NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566504 |
2lzj   |
18758 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lzj
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 1535
_Distance_constraint_stats_list.Viol_count 3527
_Distance_constraint_stats_list.Viol_total 5944.498
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0843
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 0.143 0.095 7 0 "[ . 1 . 2]"
1 3 GLY 0.125 0.095 7 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.386 0.088 3 0 "[ . 1 . 2]"
1 6 MET 0.282 0.050 6 0 "[ . 1 . 2]"
1 7 VAL 1.904 0.146 16 0 "[ . 1 . 2]"
1 8 LEU 0.478 0.097 5 0 "[ . 1 . 2]"
1 9 THR 0.087 0.087 9 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.892 0.097 4 0 "[ . 1 . 2]"
1 15 GLN 0.885 0.097 4 0 "[ . 1 . 2]"
1 16 PRO 0.036 0.014 10 0 "[ . 1 . 2]"
1 17 LEU 12.202 0.324 13 0 "[ . 1 . 2]"
1 18 SER 7.269 0.239 12 0 "[ . 1 . 2]"
1 19 ALA 3.169 0.324 13 0 "[ . 1 . 2]"
1 20 MET 5.726 0.203 6 0 "[ . 1 . 2]"
1 21 VAL 10.933 0.376 10 0 "[ . 1 . 2]"
1 22 SER 10.602 0.465 4 0 "[ . 1 . 2]"
1 23 MET 3.457 0.203 7 0 "[ . 1 . 2]"
1 24 VAL 23.466 0.378 18 0 "[ . 1 . 2]"
1 25 THR 4.642 0.185 5 0 "[ . 1 . 2]"
1 26 LYS 3.608 0.404 6 0 "[ . 1 . 2]"
1 27 ASP 0.795 0.116 8 0 "[ . 1 . 2]"
1 28 ASN 0.100 0.072 17 0 "[ . 1 . 2]"
1 29 PRO 1.063 0.248 14 0 "[ . 1 . 2]"
1 30 GLY 5.820 0.300 3 0 "[ . 1 . 2]"
1 31 VAL 7.044 0.213 5 0 "[ . 1 . 2]"
1 32 VAL 18.534 0.378 18 0 "[ . 1 . 2]"
1 33 THR 1.167 0.144 2 0 "[ . 1 . 2]"
1 34 CYS 3.706 0.283 6 0 "[ . 1 . 2]"
1 35 LEU 9.867 0.465 4 0 "[ . 1 . 2]"
1 36 ASP 1.441 0.200 1 0 "[ . 1 . 2]"
1 37 GLU 1.801 0.185 2 0 "[ . 1 . 2]"
1 38 ALA 2.129 0.203 6 0 "[ . 1 . 2]"
1 39 ARG 2.405 0.206 19 0 "[ . 1 . 2]"
1 40 HIS 2.737 0.202 3 0 "[ . 1 . 2]"
1 41 GLY 6.535 0.285 13 0 "[ . 1 . 2]"
1 42 PHE 11.486 0.333 9 0 "[ . 1 . 2]"
1 43 GLU 3.683 0.182 7 0 "[ . 1 . 2]"
1 44 THR 3.044 0.182 7 0 "[ . 1 . 2]"
1 45 GLY 2.043 0.187 3 0 "[ . 1 . 2]"
1 46 ASP 4.402 0.187 3 0 "[ . 1 . 2]"
1 47 PHE 0.595 0.085 15 0 "[ . 1 . 2]"
1 48 VAL 10.703 0.288 10 0 "[ . 1 . 2]"
1 49 SER 3.911 0.328 15 0 "[ . 1 . 2]"
1 50 PHE 11.972 0.247 19 0 "[ . 1 . 2]"
1 51 SER 2.770 0.258 10 0 "[ . 1 . 2]"
1 52 GLU 1.638 0.161 2 0 "[ . 1 . 2]"
1 53 VAL 17.819 0.258 10 0 "[ . 1 . 2]"
1 54 GLN 2.013 0.227 8 0 "[ . 1 . 2]"
1 55 GLY 2.292 0.217 8 0 "[ . 1 . 2]"
1 56 MET 9.550 0.317 7 0 "[ . 1 . 2]"
1 57 ILE 7.814 0.418 9 0 "[ . 1 . 2]"
1 58 GLN 3.967 0.141 18 0 "[ . 1 . 2]"
1 59 LEU 14.177 0.247 19 0 "[ . 1 . 2]"
1 60 ASN 1.300 0.130 1 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.162 0.034 18 0 "[ . 1 . 2]"
1 63 GLN 3.298 0.172 8 0 "[ . 1 . 2]"
1 64 PRO 7.594 0.328 15 0 "[ . 1 . 2]"
1 65 MET 5.449 0.194 2 0 "[ . 1 . 2]"
1 66 GLU 0.582 0.082 1 0 "[ . 1 . 2]"
1 67 ILE 18.337 0.333 9 0 "[ . 1 . 2]"
1 68 LYS 0.326 0.072 4 0 "[ . 1 . 2]"
1 69 VAL 8.591 0.216 2 0 "[ . 1 . 2]"
1 70 LEU 6.490 0.321 19 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 2.341 0.221 18 0 "[ . 1 . 2]"
1 73 TYR 5.007 0.221 18 0 "[ . 1 . 2]"
1 74 THR 2.756 0.209 5 0 "[ . 1 . 2]"
1 75 PHE 34.537 0.387 13 0 "[ . 1 . 2]"
1 76 SER 7.351 0.282 17 0 "[ . 1 . 2]"
1 77 ILE 23.713 0.377 20 0 "[ . 1 . 2]"
1 78 CYS 5.930 0.250 9 0 "[ . 1 . 2]"
1 79 ASP 8.900 0.316 6 0 "[ . 1 . 2]"
1 80 THR 13.796 0.396 19 0 "[ . 1 . 2]"
1 81 SER 6.472 0.404 6 0 "[ . 1 . 2]"
1 82 ASN 3.750 0.291 6 0 "[ . 1 . 2]"
1 83 PHE 21.057 0.387 13 0 "[ . 1 . 2]"
1 84 SER 11.664 0.418 9 0 "[ . 1 . 2]"
1 85 ASP 6.585 0.273 3 0 "[ . 1 . 2]"
1 86 TYR 5.232 0.317 7 0 "[ . 1 . 2]"
1 87 ILE 7.655 0.430 13 0 "[ . 1 . 2]"
1 88 ARG 9.127 0.430 13 0 "[ . 1 . 2]"
1 89 GLY 3.177 0.266 10 0 "[ . 1 . 2]"
1 90 GLY 7.854 0.249 14 0 "[ . 1 . 2]"
1 91 ILE 3.725 0.161 2 0 "[ . 1 . 2]"
1 92 VAL 5.500 0.137 8 0 "[ . 1 . 2]"
1 93 SER 4.943 0.239 12 0 "[ . 1 . 2]"
1 94 GLN 7.385 0.386 4 0 "[ . 1 . 2]"
1 95 VAL 8.048 0.386 4 0 "[ . 1 . 2]"
1 96 LYS 2.815 0.160 3 0 "[ . 1 . 2]"
1 97 VAL 5.158 0.244 7 0 "[ . 1 . 2]"
1 98 PRO 1.273 0.214 13 0 "[ . 1 . 2]"
1 99 LYS 0.227 0.063 11 0 "[ . 1 . 2]"
1 100 LYS 1.045 0.150 17 0 "[ . 1 . 2]"
1 101 ILE 2.124 0.150 17 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.276 0.119 14 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.347 0.152 1 0 "[ . 1 . 2]"
1 111 VAL 1.320 0.171 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PHE H 1 2 PHE HB2 4.640 2.200 4.640 3.165 2.205 3.899 . 0 0 "[ . 1 . 2]" 1
2 1 2 PHE H 1 2 PHE HB3 4.640 2.200 4.640 3.491 2.384 4.106 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE H 1 2 PHE QB 3.950 2.200 3.950 2.836 2.183 3.445 0.017 12 0 "[ . 1 . 2]" 1
4 1 2 PHE HA 1 3 GLY HA2 6.000 2.200 6.000 4.671 4.109 4.909 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE HA 1 3 GLY HA3 6.000 2.200 6.000 5.050 4.350 5.378 . 0 0 "[ . 1 . 2]" 1
6 1 2 PHE QB 1 3 GLY H 4.530 2.200 4.530 2.902 2.105 3.876 0.095 7 0 "[ . 1 . 2]" 1
7 1 4 GLU QB 1 5 GLU H 4.700 2.200 4.700 2.838 2.354 3.749 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU HG2 5.930 2.200 5.930 3.507 2.160 4.636 0.040 13 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU HG3 5.930 2.200 5.930 2.651 2.132 4.480 0.068 3 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU QB 3.860 2.200 3.860 2.435 2.267 2.837 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU H 1 5 GLU QG 5.150 2.200 5.150 2.457 2.112 4.057 0.088 3 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 6 MET H 4.860 2.200 4.860 2.579 2.368 2.723 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HA 1 6 MET H 3.510 2.200 3.510 3.486 3.359 3.538 0.028 1 0 "[ . 1 . 2]" 1
14 1 6 MET H 1 6 MET QB 4.140 2.200 4.140 2.397 2.277 2.500 . 0 0 "[ . 1 . 2]" 1
15 1 6 MET HA 1 6 MET QG 4.160 2.200 4.160 2.531 2.241 3.039 . 0 0 "[ . 1 . 2]" 1
16 1 6 MET HA 1 7 VAL H 3.400 2.200 3.400 2.255 2.150 2.433 0.050 6 0 "[ . 1 . 2]" 1
17 1 6 MET QB 1 7 VAL H 4.590 2.200 4.590 3.523 2.664 4.038 . 0 0 "[ . 1 . 2]" 1
18 1 7 VAL H 1 7 VAL MG1 5.220 2.200 5.220 3.009 2.127 3.928 0.073 17 0 "[ . 1 . 2]" 1
19 1 7 VAL H 1 7 VAL MG2 5.220 2.200 5.220 2.532 2.144 4.022 0.056 4 0 "[ . 1 . 2]" 1
20 1 7 VAL H 1 7 VAL QG 4.610 2.200 4.610 2.229 2.054 2.958 0.146 16 0 "[ . 1 . 2]" 1
21 1 7 VAL H 1 8 LEU H 5.620 2.200 5.620 4.312 3.688 4.496 . 0 0 "[ . 1 . 2]" 1
22 1 7 VAL HA 1 8 LEU H 3.390 2.200 3.390 2.277 2.133 2.573 0.067 10 0 "[ . 1 . 2]" 1
23 1 7 VAL HB 1 8 LEU H 4.890 2.200 4.890 3.330 2.231 4.357 . 0 0 "[ . 1 . 2]" 1
24 1 7 VAL MG1 1 8 LEU H 5.420 2.200 5.420 3.629 2.566 4.250 . 0 0 "[ . 1 . 2]" 1
25 1 7 VAL MG2 1 8 LEU H 5.420 2.200 5.420 3.666 2.183 4.383 0.017 1 0 "[ . 1 . 2]" 1
26 1 7 VAL QG 1 8 LEU H 4.520 2.200 4.520 3.124 2.162 3.748 0.038 1 0 "[ . 1 . 2]" 1
27 1 8 LEU H 1 8 LEU HB2 4.160 2.200 4.160 2.520 2.275 2.731 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU H 1 8 LEU HB3 4.160 2.200 4.160 3.581 2.466 3.807 . 0 0 "[ . 1 . 2]" 1
29 1 8 LEU H 1 8 LEU QB 3.590 2.200 3.590 2.458 2.249 2.673 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU H 1 8 LEU QD 5.270 2.200 5.270 2.904 2.103 3.759 0.097 5 0 "[ . 1 . 2]" 1
31 1 8 LEU H 1 9 THR H 5.110 2.200 5.110 4.066 3.321 4.609 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU HB2 1 9 THR H 5.370 2.200 5.370 4.329 3.751 4.556 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU HB3 1 9 THR H 5.370 2.200 5.370 3.811 2.669 4.434 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU QB 1 9 THR H 4.660 2.200 4.660 3.550 2.615 3.966 . 0 0 "[ . 1 . 2]" 1
35 1 9 THR H 1 9 THR MG 5.010 2.200 5.010 3.233 2.113 3.840 0.087 9 0 "[ . 1 . 2]" 1
36 1 13 GLY QA 1 14 GLU H 3.620 2.200 3.620 2.717 2.468 2.928 . 0 0 "[ . 1 . 2]" 1
37 1 14 GLU H 1 14 GLU HB2 4.350 2.200 4.350 2.571 2.397 3.646 . 0 0 "[ . 1 . 2]" 1
38 1 14 GLU H 1 14 GLU HB3 4.350 2.200 4.350 3.582 2.698 3.835 . 0 0 "[ . 1 . 2]" 1
39 1 14 GLU H 1 14 GLU HG2 6.000 2.200 6.000 3.365 2.142 4.170 0.058 20 0 "[ . 1 . 2]" 1
40 1 14 GLU H 1 14 GLU HG3 6.000 2.200 6.000 2.956 2.180 4.599 0.020 15 0 "[ . 1 . 2]" 1
41 1 14 GLU H 1 14 GLU QB 3.790 2.200 3.790 2.478 2.365 2.752 . 0 0 "[ . 1 . 2]" 1
42 1 14 GLU H 1 14 GLU QG 5.130 2.200 5.130 2.546 2.128 3.585 0.072 20 0 "[ . 1 . 2]" 1
43 1 14 GLU H 1 15 GLN H 4.850 2.200 4.850 4.406 4.139 4.605 . 0 0 "[ . 1 . 2]" 1
44 1 14 GLU HA 1 15 GLN H 3.680 2.200 3.680 2.188 2.103 2.375 0.097 4 0 "[ . 1 . 2]" 1
45 1 15 GLN H 1 15 GLN QB 3.630 2.200 3.630 2.608 2.156 3.141 0.044 8 0 "[ . 1 . 2]" 1
46 1 15 GLN H 1 15 GLN QG 4.680 2.200 4.680 2.501 2.132 3.936 0.068 15 0 "[ . 1 . 2]" 1
47 1 15 GLN H 1 16 PRO QD 5.250 2.200 5.250 4.302 3.825 4.505 . 0 0 "[ . 1 . 2]" 1
48 1 16 PRO HA 1 17 LEU H 3.200 2.200 3.200 2.281 2.186 2.681 0.014 10 0 "[ . 1 . 2]" 1
49 1 16 PRO HB2 1 17 LEU H 4.380 2.200 4.380 3.780 3.248 4.378 . 0 0 "[ . 1 . 2]" 1
50 1 16 PRO HB3 1 17 LEU H 4.930 2.200 4.930 3.675 3.192 4.642 . 0 0 "[ . 1 . 2]" 1
51 1 16 PRO QD 1 17 LEU H 5.460 2.200 5.460 4.880 3.891 5.031 . 0 0 "[ . 1 . 2]" 1
52 1 17 LEU H 1 17 LEU HB2 3.430 2.200 3.430 2.241 2.130 2.763 0.070 15 0 "[ . 1 . 2]" 1
53 1 17 LEU H 1 17 LEU HB3 3.530 2.200 3.530 3.212 2.734 3.581 0.051 13 0 "[ . 1 . 2]" 1
54 1 17 LEU H 1 17 LEU HG 5.400 2.200 5.400 4.460 4.093 4.849 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU H 1 17 LEU MD1 4.840 2.200 4.840 4.197 3.969 4.332 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU H 1 17 LEU MD2 4.580 2.200 4.580 3.075 2.395 4.104 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU H 1 18 SER H 5.130 2.200 5.130 4.485 4.229 4.621 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU H 1 18 SER QB 5.840 2.200 5.840 5.801 5.082 6.056 0.216 7 0 "[ . 1 . 2]" 1
59 1 17 LEU H 1 42 PHE HE1 4.970 2.200 4.970 4.615 3.791 5.108 0.138 5 0 "[ . 1 . 2]" 1
60 1 17 LEU H 1 94 GLN HB3 5.040 2.200 5.040 3.965 2.060 5.168 0.140 10 0 "[ . 1 . 2]" 1
61 1 17 LEU H 1 94 GLN HE21 6.000 2.200 6.000 5.139 3.578 6.113 0.113 10 0 "[ . 1 . 2]" 1
62 1 17 LEU H 1 94 GLN HE22 6.000 2.200 6.000 5.010 3.730 6.012 0.012 10 0 "[ . 1 . 2]" 1
63 1 17 LEU H 1 94 GLN HG2 5.600 2.200 5.600 3.486 2.307 5.281 . 0 0 "[ . 1 . 2]" 1
64 1 17 LEU H 1 94 GLN HG3 5.600 2.200 5.600 3.507 2.141 5.594 0.059 18 0 "[ . 1 . 2]" 1
65 1 17 LEU H 1 94 GLN QG 4.730 2.200 4.730 2.979 2.107 4.409 0.093 1 0 "[ . 1 . 2]" 1
66 1 17 LEU HA 1 17 LEU MD1 4.890 2.200 4.890 2.247 2.052 2.802 0.148 17 0 "[ . 1 . 2]" 1
67 1 17 LEU HA 1 17 LEU MD2 3.640 2.200 3.640 2.156 2.039 2.237 0.161 20 0 "[ . 1 . 2]" 1
68 1 17 LEU HA 1 18 SER H 3.130 2.200 3.130 2.168 2.120 2.260 0.080 17 0 "[ . 1 . 2]" 1
69 1 17 LEU HB2 1 17 LEU MD1 4.440 2.200 4.440 3.214 3.175 3.239 . 0 0 "[ . 1 . 2]" 1
70 1 17 LEU HB2 1 17 LEU MD2 4.310 2.200 4.310 2.336 2.205 2.458 . 0 0 "[ . 1 . 2]" 1
71 1 17 LEU HB2 1 18 SER H 5.130 2.200 5.130 4.446 4.087 4.620 . 0 0 "[ . 1 . 2]" 1
72 1 17 LEU HB2 1 42 PHE HE1 4.910 2.200 4.910 4.060 2.661 4.852 . 0 0 "[ . 1 . 2]" 1
73 1 17 LEU HB3 1 17 LEU MD1 4.480 2.200 4.480 2.334 2.166 2.493 0.034 13 0 "[ . 1 . 2]" 1
74 1 17 LEU HB3 1 18 SER H 4.650 2.200 4.650 3.690 2.833 4.129 . 0 0 "[ . 1 . 2]" 1
75 1 17 LEU HB3 1 41 GLY H 4.870 2.200 4.870 4.985 4.451 5.155 0.285 13 0 "[ . 1 . 2]" 1
76 1 17 LEU HB3 1 42 PHE HE1 5.190 2.200 5.190 2.817 2.249 3.375 . 0 0 "[ . 1 . 2]" 1
77 1 17 LEU HB3 1 94 GLN HB2 5.150 2.200 5.150 4.498 3.272 5.231 0.081 18 0 "[ . 1 . 2]" 1
78 1 17 LEU MD1 1 18 SER H 4.390 2.200 4.390 2.284 2.011 2.864 0.189 10 0 "[ . 1 . 2]" 1
79 1 17 LEU MD1 1 19 ALA H 4.930 2.200 4.930 4.742 3.442 5.254 0.324 13 0 "[ . 1 . 2]" 1
80 1 17 LEU MD1 1 41 GLY H 4.980 2.200 4.980 4.304 3.524 5.000 0.020 3 0 "[ . 1 . 2]" 1
81 1 17 LEU MD1 1 41 GLY HA2 5.310 2.200 5.310 4.504 3.275 5.393 0.083 10 0 "[ . 1 . 2]" 1
82 1 17 LEU MD1 1 41 GLY HA3 5.310 2.200 5.310 3.396 2.284 4.339 . 0 0 "[ . 1 . 2]" 1
83 1 17 LEU MD1 1 41 GLY QA 4.650 2.200 4.650 3.299 2.247 4.156 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU MD1 1 42 PHE HD1 5.310 2.200 5.310 4.891 4.450 5.367 0.057 18 0 "[ . 1 . 2]" 1
85 1 17 LEU MD2 1 18 SER H 4.030 2.200 4.030 3.607 2.656 3.986 . 0 0 "[ . 1 . 2]" 1
86 1 18 SER H 1 18 SER QB 3.870 2.200 3.870 2.685 2.397 3.172 . 0 0 "[ . 1 . 2]" 1
87 1 18 SER H 1 19 ALA H 5.050 2.200 5.050 4.377 4.169 4.483 . 0 0 "[ . 1 . 2]" 1
88 1 18 SER H 1 19 ALA MB 5.450 2.200 5.450 4.686 4.082 4.939 . 0 0 "[ . 1 . 2]" 1
89 1 18 SER H 1 42 PHE HE1 5.670 2.200 5.670 4.828 4.142 5.419 . 0 0 "[ . 1 . 2]" 1
90 1 18 SER H 1 42 PHE HZ 5.960 2.200 5.960 5.701 5.084 6.068 0.108 4 0 "[ . 1 . 2]" 1
91 1 18 SER H 1 93 SER HA 5.380 2.200 5.380 4.494 4.342 4.625 . 0 0 "[ . 1 . 2]" 1
92 1 18 SER HA 1 19 ALA H 3.500 2.200 3.500 2.217 2.138 2.322 0.062 4 0 "[ . 1 . 2]" 1
93 1 18 SER HA 1 19 ALA MB 5.190 2.200 5.190 3.852 3.665 3.966 . 0 0 "[ . 1 . 2]" 1
94 1 18 SER HA 1 42 PHE HZ 4.570 2.200 4.570 3.301 2.697 3.977 . 0 0 "[ . 1 . 2]" 1
95 1 18 SER HA 1 91 ILE MG 5.130 2.200 5.130 3.990 3.238 4.645 . 0 0 "[ . 1 . 2]" 1
96 1 18 SER HA 1 92 VAL H 5.850 2.200 5.850 4.680 4.445 5.062 . 0 0 "[ . 1 . 2]" 1
97 1 18 SER HA 1 92 VAL MG1 5.360 2.200 5.360 4.121 3.679 4.587 . 0 0 "[ . 1 . 2]" 1
98 1 18 SER HA 1 93 SER HA 3.950 2.200 3.950 2.039 1.961 2.174 0.239 12 0 "[ . 1 . 2]" 1
99 1 18 SER HA 1 93 SER HB2 4.840 2.200 4.840 4.433 2.974 5.004 0.164 17 0 "[ . 1 . 2]" 1
100 1 18 SER HB2 1 93 SER HA 5.610 2.200 5.610 4.329 2.667 5.152 . 0 0 "[ . 1 . 2]" 1
101 1 18 SER HB3 1 93 SER HA 5.610 2.200 5.610 3.518 2.470 4.262 . 0 0 "[ . 1 . 2]" 1
102 1 18 SER QB 1 19 ALA H 3.750 2.200 3.750 2.850 2.388 3.413 . 0 0 "[ . 1 . 2]" 1
103 1 18 SER QB 1 91 ILE MG 3.880 2.200 3.880 2.555 2.169 3.323 0.031 10 0 "[ . 1 . 2]" 1
104 1 18 SER QB 1 92 VAL H 5.840 2.200 5.840 4.407 3.749 5.073 . 0 0 "[ . 1 . 2]" 1
105 1 18 SER QB 1 93 SER HA 4.840 2.200 4.840 3.325 2.346 4.048 . 0 0 "[ . 1 . 2]" 1
106 1 19 ALA H 1 19 ALA MB 3.890 2.200 3.890 2.579 2.385 2.755 . 0 0 "[ . 1 . 2]" 1
