 1 1182 1 99 PHE HB2 1 101 LEU MD1 . . 4.370 4.066 4.066 4.066 . 0 0 "[ ]" 1 1183 1 114 TRP HA 1 114 TRP HE3 . . 4.530 3.586 3.586 3.586 . 0 0 "[ ]" 1 1184 1 114 TRP QB 1 114 TRP HE3 . . 3.800 2.483 2.483 2.483 . 0 0 "[ ]" 1 1185 1 77 ASN H 1 101 LEU MD1 . . 4.420 2.839 2.839 2.839 . 0 0 "[ ]" 1 1186 1 99 PHE QD 1 101 LEU MD1 . . 4.190 2.804 2.804 2.804 . 0 0 "[ ]" 1 1187 1 101 LEU HA 1 101 LEU MD1 . . 3.360 2.028 2.028 2.028 . 0 0 "[ ]" 1 1188 1 76 ILE HA 1 101 LEU MD1 . . 3.720 2.059 2.059 2.059 . 0 0 "[ ]" 1 1189 1 99 PHE HB3 1 101 LEU MD1 . . 3.970 2.640 2.640 2.640 . 0 0 "[ ]" 1 1190 1 101 LEU HB2 1 101 LEU MD1 . . 3.520 3.155 3.155 3.155 . 0 0 "[ ]" 1 1191 1 76 ILE HG12 1 101 LEU MD1 . . 3.600 2.216 2.216 2.216 . 0 0 "[ ]" 1 1192 1 101 LEU H 1 101 LEU MD1 . . 4.330 2.514 2.514 2.514 . 0 0 "[ ]" 1 1193 1 94 GLU HA 1 94 GLU HG3 . . 3.650 3.029 3.029 3.029 . 0 0 "[ ]" 1 1194 1 25 LEU H 1 101 LEU MD2 . . 4.370 4.396 4.396 4.396 0.026 1 0 "[ ]" 1 1195 1 101 LEU H 1 101 LEU MD2 . . 3.780 2.187 2.187 2.187 . 0 0 "[ ]" 1 1196 1 100 SER H 1 101 LEU MD2 . . 4.730 4.103 4.103 4.103 . 0 0 "[ ]" 1 1197 1 99 PHE QD 1 101 LEU MD2 . . 4.410 3.742 3.742 3.742 . 0 0 "[ ]" 1 1198 1 76 ILE HA 1 101 LEU MD2 . . 4.770 4.773 4.773 4.773 0.003 1 0 "[ ]" 1 1199 1 99 PHE HB2 1 101 LEU MD2 . . 3.850 3.105 3.105 3.105 . 0 0 "[ ]" 1 1200 1 99 PHE HB3 1 101 LEU MD2 . . 3.600 2.120 2.120 2.120 . 0 0 "[ ]" 1 1201 1 101 LEU HB2 1 101 LEU MD2 . . 3.200 2.000 2.000 2.000 . 0 0 "[ ]" 1 1202 1 25 LEU HG 1 101 LEU MD2 . . 3.630 2.931 2.931 2.931 . 0 0 "[ ]" 1 1203 1 91 LEU H 1 91 LEU MD2 . . 4.160 1.886 1.886 1.886 . 0 0 "[ ]" 1 1204 1 45 GLU HA 1 45 GLU QG . . 3.080 2.298 2.298 2.298 . 0 0 "[ ]" 1 1205 1 44 ASP H 1 45 GLU HA . . 4.360 4.352 4.352 4.352 . 0 0 "[ ]" 1 1206 1 63 LYS H 1 63 LYS HG3 . . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 1 1207 1 63 LYS HA 1 63 LYS HG3 . . 3.760 3.508 3.508 3.508 . 0 0 "[ ]" 1 1208 1 63 LYS QE 1 63 LYS HG3 . . 3.900 2.169 2.169 2.169 . 0 0 "[ ]" 1 1209 1 63 LYS H 1 63 LYS HG2 . . 4.080 2.613 2.613 2.613 . 0 0 "[ ]" 1 1210 1 20 LEU MD1 1 21 GLU H . . 4.260 4.392 4.392 4.392 0.132 1 0 "[ ]" 1 1211 1 20 LEU HA 1 20 LEU MD1 . . 3.970 3.884 3.884 3.884 . 0 0 "[ ]" 1 1212 1 20 LEU HB3 1 20 LEU MD1 . . 2.990 2.390 2.390 2.390 . 0 0 "[ ]" 1 1213 1 101 LEU HA 1 101 LEU MD2 . . 3.920 3.613 3.613 3.613 . 0 0 "[ ]" 1 1214 1 36 LEU HB2 1 36 LEU QD . . 3.260 1.941 1.941 1.941 . 0 0 "[ ]" 1 1215 1 91 LEU HA 1 91 LEU MD2 . . 4.120 2.183 2.183 2.183 . 0 0 "[ ]" 1 1216 1 91 LEU HB2 1 91 LEU MD2 . . 3.230 2.604 2.604 2.604 . 0 0 "[ ]" 1 1217 1 25 LEU MD2 1 64 ASP HA . . 4.690 4.658 4.658 4.658 . 0 0 "[ ]" 1 1218 1 27 ARG HE 1 97 LYS HA . . 4.780 4.386 4.386 4.386 . 0 0 "[ ]" 1 1219 1 97 LYS HA 1 97 LYS HG2 . . 3.900 1.991 1.991 1.991 . 0 0 "[ ]" 1 1220 1 97 LYS HA 1 99 PHE QE . . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1 1221 1 97 LYS H 1 97 LYS HG2 . . 4.690 4.277 4.277 4.277 . 0 0 "[ ]" 1 1222 1 97 LYS H 1 97 LYS HG3 . . 4.640 4.305 4.305 4.305 . 0 0 "[ ]" 1 1223 1 97 LYS HA 1 97 LYS HG3 . . 3.710 3.063 3.063 3.063 . 0 0 "[ ]" 1 1224 1 20 LEU MD1 1 104 ALA HA . . 4.470 4.602 4.602 4.602 0.132 1 0 "[ ]" 1 1225 1 18 LEU HA 1 18 LEU QD . . 2.940 2.101 2.101 2.101 . 0 0 "[ ]" 1 1226 1 14 ASP HB3 1 18 LEU QD . . 4.830 4.278 4.278 4.278 . 0 0 "[ ]" 1 1227 1 74 ILE H 1 102 LEU MD1 . . 4.220 4.280 4.280 4.280 0.060 1 0 "[ ]" 1 1228 1 102 LEU H 1 102 LEU MD1 . . 4.530 4.275 4.275 4.275 . 0 0 "[ ]" 1 1229 1 75 GLN H 1 102 LEU MD1 . . 4.060 3.038 3.038 3.038 . 0 0 "[ ]" 1 1230 1 75 GLN HE21 1 102 LEU MD1 . . 4.130 3.880 3.880 3.880 . 0 0 "[ ]" 1 1231 1 75 GLN HE22 1 102 LEU MD1 . . 4.280 3.730 3.730 3.730 . 0 0 "[ ]" 1 1232 1 102 LEU HA 1 102 LEU MD1 . . 3.700 3.769 3.769 3.769 0.069 1 0 "[ ]" 1 1233 1 75 GLN HG3 1 102 LEU MD1 . . 3.530 3.575 3.575 3.575 0.045 1 0 "[ ]" 1 1234 1 36 LEU QD 1 37 THR H . . 3.930 4.441 4.441 4.441 0.511 1 1 [+] 1 1235 1 100 SER HA 1 101 LEU HB2 . . 5.460 4.837 4.837 4.837 . 0 0 "[ ]" 1 1236 1 100 SER HA 1 101 LEU H . . 3.130 2.321 2.321 2.321 . 0 0 "[ ]" 1 1237 1 25 LEU H 1 100 SER HA . . 4.210 3.386 3.386 3.386 . 0 0 "[ ]" 1 1238 1 24 ASP QB 1 100 SER HA . . 4.390 3.865 3.865 3.865 . 0 0 "[ ]" 1 1239 1 100 SER HA 1 101 LEU MD1 . . 4.580 3.610 3.610 3.610 . 0 0 "[ ]" 1 1240 1 77 ASN HD21 1 99 PHE HA . . 4.410 2.248 2.248 2.248 . 0 0 "[ ]" 1 1241 1 77 ASN HD22 1 99 PHE HA . . 4.430 1.948 1.948 1.948 . 0 0 "[ ]" 1 1242 1 28 MET HA 1 28 MET HG3 . . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1 1243 1 28 MET HA 1 97 LYS QD . . 4.260 3.250 3.250 3.250 . 0 0 "[ ]" 1 1244 1 17 GLU HA 1 18 LEU QD . . 3.980 5.324 5.324 5.324 1.344 1 1 [+] 1 1245 1 40 TYR HA 1 41 ARG H . . 3.270 2.514 2.514 2.514 . 0 0 "[ ]" 1 1246 1 40 TYR HA 1 40 TYR QE . . 4.770 4.335 4.335 4.335 . 0 0 "[ ]" 1 1247 1 40 TYR HA 1 50 ILE MD . . 4.510 4.387 4.387 4.387 . 0 0 "[ ]" 1 1248 1 40 TYR HA 1 50 ILE HA . . 4.180 3.425 3.425 3.425 . 0 0 "[ ]" 1 1249 1 12 GLU HA 1 12 GLU QG . . 3.240 2.089 2.089 2.089 . 0 0 "[ ]" 1 1250 1 12 GLU HA 1 12 GLU HB3 . . 