107 1 19 ALA H 1 20 MET H 4.900 2.200 4.900 4.369 4.313 4.433 . 0 0 "[ . 1 . 2]" 1
108 1 19 ALA H 1 42 PHE HZ 4.260 2.200 4.260 3.322 2.754 3.734 . 0 0 "[ . 1 . 2]" 1
109 1 19 ALA H 1 91 ILE HA 5.450 2.200 5.450 4.527 4.286 4.849 . 0 0 "[ . 1 . 2]" 1
110 1 19 ALA H 1 91 ILE MG 4.260 2.200 4.260 3.137 2.585 3.569 . 0 0 "[ . 1 . 2]" 1
111 1 19 ALA H 1 92 VAL HA 5.970 2.200 5.970 4.692 4.548 4.890 . 0 0 "[ . 1 . 2]" 1
112 1 19 ALA H 1 92 VAL MG1 3.990 2.200 3.990 2.858 2.247 3.384 . 0 0 "[ . 1 . 2]" 1
113 1 19 ALA H 1 92 VAL MG2 5.240 2.200 5.240 4.385 3.830 4.796 . 0 0 "[ . 1 . 2]" 1
114 1 19 ALA H 1 93 SER HA 4.300 2.200 4.300 3.429 3.080 3.705 . 0 0 "[ . 1 . 2]" 1
115 1 19 ALA H 1 94 GLN H 6.000 2.200 6.000 5.158 4.711 5.471 . 0 0 "[ . 1 . 2]" 1
116 1 19 ALA MB 1 20 MET H 3.900 2.200 3.900 2.589 2.327 2.910 . 0 0 "[ . 1 . 2]" 1
117 1 19 ALA MB 1 20 MET HA 5.390 2.200 5.390 4.258 4.183 4.342 . 0 0 "[ . 1 . 2]" 1
118 1 19 ALA MB 1 20 MET HB3 5.430 2.200 5.430 5.146 4.156 5.421 . 0 0 "[ . 1 . 2]" 1
119 1 19 ALA MB 1 34 CYS HA 5.640 2.200 5.640 4.323 3.888 4.835 . 0 0 "[ . 1 . 2]" 1
120 1 19 ALA MB 1 34 CYS HB2 4.940 2.200 4.940 3.775 3.400 4.594 . 0 0 "[ . 1 . 2]" 1
121 1 19 ALA MB 1 34 CYS HB3 4.380 2.200 4.380 2.657 2.232 3.331 . 0 0 "[ . 1 . 2]" 1
122 1 19 ALA MB 1 40 HIS H 5.660 2.200 5.660 3.244 2.853 3.620 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA MB 1 40 HIS HA 4.180 2.200 4.180 2.147 1.998 2.353 0.202 3 0 "[ . 1 . 2]" 1
124 1 19 ALA MB 1 40 HIS QB 4.410 2.200 4.410 2.448 2.153 3.114 0.047 17 0 "[ . 1 . 2]" 1
125 1 19 ALA MB 1 41 GLY H 5.230 2.200 5.230 4.795 4.519 5.019 . 0 0 "[ . 1 . 2]" 1
126 1 19 ALA MB 1 42 PHE HE2 4.740 2.200 4.740 4.084 3.471 4.800 0.060 3 0 "[ . 1 . 2]" 1
127 1 19 ALA MB 1 42 PHE HZ 4.380 2.200 4.380 3.439 2.764 4.377 . 0 0 "[ . 1 . 2]" 1
128 1 19 ALA MB 1 92 VAL H 5.070 2.200 5.070 3.932 3.612 4.294 . 0 0 "[ . 1 . 2]" 1
129 1 19 ALA MB 1 92 VAL MG1 3.790 2.200 3.790 2.624 2.217 3.188 . 0 0 "[ . 1 . 2]" 1
130 1 20 MET H 1 20 MET HB2 3.940 2.200 3.940 2.353 2.152 2.694 0.048 12 0 "[ . 1 . 2]" 1
131 1 20 MET H 1 20 MET HB3 3.780 2.200 3.780 3.445 2.452 3.622 . 0 0 "[ . 1 . 2]" 1
132 1 20 MET H 1 20 MET HG2 5.110 2.200 5.110 3.619 2.217 4.666 . 0 0 "[ . 1 . 2]" 1
133 1 20 MET H 1 20 MET HG3 5.110 2.200 5.110 3.346 2.441 4.508 . 0 0 "[ . 1 . 2]" 1
134 1 20 MET H 1 20 MET QG 4.540 2.200 4.540 2.893 2.200 4.032 . 0 0 "[ . 1 . 2]" 1
135 1 20 MET H 1 21 VAL H 5.070 2.200 5.070 4.518 4.436 4.565 . 0 0 "[ . 1 . 2]" 1
136 1 20 MET H 1 35 LEU H 5.030 2.200 5.030 3.999 3.687 4.453 . 0 0 "[ . 1 . 2]" 1
137 1 20 MET H 1 35 LEU HB3 4.870 2.200 4.870 3.267 2.971 3.646 . 0 0 "[ . 1 . 2]" 1
138 1 20 MET H 1 35 LEU MD2 5.320 2.200 5.320 3.809 3.218 4.329 . 0 0 "[ . 1 . 2]" 1
139 1 20 MET H 1 38 ALA MB 3.700 2.200 3.700 2.213 1.997 3.185 0.203 6 0 "[ . 1 . 2]" 1
140 1 20 MET H 1 92 VAL MG1 5.350 2.200 5.350 4.674 4.407 5.002 . 0 0 "[ . 1 . 2]" 1
141 1 20 MET HA 1 20 MET HG2 4.740 2.200 4.740 2.872 2.138 3.684 0.062 13 0 "[ . 1 . 2]" 1
142 1 20 MET HA 1 20 MET HG3 4.740 2.200 4.740 2.931 2.299 3.688 . 0 0 "[ . 1 . 2]" 1
143 1 20 MET HA 1 21 VAL H 3.420 2.200 3.420 2.176 2.137 2.222 0.063 6 0 "[ . 1 . 2]" 1
144 1 20 MET HA 1 21 VAL HB 5.190 2.200 5.190 4.580 4.501 4.671 . 0 0 "[ . 1 . 2]" 1
145 1 20 MET HA 1 21 VAL QG 4.530 2.200 4.530 3.525 3.412 3.643 . 0 0 "[ . 1 . 2]" 1
146 1 20 MET HA 1 35 LEU HB2 5.920 2.200 5.920 4.682 4.424 5.068 . 0 0 "[ . 1 . 2]" 1
147 1 20 MET HA 1 35 LEU HB3 6.000 2.200 6.000 5.035 4.791 5.427 . 0 0 "[ . 1 . 2]" 1
148 1 20 MET HA 1 92 VAL H 4.610 2.200 4.610 3.621 3.392 4.102 . 0 0 "[ . 1 . 2]" 1
149 1 20 MET HB2 1 35 LEU H 5.360 2.200 5.360 3.769 3.154 5.208 . 0 0 "[ . 1 . 2]" 1
150 1 20 MET HB2 1 35 LEU HB2 5.420 2.200 5.420 2.489 2.077 4.061 0.123 5 0 "[ . 1 . 2]" 1
151 1 20 MET HB3 1 21 VAL H 5.310 2.200 5.310 3.312 2.873 4.191 . 0 0 "[ . 1 . 2]" 1
152 1 20 MET HB3 1 22 SER H 6.000 2.200 6.000 5.505 5.104 5.908 . 0 0 "[ . 1 . 2]" 1
153 1 20 MET HB3 1 35 LEU H 4.610 2.200 4.610 4.089 3.423 4.437 . 0 0 "[ . 1 . 2]" 1
154 1 20 MET HB3 1 35 LEU HB2 5.230 2.200 5.230 2.774 2.209 3.398 . 0 0 "[ . 1 . 2]" 1
155 1 20 MET HB3 1 35 LEU HB3 5.000 2.200 5.000 3.676 2.445 4.361 . 0 0 "[ . 1 . 2]" 1
156 1 20 MET HB3 1 38 ALA MB 4.810 2.200 4.810 4.254 3.122 4.841 0.031 5 0 "[ . 1 . 2]" 1
157 1 20 MET ME 1 20 MET HG2 4.480 2.200 4.480 2.731 2.214 3.374 . 0 0 "[ . 1 . 2]" 1
158 1 20 MET HG2 1 21 VAL H 5.210 2.200 5.210 4.408 3.113 5.244 0.034 3 0 "[ . 1 . 2]" 1
159 1 20 MET HG2 1 35 LEU MD1 5.420 2.200 5.420 5.233 4.159 5.605 0.185 10 0 "[ . 1 . 2]" 1
160 1 20 MET ME 1 20 MET HG3 4.480 2.200 4.480 2.755 2.207 3.364 . 0 0 "[ . 1 . 2]" 1
161 1 20 MET HG3 1 21 VAL H 5.210 2.200 5.210 4.529 2.837 5.365 0.155 1 0 "[ . 1 . 2]" 1
162 1 20 MET HG3 1 35 LEU MD1 5.420 2.200 5.420 5.255 4.447 5.508 0.088 11 0 "[ . 1 . 2]" 1
163 1 20 MET ME 1 21 VAL H 5.740 2.200 5.740 4.537 2.291 5.840 0.100 9 0 "[ . 1 . 2]" 1
164 1 20 MET ME 1 20 MET QG 3.960 2.200 3.960 2.222 2.119 2.372 0.081 9 0 "[ . 1 . 2]" 1
165 1 20 MET QG 1 21 VAL H 4.540 2.200 4.540 3.839 2.708 4.653 0.113 6 0 "[ . 1 . 2]" 1
166 1 20 MET QG 1 35 LEU MD2 5.490 2.200 5.490 3.066 2.301 3.651 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL H 1 21 VAL HB 3.600 2.200 3.600 2.427 2.363 2.518 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL H 1 21 VAL QG 3.660 2.200 3.660 2.244 2.127 2.326 0.073 20 0 "[ . 1 . 2]" 1
169 1 21 VAL H 1 91 ILE HA 4.130 2.200 4.130 2.713 2.405 2.991 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL H 1 91 ILE HB 5.780 2.200 5.780 5.551 5.238 5.845 0.065 1 0 "[ . 1 . 2]" 1
171 1 21 VAL H 1 91 ILE MG 4.780 2.200 4.780 4.454 4.099 4.758 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL H 1 92 VAL H 4.580 2.200 4.580 3.838 3.451 4.065 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL HA 1 21 VAL QG 3.990 2.200 3.990 2.104 2.089 2.133 0.111 9 0 "[ . 1 . 2]" 1
174 1 21 VAL HA 1 22 SER H 3.650 2.200 3.650 2.188 2.146 2.282 0.054 17 0 "[ . 1 . 2]" 1
175 1 21 VAL HA 1 23 MET H 4.450 2.200 4.450 4.509 4.221 4.586 0.136 16 0 "[ . 1 . 2]" 1
176 1 21 VAL HA 1 33 THR H 5.930 2.200 5.930 5.474 5.197 5.705 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL HA 1 34 CYS H 5.920 2.200 5.920 5.121 4.937 5.413 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL HA 1 34 CYS HA 3.980 2.200 3.980 2.365 2.151 2.634 0.049 10 0 "[ . 1 . 2]" 1
179 1 21 VAL HA 1 35 LEU H 4.770 2.200 4.770 3.389 2.895 3.795 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL HB 1 22 SER H 5.130 2.200 5.130 4.184 4.125 4.231 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL HB 1 23 MET H 5.830 2.200 5.830 5.585 5.213 5.826 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL HB 1 53 VAL HA 6.000 2.200 6.000 5.137 4.783 5.409 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL HB 1 90 GLY H 5.310 2.200 5.310 4.740 4.546 4.955 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL HB 1 90 GLY HA2 5.040 2.200 5.040 4.122 3.886 4.487 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL HB 1 90 GLY HA3 4.510 2.200 4.510 2.574 2.301 3.005 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL HB 1 91 ILE H 6.000 2.200 6.000 4.659 4.360 4.955 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL HB 1 92 VAL H 5.220 2.200 5.220 5.104 4.821 5.316 0.096 9 0 "[ . 1 . 2]" 1
188 1 21 VAL QG 1 22 SER H 3.900 2.200 3.900 2.562 2.449 2.659 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL QG 1 23 MET H 3.640 2.200 3.640 3.162 2.794 3.361 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL QG 1 24 VAL QG 3.850 2.200 3.850 1.966 1.824 2.043 0.376 10 0 "[ . 1 . 2]" 1
191 1 21 VAL QG 1 34 CYS HA 5.040 2.200 5.040 3.400 3.175 3.576 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL QG 1 86 TYR QD 4.440 2.200 4.440 3.766 3.291 4.221 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL QG 1 89 GLY H 6.000 2.200 6.000 5.488 4.730 5.795 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL QG 1 90 GLY H 5.850 2.200 5.850 4.780 4.657 4.992 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL QG 1 50 PHE QD 3.930 2.200 3.930 2.682 2.275 3.116 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL QG 1 51 SER H 4.890 2.200 4.890 4.372 4.230 4.657 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL QG 1 90 GLY HA2 4.650 2.200 4.650 3.776 3.546 3.976 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL QG 1 90 GLY HA3 5.290 2.200 5.290 2.876 2.721 3.077 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL QG 1 91 ILE H 4.620 2.200 4.620 3.552 3.334 3.900 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL QG 1 91 ILE HA 4.450 2.200 4.450 2.685 2.446 2.919 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL QG 1 92 VAL H 4.210 2.200 4.210 2.622 2.281 2.833 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL QG 1 92 VAL HB 4.330 2.200 4.330 2.354 2.122 2.592 0.078 12 0 "[ . 1 . 2]" 1
203 1 21 VAL QG 1 92 VAL MG2 4.750 2.200 4.750 3.452 3.287 3.629 . 0 0 "[ . 1 . 2]" 1
204 1 22 SER H 1 22 SER HB2 4.500 2.200 4.500 2.969 2.228 3.602 . 0 0 "[ . 1 . 2]" 1
205 1 22 SER H 1 22 SER HB3 4.290 2.200 4.290 3.155 2.188 3.594 0.012 14 0 "[ . 1 . 2]" 1
206 1 22 SER H 1 23 MET H 3.520 2.200 3.520 2.594 2.324 2.731 . 0 0 "[ . 1 . 2]" 1
207 1 22 SER H 1 23 MET HB3 6.000 2.200 6.000 5.531 4.962 6.203 0.203 7 0 "[ . 1 . 2]" 1
208 1 22 SER H 1 23 MET QG 5.410 2.200 5.410 5.086 4.360 5.547 0.137 10 0 "[ . 1 . 2]" 1
209 1 22 SER H 1 32 VAL MG2 5.050 2.200 5.050 3.983 3.700 4.227 . 0 0 "[ . 1 . 2]" 1
210 1 22 SER H 1 33 THR H 4.990 2.200 4.990 4.200 3.898 4.419 . 0 0 "[ . 1 . 2]" 1
211 1 22 SER H 1 33 THR MG 4.990 2.200 4.990 4.470 4.111 5.134 0.144 2 0 "[ . 1 . 2]" 1
212 1 22 SER H 1 34 CYS HA 4.040 2.200 4.040 2.177 2.031 2.348 0.169 18 0 "[ . 1 . 2]" 1
213 1 22 SER H 1 34 CYS HB3 5.280 2.200 5.280 4.469 4.241 4.693 . 0 0 "[ . 1 . 2]" 1
214 1 22 SER H 1 35 LEU H 4.380 2.200 4.380 3.386 2.855 3.884 . 0 0 "[ . 1 . 2]" 1
215 1 22 SER HB2 1 23 MET H 4.700 2.200 4.700 2.783 2.142 3.688 0.058 15 0 "[ . 1 . 2]" 1
216 1 22 SER HB2 1 35 LEU H 4.570 2.200 4.570 4.563 3.468 5.035 0.465 4 0 "[ . 1 . 2]" 1
217 1 22 SER HB2 1 35 LEU HA 4.200 2.200 4.200 3.893 3.497 4.262 0.062 15 0 "[ . 1 . 2]" 1
218 1 22 SER HB2 1 36 ASP H 5.430 2.200 5.430 5.308 4.577 5.630 0.200 1 0 "[ . 1 . 2]" 1
219 1 22 SER HB3 1 23 MET H 4.030 2.200 4.030 3.264 2.169 3.907 0.031 1 0 "[ . 1 . 2]" 1
220 1 22 SER HB3 1 23 MET HB3 5.130 2.200 5.130 4.734 3.576 5.279 0.149 19 0 "[ . 1 . 2]" 1
221 1 22 SER HB3 1 34 CYS H 5.030 2.200 5.030 4.994 3.355 5.313 0.283 6 0 "[ . 1 . 2]" 1
222 1 22 SER HB3 1 35 LEU H 5.200 2.200 5.200 4.284 3.211 5.441 0.241 5 0 "[ . 1 . 2]" 1
223 1 23 MET H 1 23 MET HB3 4.020 2.200 4.020 3.183 2.788 3.835 . 0 0 "[ . 1 . 2]" 1
224 1 23 MET H 1 23 MET QG 4.370 2.200 4.370 2.818 2.294 3.444 . 0 0 "[ . 1 . 2]" 1
225 1 23 MET H 1 24 VAL H 4.860 2.200 4.860 4.372 4.324 4.417 . 0 0 "[ . 1 . 2]" 1
226 1 23 MET H 1 24 VAL QG 4.640 2.200 4.640 4.052 3.861 4.270 . 0 0 "[ . 1 . 2]" 1
227 1 23 MET H 1 32 VAL HA 5.440 2.200 5.440 4.717 4.504 5.035 . 0 0 "[ . 1 . 2]" 1
228 1 23 MET H 1 32 VAL MG2 4.430 2.200 4.430 4.135 3.896 4.374 . 0 0 "[ . 1 . 2]" 1
229 1 23 MET H 1 33 THR H 4.300 2.200 4.300 2.725 2.445 2.994 . 0 0 "[ . 1 . 2]" 1
230 1 23 MET H 1 33 THR MG 5.200 2.200 5.200 3.902 3.560 4.261 . 0 0 "[ . 1 . 2]" 1
231 1 23 MET H 1 34 CYS HA 5.010 2.200 5.010 4.314 3.929 4.616 . 0 0 "[ . 1 . 2]" 1
232 1 23 MET HA 1 23 MET ME 5.030 2.200 5.030 4.041 3.624 4.493 . 0 0 "[ . 1 . 2]" 1
233 1 23 MET HA 1 24 VAL H 3.460 2.200 3.460 2.240 2.185 2.352 0.015 10 0 "[ . 1 . 2]" 1
234 1 23 MET HA 1 86 TYR QD 4.600 2.200 4.600 4.059 3.785 4.494 . 0 0 "[ . 1 . 2]" 1
235 1 23 MET HB2 1 24 VAL H 3.760 2.200 3.760 2.906 2.425 3.414 . 0 0 "[ . 1 . 2]" 1
236 1 23 MET HB2 1 24 VAL QG 5.820 2.200 5.820 4.680 4.392 5.021 . 0 0 "[ . 1 . 2]" 1
237 1 23 MET HB2 1 33 THR H 6.000 2.200 6.000 4.895 3.942 5.383 . 0 0 "[ . 1 . 2]" 1
238 1 23 MET HB2 1 86 TYR QD 6.000 2.200 6.000 4.666 3.706 5.966 . 0 0 "[ . 1 . 2]" 1
239 1 23 MET HB3 1 33 THR H 6.000 2.200 6.000 4.762 3.823 5.310 . 0 0 "[ . 1 . 2]" 1
240 1 23 MET HG2 1 33 THR H 5.280 2.200 5.280 3.717 2.389 5.062 . 0 0 "[ . 1 . 2]" 1
241 1 23 MET HG3 1 33 THR H 5.280 2.200 5.280 3.460 2.534 4.334 . 0 0 "[ . 1 . 2]" 1
242 1 23 MET ME 1 25 THR H 5.210 2.200 5.210 4.566 3.412 5.257 0.047 9 0 "[ . 1 . 2]" 1
243 1 23 MET ME 1 25 THR HA 4.740 2.200 4.740 3.657 2.548 4.833 0.093 7 0 "[ . 1 . 2]" 1
244 1 23 MET ME 1 25 THR MG 4.040 2.200 4.040 2.819 2.100 3.818 0.100 15 0 "[ . 1 . 2]" 1
245 1 23 MET ME 1 33 THR H 6.000 2.200 6.000 4.977 3.476 5.896 . 0 0 "[ . 1 . 2]" 1
246 1 23 MET ME 1 23 MET QG 3.830 2.200 3.830 2.265 2.194 2.338 0.006 12 0 "[ . 1 . 2]" 1
247 1 23 MET QG 1 33 THR H 4.590 2.200 4.590 2.903 2.366 3.870 . 0 0 "[ . 1 . 2]" 1
248 1 23 MET QG 1 33 THR HB 4.960 2.200 4.960 2.832 2.168 4.494 0.032 7 0 "[ . 1 . 2]" 1
249 1 24 VAL H 1 24 VAL HB 4.010 2.200 4.010 2.625 2.509 2.807 . 0 0 "[ . 1 . 2]" 1
250 1 24 VAL H 1 24 VAL QG . 2.200 4.090 2.727 2.222 2.863 . 0 0 "[ . 1 . 2]" 1
251 1 24 VAL H 1 25 THR H 5.060 2.200 5.060 4.330 4.258 4.411 . 0 0 "[ . 1 . 2]" 1
252 1 24 VAL H 1 25 THR HA 5.680 2.200 5.680 4.703 4.578 4.880 . 0 0 "[ . 1 . 2]" 1
253 1 24 VAL H 1 25 THR MG 5.410 2.200 5.410 4.959 4.429 5.595 0.185 5 0 "[ . 1 . 2]" 1
254 1 24 VAL H 1 32 VAL MG2 5.050 2.200 5.050 5.354 5.269 5.428 0.378 18 0 "[ . 1 . 2]" 1
255 1 24 VAL H 1 86 TYR HB2 4.680 2.200 4.680 3.908 3.335 4.863 0.183 9 0 "[ . 1 . 2]" 1
256 1 24 VAL H 1 86 TYR HB3 5.030 2.200 5.030 3.834 3.377 4.513 . 0 0 "[ . 1 . 2]" 1
257 1 24 VAL H 1 86 TYR QD 4.090 2.200 4.090 3.340 2.892 3.897 . 0 0 "[ . 1 . 2]" 1
258 1 24 VAL HA 1 24 VAL QG 3.980 2.200 3.980 2.128 2.079 2.198 0.121 13 0 "[ . 1 . 2]" 1
259 1 24 VAL HB 1 25 THR H 4.740 2.200 4.740 4.181 4.061 4.310 . 0 0 "[ . 1 . 2]" 1