2.840 2.848 2.848 2.848 0.008 1 0 "[ ]" 1 1251 1 12 GLU HA 1 12 GLU HB2 . . 3.000 2.910 2.910 2.910 . 0 0 "[ ]" 1 1252 1 91 LEU HA 1 99 PHE QE . . 3.910 2.472 2.472 2.472 . 0 0 "[ ]" 1 1253 1 76 ILE MG 1 91 LEU HA . . 4.130 3.660 3.660 3.660 . 0 0 "[ ]" 1 1254 1 108 LEU H 1 108 LEU MD1 . . 4.550 4.077 4.077 4.077 . 0 0 "[ ]" 1 1255 1 108 LEU HA 1 108 LEU MD1 . . 3.750 3.696 3.696 3.696 . 0 0 "[ ]" 1 1256 1 110 LEU H 1 110 LEU MD1 . . 4.710 3.210 3.210 3.210 . 0 0 "[ ]" 1 1257 1 26 TYR HA 1 27 ARG H . . 3.000 2.269 2.269 2.269 . 0 0 "[ ]" 1 1258 1 26 TYR HA 1 98 ASN HA . . 3.810 2.795 2.795 2.795 . 0 0 "[ ]" 1 1259 1 75 GLN HG3 1 80 GLU HA . . 4.090 3.102 3.102 3.102 . 0 0 "[ ]" 1 1260 1 75 GLN HG2 1 80 GLU HA . . 3.730 2.106 2.106 2.106 . 0 0 "[ ]" 1 1261 1 17 GLU HA 1 18 LEU H . . 2.840 3.559 3.559 3.559 0.719 1 1 [+] 1 1262 1 17 GLU HA 1 17 GLU HG2 . . 3.540 3.591 3.591 3.591 0.051 1 0 "[ ]" 1 1263 1 31 GLN HA 1 31 GLN QG . . 3.270 2.255 2.255 2.255 . 0 0 "[ ]" 1 1264 1 107 GLU HA 1 108 LEU H . . 2.790 2.354 2.354 2.354 . 0 0 "[ ]" 1 1265 1 32 ASP HA 1 33 LYS QG . . 4.480 3.739 3.739 3.739 . 0 0 "[ ]" 1 1266 1 33 LYS QG 1 35 GLY H . . 4.760 3.785 3.785 3.785 . 0 0 "[ ]" 1 1267 1 33 LYS HA 1 33 LYS QG . . 3.760 3.328 3.328 3.328 . 0 0 "[ ]" 1 1268 1 33 LYS QG 1 35 GLY HA3 . . 4.800 4.102 4.102 4.102 . 0 0 "[ ]" 1 1269 1 51 TYR HA 1 52 ILE MD . . 5.320 4.700 4.700 4.700 . 0 0 "[ ]" 1 1270 1 51 TYR HA 1 72 ARG HA . . 3.490 2.251 2.251 2.251 . 0 0 "[ ]" 1 1271 1 50 ILE MG 1 51 TYR HA . . 4.650 3.402 3.402 3.402 . 0 0 "[ ]" 1 1272 1 15 ARG HA 1 15 ARG QG . . 3.270 2.235 2.235 2.235 . 0 0 "[ ]" 1 1273 1 15 ARG HA 1 18 LEU QD . . 4.070 4.187 4.187 4.187 0.117 1 0 "[ ]" 1 1274 1 20 LEU MD2 1 105 ARG H . . 4.290 3.503 3.503 3.503 . 0 0 "[ ]" 1 1275 1 20 LEU MD2 1 21 GLU H . . 3.500 3.242 3.242 3.242 . 0 0 "[ ]" 1 1276 1 20 LEU H 1 20 LEU MD2 . . 3.930 3.916 3.916 3.916 . 0 0 "[ ]" 1 1277 1 20 LEU MD2 1 104 ALA HA . . 3.320 1.920 1.920 1.920 . 0 0 "[ ]" 1 1278 1 20 LEU HA 1 20 LEU MD2 . . 3.000 1.945 1.945 1.945 . 0 0 "[ ]" 1 1279 1 36 LEU QD 1 61 ALA HA . . 4.650 3.765 3.765 3.765 . 0 0 "[ ]" 1 1280 1 34 LEU H 1 34 LEU QD . . 4.320 1.780 1.780 1.780 . 0 0 "[ ]" 1 1281 1 34 LEU QD 1 35 GLY H . . 4.660 3.808 3.808 3.808 . 0 0 "[ ]" 1 1282 1 34 LEU QD 1 99 PHE QE . . 4.060 3.074 3.074 3.074 . 0 0 "[ ]" 1 1283 1 34 LEU QD 1 99 PHE QD . . 3.810 2.858 2.858 2.858 . 0 0 "[ ]" 1 1284 1 34 LEU QD 1 91 LEU HA . . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 1 1285 1 34 LEU HA 1 34 LEU QD . . 3.310 2.117 2.117 2.117 . 0 0 "[ ]" 1 1286 1 34 LEU QD 1 99 PHE HB2 . . 4.210 2.784 2.784 2.784 . 0 0 "[ ]" 1 1287 1 34 LEU QD 1 99 PHE HB3 . . 4.250 2.595 2.595 2.595 . 0 0 "[ ]" 1 1288 1 34 LEU QD 1 60 ILE HB . . 3.720 2.920 2.920 2.920 . 0 0 "[ ]" 1 1289 1 27 ARG HG3 1 34 LEU QD . . 3.620 3.539 3.539 3.539 . 0 0 "[ ]" 1 1290 1 34 LEU QD 1 61 ALA H . . 4.480 3.758 3.758 3.758 . 0 0 "[ ]" 1 1291 1 34 LEU QD 1 60 ILE H . . 4.690 4.526 4.526 4.526 . 0 0 "[ ]" 1 1292 1 25 LEU HB2 1 34 LEU QD . . 3.650 3.280 3.280 3.280 . 0 0 "[ ]" 1 1293 1 54 GLU HA 1 69 GLU QG . . 4.000 1.973 1.973 1.973 . 0 0 "[ ]" 1 1294 1 19 GLU HA 1 20 LEU MD2 . . 4.780 4.598 4.598 4.598 . 0 0 "[ ]" 1 1295 1 19 GLU HA 1 20 LEU H . . 2.930 2.444 2.444 2.444 . 0 0 "[ ]" 1 1296 1 34 LEU QD 1 99 PHE H . . 4.960 4.365 4.365 4.365 . 0 0 "[ ]" 1 1297 1 13 MET HA 1 14 ASP H . . 3.140 2.308 2.308 2.308 . 0 0 "[ ]" 1 1298 1 108 LEU MD2 1 109 GLN H . . 4.380 4.231 4.231 4.231 . 0 0 "[ ]" 1 1299 1 108 LEU H 1 108 LEU MD2 . . 4.600 4.317 4.317 4.317 . 0 0 "[ ]" 1 1300 1 108 LEU HA 1 108 LEU MD2 . . 3.230 2.709 2.709 2.709 . 0 0 "[ ]" 1 1301 1 40 TYR QE 1 48 ILE HB . . 4.690 3.835 3.835 3.835 . 0 0 "[ ]" 1 1302 1 40 TYR QE 1 50 ILE HG13 . . 4.100 2.419 2.419 2.419 . 0 0 "[ ]" 1 1303 1 40 TYR QE 1 48 ILE MG . . 3.990 2.964 2.964 2.964 . 0 0 "[ ]" 1 1304 1 40 TYR QE 1 84 ARG H . . 4.020 2.327 2.327 2.327 . 0 0 "[ ]" 1 1305 1 40 TYR QE 1 50 ILE HA . . 4.990 4.161 4.161 4.161 . 0 0 "[ ]" 1 1306 1 40 TYR QE 1 84 ARG HA . . 4.970 2.667 2.667 2.667 . 0 0 "[ ]" 1 1307 1 40 TYR QE 1 84 ARG HB2 . . 4.320 2.261 2.261 2.261 . 0 0 "[ ]" 1 1308 1 40 TYR QE 1 50 ILE HG12 . . 4.140 3.155 3.155 3.155 . 0 0 "[ ]" 1 1309 1 40 TYR QE 1 50 ILE MD . . 3.720 2.166 2.166 2.166 . 0 0 "[ ]" 1 1310 1 115 MET HA 1 116 ASP H . . 3.350 2.217 2.217 2.217 . 0 0 "[ ]" 1 1311 1 114 TRP HE3 1 115 MET HA . . 4.860 4.776 4.776 4.776 . 0 0 "[ ]" 1 1312 1 61 ALA HA 1 64 ASP HB2 . . 4.240 4.249 4.249 4.249 0.009 1 0 "[ ]" 1 1313 1 61 ALA HA 1 64 ASP HB3 . . 3.990 4.024 4.024 4.024 0.034 1 0 "[ ]" 1 1314 1 60 ILE MG 1 61 ALA HA . . 4.100 3.486 3.486 3.486 . 0 0 "[ ]" 1 1315 1 60 ILE HB 1 61 ALA HA . . 4.480 4.336 4.336 4.336 . 0 0 "[ ]" 1 1316 1 88 VAL H 1 89 ALA HA . . 4.830 4.869 4.869 4.869 0.039 1 0 "[ ]" 1 1317 1 89 ALA HA 1 91 LEU H . . 4.830 4.438 4.438 4.438 . 0 0 "[ ]" 1 1318 1 88 VAL HB 1 89 ALA HA . . 4.540 4.431 4.431 4.431 . 0 0 "[ ]" 1 1319 1 87 ALA HA 1 90 LEU H . . 4.040 4.161 4.161 4.161 0.121 1 0 "[ ]" 1 1320 1 87 ALA HA 1 91 LEU H . . 