260 1 24 VAL HB 1 86 TYR HB2 4.780 2.200 4.780 2.274 2.060 3.250 0.140 4 0 "[ . 1 . 2]" 1
261 1 24 VAL HB 1 86 TYR HB3 5.360 2.200 5.360 3.098 2.235 3.686 . 0 0 "[ . 1 . 2]" 1
262 1 24 VAL HB 1 86 TYR QD 5.040 2.200 5.040 2.821 2.200 3.605 . 0 0 "[ . 1 . 2]" 1
263 1 24 VAL QG 1 25 THR H 3.690 2.200 3.690 2.571 2.370 2.800 . 0 0 "[ . 1 . 2]" 1
264 1 24 VAL QG 1 26 LYS H 5.190 2.200 5.190 4.363 3.794 4.994 . 0 0 "[ . 1 . 2]" 1
265 1 24 VAL QG 1 27 ASP H 5.330 2.200 5.330 4.474 4.206 4.755 . 0 0 "[ . 1 . 2]" 1
266 1 24 VAL QG 1 30 GLY HA2 5.440 2.200 5.440 4.754 4.186 5.181 . 0 0 "[ . 1 . 2]" 1
267 1 24 VAL QG 1 30 GLY HA3 5.030 2.200 5.030 4.267 3.819 4.835 . 0 0 "[ . 1 . 2]" 1
268 1 24 VAL QG 1 31 VAL H 5.230 2.200 5.230 4.210 3.750 4.606 . 0 0 "[ . 1 . 2]" 1
269 1 24 VAL QG 1 32 VAL HB 3.990 2.200 3.990 1.977 1.842 2.223 0.358 19 0 "[ . 1 . 2]" 1
270 1 24 VAL QG 1 50 PHE QE 4.740 2.200 4.740 3.519 3.158 4.053 . 0 0 "[ . 1 . 2]" 1
271 1 24 VAL QG 1 56 MET ME 3.560 2.200 3.560 2.126 1.999 2.221 0.201 6 0 "[ . 1 . 2]" 1
272 1 24 VAL QG 1 80 THR MG 3.450 2.200 3.450 2.039 1.886 2.246 0.314 10 0 "[ . 1 . 2]" 1
273 1 24 VAL QG 1 86 TYR H 5.320 2.200 5.320 4.483 4.032 4.838 . 0 0 "[ . 1 . 2]" 1
274 1 24 VAL QG 1 86 TYR HB2 . 2.200 5.140 2.870 2.607 3.139 . 0 0 "[ . 1 . 2]" 1
275 1 24 VAL QG 1 86 TYR HB3 5.920 2.200 5.920 3.677 2.591 4.234 . 0 0 "[ . 1 . 2]" 1
276 1 24 VAL QG 1 32 VAL H 6.000 2.200 6.000 4.430 4.243 4.779 . 0 0 "[ . 1 . 2]" 1
277 1 24 VAL QG 1 32 VAL HA 4.530 2.200 4.530 3.352 3.152 3.551 . 0 0 "[ . 1 . 2]" 1
278 1 24 VAL QG 1 32 VAL MG2 3.530 2.200 3.530 2.696 2.558 2.894 . 0 0 "[ . 1 . 2]" 1
279 1 24 VAL QG 1 33 THR H 4.980 2.200 4.980 3.724 3.365 4.080 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL QG 1 50 PHE QD 4.660 2.200 4.660 4.317 4.058 4.468 . 0 0 "[ . 1 . 2]" 1
281 1 24 VAL QG 1 53 VAL QG 4.660 2.200 4.660 3.071 2.668 3.538 . 0 0 "[ . 1 . 2]" 1
282 1 24 VAL QG 1 59 LEU MD1 4.750 2.200 4.750 2.691 2.108 3.122 0.092 3 0 "[ . 1 . 2]" 1
283 1 24 VAL QG 1 86 TYR QD 4.280 2.200 4.280 2.581 2.241 2.883 . 0 0 "[ . 1 . 2]" 1
284 1 25 THR H 1 25 THR MG 3.610 2.200 3.610 2.781 2.294 3.739 0.129 18 0 "[ . 1 . 2]" 1
285 1 25 THR H 1 30 GLY HA2 5.630 2.200 5.630 4.997 4.502 5.299 . 0 0 "[ . 1 . 2]" 1
286 1 25 THR H 1 30 GLY HA3 5.530 2.200 5.530 5.306 4.708 5.662 0.132 9 0 "[ . 1 . 2]" 1
287 1 25 THR H 1 31 VAL H 4.460 2.200 4.460 3.424 3.007 4.155 . 0 0 "[ . 1 . 2]" 1
288 1 25 THR H 1 31 VAL MG1 4.570 2.200 4.570 3.602 3.357 3.722 . 0 0 "[ . 1 . 2]" 1
289 1 25 THR H 1 32 VAL HA 4.300 2.200 4.300 2.924 2.739 3.214 . 0 0 "[ . 1 . 2]" 1
290 1 25 THR H 1 32 VAL HB 4.410 2.200 4.410 3.773 3.540 4.130 . 0 0 "[ . 1 . 2]" 1
291 1 25 THR H 1 33 THR H 5.680 2.200 5.680 4.860 4.610 5.180 . 0 0 "[ . 1 . 2]" 1
292 1 25 THR HA 1 25 THR MG 3.710 2.200 3.710 2.275 2.159 2.495 0.041 18 0 "[ . 1 . 2]" 1
293 1 25 THR HA 1 26 LYS H 3.110 2.200 3.110 2.186 2.162 2.236 0.038 12 0 "[ . 1 . 2]" 1
294 1 25 THR HB 1 26 LYS H 4.110 2.200 4.110 3.444 3.023 4.049 . 0 0 "[ . 1 . 2]" 1
295 1 25 THR HB 1 27 ASP HB2 5.140 2.200 5.140 3.392 2.451 4.124 . 0 0 "[ . 1 . 2]" 1
296 1 25 THR HB 1 27 ASP HB3 5.290 2.200 5.290 3.782 3.170 4.592 . 0 0 "[ . 1 . 2]" 1
297 1 25 THR HB 1 31 VAL MG1 4.170 2.200 4.170 2.999 2.055 3.551 0.145 3 0 "[ . 1 . 2]" 1
298 1 25 THR MG 1 26 LYS H 5.010 2.200 5.010 3.696 2.844 4.290 . 0 0 "[ . 1 . 2]" 1
299 1 25 THR MG 1 31 VAL H 4.160 2.200 4.160 3.900 3.438 4.292 0.132 3 0 "[ . 1 . 2]" 1
300 1 25 THR MG 1 31 VAL HB 5.160 2.200 5.160 4.949 4.665 5.305 0.145 1 0 "[ . 1 . 2]" 1
301 1 25 THR MG 1 31 VAL MG1 4.190 2.200 4.190 2.318 2.078 2.672 0.122 14 0 "[ . 1 . 2]" 1
302 1 26 LYS H 1 26 LYS HB2 3.780 2.200 3.780 2.572 2.179 3.692 0.021 15 0 "[ . 1 . 2]" 1
303 1 26 LYS H 1 26 LYS HB3 3.880 2.200 3.880 2.636 2.475 3.026 . 0 0 "[ . 1 . 2]" 1
304 1 26 LYS H 1 26 LYS QG 5.300 2.200 5.300 3.898 2.405 4.044 . 0 0 "[ . 1 . 2]" 1
305 1 26 LYS H 1 27 ASP HB2 5.160 2.200 5.160 4.440 3.934 4.836 . 0 0 "[ . 1 . 2]" 1
306 1 26 LYS H 1 56 MET ME 5.140 2.200 5.140 4.220 3.041 5.177 0.037 12 0 "[ . 1 . 2]" 1
307 1 26 LYS HA 1 27 ASP H 3.450 2.200 3.450 2.318 2.149 2.658 0.051 9 0 "[ . 1 . 2]" 1
308 1 26 LYS HA 1 56 MET ME 4.070 2.200 4.070 2.996 2.283 3.559 . 0 0 "[ . 1 . 2]" 1
309 1 26 LYS HA 1 80 THR H 5.820 2.200 5.820 4.528 4.113 5.021 . 0 0 "[ . 1 . 2]" 1
310 1 26 LYS HB2 1 27 ASP H 5.340 2.200 5.340 4.579 4.195 4.709 . 0 0 "[ . 1 . 2]" 1
311 1 26 LYS HB2 1 56 MET ME 4.080 2.200 4.080 3.415 2.461 4.251 0.171 12 0 "[ . 1 . 2]" 1
312 1 26 LYS HB2 1 86 TYR H 4.650 2.200 4.650 3.836 3.210 4.765 0.115 3 0 "[ . 1 . 2]" 1
313 1 26 LYS HB3 1 27 ASP H 5.000 2.200 5.000 4.416 4.353 4.547 . 0 0 "[ . 1 . 2]" 1
314 1 26 LYS HD2 1 85 ASP HA 6.000 2.200 6.000 3.686 2.180 5.342 0.020 17 0 "[ . 1 . 2]" 1
315 1 26 LYS HD3 1 85 ASP HA 6.000 2.200 6.000 3.488 2.137 4.774 0.063 2 0 "[ . 1 . 2]" 1
316 1 26 LYS QD 1 81 SER H 5.070 2.200 5.070 4.789 3.461 5.474 0.404 6 0 "[ . 1 . 2]" 1
317 1 26 LYS QD 1 81 SER QB 5.000 2.200 5.000 4.093 2.916 5.058 0.058 20 0 "[ . 1 . 2]" 1
318 1 26 LYS QD 1 85 ASP HA 5.200 2.200 5.200 2.960 2.098 4.457 0.102 2 0 "[ . 1 . 2]" 1
319 1 26 LYS QE 1 85 ASP H 5.520 2.200 5.520 4.399 3.441 5.641 0.121 7 0 "[ . 1 . 2]" 1
320 1 26 LYS QG 1 56 MET ME 4.510 2.200 4.510 3.426 2.168 4.533 0.032 7 0 "[ . 1 . 2]" 1
321 1 26 LYS QG 1 81 SER QB 5.150 2.200 5.150 3.867 2.728 5.278 0.128 15 0 "[ . 1 . 2]" 1
322 1 26 LYS QG 1 86 TYR H 5.840 2.200 5.840 4.560 3.113 5.747 . 0 0 "[ . 1 . 2]" 1
323 1 27 ASP H 1 27 ASP HB2 4.310 2.200 4.310 3.146 2.908 3.357 . 0 0 "[ . 1 . 2]" 1
324 1 27 ASP H 1 27 ASP HB3 4.410 2.200 4.410 3.072 2.681 3.331 . 0 0 "[ . 1 . 2]" 1
325 1 27 ASP H 1 28 ASN H 5.110 2.200 5.110 4.375 4.346 4.412 . 0 0 "[ . 1 . 2]" 1
326 1 27 ASP H 1 30 GLY HA2 4.410 2.200 4.410 3.080 2.701 3.313 . 0 0 "[ . 1 . 2]" 1
327 1 27 ASP H 1 30 GLY HA3 4.060 2.200 4.060 3.898 3.098 4.152 0.092 15 0 "[ . 1 . 2]" 1
328 1 27 ASP H 1 56 MET ME 5.500 2.200 5.500 4.550 3.951 4.857 . 0 0 "[ . 1 . 2]" 1
329 1 27 ASP H 1 80 THR H 4.720 2.200 4.720 3.440 2.975 4.012 . 0 0 "[ . 1 . 2]" 1
330 1 27 ASP H 1 80 THR MG 4.290 2.200 4.290 3.098 2.628 3.486 . 0 0 "[ . 1 . 2]" 1
331 1 27 ASP HA 1 28 ASN H 3.430 2.200 3.430 2.523 2.452 2.660 . 0 0 "[ . 1 . 2]" 1
332 1 27 ASP HA 1 81 SER H 5.610 2.200 5.610 4.413 3.858 4.760 . 0 0 "[ . 1 . 2]" 1
333 1 27 ASP HA 1 81 SER HB2 6.000 2.200 6.000 5.247 3.755 6.104 0.104 2 0 "[ . 1 . 2]" 1
334 1 27 ASP HA 1 81 SER HB3 6.000 2.200 6.000 5.167 4.343 6.116 0.116 8 0 "[ . 1 . 2]" 1
335 1 27 ASP HA 1 81 SER QB 5.310 2.200 5.310 4.585 3.693 5.274 . 0 0 "[ . 1 . 2]" 1
336 1 27 ASP HB2 1 28 ASN H 4.320 2.200 4.320 3.708 3.594 3.863 . 0 0 "[ . 1 . 2]" 1
337 1 27 ASP HB2 1 31 VAL H 5.190 2.200 5.190 4.880 4.437 5.241 0.051 15 0 "[ . 1 . 2]" 1
338 1 27 ASP HB3 1 28 ASN H 3.670 2.200 3.670 2.954 2.681 3.313 . 0 0 "[ . 1 . 2]" 1
339 1 27 ASP HB3 1 28 ASN HA 4.730 2.200 4.730 4.184 3.968 4.429 . 0 0 "[ . 1 . 2]" 1
340 1 27 ASP HB3 1 30 GLY H 6.000 2.200 6.000 5.315 4.809 5.630 . 0 0 "[ . 1 . 2]" 1
341 1 27 ASP HB3 1 30 GLY HA2 5.340 2.200 5.340 3.088 2.281 3.530 . 0 0 "[ . 1 . 2]" 1
342 1 27 ASP HB3 1 31 VAL H 4.990 2.200 4.990 3.807 3.094 4.216 . 0 0 "[ . 1 . 2]" 1
343 1 28 ASN H 1 28 ASN QB 4.160 2.200 4.160 2.892 2.577 3.282 . 0 0 "[ . 1 . 2]" 1
344 1 28 ASN H 1 30 GLY HA2 5.150 2.200 5.150 4.523 4.365 4.704 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASN HA 1 29 PRO HB2 5.380 2.200 5.380 4.353 4.320 4.382 . 0 0 "[ . 1 . 2]" 1
346 1 28 ASN HA 1 29 PRO HB3 5.670 2.200 5.670 4.333 4.233 4.387 . 0 0 "[ . 1 . 2]" 1
347 1 28 ASN HA 1 30 GLY H 4.250 2.200 4.250 2.678 2.509 2.885 . 0 0 "[ . 1 . 2]" 1
348 1 28 ASN HA 1 79 ASP HB2 6.000 2.200 6.000 4.266 3.839 5.739 . 0 0 "[ . 1 . 2]" 1
349 1 28 ASN HA 1 79 ASP HB3 6.000 2.200 6.000 5.181 4.549 5.431 . 0 0 "[ . 1 . 2]" 1
350 1 28 ASN HA 1 79 ASP QB 5.270 2.200 5.270 3.994 3.733 4.631 . 0 0 "[ . 1 . 2]" 1
351 1 28 ASN HA 1 80 THR H 4.430 2.200 4.430 3.522 3.213 3.739 . 0 0 "[ . 1 . 2]" 1
352 1 28 ASN QB 1 30 GLY H 5.840 2.200 5.840 4.123 3.867 4.338 . 0 0 "[ . 1 . 2]" 1
353 1 28 ASN QB 1 79 ASP QB 4.790 2.200 4.790 2.474 2.128 2.971 0.072 17 0 "[ . 1 . 2]" 1
354 1 29 PRO HA 1 30 GLY HA2 5.180 2.200 5.180 4.382 4.343 4.420 . 0 0 "[ . 1 . 2]" 1
355 1 29 PRO HB2 1 30 GLY H 4.020 2.200 4.020 3.262 3.105 3.567 . 0 0 "[ . 1 . 2]" 1
356 1 29 PRO HB2 1 76 SER HB3 4.980 2.200 4.980 3.897 2.580 4.241 . 0 0 "[ . 1 . 2]" 1
357 1 29 PRO HB2 1 77 ILE H 4.520 2.200 4.520 3.813 3.519 4.104 . 0 0 "[ . 1 . 2]" 1
358 1 29 PRO HG2 1 30 GLY H 5.110 2.200 5.110 4.873 4.693 5.358 0.248 14 0 "[ . 1 . 2]" 1
359 1 29 PRO HG2 1 76 SER HB2 4.870 2.200 4.870 4.028 3.150 4.947 0.077 5 0 "[ . 1 . 2]" 1
360 1 29 PRO HG2 1 76 SER HB3 5.320 2.200 5.320 4.639 3.995 5.190 . 0 0 "[ . 1 . 2]" 1
361 1 29 PRO HG2 1 77 ILE H 6.000 2.200 6.000 5.742 5.244 6.055 0.055 5 0 "[ . 1 . 2]" 1
362 1 29 PRO HG3 1 76 SER HB3 6.000 2.200 6.000 5.655 5.097 6.198 0.198 14 0 "[ . 1 . 2]" 1
363 1 30 GLY H 1 31 VAL H 5.110 2.200 5.110 4.573 4.250 4.620 . 0 0 "[ . 1 . 2]" 1
364 1 30 GLY H 1 31 VAL HA 5.650 2.200 5.650 5.311 5.163 5.456 . 0 0 "[ . 1 . 2]" 1
365 1 30 GLY H 1 31 VAL MG1 6.000 2.200 6.000 5.413 5.209 5.572 . 0 0 "[ . 1 . 2]" 1
366 1 30 GLY H 1 77 ILE HB 6.000 2.200 6.000 5.241 4.848 5.693 . 0 0 "[ . 1 . 2]" 1
367 1 30 GLY H 1 77 ILE HG13 4.620 2.200 4.620 3.602 2.724 4.714 0.094 9 0 "[ . 1 . 2]" 1
368 1 30 GLY H 1 77 ILE MD 4.770 2.200 4.770 4.162 2.342 5.070 0.300 3 0 "[ . 1 . 2]" 1
369 1 30 GLY H 1 80 THR H 4.410 2.200 4.410 3.431 2.793 3.903 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLY H 1 80 THR MG 4.180 2.200 4.180 3.756 3.185 4.063 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLY HA2 1 31 VAL H 3.900 2.200 3.900 2.231 2.185 2.336 0.015 9 0 "[ . 1 . 2]" 1
372 1 30 GLY HA2 1 31 VAL MG1 4.230 2.200 4.230 3.508 3.418 3.835 . 0 0 "[ . 1 . 2]" 1
373 1 30 GLY HA2 1 80 THR H 4.750 2.200 4.750 3.412 2.649 4.391 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLY HA2 1 80 THR MG 4.820 2.200 4.820 2.917 2.623 3.422 . 0 0 "[ . 1 . 2]" 1
375 1 30 GLY HA3 1 77 ILE H 5.170 2.200 5.170 3.494 3.240 3.798 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLY HA3 1 77 ILE MD 5.140 2.200 5.140 3.475 2.314 4.201 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLY HA3 1 80 THR MG 4.680 2.200 4.680 2.086 1.974 2.158 0.226 14 0 "[ . 1 . 2]" 1
378 1 31 VAL H 1 31 VAL HB 3.880 2.200 3.880 3.327 2.930 3.415 . 0 0 "[ . 1 . 2]" 1
379 1 31 VAL H 1 31 VAL MG1 4.000 2.200 4.000 2.121 2.036 2.159 0.164 10 0 "[ . 1 . 2]" 1
380 1 31 VAL H 1 31 VAL MG2 4.490 2.200 4.490 3.818 3.783 3.857 . 0 0 "[ . 1 . 2]" 1
381 1 31 VAL HA 1 31 VAL MG1 4.430 2.200 4.430 3.217 3.201 3.245 . 0 0 "[ . 1 . 2]" 1
382 1 31 VAL HA 1 31 VAL MG2 4.150 2.200 4.150 2.467 2.373 2.526 . 0 0 "[ . 1 . 2]" 1
383 1 31 VAL HA 1 32 VAL H 3.640 2.200 3.640 2.149 2.129 2.176 0.071 10 0 "[ . 1 . 2]" 1
384 1 31 VAL HA 1 75 PHE H 5.410 2.200 5.410 4.466 4.294 4.562 . 0 0 "[ . 1 . 2]" 1
385 1 31 VAL HA 1 76 SER H 4.960 2.200 4.960 4.535 4.405 4.635 . 0 0 "[ . 1 . 2]" 1
386 1 31 VAL HA 1 76 SER HA 4.130 2.200 4.130 2.112 2.060 2.195 0.140 10 0 "[ . 1 . 2]" 1
387 1 31 VAL HA 1 77 ILE H 4.410 2.200 4.410 3.555 3.407 3.736 . 0 0 "[ . 1 . 2]" 1
388 1 31 VAL HB 1 32 VAL H 4.840 2.200 4.840 4.024 3.907 4.152 . 0 0 "[ . 1 . 2]" 1
389 1 31 VAL MG1 1 32 VAL H 4.580 2.200 4.580 4.094 4.023 4.153 . 0 0 "[ . 1 . 2]" 1
390 1 31 VAL MG1 1 76 SER HA 5.320 2.200 5.320 4.789 4.707 4.944 . 0 0 "[ . 1 . 2]" 1
391 1 31 VAL MG1 1 76 SER HB2 5.130 2.200 5.130 5.013 4.725 5.343 0.213 5 0 "[ . 1 . 2]" 1
392 1 31 VAL MG1 1 76 SER HB3 5.740 2.200 5.740 4.189 3.788 5.163 . 0 0 "[ . 1 . 2]" 1
393 1 31 VAL MG2 1 32 VAL H 3.580 2.200 3.580 2.424 2.275 2.539 . 0 0 "[ . 1 . 2]" 1
394 1 31 VAL MG2 1 74 THR HA 4.850 2.200 4.850 3.983 3.579 4.527 . 0 0 "[ . 1 . 2]" 1
395 1 31 VAL MG2 1 74 THR HB 4.630 2.200 4.630 3.166 2.565 4.235 . 0 0 "[ . 1 . 2]" 1
396 1 31 VAL MG2 1 74 THR MG 3.710 2.200 3.710 3.002 2.163 3.742 0.037 5 0 "[ . 1 . 2]" 1
397 1 31 VAL MG2 1 75 PHE H 3.910 2.200 3.910 3.259 2.869 3.526 . 0 0 "[ . 1 . 2]" 1
398 1 31 VAL MG2 1 76 SER H 4.920 2.200 4.920 4.727 4.522 4.966 0.046 18 0 "[ . 1 . 2]" 1
399 1 32 VAL H 1 32 VAL HB 4.560 2.200 4.560 3.875 3.819 3.947 . 0 0 "[ . 1 . 2]" 1
400 1 32 VAL H 1 32 VAL MG1 3.860 2.200 3.860 2.350 2.238 2.473 . 0 0 "[ . 1 . 2]" 1
401 1 32 VAL H 1 32 VAL MG2 4.340 2.200 4.340 2.859 2.795 2.969 . 0 0 "[ . 1 . 2]" 1
402 1 32 VAL H 1 74 THR HA 5.570 2.200 5.570 4.451 4.307 4.676 . 0 0 "[ . 1 . 2]" 1
403 1 32 VAL H 1 74 THR MG 5.460 2.200 5.460 4.488 3.660 4.941 . 0 0 "[ . 1 . 2]" 1
404 1 32 VAL H 1 75 PHE H 4.260 2.200 4.260 2.858 2.737 2.938 . 0 0 "[ . 1 . 2]" 1
405 1 32 VAL H 1 75 PHE HE1 5.930 2.200 5.930 4.066 3.869 4.318 . 0 0 "[ . 1 . 2]" 1
406 1 32 VAL H 1 76 SER HA 4.290 2.200 4.290 3.233 3.139 3.350 . 0 0 "[ . 1 . 2]" 1
407 1 32 VAL H 1 76 SER HB2 5.290 2.200 5.290 5.448 5.327 5.572 0.282 17 0 "[ . 1 . 2]" 1
408 1 32 VAL H 1 76 SER HB3 5.450 2.200 5.450 4.373 4.096 5.558 0.108 5 0 "[ . 1 . 2]" 1
409 1 32 VAL H 1 77 ILE H 5.410 2.200 5.410 4.963 4.725 5.263 . 0 0 "[ . 1 . 2]" 1
410 1 32 VAL H 1 77 ILE MG 5.790 2.200 5.790 4.800 4.470 5.081 . 0 0 "[ . 1 . 2]" 1
411 1 32 VAL HA 1 32 VAL MG2 4.050 2.200 4.050 3.112 3.093 3.132 . 0 0 "[ . 1 . 2]" 1
412 1 32 VAL HA 1 33 THR H 3.560 2.200 3.560 2.267 2.208 2.322 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL HB 1 33 THR H 5.240 2.200 5.240 2.821 2.740 2.908 . 0 0 "[ . 1 . 2]" 1
414 1 32 VAL HB 1 75 PHE HE1 6.000 2.200 6.000 4.237 4.131 4.399 . 0 0 "[ . 1 . 2]" 1
415 1 32 VAL MG1 1 33 THR H 4.560 2.200 4.560 4.120 4.080 4.183 . 0 0 "[ . 1 . 2]" 1
416 1 32 VAL MG1 1 48 VAL MG2 5.420 2.200 5.420 5.509 5.329 5.641 0.221 8 0 "[ . 1 . 2]" 1