4.680 4.658 4.658 4.658 . 0 0 "[ ]" 1 1321 1 87 ALA HA 1 90 LEU HB2 . . 3.720 3.490 3.490 3.490 . 0 0 "[ ]" 1 1322 1 81 VAL HB 1 87 ALA HA . . 3.920 3.757 3.757 3.757 . 0 0 "[ ]" 1 1323 1 81 VAL MG1 1 87 ALA HA . . 2.950 2.153 2.153 2.153 . 0 0 "[ ]" 1 1324 1 87 ALA HA 1 91 LEU MD2 . . 4.080 3.557 3.557 3.557 . 0 0 "[ ]" 1 1325 1 22 GLU HA 1 102 LEU MD2 . . 4.090 2.095 2.095 2.095 . 0 0 "[ ]" 1 1326 1 108 LEU HA 1 108 LEU HG . . 3.070 2.302 2.302 2.302 . 0 0 "[ ]" 1 1327 1 110 LEU H 1 110 LEU HA . . 2.660 2.753 2.753 2.753 0.093 1 0 "[ ]" 1 1328 1 61 ALA HA 1 64 ASP H . . 4.230 3.235 3.235 3.235 . 0 0 "[ ]" 1 1329 1 104 ALA H 1 104 ALA MB . . 3.180 2.220 2.220 2.220 . 0 0 "[ ]" 1 1330 1 104 ALA MB 1 105 ARG H . . 3.330 3.410 3.410 3.410 0.080 1 0 "[ ]" 1 1331 1 72 ARG HB2 1 104 ALA MB . . 3.340 3.339 3.339 3.339 . 0 0 "[ ]" 1 1332 1 18 LEU QB 1 104 ALA MB . . 2.940 2.857 2.857 2.857 . 0 0 "[ ]" 1 1333 1 88 VAL H 1 88 VAL QG . . 3.030 2.658 2.658 2.658 . 0 0 "[ ]" 1 1334 1 88 VAL QG 1 89 ALA H . . 3.780 3.085 3.085 3.085 . 0 0 "[ ]" 1 1335 1 87 ALA H 1 88 VAL QG . . 4.530 4.405 4.405 4.405 . 0 0 "[ ]" 1 1336 1 85 GLU HA 1 88 VAL QG . . 3.740 3.418 3.418 3.418 . 0 0 "[ ]" 1 1337 1 88 VAL HA 1 88 VAL QG . . 3.040 2.030 2.030 2.030 . 0 0 "[ ]" 1 1338 1 38 VAL HB 1 88 VAL QG . . 3.940 3.685 3.685 3.685 . 0 0 "[ ]" 1 1339 1 87 ALA MB 1 88 VAL QG . . 3.280 3.083 3.083 3.083 . 0 0 "[ ]" 1 1340 1 88 VAL QG 1 92 THR MG . . 3.130 1.935 1.935 1.935 . 0 0 "[ ]" 1 1341 1 84 ARG HG3 1 88 VAL QG . . 3.590 2.958 2.958 2.958 . 0 0 "[ ]" 1 1342 1 84 ARG HA 1 88 VAL QG . . 4.510 4.494 4.494 4.494 . 0 0 "[ ]" 1 1343 1 25 LEU MD2 1 26 TYR H . . 3.780 3.764 3.764 3.764 . 0 0 "[ ]" 1 1344 1 25 LEU MD2 1 64 ASP H . . 4.280 3.806 3.806 3.806 . 0 0 "[ ]" 1 1345 1 25 LEU HA 1 25 LEU MD2 . . 3.040 2.095 2.095 2.095 . 0 0 "[ ]" 1 1346 1 25 LEU MD2 1 61 ALA HA . . 3.350 1.961 1.961 1.961 . 0 0 "[ ]" 1 1347 1 25 LEU MD2 1 64 ASP HB2 . . 3.420 3.319 3.319 3.319 . 0 0 "[ ]" 1 1348 1 25 LEU MD2 1 64 ASP HB3 . . 3.480 2.422 2.422 2.422 . 0 0 "[ ]" 1 1349 1 25 LEU MD2 1 60 ILE MG . . 3.040 2.985 2.985 2.985 . 0 0 "[ ]" 1 1350 1 25 LEU H 1 25 LEU MD2 . . 3.800 3.774 3.774 3.774 . 0 0 "[ ]" 1 1351 1 25 LEU MD2 1 65 GLY H . . 4.800 1.885 1.885 1.885 . 0 0 "[ ]" 1 1352 1 102 LEU MD2 1 103 ILE H . . 3.370 2.046 2.046 2.046 . 0 0 "[ ]" 1 1353 1 21 GLU H 1 102 LEU MD2 . . 3.730 2.156 2.156 2.156 . 0 0 "[ ]" 1 1354 1 20 LEU H 1 102 LEU MD2 . . 4.780 4.777 4.777 4.777 . 0 0 "[ ]" 1 1355 1 20 LEU HA 1 102 LEU MD2 . . 4.060 3.562 3.562 3.562 . 0 0 "[ ]" 1 1356 1 102 LEU HA 1 102 LEU MD2 . . 2.930 2.231 2.231 2.231 . 0 0 "[ ]" 1 1357 1 21 GLU HA 1 102 LEU MD2 . . 4.330 3.476 3.476 3.476 . 0 0 "[ ]" 1 1358 1 22 GLU QG 1 102 LEU MD2 . . 3.310 2.963 2.963 2.963 . 0 0 "[ ]" 1 1359 1 22 GLU HB2 1 102 LEU MD2 . . 3.280 3.086 3.086 3.086 . 0 0 "[ ]" 1 1360 1 110 LEU MD2 1 111 ASP H . . 4.290 2.849 2.849 2.849 . 0 0 "[ ]" 1 1361 1 110 LEU HA 1 110 LEU MD2 . . 3.350 2.516 2.516 2.516 . 0 0 "[ ]" 1 1362 1 18 LEU QD 1 19 GLU H . . 3.660 2.947 2.947 2.947 . 0 0 "[ ]" 1 1363 1 18 LEU QD 1 107 GLU H . . 4.030 3.931 3.931 3.931 . 0 0 "[ ]" 1 1364 1 18 LEU QD 1 106 PRO HB2 . . 4.070 3.797 3.797 3.797 . 0 0 "[ ]" 1 1365 1 18 LEU QD 1 107 GLU QG . . 4.080 6.660 6.660 6.660 2.580 1 1 [+] 1 1366 1 18 LEU QD 1 106 PRO HG3 . . 4.130 3.592 3.592 3.592 . 0 0 "[ ]" 1 1367 1 18 LEU QD 1 106 PRO HB3 . . 3.900 2.506 2.506 2.506 . 0 0 "[ ]" 1 1368 1 18 LEU QD 1 105 ARG HA . . 4.500 4.175 4.175 4.175 . 0 0 "[ ]" 1 1369 1 18 LEU QD 1 106 PRO HD3 . . 4.390 3.617 3.617 3.617 . 0 0 "[ ]" 1 1370 1 18 LEU QD 1 106 PRO HD2 . . 4.720 4.640 4.640 4.640 . 0 0 "[ ]" 1 1371 1 18 LEU QD 1 104 ALA MB . . 3.540 2.665 2.665 2.665 . 0 0 "[ ]" 1 1372 1 26 TYR QE 1 28 MET HA . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1 1373 1 26 TYR QE 1 98 ASN QB . . 3.800 3.605 3.605 3.605 . 0 0 "[ ]" 1 1374 1 26 TYR QE 1 28 MET ME . . 4.270 2.752 2.752 2.752 . 0 0 "[ ]" 1 1375 1 26 TYR QE 1 97 LYS QD . . 3.980 3.328 3.328 3.328 . 0 0 "[ ]" 1 1376 1 27 ARG HA 1 27 ARG HG3 . . 4.160 2.440 2.440 2.440 . 0 0 "[ ]" 1 1377 1 90 LEU MD2 1 91 LEU H . . 5.280 4.449 4.449 4.449 . 0 0 "[ ]" 1 1378 1 90 LEU MD2 1 96 ASN HD22 . . 4.570 2.791 2.791 2.791 . 0 0 "[ ]" 1 1379 1 90 LEU HA 1 90 LEU MD2 . . 2.850 2.466 2.466 2.466 . 0 0 "[ ]" 1 1380 1 79 ILE HB 1 90 LEU MD2 . . 4.110 3.443 3.443 3.443 . 0 0 "[ ]" 1 1381 1 90 LEU HB2 1 90 LEU MD2 . . 3.390 3.190 3.190 3.190 . 0 0 "[ ]" 1 1382 1 75 GLN HA 1 81 VAL MG1 . . 4.360 3.631 3.631 3.631 . 0 0 "[ ]" 1 1383 1 81 VAL MG1 1 82 GLN QG . . 5.230 5.055 5.055 5.055 . 0 0 "[ ]" 1 1384 1 81 VAL MG1 1 82 GLN H . . 3.890 3.580 3.580 3.580 . 0 0 "[ ]" 1 1385 1 76 ILE H 1 81 VAL MG1 . . 4.090 3.489 3.489 3.489 . 0 0 "[ ]" 1 1386 1 81 VAL MG1 1 83 ASN H . . 3.920 3.976 3.976 3.976 0.056 1 0 "[ ]" 1 1387 1 81 VAL H 1 81 VAL MG1 . . 3.330 2.717 2.717 2.717 . 0 0 "[ ]" 1 1388 1 80 GLU HA 1 81 VAL MG1 . . 4.280 4.280 4.280 4.280 0.000 1 0 "[ ]" 1 1389 1 81 VAL HA 1 81 VAL MG1 . . 3.150 2.112 2.112 2.112 . 