417 1 32 VAL MG1 1 75 PHE HE1 3.490 2.200 3.490 2.130 2.069 2.204 0.131 8 0 "[ . 1 . 2]" 1
418 1 32 VAL MG1 1 76 SER HA 4.630 2.200 4.630 3.493 3.230 3.676 . 0 0 "[ . 1 . 2]" 1
419 1 32 VAL MG1 1 77 ILE H 4.800 2.200 4.800 4.107 3.727 4.460 . 0 0 "[ . 1 . 2]" 1
420 1 32 VAL MG1 1 77 ILE MG 3.530 2.200 3.530 3.353 2.943 3.563 0.033 14 0 "[ . 1 . 2]" 1
421 1 32 VAL MG2 1 33 THR H 3.870 2.200 3.870 2.754 2.644 2.912 . 0 0 "[ . 1 . 2]" 1
422 1 32 VAL MG2 1 33 THR HA 5.280 2.200 5.280 3.509 3.419 3.593 . 0 0 "[ . 1 . 2]" 1
423 1 32 VAL MG2 1 34 CYS H 5.180 2.200 5.180 4.202 3.947 4.425 . 0 0 "[ . 1 . 2]" 1
424 1 32 VAL MG2 1 74 THR MG 5.590 2.200 5.590 4.669 4.343 5.082 . 0 0 "[ . 1 . 2]" 1
425 1 32 VAL MG2 1 75 PHE H 4.980 2.200 4.980 3.043 2.802 3.269 . 0 0 "[ . 1 . 2]" 1
426 1 32 VAL MG2 1 75 PHE HE1 4.580 2.200 4.580 2.219 2.124 2.373 0.076 6 0 "[ . 1 . 2]" 1
427 1 32 VAL MG2 1 77 ILE MG 5.860 2.200 5.860 4.143 3.967 4.487 . 0 0 "[ . 1 . 2]" 1
428 1 32 VAL MG2 1 92 VAL MG1 4.900 2.200 4.900 3.671 3.293 3.885 . 0 0 "[ . 1 . 2]" 1
429 1 32 VAL MG2 1 92 VAL MG2 5.400 2.200 5.400 4.167 3.818 4.463 . 0 0 "[ . 1 . 2]" 1
430 1 33 THR H 1 33 THR HB 4.040 2.200 4.040 2.869 2.574 3.682 . 0 0 "[ . 1 . 2]" 1
431 1 33 THR H 1 33 THR MG 4.380 2.200 4.380 3.704 2.695 3.884 . 0 0 "[ . 1 . 2]" 1
432 1 33 THR H 1 34 CYS H 5.270 2.200 5.270 4.421 4.375 4.468 . 0 0 "[ . 1 . 2]" 1
433 1 33 THR HA 1 33 THR MG 3.890 2.200 3.890 2.260 2.139 2.385 0.061 8 0 "[ . 1 . 2]" 1
434 1 33 THR HA 1 34 CYS H 3.520 2.200 3.520 2.224 2.167 2.338 0.033 1 0 "[ . 1 . 2]" 1
435 1 33 THR HA 1 74 THR HA 4.480 2.200 4.480 2.320 2.159 2.524 0.041 13 0 "[ . 1 . 2]" 1
436 1 33 THR HA 1 74 THR MG 4.090 2.200 4.090 2.627 2.178 3.030 0.022 18 0 "[ . 1 . 2]" 1
437 1 33 THR HA 1 75 PHE H 4.520 2.200 4.520 3.623 3.351 3.828 . 0 0 "[ . 1 . 2]" 1
438 1 33 THR HB 1 34 CYS H 5.250 2.200 5.250 3.602 2.524 4.098 . 0 0 "[ . 1 . 2]" 1
439 1 33 THR MG 1 34 CYS H 3.680 2.200 3.680 2.495 2.111 3.750 0.089 9 0 "[ . 1 . 2]" 1
440 1 33 THR MG 1 73 TYR HB2 4.640 2.200 4.640 3.257 2.577 4.100 . 0 0 "[ . 1 . 2]" 1
441 1 33 THR MG 1 73 TYR HB3 4.910 2.200 4.910 3.231 2.456 4.904 . 0 0 "[ . 1 . 2]" 1
442 1 33 THR MG 1 73 TYR HD2 5.340 2.200 5.340 5.021 4.233 5.455 0.115 6 0 "[ . 1 . 2]" 1
443 1 34 CYS H 1 34 CYS HB2 3.790 2.200 3.790 2.754 2.594 2.917 . 0 0 "[ . 1 . 2]" 1
444 1 34 CYS H 1 34 CYS HB3 4.640 2.200 4.640 3.733 3.675 3.786 . 0 0 "[ . 1 . 2]" 1
445 1 34 CYS H 1 35 LEU H 5.210 2.200 5.210 4.480 4.394 4.528 . 0 0 "[ . 1 . 2]" 1
446 1 34 CYS H 1 73 TYR HB2 4.990 2.200 4.990 3.749 2.911 4.204 . 0 0 "[ . 1 . 2]" 1
447 1 34 CYS H 1 73 TYR HB3 4.660 2.200 4.660 2.648 2.228 3.142 . 0 0 "[ . 1 . 2]" 1
448 1 34 CYS H 1 74 THR HA 4.610 2.200 4.610 3.559 3.272 3.865 . 0 0 "[ . 1 . 2]" 1
449 1 34 CYS H 1 74 THR MG 4.840 2.200 4.840 3.932 3.408 4.635 . 0 0 "[ . 1 . 2]" 1
450 1 34 CYS H 1 75 PHE H 5.540 2.200 5.540 4.978 4.770 5.394 . 0 0 "[ . 1 . 2]" 1
451 1 34 CYS HA 1 35 LEU H 3.520 2.200 3.520 2.291 2.211 2.356 . 0 0 "[ . 1 . 2]" 1
452 1 34 CYS HA 1 35 LEU HB2 6.000 2.200 6.000 4.504 4.393 4.610 . 0 0 "[ . 1 . 2]" 1
453 1 34 CYS HA 1 35 LEU HB3 6.000 2.200 6.000 4.871 4.789 4.985 . 0 0 "[ . 1 . 2]" 1
454 1 34 CYS HB2 1 35 LEU H 4.060 2.200 4.060 3.530 3.303 3.760 . 0 0 "[ . 1 . 2]" 1
455 1 34 CYS HB2 1 35 LEU HB3 6.000 2.200 6.000 5.179 4.733 5.476 . 0 0 "[ . 1 . 2]" 1
456 1 34 CYS HB2 1 38 ALA H 6.000 2.200 6.000 5.504 4.785 5.998 . 0 0 "[ . 1 . 2]" 1
457 1 34 CYS HB2 1 38 ALA MB 5.310 2.200 5.310 4.209 2.426 5.313 0.003 3 0 "[ . 1 . 2]" 1
458 1 34 CYS HB2 1 73 TYR HA 4.960 2.200 4.960 2.997 2.224 3.261 . 0 0 "[ . 1 . 2]" 1
459 1 34 CYS HB3 1 35 LEU H 3.910 2.200 3.910 2.739 2.514 3.022 . 0 0 "[ . 1 . 2]" 1
460 1 34 CYS HB3 1 35 LEU HB3 5.100 2.200 5.100 4.547 4.275 4.908 . 0 0 "[ . 1 . 2]" 1
461 1 34 CYS HB3 1 38 ALA H 6.000 2.200 6.000 5.515 4.949 5.882 . 0 0 "[ . 1 . 2]" 1
462 1 34 CYS HB3 1 38 ALA MB 4.840 2.200 4.840 3.595 2.150 4.917 0.077 20 0 "[ . 1 . 2]" 1
463 1 35 LEU H 1 35 LEU HB2 3.660 2.200 3.660 2.409 2.254 2.538 . 0 0 "[ . 1 . 2]" 1
464 1 35 LEU H 1 35 LEU HB3 3.690 2.200 3.690 2.599 2.478 2.847 . 0 0 "[ . 1 . 2]" 1
465 1 35 LEU H 1 35 LEU MD1 4.970 2.200 4.970 3.920 3.551 4.061 . 0 0 "[ . 1 . 2]" 1
466 1 35 LEU H 1 35 LEU MD2 5.390 2.200 5.390 4.276 4.244 4.319 . 0 0 "[ . 1 . 2]" 1
467 1 35 LEU H 1 38 ALA H 5.350 2.200 5.350 4.599 3.906 5.169 . 0 0 "[ . 1 . 2]" 1
468 1 35 LEU HA 1 35 LEU MD1 3.960 2.200 3.960 2.155 2.060 2.267 0.140 8 0 "[ . 1 . 2]" 1
469 1 35 LEU HA 1 36 ASP H 3.250 2.200 3.250 2.190 2.148 2.285 0.052 9 0 "[ . 1 . 2]" 1
470 1 35 LEU HA 1 37 GLU H 4.850 2.200 4.850 4.156 3.660 4.507 . 0 0 "[ . 1 . 2]" 1
471 1 35 LEU HB2 1 35 LEU MD1 4.120 2.200 4.120 2.248 2.169 2.344 0.031 5 0 "[ . 1 . 2]" 1
472 1 35 LEU HB2 1 35 LEU MD2 4.510 2.200 4.510 2.466 2.365 2.563 . 0 0 "[ . 1 . 2]" 1
473 1 35 LEU HB2 1 36 ASP H 4.850 2.200 4.850 4.290 4.109 4.473 . 0 0 "[ . 1 . 2]" 1
474 1 35 LEU HB2 1 37 GLU H 5.250 2.200 5.250 4.975 4.645 5.192 . 0 0 "[ . 1 . 2]" 1
475 1 35 LEU HB3 1 35 LEU MD2 4.060 2.200 4.060 2.298 2.203 2.387 . 0 0 "[ . 1 . 2]" 1
476 1 35 LEU HB3 1 36 ASP H 5.260 2.200 5.260 4.120 3.730 4.287 . 0 0 "[ . 1 . 2]" 1
477 1 35 LEU HB3 1 37 GLU H 4.570 2.200 4.570 4.029 3.432 4.361 . 0 0 "[ . 1 . 2]" 1
478 1 35 LEU HB3 1 38 ALA H 4.520 2.200 4.520 2.753 2.269 3.391 . 0 0 "[ . 1 . 2]" 1
479 1 35 LEU HG 1 36 ASP H 4.320 2.200 4.320 2.863 2.188 3.362 0.012 1 0 "[ . 1 . 2]" 1
480 1 35 LEU HG 1 37 GLU H 4.640 2.200 4.640 2.192 2.015 2.655 0.185 2 0 "[ . 1 . 2]" 1
481 1 35 LEU MD1 1 36 ASP H 3.650 2.200 3.650 2.665 2.297 3.225 . 0 0 "[ . 1 . 2]" 1
482 1 35 LEU MD1 1 37 GLU H 5.070 2.200 5.070 3.494 3.151 4.213 . 0 0 "[ . 1 . 2]" 1
483 1 35 LEU MD2 1 37 GLU H 5.340 2.200 5.340 3.527 3.089 3.730 . 0 0 "[ . 1 . 2]" 1
484 1 35 LEU MD2 1 38 ALA MB 4.310 2.200 4.310 2.669 2.070 3.666 0.130 9 0 "[ . 1 . 2]" 1
485 1 36 ASP H 1 36 ASP HB2 4.310 2.200 4.310 2.910 2.280 3.645 . 0 0 "[ . 1 . 2]" 1
486 1 36 ASP H 1 36 ASP HB3 4.310 2.200 4.310 2.870 2.418 3.637 . 0 0 "[ . 1 . 2]" 1
487 1 36 ASP H 1 36 ASP QB 3.620 2.200 3.620 2.392 2.199 2.716 0.001 4 0 "[ . 1 . 2]" 1
488 1 36 ASP H 1 37 GLU H 3.800 2.200 3.800 2.838 2.664 3.157 . 0 0 "[ . 1 . 2]" 1
489 1 36 ASP H 1 38 ALA H 5.030 2.200 5.030 4.076 3.725 4.507 . 0 0 "[ . 1 . 2]" 1
490 1 36 ASP HA 1 38 ALA H 4.660 2.200 4.660 4.025 3.693 4.344 . 0 0 "[ . 1 . 2]" 1
491 1 36 ASP HB2 1 37 GLU H 5.060 2.200 5.060 3.468 2.437 4.190 . 0 0 "[ . 1 . 2]" 1
492 1 36 ASP HB2 1 38 ALA H 6.000 2.200 6.000 5.316 4.703 5.745 . 0 0 "[ . 1 . 2]" 1
493 1 36 ASP HB3 1 37 GLU H 5.060 2.200 5.060 3.329 2.418 4.201 . 0 0 "[ . 1 . 2]" 1
494 1 36 ASP HB3 1 38 ALA H 6.000 2.200 6.000 5.239 4.672 5.779 . 0 0 "[ . 1 . 2]" 1
495 1 36 ASP QB 1 37 GLU H 4.330 2.200 4.330 2.876 2.388 3.738 . 0 0 "[ . 1 . 2]" 1
496 1 37 GLU H 1 37 GLU HG2 4.180 2.200 4.180 3.406 2.077 3.897 0.123 4 0 "[ . 1 . 2]" 1
497 1 37 GLU H 1 37 GLU HG3 4.180 2.200 4.180 2.711 2.194 3.641 0.006 3 0 "[ . 1 . 2]" 1
498 1 37 GLU H 1 37 GLU QG 3.630 2.200 3.630 2.443 2.063 3.059 0.137 4 0 "[ . 1 . 2]" 1
499 1 37 GLU H 1 38 ALA H 3.810 2.200 3.810 2.592 2.477 2.655 . 0 0 "[ . 1 . 2]" 1
500 1 37 GLU H 1 38 ALA MB 4.610 2.200 4.610 4.303 4.075 4.476 . 0 0 "[ . 1 . 2]" 1
501 1 37 GLU HA 1 37 GLU HG2 4.560 2.200 4.560 2.856 2.337 3.555 . 0 0 "[ . 1 . 2]" 1
502 1 37 GLU HA 1 37 GLU HG3 4.560 2.200 4.560 2.867 2.220 3.837 . 0 0 "[ . 1 . 2]" 1
503 1 37 GLU HA 1 37 GLU QG 3.970 2.200 3.970 2.406 2.197 3.276 0.003 18 0 "[ . 1 . 2]" 1
504 1 37 GLU QB 1 38 ALA H 4.950 2.200 4.950 2.909 2.704 3.381 . 0 0 "[ . 1 . 2]" 1
505 1 37 GLU QG 1 38 ALA H 5.380 2.200 5.380 4.281 4.113 4.627 . 0 0 "[ . 1 . 2]" 1
506 1 37 GLU QG 1 38 ALA MB 5.640 2.200 5.640 5.310 4.910 5.692 0.052 18 0 "[ . 1 . 2]" 1
507 1 38 ALA H 1 38 ALA MB 3.480 2.200 3.480 2.313 2.183 2.464 0.017 17 0 "[ . 1 . 2]" 1
508 1 38 ALA H 1 39 ARG H 4.660 2.200 4.660 4.213 3.623 4.586 . 0 0 "[ . 1 . 2]" 1
509 1 38 ALA HA 1 39 ARG H 3.240 2.200 3.240 2.208 2.152 2.466 0.048 16 0 "[ . 1 . 2]" 1
510 1 38 ALA MB 1 39 ARG H 4.240 2.200 4.240 3.326 2.797 3.679 . 0 0 "[ . 1 . 2]" 1
511 1 39 ARG H 1 39 ARG HB2 3.790 2.200 3.790 2.680 2.254 3.666 . 0 0 "[ . 1 . 2]" 1
512 1 39 ARG H 1 39 ARG HB3 3.790 2.200 3.790 3.400 2.291 3.703 . 0 0 "[ . 1 . 2]" 1
513 1 39 ARG H 1 39 ARG HD2 5.970 2.200 5.970 4.455 2.217 5.578 . 0 0 "[ . 1 . 2]" 1
514 1 39 ARG H 1 39 ARG HD3 5.970 2.200 5.970 4.314 2.431 5.878 . 0 0 "[ . 1 . 2]" 1
515 1 39 ARG H 1 39 ARG HG2 4.930 2.200 4.930 3.574 2.064 4.372 0.136 17 0 "[ . 1 . 2]" 1
516 1 39 ARG H 1 39 ARG HG3 4.930 2.200 4.930 2.938 2.006 4.684 0.194 19 0 "[ . 1 . 2]" 1
517 1 39 ARG H 1 39 ARG QB 3.320 2.200 3.320 2.489 2.188 3.133 0.012 7 0 "[ . 1 . 2]" 1
518 1 39 ARG H 1 39 ARG QD 5.170 2.200 5.170 3.800 2.198 4.641 0.002 17 0 "[ . 1 . 2]" 1
519 1 39 ARG H 1 39 ARG QG 4.270 2.200 4.270 2.653 1.994 4.018 0.206 19 0 "[ . 1 . 2]" 1
520 1 39 ARG H 1 40 HIS H 5.130 2.200 5.130 4.262 3.708 4.552 . 0 0 "[ . 1 . 2]" 1
521 1 39 ARG H 1 73 TYR HE1 5.450 2.200 5.450 4.444 3.166 5.511 0.061 18 0 "[ . 1 . 2]" 1
522 1 39 ARG HA 1 39 ARG HD2 6.000 2.200 6.000 4.479 2.626 5.426 . 0 0 "[ . 1 . 2]" 1
523 1 39 ARG HA 1 39 ARG HD3 6.000 2.200 6.000 4.523 2.915 5.026 . 0 0 "[ . 1 . 2]" 1
524 1 39 ARG HA 1 39 ARG QD 5.200 2.200 5.200 3.950 2.569 4.370 . 0 0 "[ . 1 . 2]" 1
525 1 39 ARG HA 1 40 HIS H 3.710 2.200 3.710 2.197 2.113 2.442 0.087 19 0 "[ . 1 . 2]" 1
526 1 39 ARG HA 1 73 TYR HD1 4.190 2.200 4.190 3.847 3.100 4.301 0.111 1 0 "[ . 1 . 2]" 1
527 1 39 ARG HA 1 73 TYR HE1 4.330 2.200 4.330 2.919 2.193 3.650 0.007 19 0 "[ . 1 . 2]" 1
528 1 39 ARG HB2 1 40 HIS H 4.670 2.200 4.670 4.254 3.570 4.587 . 0 0 "[ . 1 . 2]" 1
529 1 39 ARG HB3 1 40 HIS H 4.670 2.200 4.670 3.796 2.990 4.605 . 0 0 "[ . 1 . 2]" 1
530 1 39 ARG HG2 1 40 HIS H 5.690 2.200 5.690 4.536 2.847 5.627 . 0 0 "[ . 1 . 2]" 1
531 1 39 ARG HG3 1 40 HIS H 5.690 2.200 5.690 5.011 4.218 5.757 0.067 17 0 "[ . 1 . 2]" 1
532 1 39 ARG QB 1 39 ARG QD 3.740 2.200 3.740 2.398 2.159 2.863 0.041 5 0 "[ . 1 . 2]" 1
533 1 39 ARG QB 1 40 HIS H 4.060 2.200 4.060 3.505 2.921 3.933 . 0 0 "[ . 1 . 2]" 1
534 1 39 ARG QG 1 40 HIS H 4.990 2.200 4.990 4.143 2.805 4.841 . 0 0 "[ . 1 . 2]" 1
535 1 40 HIS H 1 40 HIS HB2 4.680 2.200 4.680 3.577 3.520 3.649 . 0 0 "[ . 1 . 2]" 1
536 1 40 HIS H 1 40 HIS HB3 4.680 2.200 4.680 2.800 2.611 3.079 . 0 0 "[ . 1 . 2]" 1
537 1 40 HIS H 1 41 GLY H 5.020 2.200 5.020 2.738 2.206 3.113 . 0 0 "[ . 1 . 2]" 1
538 1 40 HIS H 1 41 GLY QA 5.550 2.200 5.550 4.518 4.081 4.772 . 0 0 "[ . 1 . 2]" 1
539 1 40 HIS HA 1 40 HIS HD2 4.670 2.200 4.670 4.362 4.215 4.582 . 0 0 "[ . 1 . 2]" 1
540 1 40 HIS HA 1 41 GLY H 4.050 2.200 4.050 3.506 3.460 3.531 . 0 0 "[ . 1 . 2]" 1
541 1 40 HIS HB2 1 42 PHE HE2 4.980 2.200 4.980 3.287 3.110 3.600 . 0 0 "[ . 1 . 2]" 1
542 1 40 HIS HB3 1 42 PHE HE2 4.980 2.200 4.980 3.541 3.229 3.789 . 0 0 "[ . 1 . 2]" 1
543 1 40 HIS HD2 1 73 TYR HD1 4.640 2.200 4.640 3.048 2.391 3.650 . 0 0 "[ . 1 . 2]" 1
544 1 40 HIS HD2 1 73 TYR HE1 4.640 2.200 4.640 4.432 3.431 4.715 0.075 20 0 "[ . 1 . 2]" 1
545 1 40 HIS HE1 1 42 PHE HD2 6.000 2.200 6.000 5.298 4.757 6.008 0.008 1 0 "[ . 1 . 2]" 1
546 1 40 HIS HE1 1 69 VAL MG1 4.390 2.200 4.390 2.523 2.158 3.362 0.042 19 0 "[ . 1 . 2]" 1
547 1 40 HIS HE1 1 69 VAL MG2 4.380 2.200 4.380 4.194 3.697 4.522 0.142 10 0 "[ . 1 . 2]" 1
548 1 40 HIS QB 1 41 GLY H 4.660 2.200 4.660 3.166 3.057 3.298 . 0 0 "[ . 1 . 2]" 1
549 1 40 HIS QB 1 42 PHE HE2 4.310 2.200 4.310 3.022 2.856 3.199 . 0 0 "[ . 1 . 2]" 1
550 1 41 GLY H 1 42 PHE H 4.110 2.200 4.110 2.313 2.243 2.399 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLY H 1 42 PHE HB2 5.330 2.200 5.330 4.723 4.568 4.821 . 0 0 "[ . 1 . 2]" 1
552 1 41 GLY H 1 42 PHE HB3 5.750 2.200 5.750 5.900 5.826 5.963 0.213 2 0 "[ . 1 . 2]" 1
553 1 42 PHE H 1 43 GLU H 5.090 2.200 5.090 4.553 4.522 4.591 . 0 0 "[ . 1 . 2]" 1
554 1 42 PHE HA 1 42 PHE HD2 5.400 2.200 5.400 4.725 4.685 4.751 . 0 0 "[ . 1 . 2]" 1
555 1 42 PHE HA 1 43 GLU H 3.600 2.200 3.600 2.217 2.167 2.304 0.033 2 0 "[ . 1 . 2]" 1
556 1 42 PHE HB2 1 43 GLU H 3.840 2.200 3.840 3.773 3.522 3.910 0.070 5 0 "[ . 1 . 2]" 1
557 1 42 PHE HB2 1 46 ASP H 6.000 2.200 6.000 6.064 5.935 6.165 0.165 16 0 "[ . 1 . 2]" 1
558 1 42 PHE HB2 1 67 ILE MD 3.990 2.200 3.990 2.516 2.262 2.857 . 0 0 "[ . 1 . 2]" 1
559 1 42 PHE HB2 1 69 VAL MG1 4.770 2.200 4.770 2.572 2.098 2.824 0.102 9 0 "[ . 1 . 2]" 1
560 1 42 PHE HB3 1 43 GLU H 3.740 2.200 3.740 2.819 2.460 3.038 . 0 0 "[ . 1 . 2]" 1
561 1 42 PHE HB3 1 67 ILE MD 3.840 2.200 3.840 2.139 1.867 2.262 0.333 9 0 "[ . 1 . 2]" 1
562 1 42 PHE HD2 1 67 ILE MD 4.600 2.200 4.600 3.190 2.521 3.483 . 0 0 "[ . 1 . 2]" 1
563 1 42 PHE HD1 1 43 GLU H 5.080 2.200 5.080 4.312 4.120 4.441 . 0 0 "[ . 1 . 2]" 1
564 1 42 PHE HE2 1 67 ILE MD 5.510 2.200 5.510 5.177 3.935 5.472 . 0 0 "[ . 1 . 2]" 1
565 1 42 PHE HE2 1 92 VAL MG1 4.600 2.200 4.600 2.154 2.088 2.223 0.112 10 0 "[ . 1 . 2]" 1
566 1 42 PHE HE1 1 94 GLN HB2 5.450 2.200 5.450 3.537 2.215 4.540 . 0 0 "[ . 1 . 2]" 1
567 1 42 PHE HZ 1 48 VAL MG2 5.640 2.200 5.640 4.523 4.179 4.944 . 0 0 "[ . 1 . 2]" 1
568 1 42 PHE HZ 1 92 VAL MG1 3.950 2.200 3.950 2.336 2.170 2.540 0.030 3 0 "[ . 1 . 2]" 1
569 1 42 PHE HZ 1 93 SER H 5.480 2.200 5.480 3.929 3.406 4.786 . 0 0 "[ . 1 . 2]" 1
570 1 43 GLU H 1 43 GLU HB2 4.130 2.200 4.130 2.555 2.368 2.818 . 0 0 "[ . 1 . 2]" 1
571 1 43 GLU H 1 43 GLU HB3 3.940 2.200 3.940 3.598 3.153 3.784 . 0 0 "[ . 1 . 2]" 1
572 1 43 GLU H 1 43 GLU QG 5.130 2.200 5.130 3.196 2.714 4.080 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLU H 1 46 ASP H 4.560 2.200 4.560 3.799 3.593 4.109 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLU H 1 46 ASP HB2 4.680 2.200 4.680 2.173 2.066 2.510 0.134 7 0 "[ . 1 . 2]" 1