0 0 "[ ]" 1 1390 1 81 VAL MG1 1 86 GLU HG3 . . 3.790 3.686 3.686 3.686 . 0 0 "[ ]" 1 1391 1 81 VAL MG1 1 86 GLU QB . . 3.430 2.869 2.869 2.869 . 0 0 "[ ]" 1 1392 1 41 ARG H 1 51 TYR QE . . 4.440 4.029 4.029 4.029 . 0 0 "[ ]" 1 1393 1 49 GLY H 1 51 TYR QE . . 4.160 4.095 4.095 4.095 . 0 0 "[ ]" 1 1394 1 50 ILE HA 1 51 TYR QE . . 4.460 4.486 4.486 4.486 0.026 1 0 "[ ]" 1 1395 1 49 GLY HA2 1 51 TYR QE . . 4.490 4.152 4.152 4.152 . 0 0 "[ ]" 1 1396 1 49 GLY HA3 1 51 TYR QE . . 3.900 2.742 2.742 2.742 . 0 0 "[ ]" 1 1397 1 51 TYR QE 1 72 ARG HB2 . . 3.920 2.162 2.162 2.162 . 0 0 "[ ]" 1 1398 1 51 TYR QE 1 72 ARG HB3 . . 3.610 3.636 3.636 3.636 0.026 1 0 "[ ]" 1 1399 1 41 ARG HG2 1 51 TYR QE . . 4.420 4.662 4.662 4.662 0.242 1 0 "[ ]" 1 1400 1 51 TYR QE 1 72 ARG HG3 . . 4.580 2.548 2.548 2.548 . 0 0 "[ ]" 1 1401 1 51 TYR H 1 51 TYR QE . . 4.760 4.801 4.801 4.801 0.041 1 0 "[ ]" 1 1402 1 91 LEU HA 1 91 LEU MD1 . . 2.940 2.449 2.449 2.449 . 0 0 "[ ]" 1 1403 1 91 LEU MD1 1 101 LEU HG . . 3.940 2.038 2.038 2.038 . 0 0 "[ ]" 1 1404 1 76 ILE MG 1 91 LEU MD1 . . 2.860 2.952 2.952 2.952 0.092 1 0 "[ ]" 1 1405 1 91 LEU MD1 1 101 LEU MD1 . . 3.060 2.036 2.036 2.036 . 0 0 "[ ]" 1 1406 1 75 GLN HA 1 75 GLN HG3 . . 4.060 2.643 2.643 2.643 . 0 0 "[ ]" 1 1407 1 91 LEU MD1 1 99 PHE QE . . 4.290 3.918 3.918 3.918 . 0 0 "[ ]" 1 1408 1 91 LEU MD1 1 99 PHE QD . . 4.090 3.082 3.082 3.082 . 0 0 "[ ]" 1 1409 1 34 LEU HA 1 91 LEU MD1 . . 4.820 4.604 4.604 4.604 . 0 0 "[ ]" 1 1410 1 75 GLN HA 1 76 ILE H . . 3.050 2.444 2.444 2.444 . 0 0 "[ ]" 1 1411 1 75 GLN HA 1 80 GLU HA . . 3.580 3.007 3.007 3.007 . 0 0 "[ ]" 1 1412 1 75 GLN HA 1 75 GLN HG2 . . 3.780 2.719 2.719 2.719 . 0 0 "[ ]" 1 1413 1 76 ILE HA 1 101 LEU HA . . 4.060 2.165 2.165 2.165 . 0 0 "[ ]" 1 1414 1 101 LEU HA 1 101 LEU HG . . 3.620 3.563 3.563 3.563 . 0 0 "[ ]" 1 1415 1 23 VAL H 1 102 LEU HA . . 4.530 3.383 3.383 3.383 . 0 0 "[ ]" 1 1416 1 38 VAL QG 1 39 CYS H . . 3.840 1.887 1.887 1.887 . 0 0 "[ ]" 1 1417 1 38 VAL QG 1 53 SER H . . 4.340 4.016 4.016 4.016 . 0 0 "[ ]" 1 1418 1 38 VAL QG 1 51 TYR H . . 4.880 2.674 2.674 2.674 . 0 0 "[ ]" 1 1419 1 38 VAL H 1 38 VAL QG . . 3.080 1.985 1.985 1.985 . 0 0 "[ ]" 1 1420 1 38 VAL HA 1 38 VAL QG . . 3.320 2.535 2.535 2.535 . 0 0 "[ ]" 1 1421 1 38 VAL QG 1 52 ILE HA . . 3.630 3.761 3.761 3.761 0.131 1 0 "[ ]" 1 1422 1 38 VAL QG 1 87 ALA MB . . 3.160 2.273 2.273 2.273 . 0 0 "[ ]" 1 1423 1 19 GLU HA 1 20 LEU HA . . 4.870 4.398 4.398 4.398 . 0 0 "[ ]" 1 1424 1 20 LEU HA 1 21 GLU H . . 3.000 2.542 2.542 2.542 . 0 0 "[ ]" 1 1425 1 20 LEU HA 1 105 ARG H . . 4.500 2.670 2.670 2.670 . 0 0 "[ ]" 1 1426 1 20 LEU HA 1 104 ALA HA . . 3.550 2.359 2.359 2.359 . 0 0 "[ ]" 1 1427 1 42 THR MG 1 44 ASP H . . 4.520 2.358 2.358 2.358 . 0 0 "[ ]" 1 1428 1 37 THR HA 1 38 VAL QG . . 3.910 2.989 2.989 2.989 . 0 0 "[ ]" 1 1429 1 105 ARG HA 1 105 ARG QG . . 3.960 2.732 2.732 2.732 . 0 0 "[ ]" 1 1430 1 42 THR H 1 42 THR MG . . 3.370 3.898 3.898 3.898 0.528 1 1 [+] 1 1431 1 40 TYR QE 1 42 THR MG . . 4.400 4.379 4.379 4.379 . 0 0 "[ ]" 1 1432 1 42 THR HA 1 42 THR MG . . 2.970 2.249 2.249 2.249 . 0 0 "[ ]" 1 1433 1 41 ARG HA 1 42 THR MG . . 4.030 5.723 5.723 5.723 1.693 1 1 [+] 1 1434 1 91 LEU H 1 92 THR MG . . 4.540 3.480 3.480 3.480 . 0 0 "[ ]" 1 1435 1 92 THR H 1 92 THR MG . . 3.470 2.331 2.331 2.331 . 0 0 "[ ]" 1 1436 1 92 THR MG 1 93 SER H . . 4.450 4.267 4.267 4.267 . 0 0 "[ ]" 1 1437 1 89 ALA HA 1 92 THR MG . . 4.540 2.568 2.568 2.568 . 0 0 "[ ]" 1 1438 1 88 VAL HA 1 92 THR MG . . 4.050 3.425 3.425 3.425 . 0 0 "[ ]" 1 1439 1 37 THR MG 1 53 SER H . . 4.480 2.749 2.749 2.749 . 0 0 "[ ]" 1 1440 1 37 THR MG 1 38 VAL H . . 3.240 2.252 2.252 2.252 . 0 0 "[ ]" 1 1441 1 37 THR MG 1 54 GLU H . . 4.030 2.547 2.547 2.547 . 0 0 "[ ]" 1 1442 1 37 THR MG 1 38 VAL HA . . 4.600 3.305 3.305 3.305 . 0 0 "[ ]" 1 1443 1 37 THR MG 1 54 GLU HG3 . . 4.060 3.397 3.397 3.397 . 0 0 "[ ]" 1 1444 1 37 THR MG 1 54 GLU QB . . 3.550 2.668 2.668 2.668 . 0 0 "[ ]" 1 1445 1 37 THR MG 1 38 VAL QG . . 4.090 3.421 3.421 3.421 . 0 0 "[ ]" 1 1446 1 88 VAL QG 1 92 THR H . . 4.790 4.050 4.050 4.050 . 0 0 "[ ]" 1 1447 1 88 VAL QG 1 92 THR HB . . 4.670 4.248 4.248 4.248 . 0 0 "[ ]" 1 1448 1 88 VAL QG 1 89 ALA HA . . 3.950 3.346 3.346 3.346 . 0 0 "[ ]" 1 1449 1 23 VAL MG2 1 66 ARG HE . . 4.510 3.760 3.760 3.760 . 0 0 "[ ]" 1 1450 1 23 VAL H 1 23 VAL MG2 . . 3.610 2.833 2.833 2.833 . 0 0 "[ ]" 1 1451 1 23 VAL MG2 1 103 ILE H . . 4.720 4.733 4.733 4.733 0.013 1 0 "[ ]" 1 1452 1 22 GLU H 1 23 VAL MG2 . . 4.920 4.285 4.285 4.285 . 0 0 "[ ]" 1 1453 1 23 VAL MG2 1 24 ASP H . . 4.150 4.101 4.101 4.101 . 0 0 "[ ]" 1 1454 1 23 VAL MG2 1 66 ARG HH12 . . 4.830 3.049 3.049 3.049 . 0 0 "[ ]" 1 1455 1 22 GLU HA 1 23 VAL MG2 . . 4.310 3.859 3.859 3.859 . 0 0 "[ ]" 1 1456 1 23 VAL HA 1 23 VAL MG2 . . 3.270 2.302 2.302 2.302 . 0 0 "[ ]" 1 1457 1 23 VAL MG2 1 66 ARG HD3 . . 4.520 4.551 4.551 4.551 0.031 1 0 "[ ]" 1 1458 1 23 VAL MG2 1 66 ARG HD2 . . 4.160 3.243 3.243 3.243 . 0 0 "[ ]" 1 1459 1 21 GLU HG3 1 23 VAL MG2 . . 