575 1 43 GLU H 1 67 ILE HG13 5.090 2.200 5.090 4.580 4.198 4.952 . 0 0 "[ . 1 . 2]" 1
576 1 43 GLU H 1 67 ILE MD 4.210 2.200 4.210 3.538 3.250 3.797 . 0 0 "[ . 1 . 2]" 1
577 1 43 GLU H 1 69 VAL MG1 4.540 2.200 4.540 3.971 3.451 4.419 . 0 0 "[ . 1 . 2]" 1
578 1 43 GLU HB3 1 44 THR H 4.280 2.200 4.280 2.577 2.213 2.918 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLU HB3 1 46 ASP H 4.930 2.200 4.930 4.464 3.660 4.998 0.068 11 0 "[ . 1 . 2]" 1
580 1 43 GLU HG2 1 44 THR H 4.610 2.200 4.610 3.939 3.088 4.658 0.048 20 0 "[ . 1 . 2]" 1
581 1 43 GLU HG3 1 44 THR H 4.610 2.200 4.610 4.489 3.885 4.784 0.174 4 0 "[ . 1 . 2]" 1
582 1 43 GLU QG 1 44 THR H 3.990 2.200 3.990 3.676 2.992 4.172 0.182 7 0 "[ . 1 . 2]" 1
583 1 44 THR H 1 44 THR HB 3.580 2.200 3.580 2.806 2.463 3.336 . 0 0 "[ . 1 . 2]" 1
584 1 44 THR H 1 44 THR MG 4.250 2.200 4.250 3.653 3.088 3.818 . 0 0 "[ . 1 . 2]" 1
585 1 44 THR H 1 45 GLY H 4.850 2.200 4.850 4.506 4.417 4.548 . 0 0 "[ . 1 . 2]" 1
586 1 44 THR H 1 67 ILE MD 5.410 2.200 5.410 4.319 3.841 5.507 0.097 9 0 "[ . 1 . 2]" 1
587 1 44 THR H 1 69 VAL MG1 4.030 2.200 4.030 3.650 2.862 4.045 0.015 15 0 "[ . 1 . 2]" 1
588 1 44 THR H 1 69 VAL MG2 4.460 2.200 4.460 2.660 2.226 3.241 . 0 0 "[ . 1 . 2]" 1
589 1 44 THR HA 1 44 THR MG 3.860 2.200 3.860 2.268 2.150 2.430 0.050 2 0 "[ . 1 . 2]" 1
590 1 44 THR HA 1 45 GLY H 3.420 2.200 3.420 2.183 2.141 2.236 0.059 3 0 "[ . 1 . 2]" 1
591 1 44 THR HA 1 46 ASP H 4.910 2.200 4.910 3.352 3.183 3.550 . 0 0 "[ . 1 . 2]" 1
592 1 44 THR HA 1 68 LYS H 5.820 2.200 5.820 4.953 4.575 5.533 . 0 0 "[ . 1 . 2]" 1
593 1 44 THR HA 1 68 LYS HA 3.920 2.200 3.920 2.456 2.128 3.316 0.072 4 0 "[ . 1 . 2]" 1
594 1 44 THR HA 1 69 VAL H 4.110 2.200 4.110 2.596 2.327 2.867 . 0 0 "[ . 1 . 2]" 1
595 1 44 THR HA 1 69 VAL MG1 4.870 2.200 4.870 3.352 2.893 3.570 . 0 0 "[ . 1 . 2]" 1
596 1 44 THR HB 1 45 GLY H 5.070 2.200 5.070 4.080 3.634 4.275 . 0 0 "[ . 1 . 2]" 1
597 1 44 THR HB 1 69 VAL H 5.570 2.200 5.570 4.628 4.062 5.135 . 0 0 "[ . 1 . 2]" 1
598 1 44 THR HB 1 69 VAL MG2 5.080 2.200 5.080 3.900 3.423 4.171 . 0 0 "[ . 1 . 2]" 1
599 1 44 THR MG 1 45 GLY H 3.840 2.200 3.840 2.849 2.466 3.405 . 0 0 "[ . 1 . 2]" 1
600 1 44 THR MG 1 68 LYS QB 4.150 2.200 4.150 2.985 2.253 4.082 . 0 0 "[ . 1 . 2]" 1
601 1 44 THR MG 1 69 VAL H 4.000 2.200 4.000 2.754 2.156 3.576 0.044 19 0 "[ . 1 . 2]" 1
602 1 45 GLY H 1 46 ASP H 3.730 2.200 3.730 2.401 2.211 2.529 . 0 0 "[ . 1 . 2]" 1
603 1 45 GLY H 1 46 ASP HB3 5.420 2.200 5.420 5.009 4.593 5.607 0.187 3 0 "[ . 1 . 2]" 1
604 1 45 GLY H 1 66 GLU HG2 4.930 2.200 4.930 3.528 3.176 3.884 . 0 0 "[ . 1 . 2]" 1
605 1 45 GLY H 1 66 GLU HG3 4.930 2.200 4.930 4.011 3.552 4.445 . 0 0 "[ . 1 . 2]" 1
606 1 45 GLY H 1 67 ILE H 5.020 2.200 5.020 3.492 3.211 3.752 . 0 0 "[ . 1 . 2]" 1
607 1 45 GLY H 1 67 ILE HG13 4.440 2.200 4.440 3.794 3.245 4.115 . 0 0 "[ . 1 . 2]" 1
608 1 45 GLY H 1 69 VAL H 4.630 2.200 4.630 4.312 3.970 4.579 . 0 0 "[ . 1 . 2]" 1
609 1 45 GLY H 1 69 VAL MG1 4.840 2.200 4.840 4.796 4.315 4.961 0.121 7 0 "[ . 1 . 2]" 1
610 1 45 GLY H 1 69 VAL MG2 5.210 2.200 5.210 4.902 4.382 5.286 0.076 3 0 "[ . 1 . 2]" 1
611 1 45 GLY HA2 1 46 ASP H 3.940 2.200 3.940 3.288 3.209 3.392 . 0 0 "[ . 1 . 2]" 1
612 1 45 GLY HA2 1 66 GLU HG2 5.540 2.200 5.540 2.430 2.151 2.954 0.049 17 0 "[ . 1 . 2]" 1
613 1 45 GLY HA2 1 66 GLU HG3 5.540 2.200 5.540 2.261 2.118 2.510 0.082 1 0 "[ . 1 . 2]" 1
614 1 45 GLY HA3 1 66 GLU HG2 4.950 2.200 4.950 4.154 3.844 4.710 . 0 0 "[ . 1 . 2]" 1
615 1 45 GLY HA3 1 66 GLU HG3 4.950 2.200 4.950 3.600 3.312 3.893 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLY HA3 1 66 GLU QG 4.270 2.200 4.270 3.387 3.153 3.639 . 0 0 "[ . 1 . 2]" 1
617 1 45 GLY HA3 1 67 ILE H 5.360 2.200 5.360 5.008 4.788 5.131 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP H 1 46 ASP HB2 3.640 2.200 3.640 2.456 2.205 2.638 . 0 0 "[ . 1 . 2]" 1
619 1 46 ASP H 1 46 ASP HB3 3.750 2.200 3.750 2.832 2.554 3.545 . 0 0 "[ . 1 . 2]" 1
620 1 46 ASP H 1 47 PHE H 5.110 2.200 5.110 4.560 4.521 4.633 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP H 1 48 VAL MG1 5.480 2.200 5.480 5.079 4.859 5.293 . 0 0 "[ . 1 . 2]" 1
622 1 46 ASP H 1 66 GLU QG 4.530 2.200 4.530 3.835 3.644 4.164 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP H 1 67 ILE HG12 4.650 2.200 4.650 4.459 3.177 4.723 0.073 15 0 "[ . 1 . 2]" 1
624 1 46 ASP H 1 67 ILE HG13 4.380 2.200 4.380 3.035 2.767 3.313 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP H 1 67 ILE MD 4.060 2.200 4.060 3.013 2.741 3.804 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP H 1 67 ILE MG 5.280 2.200 5.280 4.950 4.712 5.197 . 0 0 "[ . 1 . 2]" 1
627 1 46 ASP H 1 69 VAL H 5.540 2.200 5.540 5.526 5.265 5.702 0.162 2 0 "[ . 1 . 2]" 1
628 1 46 ASP H 1 69 VAL MG1 5.320 2.200 5.320 4.813 4.586 5.083 . 0 0 "[ . 1 . 2]" 1
629 1 46 ASP H 1 69 VAL MG2 5.950 2.200 5.950 5.391 4.847 5.865 . 0 0 "[ . 1 . 2]" 1
630 1 46 ASP HA 1 47 PHE H 3.450 2.200 3.450 2.374 2.219 2.459 . 0 0 "[ . 1 . 2]" 1
631 1 46 ASP HA 1 67 ILE H 5.240 2.200 5.240 4.619 4.489 4.812 . 0 0 "[ . 1 . 2]" 1
632 1 46 ASP HB2 1 47 PHE H 4.790 2.200 4.790 3.891 3.796 4.079 . 0 0 "[ . 1 . 2]" 1
633 1 46 ASP HB2 1 67 ILE H 5.900 2.200 5.900 5.124 4.126 5.545 . 0 0 "[ . 1 . 2]" 1
634 1 46 ASP HB2 1 67 ILE MD 4.810 2.200 4.810 3.840 2.659 4.306 . 0 0 "[ . 1 . 2]" 1
635 1 46 ASP HB3 1 47 PHE H 4.110 2.200 4.110 3.229 2.474 3.521 . 0 0 "[ . 1 . 2]" 1
636 1 46 ASP HB3 1 67 ILE HG13 5.210 2.200 5.210 3.072 2.744 3.771 . 0 0 "[ . 1 . 2]" 1
637 1 46 ASP HB3 1 67 ILE MD 4.910 2.200 4.910 3.335 2.176 4.205 0.024 9 0 "[ . 1 . 2]" 1
638 1 47 PHE H 1 47 PHE HB2 3.990 2.200 3.990 2.476 2.395 2.552 . 0 0 "[ . 1 . 2]" 1
639 1 47 PHE H 1 47 PHE HB3 4.190 2.200 4.190 3.681 3.634 3.732 . 0 0 "[ . 1 . 2]" 1
640 1 47 PHE H 1 47 PHE QD 4.190 2.200 4.190 2.702 2.611 2.823 . 0 0 "[ . 1 . 2]" 1
641 1 47 PHE H 1 47 PHE QE 4.990 2.200 4.990 4.845 4.650 4.951 . 0 0 "[ . 1 . 2]" 1
642 1 47 PHE H 1 48 VAL MG1 5.060 2.200 5.060 3.898 3.637 4.102 . 0 0 "[ . 1 . 2]" 1
643 1 47 PHE H 1 66 GLU HA 5.160 2.200 5.160 4.529 4.342 4.713 . 0 0 "[ . 1 . 2]" 1
644 1 47 PHE H 1 67 ILE H 6.000 2.200 6.000 4.983 4.875 5.108 . 0 0 "[ . 1 . 2]" 1
645 1 47 PHE H 1 67 ILE MG 5.980 2.200 5.980 5.046 4.699 5.298 . 0 0 "[ . 1 . 2]" 1
646 1 47 PHE H 1 94 GLN HA 6.000 2.200 6.000 5.004 4.556 5.456 . 0 0 "[ . 1 . 2]" 1
647 1 47 PHE H 1 95 VAL H 5.130 2.200 5.130 3.962 3.715 4.368 . 0 0 "[ . 1 . 2]" 1
648 1 47 PHE H 1 95 VAL HB 5.320 2.200 5.320 4.973 4.560 5.346 0.026 13 0 "[ . 1 . 2]" 1
649 1 47 PHE H 1 95 VAL MG1 6.000 2.200 6.000 5.778 4.974 6.037 0.037 9 0 "[ . 1 . 2]" 1
650 1 47 PHE H 1 95 VAL MG2 6.000 2.200 6.000 5.607 4.646 6.085 0.085 15 0 "[ . 1 . 2]" 1
651 1 47 PHE HA 1 48 VAL H 3.560 2.200 3.560 2.192 2.155 2.221 0.045 18 0 "[ . 1 . 2]" 1
652 1 47 PHE HA 1 48 VAL MG2 5.130 2.200 5.130 4.057 3.923 4.224 . 0 0 "[ . 1 . 2]" 1
653 1 47 PHE HA 1 65 MET H 4.730 2.200 4.730 3.999 3.734 4.214 . 0 0 "[ . 1 . 2]" 1
654 1 47 PHE HA 1 66 GLU H 4.810 2.200 4.810 4.271 4.006 4.406 . 0 0 "[ . 1 . 2]" 1
655 1 47 PHE HA 1 66 GLU HA 4.060 2.200 4.060 2.487 2.227 2.787 . 0 0 "[ . 1 . 2]" 1
656 1 47 PHE HA 1 67 ILE H 4.480 2.200 4.480 3.609 3.454 3.773 . 0 0 "[ . 1 . 2]" 1
657 1 47 PHE HB2 1 48 VAL H 4.800 2.200 4.800 4.240 4.117 4.332 . 0 0 "[ . 1 . 2]" 1
658 1 47 PHE HB2 1 65 MET H 6.000 2.200 6.000 5.614 5.325 6.004 0.004 19 0 "[ . 1 . 2]" 1
659 1 47 PHE HB2 1 95 VAL H 5.140 2.200 5.140 3.810 3.439 4.181 . 0 0 "[ . 1 . 2]" 1
660 1 47 PHE HB2 1 95 VAL MG1 5.610 2.200 5.610 4.186 3.164 4.573 . 0 0 "[ . 1 . 2]" 1
661 1 47 PHE HB2 1 95 VAL MG2 5.370 2.200 5.370 4.547 3.280 5.222 . 0 0 "[ . 1 . 2]" 1
662 1 47 PHE HB3 1 48 VAL H 4.350 2.200 4.350 3.205 2.960 3.390 . 0 0 "[ . 1 . 2]" 1
663 1 47 PHE HB3 1 64 PRO HB2 4.560 2.200 4.560 2.472 2.130 2.860 0.070 13 0 "[ . 1 . 2]" 1
664 1 47 PHE HB3 1 64 PRO HB3 5.310 2.200 5.310 3.744 2.874 4.348 . 0 0 "[ . 1 . 2]" 1
665 1 47 PHE HB3 1 95 VAL HB 4.580 2.200 4.580 3.205 2.646 3.661 . 0 0 "[ . 1 . 2]" 1
666 1 47 PHE HB3 1 95 VAL MG1 5.540 2.200 5.540 4.220 3.269 4.753 . 0 0 "[ . 1 . 2]" 1
667 1 47 PHE HB3 1 95 VAL MG2 5.180 2.200 5.180 4.047 2.831 4.862 . 0 0 "[ . 1 . 2]" 1
668 1 47 PHE QD 1 48 VAL H 4.990 2.200 4.990 3.934 3.626 4.120 . 0 0 "[ . 1 . 2]" 1
669 1 47 PHE QD 1 65 MET H 5.070 2.200 5.070 3.792 3.311 4.194 . 0 0 "[ . 1 . 2]" 1
670 1 47 PHE QD 1 66 GLU H 4.540 2.200 4.540 3.281 2.872 3.947 . 0 0 "[ . 1 . 2]" 1
671 1 47 PHE QE 1 66 GLU H 4.360 2.200 4.360 3.070 2.564 3.600 . 0 0 "[ . 1 . 2]" 1
672 1 47 PHE QE 1 66 GLU HB2 5.330 2.200 5.330 2.734 2.338 3.399 . 0 0 "[ . 1 . 2]" 1
673 1 47 PHE QE 1 66 GLU QG 5.840 2.200 5.840 3.706 2.958 4.233 . 0 0 "[ . 1 . 2]" 1
674 1 48 VAL H 1 48 VAL MG1 4.310 2.200 4.310 2.654 2.517 2.785 . 0 0 "[ . 1 . 2]" 1
675 1 48 VAL H 1 48 VAL MG2 3.820 2.200 3.820 2.380 2.231 2.553 . 0 0 "[ . 1 . 2]" 1
676 1 48 VAL H 1 49 SER H 5.170 2.200 5.170 4.416 4.371 4.458 . 0 0 "[ . 1 . 2]" 1
677 1 48 VAL H 1 64 PRO HA 5.160 2.200 5.160 4.131 3.831 4.299 . 0 0 "[ . 1 . 2]" 1
678 1 48 VAL H 1 64 PRO HB2 4.890 2.200 4.890 3.973 3.559 4.571 . 0 0 "[ . 1 . 2]" 1
679 1 48 VAL H 1 64 PRO QG 5.710 2.200 5.710 5.513 5.300 5.714 0.004 18 0 "[ . 1 . 2]" 1
680 1 48 VAL H 1 65 MET H 4.030 2.200 4.030 2.563 2.306 2.788 . 0 0 "[ . 1 . 2]" 1
681 1 48 VAL H 1 65 MET HA 5.240 2.200 5.240 4.458 4.327 4.605 . 0 0 "[ . 1 . 2]" 1
682 1 48 VAL H 1 65 MET HG2 5.110 2.200 5.110 3.554 3.192 3.802 . 0 0 "[ . 1 . 2]" 1
683 1 48 VAL H 1 65 MET HG3 6.000 2.200 6.000 4.359 3.423 5.361 . 0 0 "[ . 1 . 2]" 1
684 1 48 VAL H 1 65 MET ME 5.360 2.200 5.360 5.142 4.656 5.396 0.036 13 0 "[ . 1 . 2]" 1
685 1 48 VAL H 1 66 GLU H 5.670 2.200 5.670 4.967 4.797 5.073 . 0 0 "[ . 1 . 2]" 1
686 1 48 VAL H 1 66 GLU HA 4.390 2.200 4.390 4.087 3.893 4.347 . 0 0 "[ . 1 . 2]" 1
687 1 48 VAL H 1 67 ILE H 5.690 2.200 5.690 4.773 4.580 4.889 . 0 0 "[ . 1 . 2]" 1
688 1 48 VAL H 1 67 ILE MG 4.580 2.200 4.580 2.827 2.710 2.981 . 0 0 "[ . 1 . 2]" 1
689 1 48 VAL H 1 95 VAL MG2 5.080 2.200 5.080 4.354 3.383 4.978 . 0 0 "[ . 1 . 2]" 1
690 1 48 VAL HA 1 48 VAL MG1 4.120 2.200 4.120 2.530 2.425 2.617 . 0 0 "[ . 1 . 2]" 1
691 1 48 VAL HA 1 49 SER H 3.470 2.200 3.470 2.287 2.209 2.332 . 0 0 "[ . 1 . 2]" 1
692 1 48 VAL HA 1 92 VAL MG2 5.130 2.200 5.130 4.204 3.924 4.410 . 0 0 "[ . 1 . 2]" 1
693 1 48 VAL HA 1 95 VAL H 3.910 2.200 3.910 2.607 2.161 3.011 0.039 1 0 "[ . 1 . 2]" 1
694 1 48 VAL HA 1 95 VAL MG2 4.280 2.200 4.280 2.597 2.258 3.003 . 0 0 "[ . 1 . 2]" 1
695 1 48 VAL HB 1 49 SER H 3.620 2.200 3.620 2.457 2.321 2.545 . 0 0 "[ . 1 . 2]" 1
696 1 48 VAL HB 1 65 MET H 6.000 2.200 6.000 5.340 5.180 5.535 . 0 0 "[ . 1 . 2]" 1
697 1 48 VAL HB 1 92 VAL MG2 3.820 2.200 3.820 2.318 2.081 2.522 0.119 17 0 "[ . 1 . 2]" 1
698 1 48 VAL HB 1 93 SER H 4.010 2.200 4.010 3.415 3.102 3.706 . 0 0 "[ . 1 . 2]" 1
699 1 48 VAL MG1 1 49 SER H 4.530 2.200 4.530 3.867 3.779 3.927 . 0 0 "[ . 1 . 2]" 1
700 1 48 VAL MG1 1 67 ILE H 5.100 2.200 5.100 4.242 4.001 4.486 . 0 0 "[ . 1 . 2]" 1
701 1 48 VAL MG1 1 67 ILE MG 3.860 2.200 3.860 2.167 2.079 2.468 0.121 16 0 "[ . 1 . 2]" 1
702 1 48 VAL MG1 1 75 PHE HE2 4.880 2.200 4.880 2.313 2.088 2.815 0.112 1 0 "[ . 1 . 2]" 1
703 1 48 VAL MG1 1 92 VAL MG1 5.150 2.200 5.150 4.376 4.171 4.512 . 0 0 "[ . 1 . 2]" 1
704 1 48 VAL MG1 1 92 VAL MG2 4.080 2.200 4.080 2.944 2.653 3.223 . 0 0 "[ . 1 . 2]" 1
705 1 48 VAL MG1 1 93 SER H 5.060 2.200 5.060 4.798 4.530 5.041 . 0 0 "[ . 1 . 2]" 1
706 1 48 VAL MG1 1 94 GLN HA 4.290 2.200 4.290 2.165 2.116 2.234 0.084 15 0 "[ . 1 . 2]" 1
707 1 48 VAL MG1 1 94 GLN HB2 5.150 2.200 5.150 3.251 2.356 4.533 . 0 0 "[ . 1 . 2]" 1
708 1 48 VAL MG1 1 95 VAL H 4.280 2.200 4.280 3.448 3.124 3.813 . 0 0 "[ . 1 . 2]" 1
709 1 48 VAL MG1 1 95 VAL MG2 5.150 2.200 5.150 4.347 3.864 4.648 . 0 0 "[ . 1 . 2]" 1
710 1 48 VAL MG2 1 49 SER H 4.210 2.200 4.210 3.073 2.966 3.159 . 0 0 "[ . 1 . 2]" 1
711 1 48 VAL MG2 1 50 PHE QD 4.790 2.200 4.790 3.530 3.285 3.657 . 0 0 "[ . 1 . 2]" 1
712 1 48 VAL MG2 1 65 MET H 4.480 2.200 4.480 3.213 3.070 3.389 . 0 0 "[ . 1 . 2]" 1
713 1 48 VAL MG2 1 65 MET HG2 4.970 2.200 4.970 2.804 2.206 3.286 . 0 0 "[ . 1 . 2]" 1
714 1 48 VAL MG2 1 65 MET HG3 5.390 2.200 5.390 3.454 2.700 4.171 . 0 0 "[ . 1 . 2]" 1
715 1 48 VAL MG2 1 67 ILE H 5.340 2.200 5.340 4.942 4.826 5.092 . 0 0 "[ . 1 . 2]" 1
716 1 48 VAL MG2 1 67 ILE MG 3.920 2.200 3.920 2.005 1.912 2.091 0.288 10 0 "[ . 1 . 2]" 1
717 1 48 VAL MG2 1 75 PHE HE2 4.650 2.200 4.650 2.082 2.021 2.156 0.179 9 0 "[ . 1 . 2]" 1
718 1 48 VAL MG2 1 77 ILE MG 4.140 2.200 4.140 3.287 3.043 3.594 . 0 0 "[ . 1 . 2]" 1
719 1 48 VAL MG2 1 93 SER H 4.940 2.200 4.940 4.060 3.753 4.317 . 0 0 "[ . 1 . 2]" 1
720 1 48 VAL MG2 1 95 VAL H 6.000 2.200 6.000 5.188 4.795 5.529 . 0 0 "[ . 1 . 2]" 1
721 1 49 SER H 1 49 SER HB2 4.510 2.200 4.510 3.097 2.648 3.766 . 0 0 "[ . 1 . 2]" 1
722 1 49 SER H 1 49 SER HB3 4.370 2.200 4.370 3.663 3.352 3.840 . 0 0 "[ . 1 . 2]" 1
723 1 49 SER H 1 50 PHE HA 5.460 2.200 5.460 4.778 4.667 4.939 . 0 0 "[ . 1 . 2]" 1
724 1 49 SER H 1 50 PHE QD 5.730 2.200 5.730 5.018 4.715 5.336 . 0 0 "[ . 1 . 2]" 1
725 1 49 SER H 1 64 PRO HB2 5.240 2.200 5.240 5.359 5.144 5.568 0.328 15 0 "[ . 1 . 2]" 1
726 1 49 SER H 1 65 MET H 5.890 2.200 5.890 4.950 4.697 5.169 . 0 0 "[ . 1 . 2]" 1
727 1 49 SER H 1 65 MET ME 5.920 2.200 5.920 5.926 5.474 6.045 0.125 15 0 "[ . 1 . 2]" 1
728 1 49 SER H 1 92 VAL HA 4.990 2.200 4.990 4.573 4.372 5.030 0.040 13 0 "[ . 1 . 2]" 1
729 1 49 SER H 1 92 VAL MG1 6.000 2.200 6.000 5.726 5.490 6.009 0.009 13 0 "[ . 1 . 2]" 1
730 1 49 SER H 1 92 VAL MG2 4.080 2.200 4.080 3.401 3.119 3.739 . 0 0 "[ . 1 . 2]" 1
731 1 49 SER H 1 93 SER H 3.880 2.200 3.880 2.851 2.635 3.203 . 0 0 "[ . 1 . 2]" 1
732 1 49 SER H 1 93 SER HB2 5.730 2.200 5.730 3.647 3.191 4.686 . 0 0 "[ . 1 . 2]" 1
733 1 49 SER H 1 93 SER HB3 5.460 2.200 5.460 4.761 3.734 5.040 . 0 0 "[ . 1 . 2]" 1