3.450 3.640 3.640 3.640 0.190 1 0 "[ ]" 1 1460 1 23 VAL MG2 1 66 ARG HB2 . . 3.200 2.658 2.658 2.658 . 0 0 "[ ]" 1 1461 1 23 VAL MG2 1 103 ILE HG13 . . 3.830 3.543 3.543 3.543 . 0 0 "[ ]" 1 1462 1 24 ASP HA 1 101 LEU H . . 4.140 3.877 3.877 3.877 . 0 0 "[ ]" 1 1463 1 24 ASP HA 1 25 LEU H . . 3.020 2.383 2.383 2.383 . 0 0 "[ ]" 1 1464 1 24 ASP HA 1 100 SER HA . . 3.430 1.977 1.977 1.977 . 0 0 "[ ]" 1 1465 1 23 VAL MG1 1 24 ASP HA . . 4.500 4.027 4.027 4.027 . 0 0 "[ ]" 1 1466 1 24 ASP HA 1 25 LEU HG . . 4.730 3.392 3.392 3.392 . 0 0 "[ ]" 1 1467 1 23 VAL MG1 1 67 ILE H . . 4.760 3.067 3.067 3.067 . 0 0 "[ ]" 1 1468 1 23 VAL H 1 23 VAL MG1 . . 4.210 3.756 3.756 3.756 . 0 0 "[ ]" 1 1469 1 23 VAL MG1 1 66 ARG HE . . 3.640 3.030 3.030 3.030 . 0 0 "[ ]" 1 1470 1 23 VAL MG1 1 24 ASP H . . 3.660 2.718 2.718 2.718 . 0 0 "[ ]" 1 1471 1 23 VAL MG1 1 66 ARG HH12 . . 4.270 3.539 3.539 3.539 . 0 0 "[ ]" 1 1472 1 23 VAL HA 1 23 VAL MG1 . . 3.280 2.391 2.391 2.391 . 0 0 "[ ]" 1 1473 1 23 VAL MG1 1 66 ARG HD3 . . 4.980 4.816 4.816 4.816 . 0 0 "[ ]" 1 1474 1 23 VAL MG1 1 66 ARG HD2 . . 4.560 4.025 4.025 4.025 . 0 0 "[ ]" 1 1475 1 23 VAL MG1 1 24 ASP QB . . 4.570 4.373 4.373 4.373 . 0 0 "[ ]" 1 1476 1 23 VAL MG1 1 66 ARG HB2 . . 3.270 3.152 3.152 3.152 . 0 0 "[ ]" 1 1477 1 23 VAL MG1 1 25 LEU HG . . 3.290 3.181 3.181 3.181 . 0 0 "[ ]" 1 1478 1 81 VAL MG2 1 82 GLN H . . 4.270 3.917 3.917 3.917 . 0 0 "[ ]" 1 1479 1 76 ILE H 1 81 VAL MG2 . . 4.470 3.898 3.898 3.898 . 0 0 "[ ]" 1 1480 1 75 GLN H 1 81 VAL MG2 . . 4.300 4.245 4.245 4.245 . 0 0 "[ ]" 1 1481 1 81 VAL H 1 81 VAL MG2 . . 3.020 1.858 1.858 1.858 . 0 0 "[ ]" 1 1482 1 75 GLN HA 1 81 VAL MG2 . . 3.730 2.686 2.686 2.686 . 0 0 "[ ]" 1 1483 1 80 GLU HA 1 81 VAL MG2 . . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 1 1484 1 74 ILE HA 1 81 VAL MG2 . . 4.260 3.797 3.797 3.797 . 0 0 "[ ]" 1 1485 1 81 VAL HA 1 81 VAL MG2 . . 3.470 3.196 3.196 3.196 . 0 0 "[ ]" 1 1486 1 81 VAL MG2 1 87 ALA MB . . 3.270 3.004 3.004 3.004 . 0 0 "[ ]" 1 1487 1 57 PRO HD2 1 58 ASN H . . 4.700 2.335 2.335 2.335 . 0 0 "[ ]" 1 1488 1 57 PRO HD3 1 58 ASN H . . 4.650 3.670 3.670 3.670 . 0 0 "[ ]" 1 1489 1 56 ASP QB 1 57 PRO HD3 . . 4.350 3.725 3.725 3.725 . 0 0 "[ ]" 1 1490 1 105 ARG H 1 106 PRO HD3 . . 4.550 4.545 4.545 4.545 . 0 0 "[ ]" 1 1491 1 105 ARG HA 1 106 PRO HD3 . . 3.220 1.949 1.949 1.949 . 0 0 "[ ]" 1 1492 1 105 ARG HB2 1 106 PRO HD3 . . 4.180 3.972 3.972 3.972 . 0 0 "[ ]" 1 1493 1 105 ARG QG 1 106 PRO HD3 . . 4.380 3.213 3.213 3.213 . 0 0 "[ ]" 1 1494 1 105 ARG HE 1 106 PRO HD2 . . 4.460 4.320 4.320 4.320 . 0 0 "[ ]" 1 1495 1 105 ARG HA 1 106 PRO HD2 . . 3.290 2.485 2.485 2.485 . 0 0 "[ ]" 1 1496 1 105 ARG HB2 1 106 PRO HD2 . . 3.800 3.503 3.503 3.503 . 0 0 "[ ]" 1 1497 1 105 ARG QG 1 106 PRO HD2 . . 4.040 1.958 1.958 1.958 . 0 0 "[ ]" 1 1498 1 58 ASN H 1 62 ALA MB . . 3.920 3.355 3.355 3.355 . 0 0 "[ ]" 1 1499 1 61 ALA H 1 62 ALA MB . . 4.640 4.218 4.218 4.218 . 0 0 "[ ]" 1 1500 1 62 ALA MB 1 63 LYS H . . 3.400 2.592 2.592 2.592 . 0 0 "[ ]" 1 1501 1 62 ALA H 1 62 ALA MB . . 2.980 1.960 1.960 1.960 . 0 0 "[ ]" 1 1502 1 59 SER H 1 62 ALA MB . . 3.140 1.792 1.792 1.792 . 0 0 "[ ]" 1 1503 1 59 SER HG 1 62 ALA MB . . 3.970 2.966 2.966 2.966 . 0 0 "[ ]" 1 1504 1 57 PRO HA 1 62 ALA MB . . 3.140 2.103 2.103 2.103 . 0 0 "[ ]" 1 1505 1 56 ASP QB 1 62 ALA MB . . 4.550 3.430 3.430 3.430 . 0 0 "[ ]" 1 1506 1 57 PRO HB2 1 62 ALA MB . . 4.340 4.105 4.105 4.105 . 0 0 "[ ]" 1 1507 1 61 ALA MB 1 62 ALA MB . . 3.900 3.590 3.590 3.590 . 0 0 "[ ]" 1 1508 1 61 ALA H 1 61 ALA MB . . 3.030 2.155 2.155 2.155 . 0 0 "[ ]" 1 1509 1 61 ALA MB 1 62 ALA H . . 3.550 2.199 2.199 2.199 . 0 0 "[ ]" 1 1510 1 36 LEU H 1 61 ALA MB . . 4.750 4.770 4.770 4.770 0.020 1 0 "[ ]" 1 1511 1 60 ILE HB 1 61 ALA MB . . 4.460 3.863 3.863 3.863 . 0 0 "[ ]" 1 1512 1 61 ALA MB 1 67 ILE MD . . 3.290 2.992 2.992 2.992 . 0 0 "[ ]" 1 1513 1 36 LEU QD 1 61 ALA MB . . 2.740 1.734 1.734 1.734 . 0 0 "[ ]" 1 1514 1 34 LEU QD 1 61 ALA MB . . 4.180 3.080 3.080 3.080 . 0 0 "[ ]" 1 1515 1 60 ILE H 1 61 ALA MB . . 4.730 4.624 4.624 4.624 . 0 0 "[ ]" 1 1516 1 59 SER HB3 1 61 ALA MB . . 4.700 4.795 4.795 4.795 0.095 1 0 "[ ]" 1 1517 1 36 LEU HB2 1 61 ALA MB . . 4.230 4.356 4.356 4.356 0.126 1 0 "[ ]" 1 1518 1 67 ILE H 1 67 ILE MG . . 4.180 3.724 3.724 3.724 . 0 0 "[ ]" 1 1519 1 67 ILE MG 1 71 ASP HB2 . . 3.930 2.570 2.570 2.570 . 0 0 "[ ]" 1 1520 1 67 ILE MG 1 71 ASP HB3 . . 4.200 3.042 3.042 3.042 . 0 0 "[ ]" 1 1521 1 61 ALA MB 1 67 ILE MG . . 3.650 3.568 3.568 3.568 . 0 0 "[ ]" 1 1522 1 38 VAL QG 1 87 ALA HA . . 4.920 4.518 4.518 4.518 . 0 0 "[ ]" 1 1523 1 38 VAL QG 1 84 ARG HA . . 4.320 3.050 3.050 3.050 . 0 0 "[ ]" 1 1524 1 38 VAL QG 1 88 VAL HA . . 4.180 3.413 3.413 3.413 . 0 0 "[ ]" 1 1525 1 38 VAL QG 1 84 ARG QD . . 4.560 1.947 1.947 1.947 . 0 0 "[ ]" 1 1526 1 67 ILE MG 1 68 ARG H . . 3.260 1.910 1.910 1.910 . 0 0 "[ ]" 1 1527 1 67 ILE MG 1 68 ARG HA . . 4.470 3.387 3.387 3.387 . 0 0 "[ ]" 1 1528 1 67 ILE HA 1 67 ILE MG . . 3.360 2.423 2.423 2.423 . 0 0 "[ ]" 1 1529 1 52 ILE HB 1 67 ILE MG . . 4.290 3.802 3.802 3.802 . 0 0 "[ ]" 1 1530 1 67 ILE HG12 1 67 ILE MG . . 3.570 2.413 2.413 2.413 . 0 0 "[ ]" 1 1531 1 103 ILE MG 1 104 ALA H . . 3.500 3.606 3.606 3.606 0.106 1 0 "[ ]" 1 1532 1 103 ILE HA 1 103 ILE MG . . 3.260 2.234 2.234 2.234 . 0 0 "[ ]" 1 1533 1 102 LEU HA 1 103 ILE MG . . 4.230 3.736 3.736 3.736 . 0 0 "[ ]" 1 1534 1 71 ASP HB3 1 103 ILE MG . . 3.650 2.041 2.041 2.041 . 0 0 "[ ]" 1 1535 1 103 ILE HG13 1 103 ILE MG . . 3.170 3.019 3.019 3.019 . 0 0 "[ ]" 1 1536 1 52 ILE MG 1 69 GLU H . . 4.580 4.165 4.165 4.165 . 0 0 "[ ]" 1 1537 1 52 ILE MG 1 55 ILE H . . 4.790 4.142 4.142 4.142 . 0 0 "[ ]" 1 1538 1 52 ILE MG 1 71 ASP H . . 4.350 3.646 3.646 3.646 . 0 0 "[ ]" 1 1539 1 52 ILE MG 1 70 GLY H . . 3.820 3.111 3.111 3.111 . 0 0 "[ ]" 1 1540 1 52 ILE MG 1 53 SER H . . 3.640 2.756 2.756 2.756 . 0 0 "[ ]" 1 1541 1 52 ILE H 1 52 ILE MG . . 3.960 3.741 3.741 3.741 . 0 0 "[ ]" 1 1542 1 37 THR H 1 52 ILE MG . . 3.980 3.315 3.315 3.315 . 0 0 "[ ]" 1 1543 1 52 ILE MG 1 54 GLU H . . 3.590 2.769 2.769 2.769 . 0 0 "[ ]" 1 1544 1 38 VAL HA 1 52 ILE MG . . 4.610 3.693 3.693 3.693 . 0 0 "[ ]" 1 1545 1 52 ILE MG 1 55 ILE HA . . 4.400 3.638 3.638 3.638 . 0 0 "[ ]" 1 1546 1 52 ILE MG 1 54 GLU HA . . 4.120 3.747 3.747 3.747 . 0 0 "[ ]" 1 1547 1 52 ILE HA 1 52 ILE MG . . 3.390 2.265 2.265 2.265 . 0 0 "[ ]" 1 1548 1 37 THR HB 1 52 ILE MG . . 4.920 4.355 4.355 4.355 . 0 0 "[ ]" 1 1549 1 52 ILE MG 1 69 GLU HA . . 3.230 2.115 2.115 2.115 . 0 0 "[ ]" 1 1550 1 52 ILE MG 1 71 ASP HB2 . . 4.620 3.730 3.730 3.730 . 0 0 "[ ]" 1 1551 1 52 ILE MG 1 69 GLU HB3 . . 3.950 3.944 3.944 3.944 . 0 0 "[ ]" 1 1552 1 52 ILE HG12 1 52 ILE MG . . 3.450 3.179 3.179 3.179 . 0 0 "[ ]" 1 1553 1 52 ILE MG 1 55 ILE HG13 . . 3.410 3.222 3.222 3.222 . 0 0 "[ ]" 1 1554 1 52 ILE HG13 1 52 ILE MG . . 3.430 2.683 2.683 2.683 . 0 0 "[ ]" 1 1555 1 52 ILE MG 1 67 ILE MG . . 2.980 2.678 2.678 2.678 . 0 0 "[ ]" 1 1556 1 50 ILE MG 1 51 TYR H . . 3.770 2.463 2.463 2.463 . 0 0 "[ ]" 1 1557 1 50 ILE H 1 50 ILE MG . . 4.130 3.573 3.573 3.573 . 0 0 "[ ]" 1 1558 1 38 VAL HA 1 50 ILE MG . . 4.370 4.021 4.021 4.021 . 0 0 "[ ]" 1 1559 1 50 ILE HA 1 50 ILE MG . . 3.380 2.602 2.602 2.602 . 0 0 "[ ]" 1 1560 1 87 ALA MB 1 88 VAL H . . 3.290 2.898 2.898 2.898 . 0 0 "[ ]" 1 1561 1 87 ALA H 1 87 ALA MB . . 2.990 1.951 1.951 1.951 . 0 0 "[ ]" 1 1562 1 81 VAL HB 1 87 ALA MB . . 3.630 3.291 3.291 3.291 . 0 0 "[ ]" 1 1563 1 81 VAL MG1 1 87 ALA MB . . 2.940 2.940 2.940 2.940 0.000 1 0 "[ ]" 1 1564 1 26 TYR H 1 60 ILE MG . . 3.380 2.462 2.462 2.462 . 0 0 "[ ]" 1 1565 1 60 ILE MG 1 61 ALA H . . 3.870 3.346 3.346 3.346 . 0 0 "[ ]" 1 1566 1 25 LEU HA 1 60 ILE MG . . 3.910 3.727 3.727 3.727 . 0 0 "[ ]" 1 1567 1 27 ARG HA 1 60 ILE MG . . 4.140 3.507 3.507 3.507 . 0 0 "[ ]" 1 1568 1 34 LEU HA 1 60 ILE MG . . 3.550 3.552 3.552 3.552 0.002 1 0 "[ ]" 1 1569 1 60 ILE HA 1 60 ILE MG . . 3.170 2.473 2.473 2.473 . 0 0 "[ ]" 1 1570 1 32 ASP QB 1 60 ILE MG . . 4.310 3.693 3.693 3.693 . 0 0 "[ ]" 1 1571 1 25 LEU HB3 1 60 ILE MG . . 3.350 2.191 2.191 2.191 . 0 0 "[ ]" 1 1572 1 60 ILE MD 1 60 ILE MG . . 2.670 1.837 1.837 1.837 . 0 0 "[ ]" 1 1573 1 25 LEU MD1 1 60 ILE MG . . 3.430 2.923 2.923 2.923 . 0 0 "[ ]" 1 1574 1 34 LEU QD 1 60 ILE MG . . 3.520 2.759 2.759 2.759 . 0 0 "[ ]" 1 1575 1 103 ILE H 1 103 ILE MG . . 3.570 3.324 3.324 3.324 . 0 0 "[ ]" 1 1576 1 72 ARG H 1 103 ILE MG . . 4.190 3.968 3.968 3.968 . 0 0 "[ ]" 1 1577 1 73 ILE HA 1 103 ILE MG . . 3.660 2.805 2.805 2.805 . 0 0 "[ ]" 1 1578 1 71 ASP HB2 1 103 ILE MG . . 4.020 3.227 3.227 3.227 . 0 0 "[ ]" 1 1579 1 73 ILE HG12 1 103 ILE MG . . 3.880 3.819 3.819 3.819 . 0 0 "[ ]" 1 1580 1 103 ILE HG12 1 103 ILE MG . . 3.260 2.199 2.199 2.199 . 0 0 "[ ]" 1 1581 1 36 LEU HB2 1 52 ILE MG . . 4.380 2.771 2.771 2.771 . 0 0 "[ ]" 1 1582 1 50 ILE MG 1 84 ARG HA . . 3.960 3.347 3.347 3.347 . 0 0 "[ ]" 1 1583 1 50 ILE MG 1 73 ILE HB . . 3.560 1.966 1.966 1.966 . 0 0 "[ ]" 1 1584 1 50 ILE MG 1 84 ARG HG3 . . 4.190 4.197 4.197 4.197 0.007 1 0 "[ ]" 1 1585 1 50 ILE HG13 1 50 ILE MG . . 3.190 2.602 2.602 2.602 . 0 0 "[ ]" 1 1586 1 39 CYS H 1 50 ILE MG . . 4.180 3.464 3.464 3.464 . 0 0 "[ ]" 1 1587 1 104 ALA HA 1 105 ARG H . . 3.010 2.190 2.190 2.190 . 0 0 "[ ]" 1 1588 1 20 LEU HG 1 104 ALA HA . . 4.450 3.754 3.754 3.754 . 0 0 "[ ]" 1 1589 1 18 LEU QB 1 104 ALA HA . . 4.340 4.257 4.257 4.257 . 0 0 "[ ]" 1 1590 1 40 TYR HB3 1 48 ILE MG . . 4.540 3.654 3.654 3.654 . 0 0 "[ ]" 1 1591 1 40 TYR HB2 1 48 ILE MG . . 4.600 4.604 4.604 4.604 0.004 1 0 "[ ]" 1 1592 1 73 ILE H 1 73 ILE MG . . 4.070 3.566 3.566 3.566 . 0 0 "[ ]" 1 1593 1 73 ILE MG 1 76 ILE H . . 4.480 4.525 4.525 4.525 0.045 1 0 "[ ]" 1 1594 1 73 ILE MG 1 101 LEU HA . . 4.580 4.467 4.467 4.467 . 0 0 "[ ]" 1 1595 1 73 ILE MG 1 76 ILE HA . . 4.350 4.205 4.205 4.205 . 0 0 "[ ]" 1 1596 1 73 ILE HG13 1 73 ILE MG . . 2.610 2.699 2.699 2.699 0.089 1 0 "[ ]" 1 1597 1 73 ILE MG 1 74 ILE H . . 3.480 2.396 2.396 2.396 . 0 0 "[ ]" 1 1598 1 73 ILE MG 1 75 GLN H . . 3.650 2.929 2.929 2.929 . 0 0 "[ ]" 1 1599 1 73 ILE MG 1 75 GLN HA . . 4.000 3.630 3.630 3.630 . 