734 1 49 SER H 1 94 GLN HA 4.510 2.200 4.510 3.597 3.310 4.045 . 0 0 "[ . 1 . 2]" 1
735 1 49 SER H 1 95 VAL MG2 3.970 2.200 3.970 2.801 2.248 3.117 . 0 0 "[ . 1 . 2]" 1
736 1 49 SER HB2 1 50 PHE H 4.220 2.200 4.220 3.319 2.519 3.952 . 0 0 "[ . 1 . 2]" 1
737 1 49 SER HB2 1 95 VAL MG2 4.460 2.200 4.460 3.245 2.305 4.145 . 0 0 "[ . 1 . 2]" 1
738 1 49 SER HB3 1 50 PHE H 4.330 2.200 4.330 3.053 2.520 3.753 . 0 0 "[ . 1 . 2]" 1
739 1 49 SER HB3 1 65 MET H 5.850 2.200 5.850 5.512 4.427 6.044 0.194 2 0 "[ . 1 . 2]" 1
740 1 49 SER HB3 1 95 VAL MG2 4.270 2.200 4.270 3.421 2.514 3.927 . 0 0 "[ . 1 . 2]" 1
741 1 50 PHE H 1 50 PHE HB2 3.970 2.200 3.970 2.322 2.183 2.448 0.017 9 0 "[ . 1 . 2]" 1
742 1 50 PHE H 1 50 PHE HB3 4.350 2.200 4.350 3.589 3.509 3.668 . 0 0 "[ . 1 . 2]" 1
743 1 50 PHE H 1 51 SER H 5.020 2.200 5.020 4.482 4.445 4.523 . 0 0 "[ . 1 . 2]" 1
744 1 50 PHE H 1 53 VAL QG 5.790 2.200 5.790 4.961 4.846 5.109 . 0 0 "[ . 1 . 2]" 1
745 1 50 PHE H 1 59 LEU HB2 5.330 2.200 5.330 5.484 5.340 5.577 0.247 19 0 "[ . 1 . 2]" 1
746 1 50 PHE H 1 59 LEU HB3 4.910 2.200 4.910 4.109 3.936 4.215 . 0 0 "[ . 1 . 2]" 1
747 1 50 PHE H 1 59 LEU MD1 6.000 2.200 6.000 5.622 5.436 5.809 . 0 0 "[ . 1 . 2]" 1
748 1 50 PHE H 1 59 LEU MD2 5.280 2.200 5.280 4.497 4.182 4.752 . 0 0 "[ . 1 . 2]" 1
749 1 50 PHE H 1 62 CYS H 6.000 2.200 6.000 4.809 4.338 5.576 . 0 0 "[ . 1 . 2]" 1
750 1 50 PHE H 1 65 MET ME 5.230 2.200 5.230 4.406 3.639 5.082 . 0 0 "[ . 1 . 2]" 1
751 1 50 PHE H 1 92 VAL HA 5.780 2.200 5.780 4.788 4.540 4.959 . 0 0 "[ . 1 . 2]" 1
752 1 50 PHE H 1 92 VAL MG2 6.000 2.200 6.000 4.616 4.321 5.001 . 0 0 "[ . 1 . 2]" 1
753 1 50 PHE H 1 95 VAL MG2 6.000 2.200 6.000 5.517 5.095 5.910 . 0 0 "[ . 1 . 2]" 1
754 1 50 PHE HA 1 51 SER H 3.420 2.200 3.420 2.273 2.199 2.359 0.001 2 0 "[ . 1 . 2]" 1
755 1 50 PHE HA 1 91 ILE H 5.090 2.200 5.090 4.542 4.254 4.942 . 0 0 "[ . 1 . 2]" 1
756 1 50 PHE HA 1 93 SER H 4.520 2.200 4.520 3.365 2.905 3.584 . 0 0 "[ . 1 . 2]" 1
757 1 50 PHE HB2 1 51 SER H 4.440 2.200 4.440 3.859 3.694 4.028 . 0 0 "[ . 1 . 2]" 1
758 1 50 PHE HB2 1 53 VAL QG 4.510 2.200 4.510 3.343 3.178 3.579 . 0 0 "[ . 1 . 2]" 1
759 1 50 PHE HB2 1 59 LEU HB2 4.810 2.200 4.810 3.218 3.099 3.400 . 0 0 "[ . 1 . 2]" 1
760 1 50 PHE HB2 1 59 LEU HB3 5.310 2.200 5.310 2.046 1.989 2.168 0.211 6 0 "[ . 1 . 2]" 1
761 1 50 PHE HB2 1 59 LEU MD2 5.290 2.200 5.290 3.417 3.117 3.726 . 0 0 "[ . 1 . 2]" 1
762 1 50 PHE HB2 1 60 ASN H 5.120 2.200 5.120 3.899 3.625 4.365 . 0 0 "[ . 1 . 2]" 1
763 1 50 PHE HB2 1 61 GLY H 6.000 2.200 6.000 5.333 5.053 5.811 . 0 0 "[ . 1 . 2]" 1
764 1 50 PHE HB2 1 65 MET ME 4.970 2.200 4.970 4.470 3.537 5.024 0.054 20 0 "[ . 1 . 2]" 1
765 1 50 PHE HB3 1 51 SER H 3.920 2.200 3.920 2.714 2.463 2.908 . 0 0 "[ . 1 . 2]" 1
766 1 50 PHE HB3 1 53 VAL QG 4.420 2.200 4.420 2.057 1.991 2.132 0.209 14 0 "[ . 1 . 2]" 1
767 1 50 PHE QD 1 53 VAL QG 4.070 2.200 4.070 2.421 2.124 2.905 0.076 16 0 "[ . 1 . 2]" 1
768 1 50 PHE QD 1 59 LEU HB2 5.660 2.200 5.660 3.959 3.727 4.062 . 0 0 "[ . 1 . 2]" 1
769 1 50 PHE QD 1 59 LEU MD1 4.830 2.200 4.830 3.011 2.811 3.299 . 0 0 "[ . 1 . 2]" 1
770 1 50 PHE QD 1 92 VAL H 6.000 2.200 6.000 5.037 4.658 5.543 . 0 0 "[ . 1 . 2]" 1
771 1 50 PHE QD 1 59 LEU HA 5.450 2.200 5.450 3.652 3.408 3.981 . 0 0 "[ . 1 . 2]" 1
772 1 50 PHE QD 1 59 LEU HB3 4.980 2.200 4.980 2.775 2.641 2.927 . 0 0 "[ . 1 . 2]" 1
773 1 50 PHE QD 1 59 LEU MD2 4.190 2.200 4.190 2.474 2.220 2.837 . 0 0 "[ . 1 . 2]" 1
774 1 50 PHE QD 1 65 MET ME 3.730 2.200 3.730 2.741 2.198 3.242 0.002 12 0 "[ . 1 . 2]" 1
775 1 50 PHE QD 1 93 SER H 6.000 2.200 6.000 5.030 4.689 5.339 . 0 0 "[ . 1 . 2]" 1
776 1 50 PHE QE 1 53 VAL QG 4.880 2.200 4.880 3.927 3.547 4.477 . 0 0 "[ . 1 . 2]" 1
777 1 50 PHE QE 1 77 ILE MD 5.180 2.200 5.180 3.504 2.339 5.046 . 0 0 "[ . 1 . 2]" 1
778 1 50 PHE HZ 1 59 LEU MD2 4.310 2.200 4.310 3.537 3.246 3.953 . 0 0 "[ . 1 . 2]" 1
779 1 50 PHE HZ 1 65 MET ME 5.130 2.200 5.130 4.403 3.300 5.134 0.004 13 0 "[ . 1 . 2]" 1
780 1 50 PHE HZ 1 77 ILE MD 5.230 2.200 5.230 3.134 2.089 5.294 0.111 4 0 "[ . 1 . 2]" 1
781 1 51 SER H 1 53 VAL HA 5.690 2.200 5.690 5.554 5.315 5.724 0.034 13 0 "[ . 1 . 2]" 1
782 1 51 SER H 1 53 VAL HB 4.890 2.200 4.890 5.015 4.863 5.148 0.258 10 0 "[ . 1 . 2]" 1
783 1 51 SER H 1 53 VAL QG . 2.200 4.120 2.675 2.445 3.147 . 0 0 "[ . 1 . 2]" 1
784 1 51 SER H 1 90 GLY HA2 4.520 2.200 4.520 4.097 3.728 4.371 . 0 0 "[ . 1 . 2]" 1
785 1 51 SER H 1 90 GLY HA3 5.410 2.200 5.410 5.082 4.458 5.445 0.035 2 0 "[ . 1 . 2]" 1
786 1 51 SER H 1 91 ILE H 3.950 2.200 3.950 2.721 2.506 2.988 . 0 0 "[ . 1 . 2]" 1
787 1 51 SER H 1 91 ILE HB 4.650 2.200 4.650 3.541 3.108 3.877 . 0 0 "[ . 1 . 2]" 1
788 1 51 SER H 1 91 ILE HG13 6.000 2.200 6.000 5.303 5.040 6.101 0.101 8 0 "[ . 1 . 2]" 1
789 1 51 SER H 1 91 ILE MG 6.000 2.200 6.000 4.295 4.004 4.612 . 0 0 "[ . 1 . 2]" 1
790 1 51 SER H 1 92 VAL HA 4.960 2.200 4.960 3.418 3.065 3.759 . 0 0 "[ . 1 . 2]" 1
791 1 51 SER HB2 1 52 GLU H 5.270 2.200 5.270 3.500 2.448 3.825 . 0 0 "[ . 1 . 2]" 1
792 1 51 SER HB3 1 52 GLU H 5.270 2.200 5.270 2.785 2.509 3.705 . 0 0 "[ . 1 . 2]" 1
793 1 51 SER QB 1 52 GLU QG 4.350 2.200 4.350 2.404 2.156 2.652 0.044 18 0 "[ . 1 . 2]" 1
794 1 52 GLU H 1 52 GLU HA 3.250 2.200 3.250 2.291 2.265 2.314 . 0 0 "[ . 1 . 2]" 1
795 1 52 GLU H 1 52 GLU HG2 4.760 2.200 4.760 2.616 2.206 3.128 . 0 0 "[ . 1 . 2]" 1
796 1 52 GLU H 1 52 GLU HG3 4.760 2.200 4.760 3.767 2.497 4.258 . 0 0 "[ . 1 . 2]" 1
797 1 52 GLU H 1 52 GLU QG 4.040 2.200 4.040 2.526 2.177 2.758 0.023 15 0 "[ . 1 . 2]" 1
798 1 52 GLU H 1 53 VAL H 4.030 2.200 4.030 2.896 2.791 3.084 . 0 0 "[ . 1 . 2]" 1
799 1 52 GLU H 1 60 ASN HD21 4.900 2.200 4.900 4.614 4.319 4.932 0.032 13 0 "[ . 1 . 2]" 1
800 1 52 GLU H 1 60 ASN HD22 5.170 2.200 5.170 3.965 3.725 4.297 . 0 0 "[ . 1 . 2]" 1
801 1 52 GLU HA 1 52 GLU HG2 4.450 2.200 4.450 2.963 2.414 3.467 . 0 0 "[ . 1 . 2]" 1
802 1 52 GLU HA 1 52 GLU HG3 4.450 2.200 4.450 3.658 3.010 3.870 . 0 0 "[ . 1 . 2]" 1
803 1 52 GLU HB2 1 89 GLY HA3 5.710 2.200 5.710 5.187 4.584 5.594 . 0 0 "[ . 1 . 2]" 1
804 1 52 GLU HB2 1 90 GLY H 5.490 2.200 5.490 3.250 2.817 3.610 . 0 0 "[ . 1 . 2]" 1
805 1 52 GLU HB2 1 90 GLY HA3 6.000 2.200 6.000 4.918 4.147 5.173 . 0 0 "[ . 1 . 2]" 1
806 1 52 GLU HB3 1 91 ILE H 6.000 2.200 6.000 4.652 4.102 5.294 . 0 0 "[ . 1 . 2]" 1
807 1 52 GLU HB3 1 91 ILE MD 4.720 2.200 4.720 3.831 3.293 4.794 0.074 1 0 "[ . 1 . 2]" 1
808 1 52 GLU QG 1 53 VAL H 5.200 2.200 5.200 4.512 4.261 4.662 . 0 0 "[ . 1 . 2]" 1
809 1 52 GLU QG 1 90 GLY H 5.500 2.200 5.500 4.968 4.642 5.322 . 0 0 "[ . 1 . 2]" 1
810 1 52 GLU QG 1 90 GLY HA2 5.300 2.200 5.300 4.882 4.016 5.131 . 0 0 "[ . 1 . 2]" 1
811 1 52 GLU QG 1 91 ILE H 4.150 2.200 4.150 4.155 3.604 4.311 0.161 2 0 "[ . 1 . 2]" 1
812 1 52 GLU QG 1 91 ILE MD 4.890 2.200 4.890 2.582 2.125 4.910 0.075 6 0 "[ . 1 . 2]" 1
813 1 53 VAL H 1 53 VAL HB 3.620 2.200 3.620 2.539 2.338 2.768 . 0 0 "[ . 1 . 2]" 1
814 1 53 VAL H 1 53 VAL QG . 2.200 3.630 2.322 2.116 2.744 0.084 14 0 "[ . 1 . 2]" 1
815 1 53 VAL H 1 54 GLN H 5.030 2.200 5.030 4.524 4.354 4.587 . 0 0 "[ . 1 . 2]" 1
816 1 53 VAL H 1 57 ILE HA 5.580 2.200 5.580 4.607 4.259 5.221 . 0 0 "[ . 1 . 2]" 1
817 1 53 VAL H 1 60 ASN HB3 4.850 2.200 4.850 4.358 4.217 4.475 . 0 0 "[ . 1 . 2]" 1
818 1 53 VAL H 1 60 ASN HD21 4.300 2.200 4.300 3.555 3.474 3.633 . 0 0 "[ . 1 . 2]" 1
819 1 53 VAL H 1 60 ASN HD22 4.010 2.200 4.010 2.138 2.070 2.185 0.130 1 0 "[ . 1 . 2]" 1
820 1 53 VAL H 1 90 GLY HA2 4.810 2.200 4.810 3.234 3.057 3.435 . 0 0 "[ . 1 . 2]" 1
821 1 53 VAL H 1 90 GLY HA3 5.610 2.200 5.610 4.638 4.149 4.934 . 0 0 "[ . 1 . 2]" 1
822 1 53 VAL HA 1 53 VAL QG . 2.200 3.930 2.129 2.079 2.189 0.121 10 0 "[ . 1 . 2]" 1
823 1 53 VAL HA 1 54 GLN H 3.440 2.200 3.440 2.197 2.157 2.228 0.043 6 0 "[ . 1 . 2]" 1
824 1 53 VAL HA 1 54 GLN HB2 4.880 2.200 4.880 4.612 4.442 4.765 . 0 0 "[ . 1 . 2]" 1
825 1 53 VAL HA 1 54 GLN QG 5.840 2.200 5.840 3.882 3.531 5.114 . 0 0 "[ . 1 . 2]" 1
826 1 53 VAL HA 1 90 GLY H 4.550 2.200 4.550 2.949 2.756 3.129 . 0 0 "[ . 1 . 2]" 1
827 1 53 VAL HA 1 90 GLY HA2 4.450 2.200 4.450 2.185 2.044 2.480 0.156 1 0 "[ . 1 . 2]" 1
828 1 53 VAL HA 1 91 ILE H 4.930 2.200 4.930 4.204 4.003 4.436 . 0 0 "[ . 1 . 2]" 1
829 1 53 VAL HB 1 54 GLN H 5.320 2.200 5.320 4.171 4.035 4.296 . 0 0 "[ . 1 . 2]" 1
830 1 53 VAL HB 1 60 ASN H 4.880 2.200 4.880 3.528 3.311 3.976 . 0 0 "[ . 1 . 2]" 1
831 1 53 VAL HB 1 60 ASN HD21 5.060 2.200 5.060 3.949 3.486 4.321 . 0 0 "[ . 1 . 2]" 1
832 1 53 VAL HB 1 60 ASN HD22 4.810 2.200 4.810 2.850 2.408 3.115 . 0 0 "[ . 1 . 2]" 1
833 1 53 VAL QG 1 54 GLN H 3.800 2.200 3.800 2.623 2.339 2.992 . 0 0 "[ . 1 . 2]" 1
834 1 53 VAL QG 1 55 GLY HA3 5.580 2.200 5.580 4.646 4.265 4.999 . 0 0 "[ . 1 . 2]" 1
835 1 53 VAL QG 1 56 MET H 3.770 2.200 3.770 2.650 2.406 2.960 . 0 0 "[ . 1 . 2]" 1
836 1 53 VAL QG 1 56 MET HB3 4.010 2.200 4.010 2.153 1.942 2.700 0.258 13 0 "[ . 1 . 2]" 1
837 1 53 VAL QG 1 56 MET HG2 5.380 2.200 5.380 3.800 3.240 4.344 . 0 0 "[ . 1 . 2]" 1
838 1 53 VAL QG 1 59 LEU MD1 3.700 2.200 3.700 2.280 2.036 2.613 0.164 7 0 "[ . 1 . 2]" 1
839 1 53 VAL QG 1 60 ASN H . 2.200 5.060 3.727 3.489 3.964 . 0 0 "[ . 1 . 2]" 1
840 1 53 VAL QG 1 86 TYR HA 4.660 2.200 4.660 3.571 3.292 3.958 . 0 0 "[ . 1 . 2]" 1
841 1 53 VAL QG 1 86 TYR HB2 5.560 2.200 5.560 4.171 2.890 4.854 . 0 0 "[ . 1 . 2]" 1
842 1 53 VAL QG 1 87 ILE H 4.240 2.200 4.240 3.970 3.621 4.217 . 0 0 "[ . 1 . 2]" 1
843 1 53 VAL QG 1 90 GLY H . 2.200 4.390 3.730 3.534 3.923 . 0 0 "[ . 1 . 2]" 1
844 1 53 VAL QG 1 57 ILE HA 5.780 2.200 5.780 3.741 3.311 4.235 . 0 0 "[ . 1 . 2]" 1
845 1 53 VAL QG 1 86 TYR QD 5.370 2.200 5.370 2.894 2.531 3.663 . 0 0 "[ . 1 . 2]" 1
846 1 53 VAL QG 1 90 GLY HA2 4.010 2.200 4.010 2.096 1.988 2.514 0.212 4 0 "[ . 1 . 2]" 1
847 1 53 VAL QG 1 90 GLY HA3 4.130 2.200 4.130 2.067 1.951 2.194 0.249 14 0 "[ . 1 . 2]" 1
848 1 53 VAL QG 1 91 ILE H 4.030 2.200 4.030 2.666 2.435 2.982 . 0 0 "[ . 1 . 2]" 1
849 1 54 GLN H 1 54 GLN HB2 3.780 2.200 3.780 2.496 2.291 2.626 . 0 0 "[ . 1 . 2]" 1
850 1 54 GLN H 1 54 GLN QG 5.150 2.200 5.150 2.704 2.398 3.740 . 0 0 "[ . 1 . 2]" 1
851 1 54 GLN H 1 86 TYR QD 5.900 2.200 5.900 4.793 4.140 5.379 . 0 0 "[ . 1 . 2]" 1
852 1 54 GLN H 1 87 ILE MG 5.670 2.200 5.670 5.181 4.717 5.718 0.048 2 0 "[ . 1 . 2]" 1
853 1 54 GLN H 1 88 ARG H 4.350 2.200 4.350 3.213 2.937 3.481 . 0 0 "[ . 1 . 2]" 1
854 1 54 GLN H 1 89 GLY HA3 4.470 2.200 4.470 3.639 3.220 4.181 . 0 0 "[ . 1 . 2]" 1
855 1 54 GLN H 1 90 GLY H 4.650 2.200 4.650 4.069 3.807 4.384 . 0 0 "[ . 1 . 2]" 1
856 1 54 GLN HA 1 57 ILE MG 4.390 2.200 4.390 3.010 2.438 3.775 . 0 0 "[ . 1 . 2]" 1
857 1 54 GLN HA 1 87 ILE MG 5.690 2.200 5.690 5.070 4.522 5.665 . 0 0 "[ . 1 . 2]" 1
858 1 54 GLN HB2 1 87 ILE H 5.180 2.200 5.180 3.837 3.498 4.134 . 0 0 "[ . 1 . 2]" 1
859 1 54 GLN HB2 1 88 ARG H 3.820 2.200 3.820 2.195 1.973 2.614 0.227 8 0 "[ . 1 . 2]" 1
860 1 54 GLN HB3 1 55 GLY H 4.560 2.200 4.560 2.993 2.798 3.155 . 0 0 "[ . 1 . 2]" 1
861 1 54 GLN HB3 1 55 GLY HA3 5.500 2.200 5.500 4.367 4.181 4.560 . 0 0 "[ . 1 . 2]" 1
862 1 54 GLN HB3 1 87 ILE H 5.630 2.200 5.630 4.412 4.001 4.825 . 0 0 "[ . 1 . 2]" 1
863 1 54 GLN HB3 1 87 ILE HB 4.680 2.200 4.680 2.582 2.078 3.285 0.122 4 0 "[ . 1 . 2]" 1
864 1 54 GLN HB3 1 87 ILE MD 5.400 2.200 5.400 3.466 2.306 4.983 . 0 0 "[ . 1 . 2]" 1
865 1 54 GLN HB3 1 87 ILE MG 4.370 2.200 4.370 3.112 2.484 3.938 . 0 0 "[ . 1 . 2]" 1
866 1 54 GLN HB3 1 88 ARG H 4.120 2.200 4.120 3.491 3.018 3.895 . 0 0 "[ . 1 . 2]" 1
867 1 54 GLN HG2 1 88 ARG H 5.820 2.200 5.820 4.865 3.982 5.431 . 0 0 "[ . 1 . 2]" 1
868 1 54 GLN HG3 1 88 ARG H 5.820 2.200 5.820 4.538 4.178 5.449 . 0 0 "[ . 1 . 2]" 1
869 1 54 GLN QG 1 88 ARG H 5.070 2.200 5.070 4.132 3.628 4.598 . 0 0 "[ . 1 . 2]" 1
870 1 55 GLY H 1 56 MET H 5.270 2.200 5.270 3.533 3.421 3.709 . 0 0 "[ . 1 . 2]" 1
871 1 55 GLY H 1 57 ILE MG 4.390 2.200 4.390 2.541 2.163 2.938 0.037 15 0 "[ . 1 . 2]" 1
872 1 55 GLY H 1 87 ILE HB 4.750 2.200 4.750 3.744 3.319 4.097 . 0 0 "[ . 1 . 2]" 1
873 1 55 GLY H 1 87 ILE MD 5.390 2.200 5.390 3.557 2.447 5.251 . 0 0 "[ . 1 . 2]" 1
874 1 55 GLY HA2 1 87 ILE HG12 5.560 2.200 5.560 4.156 2.885 4.898 . 0 0 "[ . 1 . 2]" 1
875 1 55 GLY HA2 1 87 ILE HG13 5.560 2.200 5.560 3.168 2.711 3.597 . 0 0 "[ . 1 . 2]" 1
876 1 55 GLY HA2 1 87 ILE MD 4.840 2.200 4.840 2.920 2.155 4.367 0.045 6 0 "[ . 1 . 2]" 1
877 1 55 GLY HA2 1 87 ILE QG 4.820 2.200 4.820 3.046 2.560 3.510 . 0 0 "[ . 1 . 2]" 1
878 1 55 GLY HA2 1 87 ILE MG 5.330 2.200 5.330 4.890 4.577 5.297 . 0 0 "[ . 1 . 2]" 1
879 1 55 GLY HA3 1 56 MET HB2 5.950 2.200 5.950 4.445 4.286 4.746 . 0 0 "[ . 1 . 2]" 1
880 1 55 GLY HA3 1 57 ILE H 6.000 2.200 6.000 4.445 4.204 4.707 . 0 0 "[ . 1 . 2]" 1
881 1 55 GLY HA3 1 57 ILE MG 5.190 2.200 5.190 4.194 4.020 4.462 . 0 0 "[ . 1 . 2]" 1
882 1 55 GLY HA3 1 87 ILE H 4.490 2.200 4.490 2.752 2.245 3.200 . 0 0 "[ . 1 . 2]" 1
883 1 55 GLY HA3 1 87 ILE HB 4.160 2.200 4.160 3.046 2.592 3.474 . 0 0 "[ . 1 . 2]" 1
884 1 55 GLY HA3 1 87 ILE MD 4.140 2.200 4.140 2.879 2.206 3.888 . 0 0 "[ . 1 . 2]" 1
885 1 55 GLY HA3 1 87 ILE QG 4.660 2.200 4.660 2.092 1.983 2.207 0.217 8 0 "[ . 1 . 2]" 1
886 1 55 GLY HA3 1 88 ARG H 5.240 2.200 5.240 4.479 3.990 4.911 . 0 0 "[ . 1 . 2]" 1
887 1 56 MET H 1 56 MET HB2 3.860 2.200 3.860 2.397 2.227 2.699 . 0 0 "[ . 1 . 2]" 1
888 1 56 MET H 1 56 MET HG3 5.140 2.200 5.140 4.036 2.892 4.541 . 0 0 "[ . 1 . 2]" 1
889 1 56 MET H 1 56 MET ME 5.540 2.200 5.540 4.347 3.990 5.044 . 0 0 "[ . 1 . 2]" 1
890 1 56 MET H 1 57 ILE H 4.900 2.200 4.900 3.453 3.175 3.657 . 0 0 "[ . 1 . 2]" 1
891 1 56 MET H 1 59 LEU MD1 5.410 2.200 5.410 4.939 4.578 5.168 . 0 0 "[ . 1 . 2]" 1
892 1 56 MET H 1 86 TYR H 5.390 2.200 5.390 4.976 4.515 5.354 . 0 0 "[ . 1 . 2]" 1
893 1 56 MET H 1 86 TYR HA 3.870 2.200 3.870 2.640 2.120 3.202 0.080 9 0 "[ . 1 . 2]" 1