0 0 "[ ]" 1 1600 1 73 ILE MG 1 74 ILE HA . . 4.410 3.572 3.572 3.572 . 0 0 "[ ]" 1 1601 1 73 ILE HA 1 73 ILE MG . . 3.190 2.619 2.619 2.619 . 0 0 "[ ]" 1 1602 1 73 ILE MG 1 101 LEU HG . . 3.620 4.510 4.510 4.510 0.890 1 1 [+] 1 1603 1 73 ILE MG 1 76 ILE HG13 . . 2.680 2.562 2.562 2.562 . 0 0 "[ ]" 1 1604 1 88 VAL H 1 89 ALA MB . . 4.190 3.860 3.860 3.860 . 0 0 "[ ]" 1 1605 1 89 ALA MB 1 91 LEU H . . 4.460 4.469 4.469 4.469 0.009 1 0 "[ ]" 1 1606 1 89 ALA H 1 89 ALA MB . . 2.730 2.103 2.103 2.103 . 0 0 "[ ]" 1 1607 1 89 ALA MB 1 90 LEU H . . 3.190 2.375 2.375 2.375 . 0 0 "[ ]" 1 1608 1 86 GLU HG2 1 89 ALA MB . . 4.520 4.564 4.564 4.564 0.044 1 0 "[ ]" 1 1609 1 86 GLU HG3 1 89 ALA MB . . 4.400 3.549 3.549 3.549 . 0 0 "[ ]" 1 1610 1 89 ALA MB 1 90 LEU HB2 . . 3.640 3.897 3.897 3.897 0.257 1 0 "[ ]" 1 1611 1 89 ALA MB 1 90 LEU HG . . 4.330 4.335 4.335 4.335 0.005 1 0 "[ ]" 1 1612 1 48 ILE MG 1 49 GLY H . . 3.840 1.970 1.970 1.970 . 0 0 "[ ]" 1 1613 1 48 ILE H 1 48 ILE MG . . 3.570 3.709 3.709 3.709 0.139 1 0 "[ ]" 1 1614 1 42 THR HA 1 48 ILE MG . . 4.340 2.134 2.134 2.134 . 0 0 "[ ]" 1 1615 1 48 ILE HA 1 48 ILE MG . . 3.150 2.408 2.408 2.408 . 0 0 "[ ]" 1 1616 1 74 ILE H 1 74 ILE MG . . 3.840 3.758 3.758 3.758 . 0 0 "[ ]" 1 1617 1 74 ILE MG 1 75 GLN H . . 3.800 3.328 3.328 3.328 . 0 0 "[ ]" 1 1618 1 74 ILE MG 1 75 GLN HE21 . . 4.070 2.059 2.059 2.059 . 0 0 "[ ]" 1 1619 1 74 ILE MG 1 75 GLN HE22 . . 4.620 3.142 3.142 3.142 . 0 0 "[ ]" 1 1620 1 74 ILE MG 1 75 GLN HA . . 4.120 3.931 3.931 3.931 . 0 0 "[ ]" 1 1621 1 74 ILE MG 1 80 GLU HA . . 4.300 4.396 4.396 4.396 0.096 1 0 "[ ]" 1 1622 1 74 ILE HA 1 74 ILE MG . . 3.080 2.505 2.505 2.505 . 0 0 "[ ]" 1 1623 1 74 ILE MG 1 80 GLU HG2 . . 4.030 4.085 4.085 4.085 0.055 1 0 "[ ]" 1 1624 1 74 ILE MG 1 75 GLN HG3 . . 3.100 1.968 1.968 1.968 . 0 0 "[ ]" 1 1625 1 74 ILE MG 1 75 GLN HG2 . . 3.470 3.525 3.525 3.525 0.055 1 0 "[ ]" 1 1626 1 55 ILE H 1 55 ILE MD . . 4.120 4.218 4.218 4.218 0.098 1 0 "[ ]" 1 1627 1 55 ILE MD 1 61 ALA H . . 4.510 4.358 4.358 4.358 . 0 0 "[ ]" 1 1628 1 55 ILE MD 1 62 ALA H . . 3.740 2.754 2.754 2.754 . 0 0 "[ ]" 1 1629 1 55 ILE MD 1 59 SER H . . 4.720 4.752 4.752 4.752 0.032 1 0 "[ ]" 1 1630 1 55 ILE MD 1 59 SER HG . . 4.310 3.144 3.144 3.144 . 0 0 "[ ]" 1 1631 1 55 ILE HA 1 55 ILE MD . . 3.320 2.548 2.548 2.548 . 0 0 "[ ]" 1 1632 1 55 ILE MD 1 62 ALA HA . . 3.370 2.969 2.969 2.969 . 0 0 "[ ]" 1 1633 1 55 ILE MD 1 59 SER HB3 . . 4.420 4.360 4.360 4.360 . 0 0 "[ ]" 1 1634 1 9 ILE H 1 9 ILE MG . . 3.640 2.504 2.504 2.504 . 0 0 "[ ]" 1 1635 1 79 ILE HA 1 79 ILE MG . . 2.890 2.572 2.572 2.572 . 0 0 "[ ]" 1 1636 1 79 ILE MG 1 80 GLU HB2 . . 3.910 3.931 3.931 3.931 0.021 1 0 "[ ]" 1 1637 1 9 ILE MG 1 10 HIS H . . 4.620 4.284 4.284 4.284 . 0 0 "[ ]" 1 1638 1 55 ILE MD 1 56 ASP H . . 3.640 2.569 2.569 2.569 . 0 0 "[ ]" 1 1639 1 55 ILE MD 1 56 ASP QB . . 4.360 3.517 3.517 3.517 . 0 0 "[ ]" 1 1640 1 55 ILE MD 1 62 ALA MB . . 2.690 2.727 2.727 2.727 0.037 1 0 "[ ]" 1 1641 1 55 ILE MD 1 61 ALA MB . . 3.050 2.349 2.349 2.349 . 0 0 "[ ]" 1 1642 1 13 MET HA 1 13 MET ME . . 4.800 4.104 4.104 4.104 . 0 0 "[ ]" 1 1643 1 76 ILE MG 1 77 ASN H . . 3.630 3.108 3.108 3.108 . 0 0 "[ ]" 1 1644 1 76 ILE MG 1 100 SER H . . 4.740 4.182 4.182 4.182 . 0 0 "[ ]" 1 1645 1 76 ILE MG 1 99 PHE QE . . 4.590 4.185 4.185 4.185 . 0 0 "[ ]" 1 1646 1 76 ILE MG 1 99 PHE QD . . 3.670 3.156 3.156 3.156 . 0 0 "[ ]" 1 1647 1 76 ILE MG 1 77 ASN HD22 . . 4.360 4.410 4.410 4.410 0.050 1 0 "[ ]" 1 1648 1 76 ILE MG 1 101 LEU HA . . 4.430 3.563 3.563 3.563 . 0 0 "[ ]" 1 1649 1 76 ILE HA 1 76 ILE MG . . 3.230 2.489 2.489 2.489 . 0 0 "[ ]" 1 1650 1 76 ILE MG 1 77 ASN HB3 . . 3.970 4.086 4.086 4.086 0.116 1 0 "[ ]" 1 1651 1 76 ILE MG 1 99 PHE HB3 . . 4.570 4.172 4.172 4.172 . 0 0 "[ ]" 1 1652 1 76 ILE MG 1 90 LEU HB2 . . 3.780 3.354 3.354 3.354 . 0 0 "[ ]" 1 1653 1 76 ILE MG 1 91 LEU HG . . 3.970 4.010 4.010 4.010 0.040 1 0 "[ ]" 1 1654 1 76 ILE MG 1 90 LEU HB3 . . 3.420 1.948 1.948 1.948 . 0 0 "[ ]" 1 1655 1 76 ILE MG 1 77 ASN HD21 . . 3.980 2.890 2.890 2.890 . 0 0 "[ ]" 1 1656 1 76 ILE MG 1 77 ASN HB2 . . 4.390 2.576 2.576 2.576 . 0 0 "[ ]" 1 1657 1 76 ILE HG12 1 76 ILE MG . . 3.510 2.392 2.392 2.392 . 0 0 "[ ]" 1 1658 1 76 ILE H 1 79 ILE MG . . 4.610 3.752 3.752 3.752 . 0 0 "[ ]" 1 1659 1 79 ILE MG 1 80 GLU H . . 3.200 2.279 2.279 2.279 . 0 0 "[ ]" 1 1660 1 79 ILE MG 1 81 VAL H . . 4.360 3.656 3.656 3.656 . 0 0 "[ ]" 1 1661 1 79 ILE MG 1 80 GLU HA . . 4.510 3.643 3.643 3.643 . 0 0 "[ ]" 1 1662 1 28 MET HA 1 28 MET ME . . 4.310 2.938 2.938 2.938 . 0 0 "[ ]" 1 1663 1 79 ILE HG12 1 79 ILE MG . . 3.130 2.751 2.751 2.751 . 0 0 "[ ]" 1 1664 1 79 ILE HG13 1 79 ILE MG . . 3.360 3.158 3.158 3.158 . 0 0 "[ ]" 1 1665 1 74 ILE QG 1 74 ILE MG . . 2.890 2.245 2.245 2.245 . 0 0 "[ ]" 1 1666 1 19 GLU HB2 1 105 ARG QG . . 4.170 4.038 4.038 4.038 . 0 0 "[ ]" 1 1667 1 19 GLU HB3 1 105 ARG QG . . 4.240 3.896 3.896 3.896 . 0 0 "[ ]" 1 1668 1 20 LEU MD2 1 104 ALA MB . . 2.710 2.212 2.212 2.212 . 0 0 "[ ]" 1 1669 1 21 GLU HA 1 22 GLU QG . . 