894 1 56 MET H 1 86 TYR HB2 5.510 2.200 5.510 4.702 3.318 5.428 . 0 0 "[ . 1 . 2]" 1
895 1 56 MET H 1 86 TYR QD 5.690 2.200 5.690 4.432 3.776 5.159 . 0 0 "[ . 1 . 2]" 1
896 1 56 MET H 1 87 ILE H 4.240 2.200 4.240 2.974 2.661 3.282 . 0 0 "[ . 1 . 2]" 1
897 1 56 MET H 1 87 ILE HA 6.000 2.200 6.000 5.713 5.435 6.046 0.046 11 0 "[ . 1 . 2]" 1
898 1 56 MET H 1 87 ILE QG 4.740 2.200 4.740 4.144 3.929 4.358 . 0 0 "[ . 1 . 2]" 1
899 1 56 MET H 1 88 ARG H 5.390 2.200 5.390 4.548 4.152 4.865 . 0 0 "[ . 1 . 2]" 1
900 1 56 MET HA 1 56 MET ME 4.840 2.200 4.840 3.813 3.536 4.463 . 0 0 "[ . 1 . 2]" 1
901 1 56 MET HA 1 57 ILE H 3.720 2.200 3.720 2.441 2.249 2.576 . 0 0 "[ . 1 . 2]" 1
902 1 56 MET HA 1 58 GLN H 4.340 2.200 4.340 3.173 3.007 3.309 . 0 0 "[ . 1 . 2]" 1
903 1 56 MET HB2 1 84 SER H 6.000 2.200 6.000 5.061 4.370 5.714 . 0 0 "[ . 1 . 2]" 1
904 1 56 MET HB2 1 86 TYR H 4.430 2.200 4.430 4.039 2.948 4.747 0.317 7 0 "[ . 1 . 2]" 1
905 1 56 MET HB2 1 86 TYR HB2 4.960 2.200 4.960 3.319 2.729 4.022 . 0 0 "[ . 1 . 2]" 1
906 1 56 MET HB2 1 87 ILE H 5.760 2.200 5.760 4.144 3.778 4.642 . 0 0 "[ . 1 . 2]" 1
907 1 56 MET HB3 1 57 ILE H 5.000 2.200 5.000 4.309 4.229 4.382 . 0 0 "[ . 1 . 2]" 1
908 1 56 MET HB3 1 57 ILE MG 5.660 2.200 5.660 5.273 5.012 5.628 . 0 0 "[ . 1 . 2]" 1
909 1 56 MET HB3 1 59 LEU H 5.150 2.200 5.150 3.929 2.974 4.589 . 0 0 "[ . 1 . 2]" 1
910 1 56 MET HB3 1 59 LEU MD1 5.080 2.200 5.080 2.333 2.127 2.884 0.073 2 0 "[ . 1 . 2]" 1
911 1 56 MET HB3 1 84 SER H 6.000 2.200 6.000 5.316 4.378 5.835 . 0 0 "[ . 1 . 2]" 1
912 1 56 MET HG2 1 57 ILE H 5.560 2.200 5.560 4.650 4.211 5.188 . 0 0 "[ . 1 . 2]" 1
913 1 56 MET HG2 1 58 GLN H 4.640 2.200 4.640 4.134 3.377 4.748 0.108 2 0 "[ . 1 . 2]" 1
914 1 56 MET HG2 1 59 LEU H 4.750 2.200 4.750 3.422 2.573 4.812 0.062 19 0 "[ . 1 . 2]" 1
915 1 56 MET HG2 1 59 LEU HG 5.420 2.200 5.420 2.638 2.160 4.338 0.040 20 0 "[ . 1 . 2]" 1
916 1 56 MET HG2 1 59 LEU MD1 5.230 2.200 5.230 2.627 2.153 3.870 0.047 4 0 "[ . 1 . 2]" 1
917 1 56 MET HG2 1 83 PHE HD2 5.790 2.200 5.790 3.160 2.215 4.028 . 0 0 "[ . 1 . 2]" 1
918 1 56 MET HG2 1 84 SER H 4.900 2.200 4.900 3.463 2.375 4.047 . 0 0 "[ . 1 . 2]" 1
919 1 56 MET ME 1 56 MET HG3 3.670 2.200 3.670 2.316 2.096 3.326 0.104 4 0 "[ . 1 . 2]" 1
920 1 56 MET HG3 1 57 ILE H 5.970 2.200 5.970 4.618 3.960 4.969 . 0 0 "[ . 1 . 2]" 1
921 1 56 MET HG3 1 84 SER H 5.140 2.200 5.140 2.863 2.257 4.148 . 0 0 "[ . 1 . 2]" 1
922 1 56 MET HG3 1 85 ASP H 5.210 2.200 5.210 3.715 2.711 4.425 . 0 0 "[ . 1 . 2]" 1
923 1 56 MET HG3 1 85 ASP HA 4.740 2.200 4.740 4.051 3.265 4.728 . 0 0 "[ . 1 . 2]" 1
924 1 56 MET ME 1 80 THR H 5.640 2.200 5.640 5.058 4.747 5.403 . 0 0 "[ . 1 . 2]" 1
925 1 56 MET ME 1 80 THR HB 4.070 2.200 4.070 2.123 1.968 2.250 0.232 7 0 "[ . 1 . 2]" 1
926 1 56 MET ME 1 80 THR MG 4.550 2.200 4.550 2.817 2.148 3.282 0.052 2 0 "[ . 1 . 2]" 1
927 1 56 MET ME 1 81 SER H 5.840 2.200 5.840 4.994 4.324 5.455 . 0 0 "[ . 1 . 2]" 1
928 1 56 MET ME 1 83 PHE H 4.930 2.200 4.930 4.522 4.005 4.964 0.034 20 0 "[ . 1 . 2]" 1
929 1 56 MET ME 1 83 PHE HB2 3.970 2.200 3.970 3.046 2.522 3.524 . 0 0 "[ . 1 . 2]" 1
930 1 56 MET ME 1 83 PHE HD2 4.380 2.200 4.380 3.108 2.198 3.512 0.002 6 0 "[ . 1 . 2]" 1
931 1 56 MET ME 1 84 SER H 4.990 2.200 4.990 3.028 2.308 3.714 . 0 0 "[ . 1 . 2]" 1
932 1 56 MET ME 1 85 ASP H 4.810 2.200 4.810 3.877 2.973 4.779 . 0 0 "[ . 1 . 2]" 1
933 1 56 MET ME 1 85 ASP HA 4.700 2.200 4.700 2.615 2.172 3.211 0.028 9 0 "[ . 1 . 2]" 1
934 1 56 MET ME 1 86 TYR H 3.870 2.200 3.870 2.413 2.045 3.096 0.155 7 0 "[ . 1 . 2]" 1
935 1 56 MET ME 1 86 TYR HB2 4.870 2.200 4.870 2.344 2.112 3.772 0.088 13 0 "[ . 1 . 2]" 1
936 1 56 MET ME 1 86 TYR HB3 5.010 2.200 5.010 3.028 2.112 3.512 0.088 2 0 "[ . 1 . 2]" 1
937 1 56 MET ME 1 87 ILE H 6.000 2.200 6.000 4.971 4.352 5.523 . 0 0 "[ . 1 . 2]" 1
938 1 57 ILE H 1 57 ILE HB 4.360 2.200 4.360 3.646 3.617 3.723 . 0 0 "[ . 1 . 2]" 1
939 1 57 ILE H 1 57 ILE HG12 4.510 2.200 4.510 2.159 2.117 2.185 0.083 10 0 "[ . 1 . 2]" 1
940 1 57 ILE H 1 57 ILE HG13 4.510 2.200 4.510 3.129 3.024 3.226 . 0 0 "[ . 1 . 2]" 1
941 1 57 ILE H 1 57 ILE MD 4.230 2.200 4.230 3.722 3.672 3.797 . 0 0 "[ . 1 . 2]" 1
942 1 57 ILE H 1 57 ILE QG 4.020 2.200 4.020 2.123 2.086 2.149 0.114 10 0 "[ . 1 . 2]" 1
943 1 57 ILE H 1 57 ILE MG 3.450 2.200 3.450 2.218 2.139 2.347 0.061 11 0 "[ . 1 . 2]" 1
944 1 57 ILE H 1 58 GLN H 3.740 2.200 3.740 2.527 2.357 2.626 . 0 0 "[ . 1 . 2]" 1
945 1 57 ILE H 1 58 GLN HB3 6.000 2.200 6.000 5.322 4.825 6.056 0.056 13 0 "[ . 1 . 2]" 1
946 1 57 ILE H 1 59 LEU H 5.060 2.200 5.060 4.335 4.195 4.532 . 0 0 "[ . 1 . 2]" 1
947 1 57 ILE H 1 59 LEU MD1 5.890 2.200 5.890 5.641 5.430 5.796 . 0 0 "[ . 1 . 2]" 1
948 1 57 ILE H 1 60 ASN HD21 5.940 2.200 5.940 5.075 4.845 5.466 . 0 0 "[ . 1 . 2]" 1
949 1 57 ILE H 1 83 PHE HB3 6.000 2.200 6.000 5.328 4.907 5.744 . 0 0 "[ . 1 . 2]" 1
950 1 57 ILE H 1 84 SER H 6.000 2.200 6.000 6.128 5.788 6.418 0.418 9 0 "[ . 1 . 2]" 1
951 1 57 ILE H 1 84 SER QB 4.330 2.200 4.330 3.501 2.857 4.369 0.039 15 0 "[ . 1 . 2]" 1
952 1 57 ILE H 1 85 ASP H 5.610 2.200 5.610 4.881 4.140 5.631 0.021 3 0 "[ . 1 . 2]" 1
953 1 57 ILE HA 1 57 ILE MD 4.410 2.200 4.410 4.114 4.095 4.133 . 0 0 "[ . 1 . 2]" 1
954 1 57 ILE HA 1 57 ILE MG 3.710 2.200 3.710 2.335 2.281 2.427 . 0 0 "[ . 1 . 2]" 1
955 1 57 ILE HA 1 59 LEU H 4.610 2.200 4.610 3.834 3.654 4.097 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE HA 1 60 ASN H 4.030 2.200 4.030 2.893 2.613 3.109 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE HA 1 60 ASN HB2 4.990 2.200 4.990 2.839 2.567 3.089 . 0 0 "[ . 1 . 2]" 1
958 1 57 ILE HA 1 60 ASN HD21 4.440 2.200 4.440 2.496 2.269 2.710 . 0 0 "[ . 1 . 2]" 1
959 1 57 ILE HA 1 60 ASN HD22 4.390 2.200 4.390 3.041 2.762 3.569 . 0 0 "[ . 1 . 2]" 1
960 1 57 ILE HB 1 57 ILE MD 3.760 2.200 3.760 2.296 2.182 2.361 0.018 2 0 "[ . 1 . 2]" 1
961 1 57 ILE HB 1 58 GLN H 5.030 2.200 5.030 4.044 3.969 4.150 . 0 0 "[ . 1 . 2]" 1
962 1 57 ILE HB 1 59 LEU H 5.960 2.200 5.960 5.399 5.230 5.571 . 0 0 "[ . 1 . 2]" 1
963 1 57 ILE HB 1 60 ASN H 5.180 2.200 5.180 4.473 4.273 4.850 . 0 0 "[ . 1 . 2]" 1
964 1 57 ILE HB 1 60 ASN HD21 4.760 2.200 4.760 3.046 2.683 3.834 . 0 0 "[ . 1 . 2]" 1
965 1 57 ILE HB 1 60 ASN HD22 5.290 2.200 5.290 4.424 3.960 5.281 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE MD 1 58 GLN H 4.980 2.200 4.980 4.169 4.036 4.326 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE MD 1 58 GLN HA 4.440 2.200 4.440 4.509 4.380 4.574 0.134 17 0 "[ . 1 . 2]" 1
968 1 57 ILE MD 1 58 GLN QE 5.840 2.200 5.840 5.000 2.804 5.981 0.141 18 0 "[ . 1 . 2]" 1
969 1 57 ILE MD 1 60 ASN HD21 6.000 2.200 6.000 4.710 4.271 5.398 . 0 0 "[ . 1 . 2]" 1
970 1 57 ILE MG 1 60 ASN HD21 4.430 2.200 4.430 2.734 2.187 3.376 0.013 9 0 "[ . 1 . 2]" 1
971 1 57 ILE MG 1 60 ASN HD22 4.400 2.200 4.400 3.230 2.733 3.875 . 0 0 "[ . 1 . 2]" 1
972 1 58 GLN H 1 58 GLN HB2 3.710 2.200 3.710 2.391 2.143 2.664 0.057 1 0 "[ . 1 . 2]" 1
973 1 58 GLN H 1 58 GLN HB3 3.810 2.200 3.810 2.949 2.554 3.565 . 0 0 "[ . 1 . 2]" 1
974 1 58 GLN H 1 58 GLN HG2 5.660 2.200 5.660 4.440 3.651 4.710 . 0 0 "[ . 1 . 2]" 1
975 1 58 GLN H 1 58 GLN HG3 5.660 2.200 5.660 4.322 3.245 4.541 . 0 0 "[ . 1 . 2]" 1
976 1 58 GLN H 1 58 GLN QG 4.870 2.200 4.870 3.894 3.058 4.098 . 0 0 "[ . 1 . 2]" 1
977 1 58 GLN H 1 59 LEU H 3.750 2.200 3.750 2.649 2.559 2.718 . 0 0 "[ . 1 . 2]" 1
978 1 58 GLN H 1 59 LEU MD1 5.160 2.200 5.160 5.200 5.157 5.251 0.091 12 0 "[ . 1 . 2]" 1
979 1 58 GLN H 1 60 ASN H 5.130 2.200 5.130 4.056 3.894 4.133 . 0 0 "[ . 1 . 2]" 1
980 1 58 GLN H 1 84 SER H 5.450 2.200 5.450 5.322 4.918 5.563 0.113 4 0 "[ . 1 . 2]" 1
981 1 58 GLN HA 1 58 GLN HG2 4.310 2.200 4.310 3.543 2.198 3.742 0.002 17 0 "[ . 1 . 2]" 1
982 1 58 GLN HA 1 58 GLN HG3 4.310 2.200 4.310 2.765 2.254 3.508 . 0 0 "[ . 1 . 2]" 1
983 1 58 GLN HA 1 58 GLN QE 5.220 2.200 5.220 3.313 2.349 4.143 . 0 0 "[ . 1 . 2]" 1
984 1 58 GLN HA 1 58 GLN QG 3.790 2.200 3.790 2.617 2.176 2.995 0.024 17 0 "[ . 1 . 2]" 1
985 1 58 GLN HB2 1 59 LEU H 4.430 2.200 4.430 3.553 2.538 4.144 . 0 0 "[ . 1 . 2]" 1
986 1 58 GLN HB2 1 83 PHE HD1 5.360 2.200 5.360 4.484 3.126 5.203 . 0 0 "[ . 1 . 2]" 1
987 1 58 GLN HB3 1 59 LEU H 4.020 2.200 4.020 2.901 2.543 3.551 . 0 0 "[ . 1 . 2]" 1
988 1 58 GLN HB3 1 83 PHE H 6.000 2.200 6.000 4.894 4.684 5.345 . 0 0 "[ . 1 . 2]" 1
989 1 58 GLN HB3 1 83 PHE HD1 4.930 2.200 4.930 3.266 2.580 3.818 . 0 0 "[ . 1 . 2]" 1
990 1 58 GLN HG2 1 83 PHE HD1 4.960 2.200 4.960 3.656 3.031 4.985 0.025 17 0 "[ . 1 . 2]" 1
991 1 58 GLN HG3 1 83 PHE HD1 4.960 2.200 4.960 3.979 2.809 5.084 0.124 13 0 "[ . 1 . 2]" 1
992 1 59 LEU H 1 59 LEU HB2 3.810 2.200 3.810 2.466 2.399 2.511 . 0 0 "[ . 1 . 2]" 1
993 1 59 LEU H 1 59 LEU HB3 4.250 2.200 4.250 3.573 3.556 3.610 . 0 0 "[ . 1 . 2]" 1
994 1 59 LEU H 1 59 LEU HG 4.090 2.200 4.090 2.332 2.252 2.452 . 0 0 "[ . 1 . 2]" 1
995 1 59 LEU H 1 59 LEU MD1 4.200 2.200 4.200 3.520 3.480 3.612 . 0 0 "[ . 1 . 2]" 1
996 1 59 LEU H 1 60 ASN HB2 5.650 2.200 5.650 4.756 4.653 4.809 . 0 0 "[ . 1 . 2]" 1
997 1 59 LEU HA 1 59 LEU MD1 4.780 2.200 4.780 3.804 3.787 3.819 . 0 0 "[ . 1 . 2]" 1
998 1 59 LEU HA 1 59 LEU MD2 3.890 2.200 3.890 2.148 2.098 2.188 0.102 13 0 "[ . 1 . 2]" 1
999 1 59 LEU HA 1 65 MET ME 4.740 2.200 4.740 3.306 2.782 3.788 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LEU HB2 1 59 LEU MD1 4.240 2.200 4.240 2.297 2.213 2.376 . 0 0 "[ . 1 . 2]" 1
1001 1 59 LEU HB2 1 60 ASN H 4.240 2.200 4.240 2.635 2.546 2.711 . 0 0 "[ . 1 . 2]" 1
1002 1 59 LEU HB2 1 65 MET ME 5.320 2.200 5.320 5.234 4.854 5.463 0.143 3 0 "[ . 1 . 2]" 1
1003 1 59 LEU HB3 1 59 LEU MD2 4.660 2.200 4.660 2.171 2.128 2.233 0.072 6 0 "[ . 1 . 2]" 1
1004 1 59 LEU HB3 1 60 ASN H 4.570 2.200 4.570 3.587 3.531 3.636 . 0 0 "[ . 1 . 2]" 1
1005 1 59 LEU HB3 1 61 GLY H 5.980 2.200 5.980 5.467 5.414 5.532 . 0 0 "[ . 1 . 2]" 1
1006 1 59 LEU MD1 1 60 ASN H 4.780 2.200 4.780 4.498 4.437 4.584 . 0 0 "[ . 1 . 2]" 1
1007 1 59 LEU MD1 1 65 MET ME 5.270 2.200 5.270 4.205 4.026 4.371 . 0 0 "[ . 1 . 2]" 1
1008 1 59 LEU MD1 1 77 ILE MD 4.460 2.200 4.460 3.514 2.899 4.521 0.061 6 0 "[ . 1 . 2]" 1
1009 1 59 LEU MD1 1 80 THR MG 4.830 2.200 4.830 3.348 2.837 3.690 . 0 0 "[ . 1 . 2]" 1
1010 1 59 LEU MD2 1 60 ASN H 5.340 2.200 5.340 4.669 4.634 4.695 . 0 0 "[ . 1 . 2]" 1
1011 1 59 LEU MD2 1 65 MET ME 3.520 2.200 3.520 2.128 2.043 2.322 0.157 16 0 "[ . 1 . 2]" 1
1012 1 59 LEU MD2 1 77 ILE MD 3.650 2.200 3.650 2.959 2.262 3.784 0.134 14 0 "[ . 1 . 2]" 1
1013 1 59 LEU MD2 1 78 CYS H 6.000 2.200 6.000 6.070 5.937 6.179 0.179 6 0 "[ . 1 . 2]" 1
1014 1 59 LEU MD2 1 80 THR MG 4.890 2.200 4.890 4.024 3.448 4.535 . 0 0 "[ . 1 . 2]" 1
1015 1 59 LEU MD2 1 83 PHE HD2 4.630 2.200 4.630 3.139 2.964 3.498 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ASN H 1 60 ASN HB2 3.680 2.200 3.680 2.509 2.423 2.577 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ASN H 1 60 ASN HB3 4.170 2.200 4.170 3.605 3.588 3.633 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ASN H 1 60 ASN HD21 4.510 2.200 4.510 3.939 3.841 4.031 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ASN H 1 60 ASN HD22 4.580 2.200 4.580 4.293 4.197 4.452 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ASN H 1 61 GLY H 4.310 2.200 4.310 2.617 2.556 2.685 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASN H 1 62 CYS H 5.240 2.200 5.240 3.884 3.708 4.015 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ASN HA 1 61 GLY H 4.040 2.200 4.040 3.518 3.507 3.535 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASN HB2 1 61 GLY H 4.400 2.200 4.400 2.572 2.524 2.653 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASN HB2 1 62 CYS H 5.820 2.200 5.820 4.789 4.663 4.886 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ASN HB3 1 61 GLY H 4.610 2.200 4.610 3.532 3.416 3.597 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASN HD21 1 61 GLY H 5.370 2.200 5.370 4.892 4.764 5.010 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLY H 1 62 CYS H 3.790 2.200 3.790 2.583 2.444 2.722 . 0 0 "[ . 1 . 2]" 1
1028 1 61 GLY H 1 62 CYS HB2 5.180 2.200 5.180 4.353 4.179 4.613 . 0 0 "[ . 1 . 2]" 1
1029 1 61 GLY QA 1 62 CYS HA 5.840 2.200 5.840 4.048 4.017 4.078 . 0 0 "[ . 1 . 2]" 1
1030 1 62 CYS H 1 62 CYS HB2 4.010 2.200 4.010 2.394 2.190 3.144 0.010 8 0 "[ . 1 . 2]" 1
1031 1 62 CYS H 1 62 CYS HB3 3.880 2.200 3.880 3.284 2.382 3.603 . 0 0 "[ . 1 . 2]" 1
1032 1 62 CYS H 1 63 GLN H 5.140 2.200 5.140 4.557 4.504 4.593 . 0 0 "[ . 1 . 2]" 1
1033 1 62 CYS H 1 65 MET ME 5.670 2.200 5.670 4.820 4.311 5.526 . 0 0 "[ . 1 . 2]" 1
1034 1 62 CYS HA 1 63 GLN H 3.630 2.200 3.630 2.232 2.181 2.336 0.019 9 0 "[ . 1 . 2]" 1
1035 1 62 CYS HB2 1 63 GLN H 4.670 2.200 4.670 4.021 3.818 4.194 . 0 0 "[ . 1 . 2]" 1
1036 1 62 CYS HB3 1 63 GLN H 4.500 2.200 4.500 3.033 2.567 4.112 . 0 0 "[ . 1 . 2]" 1
1037 1 62 CYS HB3 1 65 MET ME 4.250 2.200 4.250 2.558 2.166 3.217 0.034 18 0 "[ . 1 . 2]" 1
1038 1 63 GLN H 1 63 GLN HB2 4.300 2.200 4.300 2.776 2.219 3.615 . 0 0 "[ . 1 . 2]" 1
1039 1 63 GLN H 1 63 GLN HB3 4.300 2.200 4.300 3.429 2.458 3.671 . 0 0 "[ . 1 . 2]" 1
1040 1 63 GLN H 1 63 GLN HG2 5.030 2.200 5.030 2.982 2.114 3.758 0.086 8 0 "[ . 1 . 2]" 1
1041 1 63 GLN H 1 63 GLN HG3 5.030 2.200 5.030 2.825 2.160 3.994 0.040 15 0 "[ . 1 . 2]" 1
1042 1 63 GLN H 1 63 GLN QB 3.670 2.200 3.670 2.543 2.197 3.005 0.003 1 0 "[ . 1 . 2]" 1
1043 1 63 GLN H 1 63 GLN QG 4.310 2.200 4.310 2.309 2.092 3.193 0.108 8 0 "[ . 1 . 2]" 1
1044 1 63 GLN H 1 64 PRO HD2 5.620 2.200 5.620 4.982 4.796 5.282 . 0 0 "[ . 1 . 2]" 1
1045 1 63 GLN H 1 64 PRO HD3 5.620 2.200 5.620 5.104 4.822 5.359 . 0 0 "[ . 1 . 2]" 1
1046 1 63 GLN H 1 64 PRO QD 4.990 2.200 4.990 4.470 4.437 4.492 . 0 0 "[ . 1 . 2]" 1
1047 1 63 GLN HA 1 63 GLN QG 4.210 2.200 4.210 2.776 2.214 3.529 . 0 0 "[ . 1 . 2]" 1