4.590 5.499 5.499 5.499 0.909 1 1 [+] 1 1670 1 26 TYR QB 1 28 MET ME . . 4.260 4.903 4.903 4.903 0.643 1 1 [+] 1 1671 1 34 LEU QD 1 91 LEU MD1 . . 2.860 2.004 2.004 2.004 . 0 0 "[ ]" 1 1672 1 34 LEU QD 1 36 LEU QD . . 2.980 1.982 1.982 1.982 . 0 0 "[ ]" 1 1673 1 34 LEU QD 1 60 ILE MD . . 3.170 2.618 2.618 2.618 . 0 0 "[ ]" 1 1674 1 35 GLY HA2 1 56 ASP QB . . 4.410 3.190 3.190 3.190 . 0 0 "[ ]" 1 1675 1 38 VAL QG 1 88 VAL QG . . 2.950 1.630 1.630 1.630 . 0 0 "[ ]" 1 1676 1 38 VAL QG 1 84 ARG HG3 . . 3.470 2.393 2.393 2.393 . 0 0 "[ ]" 1 1677 1 42 THR MG 1 48 ILE MD . . 4.050 3.401 3.401 3.401 . 0 0 "[ ]" 1 1678 1 48 ILE HG12 1 48 ILE MG . . 3.580 1.998 1.998 1.998 . 0 0 "[ ]" 1 1679 1 48 ILE HG13 1 48 ILE MG . . 3.150 2.994 2.994 2.994 . 0 0 "[ ]" 1 1680 1 55 ILE MD 1 69 GLU QG . . 4.590 4.169 4.169 4.169 . 0 0 "[ ]" 1 1681 1 69 GLU HA 1 69 GLU QG . . 3.440 2.450 2.450 2.450 . 0 0 "[ ]" 1 1682 1 52 ILE HG13 1 73 ILE MD . . 3.670 2.463 2.463 2.463 . 0 0 "[ ]" 1 1683 1 73 ILE MD 1 74 ILE H . . 4.760 4.742 4.742 4.742 . 0 0 "[ ]" 1 1684 1 90 LEU HB3 1 90 LEU MD2 . . 3.120 2.302 2.302 2.302 . 0 0 "[ ]" 1 1685 1 76 ILE HB 1 90 LEU MD2 . . 4.060 3.079 3.079 3.079 . 0 0 "[ ]" 1 1686 1 91 LEU HB2 1 92 THR MG . . 3.850 2.843 2.843 2.843 . 0 0 "[ ]" 1 1687 1 77 ASN HA 1 100 SER HB2 . . 3.660 2.245 2.245 2.245 . 0 0 "[ ]" 1 1688 1 102 LEU HB3 1 102 LEU MD1 . . 2.930 2.374 2.374 2.374 . 0 0 "[ ]" 1 1689 1 18 LEU QD 1 106 PRO HA . . 4.400 2.609 2.609 2.609 . 0 0 "[ ]" 1 1690 1 74 ILE MD 1 74 ILE MG . . 2.820 2.238 2.238 2.238 . 0 0 "[ ]" 1 1691 1 75 GLN HB3 1 102 LEU HB2 . . 4.480 4.171 4.171 4.171 . 0 0 "[ ]" 1 1692 1 63 LYS H 1 63 LYS HD2 . . 4.840 4.595 4.595 4.595 . 0 0 "[ ]" 1 1693 1 106 PRO HG2 1 107 GLU H . . 4.990 5.060 5.060 5.060 0.070 1 0 "[ ]" 1 1694 1 91 LEU HB3 1 91 LEU MD2 . . 3.110 3.188 3.188 3.188 0.078 1 0 "[ ]" 1 1695 1 66 ARG HB3 1 66 ARG HD2 . . 4.240 3.129 3.129 3.129 . 0 0 "[ ]" 1 1696 1 41 ARG QD 1 51 TYR QE . . 4.980 3.942 3.942 3.942 . 0 0 "[ ]" 1 1697 1 75 GLN HB2 1 102 LEU H . . 4.840 4.562 4.562 4.562 . 0 0 "[ ]" 1 1698 1 109 GLN HB2 1 110 LEU H . . 4.380 4.175 4.175 4.175 . 0 0 "[ ]" 1 1699 1 97 LYS HB3 1 97 LYS QD . . 3.430 1.984 1.984 1.984 . 0 0 "[ ]" 1 1700 1 33 LYS H 1 33 LYS HE2 . . 5.200 4.790 4.790 4.790 . 0 0 "[ ]" 1 1701 1 59 SER H 1 63 LYS QE . . 5.020 3.779 3.779 3.779 . 0 0 "[ ]" 1 1702 1 12 GLU HA 1 13 MET H . . 2.790 2.281 2.281 2.281 . 0 0 "[ ]" 1 1703 1 51 TYR HA 1 52 ILE H . . 3.220 2.421 2.421 2.421 . 0 0 "[ ]" 1 1704 1 20 LEU HB3 1 20 LEU MD2 . . 2.910 2.390 2.390 2.390 . 0 0 "[ ]" 1 1705 1 20 LEU HA 1 104 ALA MB . . 3.920 3.957 3.957 3.957 0.037 1 0 "[ ]" 1 1706 1 76 ILE HB 1 81 VAL MG1 . . 3.890 2.901 2.901 2.901 . 0 0 "[ ]" 1 1707 1 76 ILE HG12 1 81 VAL MG1 . . 3.740 3.795 3.795 3.795 0.055 1 0 "[ ]" 1 1708 1 25 LEU HB2 1 60 ILE MG . . 3.510 3.224 3.224 3.224 . 0 0 "[ ]" 1 1709 1 48 ILE MG 1 49 GLY HA2 . . 4.880 3.931 3.931 3.931 . 0 0 "[ ]" 1 1710 1 49 GLY HA2 1 50 ILE MD . . 4.830 3.212 3.212 3.212 . 0 0 "[ ]" 1 1711 1 51 TYR HB3 1 52 ILE H . . 3.670 2.665 2.665 2.665 . 0 0 "[ ]" 1 1712 1 68 ARG H 1 68 ARG HD3 . . 4.930 4.882 4.882 4.882 . 0 0 "[ ]" 1 1713 1 68 ARG H 1 68 ARG HD2 . . 5.070 4.467 4.467 4.467 . 0 0 "[ ]" 1 1714 1 68 ARG HB2 1 68 ARG HD2 . . 3.510 2.703 2.703 2.703 . 0 0 "[ ]" 1 1715 1 25 LEU H 1 25 LEU HG . . 3.750 2.817 2.817 2.817 . 0 0 "[ ]" 1 1716 1 99 PHE QD 1 100 SER H . . 4.550 4.355 4.355 4.355 . 0 0 "[ ]" 1 1717 1 22 GLU HB3 1 23 VAL H . . 4.690 4.143 4.143 4.143 . 0 0 "[ ]" 1 1718 1 37 THR HB 1 54 GLU HG2 . . 4.710 4.882 4.882 4.882 0.172 1 0 "[ ]" 1 1719 1 37 THR MG 1 54 GLU HG2 . . 4.600 4.667 4.667 4.667 0.067 1 0 "[ ]" 1 1720 1 41 ARG HG3 1 51 TYR QD . . 4.400 2.300 2.300 2.300 . 0 0 "[ ]" 1 1721 1 30 SER HA 1 32 ASP H . . 4.400 3.384 3.384 3.384 . 0 0 "[ ]" 1 1722 1 23 VAL HB 1 24 ASP H . . 5.020 4.406 4.406 4.406 . 0 0 "[ ]" 1 1723 1 63 LYS HB2 1 63 LYS QE . . 4.430 4.020 4.020 4.020 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 6 _Distance_constraint_stats_list.Viol_count 5 _Distance_constraint_stats_list.Viol_total 0.753 _Distance_constraint_stats_list.Viol_max 0.214 _Distance_constraint_stats_list.Viol_rms 0.0960 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1256 _Distance_constraint_stats_list.Viol_average_violations_only 0.1507 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 37 THR 0.036 0.036 1 0 "[ ]" 1 39 CYS 0.391 0.205 1 0 "[ ]" 1 51 TYR 0.391 0.205 1 0 "[ ]" 1 54 GLU 0.036 0.036 1 0 "[ ]" 1 75 GLN 0.327 0.214 1 0 "[ ]" 1 102 LEU 0.327 0.214 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 39 CYS H 1 51 TYR O . . 1.800 2.005 2.005 2.005 0.205 1 0 "[ ]" 2 2 1 39 CYS N 1 51 TYR O . . 2.700 2.885 2.885 2.885 0.185 1 0 "[ ]" 2 3 1 37 THR H 1 54 GLU O . . 1.800 1.836 1.836 1.836 0.036 1 0 "[ ]" 2 4 1 37 THR N 1 54 GLU O . . 2.700 2.685 2.685 2.685 . 0 0 "[ ]" 2 5 1 75 GLN O 1 102 LEU H . . 1.800 2.014 2.014 2.014 0.214 1 0 "[ ]" 2 6 1 75 GLN O 1 102 LEU N . . 2.700 2.813 2.813 2.813 0.113 1 0 "[ ]" 2 stop_ save_
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