1048 1 63 GLN HA 1 64 PRO HD2 3.940 2.200 3.940 2.744 2.400 3.246 . 0 0 "[ . 1 . 2]" 1
1049 1 63 GLN HA 1 64 PRO HD3 3.940 2.200 3.940 2.422 2.128 2.721 0.072 12 0 "[ . 1 . 2]" 1
1050 1 63 GLN HA 1 64 PRO QD 3.490 2.200 3.490 2.213 2.089 2.425 0.111 12 0 "[ . 1 . 2]" 1
1051 1 63 GLN HG2 1 64 PRO HD2 6.000 2.200 6.000 4.325 2.859 5.175 . 0 0 "[ . 1 . 2]" 1
1052 1 63 GLN HG2 1 64 PRO HD3 6.000 2.200 6.000 4.958 3.839 6.025 0.025 17 0 "[ . 1 . 2]" 1
1053 1 63 GLN HG3 1 64 PRO HD2 6.000 2.200 6.000 4.473 3.516 5.239 . 0 0 "[ . 1 . 2]" 1
1054 1 63 GLN HG3 1 64 PRO HD3 6.000 2.200 6.000 5.142 4.341 5.903 . 0 0 "[ . 1 . 2]" 1
1055 1 63 GLN QB 1 64 PRO QD 4.130 2.200 4.130 2.125 2.028 2.232 0.172 8 0 "[ . 1 . 2]" 1
1056 1 63 GLN QG 1 64 PRO QD 4.550 2.200 4.550 3.569 2.737 4.009 . 0 0 "[ . 1 . 2]" 1
1057 1 64 PRO HA 1 65 MET H 3.450 2.200 3.450 2.267 2.213 2.309 . 0 0 "[ . 1 . 2]" 1
1058 1 64 PRO HA 1 65 MET ME 4.680 2.200 4.680 3.692 2.902 4.090 . 0 0 "[ . 1 . 2]" 1
1059 1 64 PRO HA 1 95 VAL MG2 4.820 2.200 4.820 3.847 3.247 4.486 . 0 0 "[ . 1 . 2]" 1
1060 1 64 PRO HB2 1 65 MET H 4.020 2.200 4.020 3.342 3.094 3.677 . 0 0 "[ . 1 . 2]" 1
1061 1 64 PRO HB2 1 95 VAL MG2 4.640 2.200 4.640 3.204 2.156 4.001 0.044 20 0 "[ . 1 . 2]" 1
1062 1 64 PRO HB3 1 95 VAL MG2 4.400 2.200 4.400 2.279 1.955 2.873 0.245 3 0 "[ . 1 . 2]" 1
1063 1 64 PRO QD 1 65 MET ME 5.530 2.200 5.530 5.369 4.940 5.609 0.079 2 0 "[ . 1 . 2]" 1
1064 1 64 PRO QG 1 65 MET H 5.300 2.200 5.300 4.577 4.429 4.730 . 0 0 "[ . 1 . 2]" 1
1065 1 64 PRO QG 1 95 VAL HB 3.840 2.200 3.840 3.610 2.688 4.015 0.175 3 0 "[ . 1 . 2]" 1
1066 1 64 PRO QG 1 95 VAL MG1 3.890 2.200 3.890 2.605 2.099 3.217 0.101 15 0 "[ . 1 . 2]" 1
1067 1 64 PRO QG 1 95 VAL MG2 3.820 2.200 3.820 2.829 2.092 3.608 0.108 19 0 "[ . 1 . 2]" 1
1068 1 65 MET H 1 65 MET HB3 4.010 2.200 4.010 3.144 2.918 3.361 . 0 0 "[ . 1 . 2]" 1
1069 1 65 MET H 1 65 MET HG2 4.000 2.200 4.000 2.391 2.057 2.866 0.143 13 0 "[ . 1 . 2]" 1
1070 1 65 MET H 1 65 MET HG3 4.470 2.200 4.470 3.491 2.707 3.851 . 0 0 "[ . 1 . 2]" 1
1071 1 65 MET H 1 65 MET ME 4.500 2.200 4.500 3.311 2.466 3.746 . 0 0 "[ . 1 . 2]" 1
1072 1 65 MET H 1 66 GLU H 5.030 2.200 5.030 4.485 4.445 4.522 . 0 0 "[ . 1 . 2]" 1
1073 1 65 MET H 1 66 GLU HA 5.670 2.200 5.670 5.155 5.040 5.280 . 0 0 "[ . 1 . 2]" 1
1074 1 65 MET H 1 95 VAL MG2 5.210 2.200 5.210 4.754 3.933 5.338 0.128 16 0 "[ . 1 . 2]" 1
1075 1 65 MET HA 1 65 MET ME 4.850 2.200 4.850 4.108 3.735 4.274 . 0 0 "[ . 1 . 2]" 1
1076 1 65 MET HA 1 66 GLU H 3.240 2.200 3.240 2.280 2.191 2.401 0.009 9 0 "[ . 1 . 2]" 1
1077 1 65 MET HA 1 66 GLU HA 5.100 2.200 5.100 4.322 4.282 4.376 . 0 0 "[ . 1 . 2]" 1
1078 1 65 MET HA 1 66 GLU HB2 5.380 2.200 5.380 4.509 4.264 4.834 . 0 0 "[ . 1 . 2]" 1
1079 1 65 MET HA 1 66 GLU HB3 5.920 2.200 5.920 4.780 4.390 4.937 . 0 0 "[ . 1 . 2]" 1
1080 1 65 MET HB2 1 66 GLU H 3.890 2.200 3.890 2.599 2.389 2.758 . 0 0 "[ . 1 . 2]" 1
1081 1 65 MET HB3 1 65 MET ME 3.680 2.200 3.680 2.170 2.111 2.240 0.089 17 0 "[ . 1 . 2]" 1
1082 1 65 MET ME 1 65 MET HG2 3.870 2.200 3.870 2.586 2.199 3.362 0.001 15 0 "[ . 1 . 2]" 1
1083 1 65 MET HG2 1 66 GLU H 5.020 2.200 5.020 4.391 3.830 5.022 0.002 13 0 "[ . 1 . 2]" 1
1084 1 65 MET HG3 1 66 GLU H 4.890 2.200 4.890 3.995 2.928 4.906 0.016 16 0 "[ . 1 . 2]" 1
1085 1 65 MET ME 1 77 ILE MD 4.690 2.200 4.690 3.726 2.531 4.461 . 0 0 "[ . 1 . 2]" 1
1086 1 65 MET ME 1 77 ILE MG 4.890 2.200 4.890 4.248 3.782 4.934 0.044 8 0 "[ . 1 . 2]" 1
1087 1 66 GLU H 1 66 GLU HB2 3.550 2.200 3.550 2.594 2.467 2.933 . 0 0 "[ . 1 . 2]" 1
1088 1 66 GLU H 1 66 GLU HB3 3.600 2.200 3.600 2.510 2.218 2.592 . 0 0 "[ . 1 . 2]" 1
1089 1 66 GLU H 1 66 GLU HG2 5.250 2.200 5.250 4.425 4.335 4.456 . 0 0 "[ . 1 . 2]" 1
1090 1 66 GLU H 1 66 GLU HG3 5.250 2.200 5.250 4.458 4.368 4.699 . 0 0 "[ . 1 . 2]" 1
1091 1 66 GLU H 1 66 GLU QG 4.660 2.200 4.660 3.955 3.916 4.006 . 0 0 "[ . 1 . 2]" 1
1092 1 66 GLU H 1 67 ILE H 5.270 2.200 5.270 4.564 4.514 4.595 . 0 0 "[ . 1 . 2]" 1
1093 1 66 GLU H 1 67 ILE MG 5.220 2.200 5.220 4.165 3.937 4.296 . 0 0 "[ . 1 . 2]" 1
1094 1 66 GLU HA 1 66 GLU HG2 4.680 2.200 4.680 2.950 2.589 3.104 . 0 0 "[ . 1 . 2]" 1
1095 1 66 GLU HA 1 66 GLU HG3 4.680 2.200 4.680 2.564 2.415 3.398 . 0 0 "[ . 1 . 2]" 1
1096 1 66 GLU HA 1 66 GLU QG 4.060 2.200 4.060 2.391 2.320 2.700 . 0 0 "[ . 1 . 2]" 1
1097 1 66 GLU HA 1 67 ILE H 3.570 2.200 3.570 2.228 2.187 2.274 0.013 15 0 "[ . 1 . 2]" 1
1098 1 66 GLU HA 1 67 ILE HG13 5.560 2.200 5.560 4.015 3.746 4.930 . 0 0 "[ . 1 . 2]" 1
1099 1 66 GLU HA 1 67 ILE MG 4.960 2.200 4.960 3.368 3.214 3.474 . 0 0 "[ . 1 . 2]" 1
1100 1 66 GLU HB2 1 67 ILE H 4.720 2.200 4.720 4.151 3.950 4.321 . 0 0 "[ . 1 . 2]" 1
1101 1 66 GLU HB3 1 67 ILE H 5.610 2.200 5.610 4.014 3.872 4.248 . 0 0 "[ . 1 . 2]" 1
1102 1 66 GLU HG2 1 67 ILE H 4.230 2.200 4.230 2.543 2.181 2.930 0.019 4 0 "[ . 1 . 2]" 1
1103 1 66 GLU HG3 1 67 ILE H 4.230 2.200 4.230 3.015 2.632 3.668 . 0 0 "[ . 1 . 2]" 1
1104 1 67 ILE H 1 67 ILE HG12 5.050 2.200 5.050 3.561 2.094 3.703 0.106 9 0 "[ . 1 . 2]" 1
1105 1 67 ILE H 1 67 ILE HG13 4.190 2.200 4.190 2.178 2.099 2.831 0.101 19 0 "[ . 1 . 2]" 1
1106 1 67 ILE H 1 67 ILE MD 4.520 2.200 4.520 3.408 3.092 3.697 . 0 0 "[ . 1 . 2]" 1
1107 1 67 ILE H 1 67 ILE MG 3.990 2.200 3.990 2.723 2.608 2.858 . 0 0 "[ . 1 . 2]" 1
1108 1 67 ILE HA 1 67 ILE MD 5.070 2.200 5.070 3.509 3.430 4.121 . 0 0 "[ . 1 . 2]" 1
1109 1 67 ILE HA 1 67 ILE MG 4.160 2.200 4.160 2.332 2.239 2.386 . 0 0 "[ . 1 . 2]" 1
1110 1 67 ILE HA 1 68 LYS H 3.510 2.200 3.510 2.315 2.233 2.395 . 0 0 "[ . 1 . 2]" 1
1111 1 67 ILE HA 1 76 SER H 5.740 2.200 5.740 4.657 4.429 4.894 . 0 0 "[ . 1 . 2]" 1
1112 1 67 ILE HA 1 77 ILE HA 5.000 2.200 5.000 2.992 2.660 3.281 . 0 0 "[ . 1 . 2]" 1
1113 1 67 ILE HA 1 77 ILE MG 5.070 2.200 5.070 2.423 2.099 2.876 0.101 3 0 "[ . 1 . 2]" 1
1114 1 67 ILE HB 1 67 ILE MD 4.250 2.200 4.250 2.176 2.129 2.402 0.071 1 0 "[ . 1 . 2]" 1
1115 1 67 ILE HB 1 68 LYS H 3.620 2.200 3.620 2.530 2.338 2.737 . 0 0 "[ . 1 . 2]" 1
1116 1 67 ILE HB 1 75 PHE HD2 4.590 2.200 4.590 2.655 2.348 2.830 . 0 0 "[ . 1 . 2]" 1
1117 1 67 ILE HB 1 76 SER H 5.150 2.200 5.150 3.865 3.594 4.108 . 0 0 "[ . 1 . 2]" 1
1118 1 67 ILE HG13 1 68 LYS H 4.500 2.200 4.500 4.377 3.851 4.500 . 0 0 "[ . 1 . 2]" 1
1119 1 67 ILE MD 1 68 LYS H 4.340 2.200 4.340 2.786 2.588 4.290 . 0 0 "[ . 1 . 2]" 1
1120 1 67 ILE MD 1 69 VAL MG1 4.000 2.200 4.000 2.144 2.032 2.374 0.168 11 0 "[ . 1 . 2]" 1
1121 1 67 ILE MD 1 75 PHE HB2 4.710 2.200 4.710 2.563 2.258 3.520 . 0 0 "[ . 1 . 2]" 1
1122 1 67 ILE MD 1 75 PHE HB3 4.520 2.200 4.520 3.629 3.337 4.186 . 0 0 "[ . 1 . 2]" 1
1123 1 67 ILE MD 1 75 PHE HD2 4.680 2.200 4.680 2.097 1.964 2.165 0.236 9 0 "[ . 1 . 2]" 1
1124 1 67 ILE MD 1 75 PHE HE2 5.240 2.200 5.240 3.438 2.042 3.637 0.158 9 0 "[ . 1 . 2]" 1
1125 1 67 ILE MD 1 76 SER H 5.090 2.200 5.090 3.753 3.437 5.019 . 0 0 "[ . 1 . 2]" 1
1126 1 67 ILE HG13 1 67 ILE MG 4.610 2.200 4.610 2.520 2.419 3.190 . 0 0 "[ . 1 . 2]" 1
1127 1 67 ILE MD 1 67 ILE MG 3.800 2.200 3.800 3.156 2.098 3.230 0.102 9 0 "[ . 1 . 2]" 1
1128 1 67 ILE MG 1 68 LYS H 4.400 2.200 4.400 3.835 3.686 3.977 . 0 0 "[ . 1 . 2]" 1
1129 1 67 ILE MG 1 75 PHE HD2 4.370 2.200 4.370 3.413 3.228 3.602 . 0 0 "[ . 1 . 2]" 1
1130 1 67 ILE MG 1 75 PHE HE2 4.600 2.200 4.600 2.094 2.012 2.177 0.188 12 0 "[ . 1 . 2]" 1
1131 1 67 ILE MG 1 77 ILE HA 4.940 2.200 4.940 3.792 3.381 4.064 . 0 0 "[ . 1 . 2]" 1
1132 1 67 ILE MG 1 77 ILE MG 3.630 2.200 3.630 2.024 1.952 2.098 0.248 16 0 "[ . 1 . 2]" 1
1133 1 67 ILE MG 1 78 CYS H 5.060 2.200 5.060 4.765 4.474 5.134 0.074 9 0 "[ . 1 . 2]" 1
1134 1 68 LYS H 1 68 LYS QB 3.960 2.200 3.960 2.550 2.399 2.708 . 0 0 "[ . 1 . 2]" 1
1135 1 68 LYS H 1 68 LYS QD 5.130 2.200 5.130 4.265 3.853 4.754 . 0 0 "[ . 1 . 2]" 1
1136 1 68 LYS H 1 68 LYS QG 4.850 2.200 4.850 3.146 2.662 4.158 . 0 0 "[ . 1 . 2]" 1
1137 1 68 LYS H 1 69 VAL H 5.040 2.200 5.040 4.235 4.078 4.376 . 0 0 "[ . 1 . 2]" 1
1138 1 68 LYS H 1 69 VAL HA 5.220 2.200 5.220 4.695 4.604 4.841 . 0 0 "[ . 1 . 2]" 1
1139 1 68 LYS H 1 69 VAL MG1 5.160 2.200 5.160 4.676 4.428 4.845 . 0 0 "[ . 1 . 2]" 1
1140 1 68 LYS H 1 75 PHE HA 5.320 2.200 5.320 4.659 4.453 4.999 . 0 0 "[ . 1 . 2]" 1
1141 1 68 LYS H 1 75 PHE HB2 4.730 2.200 4.730 3.688 3.457 3.987 . 0 0 "[ . 1 . 2]" 1
1142 1 68 LYS H 1 75 PHE HB3 5.930 2.200 5.930 5.375 5.151 5.655 . 0 0 "[ . 1 . 2]" 1
1143 1 68 LYS H 1 75 PHE HD2 4.550 2.200 4.550 4.419 4.066 4.597 0.047 17 0 "[ . 1 . 2]" 1
1144 1 68 LYS H 1 76 SER H 4.160 2.200 4.160 2.642 2.445 2.897 . 0 0 "[ . 1 . 2]" 1
1145 1 68 LYS H 1 76 SER HB2 5.890 2.200 5.890 4.722 4.142 4.996 . 0 0 "[ . 1 . 2]" 1
1146 1 68 LYS H 1 77 ILE MG 4.780 2.200 4.780 3.230 2.928 3.535 . 0 0 "[ . 1 . 2]" 1
1147 1 68 LYS HB2 1 69 VAL H 5.140 2.200 5.140 4.335 4.156 4.558 . 0 0 "[ . 1 . 2]" 1
1148 1 68 LYS HB3 1 69 VAL H 5.140 2.200 5.140 3.721 3.156 4.360 . 0 0 "[ . 1 . 2]" 1
1149 1 68 LYS QB 1 69 VAL H 4.570 2.200 4.570 3.501 3.065 3.903 . 0 0 "[ . 1 . 2]" 1
1150 1 68 LYS QB 1 76 SER H 5.480 2.200 5.480 3.085 2.556 3.468 . 0 0 "[ . 1 . 2]" 1
1151 1 69 VAL H 1 69 VAL HB 4.150 2.200 4.150 3.639 3.598 3.742 . 0 0 "[ . 1 . 2]" 1
1152 1 69 VAL H 1 69 VAL MG1 3.900 2.200 3.900 2.468 2.171 2.735 0.029 5 0 "[ . 1 . 2]" 1
1153 1 69 VAL H 1 69 VAL MG2 4.140 2.200 4.140 2.099 2.027 2.161 0.173 11 0 "[ . 1 . 2]" 1
1154 1 69 VAL H 1 70 LEU H 5.120 2.200 5.120 4.363 4.137 4.597 . 0 0 "[ . 1 . 2]" 1
1155 1 69 VAL H 1 75 PHE HB2 5.210 2.200 5.210 4.039 3.877 4.177 . 0 0 "[ . 1 . 2]" 1
1156 1 69 VAL H 1 75 PHE HB3 5.190 2.200 5.190 5.309 5.198 5.406 0.216 2 0 "[ . 1 . 2]" 1
1157 1 69 VAL HA 1 69 VAL MG1 4.260 2.200 4.260 2.285 2.188 2.444 0.012 14 0 "[ . 1 . 2]" 1
1158 1 69 VAL HA 1 69 VAL MG2 4.430 2.200 4.430 3.229 3.217 3.258 . 0 0 "[ . 1 . 2]" 1
1159 1 69 VAL HA 1 71 GLY H 4.380 2.200 4.380 3.567 3.417 3.964 . 0 0 "[ . 1 . 2]" 1
1160 1 69 VAL HA 1 75 PHE H 5.290 2.200 5.290 4.767 4.601 5.049 . 0 0 "[ . 1 . 2]" 1
1161 1 69 VAL HA 1 75 PHE HA 4.440 2.200 4.440 2.320 2.138 2.719 0.062 15 0 "[ . 1 . 2]" 1
1162 1 69 VAL HA 1 75 PHE HB2 4.820 2.200 4.820 2.241 2.117 2.378 0.083 2 0 "[ . 1 . 2]" 1
1163 1 69 VAL HA 1 75 PHE HB3 4.560 2.200 4.560 2.905 2.739 3.041 . 0 0 "[ . 1 . 2]" 1
1164 1 69 VAL HA 1 76 SER H 4.530 2.200 4.530 3.521 3.227 3.766 . 0 0 "[ . 1 . 2]" 1
1165 1 69 VAL HB 1 71 GLY H 4.960 2.200 4.960 3.505 3.036 3.823 . 0 0 "[ . 1 . 2]" 1
1166 1 69 VAL MG1 1 70 LEU H 5.030 2.200 5.030 3.993 3.808 4.160 . 0 0 "[ . 1 . 2]" 1
1167 1 69 VAL MG1 1 75 PHE HA 5.570 2.200 5.570 3.909 3.590 4.368 . 0 0 "[ . 1 . 2]" 1
1168 1 69 VAL MG1 1 75 PHE HB2 4.900 2.200 4.900 2.666 2.285 3.173 . 0 0 "[ . 1 . 2]" 1
1169 1 69 VAL MG1 1 75 PHE HB3 4.930 2.200 4.930 2.786 2.466 3.186 . 0 0 "[ . 1 . 2]" 1
1170 1 69 VAL MG2 1 70 LEU H 4.700 2.200 4.700 4.186 3.985 4.302 . 0 0 "[ . 1 . 2]" 1
1171 1 69 VAL MG2 1 75 PHE HA 5.570 2.200 5.570 5.066 4.905 5.319 . 0 0 "[ . 1 . 2]" 1
1172 1 70 LEU H 1 70 LEU HB2 4.310 2.200 4.310 2.438 2.353 2.613 . 0 0 "[ . 1 . 2]" 1
1173 1 70 LEU H 1 70 LEU HG 4.470 2.200 4.470 2.449 2.271 2.810 . 0 0 "[ . 1 . 2]" 1
1174 1 70 LEU H 1 70 LEU MD1 4.380 2.200 4.380 3.619 3.446 3.895 . 0 0 "[ . 1 . 2]" 1
1175 1 70 LEU H 1 70 LEU MD2 4.680 2.200 4.680 3.603 3.415 3.963 . 0 0 "[ . 1 . 2]" 1
1176 1 70 LEU H 1 75 PHE H 4.950 2.200 4.950 4.270 4.076 4.420 . 0 0 "[ . 1 . 2]" 1
1177 1 70 LEU H 1 75 PHE HA 4.210 2.200 4.210 1.994 1.879 2.148 0.321 19 0 "[ . 1 . 2]" 1
1178 1 70 LEU H 1 75 PHE HB2 4.880 2.200 4.880 3.603 3.280 3.737 . 0 0 "[ . 1 . 2]" 1
1179 1 70 LEU H 1 75 PHE HB3 4.810 2.200 4.810 3.914 3.399 4.200 . 0 0 "[ . 1 . 2]" 1
1180 1 70 LEU H 1 76 SER H 4.780 2.200 4.780 3.761 3.376 4.248 . 0 0 "[ . 1 . 2]" 1
1181 1 70 LEU HA 1 70 LEU MD1 4.970 2.200 4.970 3.825 3.808 3.850 . 0 0 "[ . 1 . 2]" 1
1182 1 70 LEU HA 1 70 LEU MD2 3.530 2.200 3.530 2.142 2.063 2.202 0.137 11 0 "[ . 1 . 2]" 1
1183 1 70 LEU HB2 1 70 LEU MD1 3.740 2.200 3.740 2.367 2.290 2.406 . 0 0 "[ . 1 . 2]" 1
1184 1 70 LEU HB2 1 71 GLY H 4.080 2.200 4.080 2.750 2.418 3.300 . 0 0 "[ . 1 . 2]" 1
1185 1 70 LEU HB2 1 74 THR H 5.630 2.200 5.630 4.593 4.006 5.047 . 0 0 "[ . 1 . 2]" 1
1186 1 70 LEU HB2 1 74 THR HB 4.820 2.200 4.820 2.481 2.182 3.112 0.018 2 0 "[ . 1 . 2]" 1
1187 1 70 LEU HB2 1 74 THR MG 4.820 2.200 4.820 3.859 2.855 4.601 . 0 0 "[ . 1 . 2]" 1
1188 1 70 LEU HB2 1 75 PHE H 5.440 2.200 5.440 4.312 3.681 4.558 . 0 0 "[ . 1 . 2]" 1
1189 1 70 LEU HB2 1 75 PHE HA 4.850 2.200 4.850 3.331 2.906 3.532 . 0 0 "[ . 1 . 2]" 1
1190 1 70 LEU HB2 1 76 SER H 5.700 2.200 5.700 5.035 4.753 5.208 . 0 0 "[ . 1 . 2]" 1
1191 1 70 LEU HB3 1 70 LEU MD1 3.730 2.200 3.730 2.385 2.294 2.484 . 0 0 "[ . 1 . 2]" 1
1192 1 70 LEU HB3 1 70 LEU MD2 3.650 2.200 3.650 2.252 2.187 2.319 0.013 13 0 "[ . 1 . 2]" 1
1193 1 70 LEU HB3 1 71 GLY H 5.310 2.200 5.310 3.724 3.409 4.161 . 0 0 "[ . 1 . 2]" 1
1194 1 70 LEU HB3 1 74 THR HB 5.360 2.200 5.360 3.745 3.432 4.348 . 0 0 "[ . 1 . 2]" 1
1195 1 70 LEU HB3 1 74 THR MG 5.830 2.200 5.830 4.674 3.804 5.464 . 0 0 "[ . 1 . 2]" 1
1196 1 70 LEU HB3 1 75 PHE HA 5.530 2.200 5.530 4.823 4.302 5.034 . 0 0 "[ . 1 . 2]" 1
1197 1 70 LEU HG 1 71 GLY H 4.940 2.200 4.940 4.324 4.264 4.464 . 0 0 "[ . 1 . 2]" 1
1198 1 70 LEU HG 1 75 PHE H 5.370 2.200 5.370 4.957 4.314 5.245 . 0 0 "[ . 1 . 2]" 1
1199 1 70 LEU HG 1 75 PHE HA 4.660 2.200 4.660 2.820 2.203 3.181 . 0 0 "[ . 1 . 2]" 1
1200 1 70 LEU HG 1 76 SER H 4.370 2.200 4.370 3.280 2.939 3.538 . 0 0 "[ . 1 . 2]" 1
1201 1 70 LEU MD1 1 74 THR HB 4.940 2.200 4.940 3.345 2.524 4.188 . 0 0 "[ . 1 . 2]" 1
1202 1 70 LEU MD1 1 75 PHE H 4.280 2.200 4.280 4.055 2.759 4.354 0.074 5 0 "[ . 1 . 2]" 1
1203 1 70 LEU MD1 1 75 PHE HA 4.380 2.200 4.380 3.432 2.725 3.673 . 0 0 "[ . 1 . 2]" 1
1204 1 70 LEU MD1 1 76 SER H 4.170 2.200 4.170 3.822 3.485 4.138 . 0 0 "[ . 1 . 2]" 1
1205 1 70 LEU MD1 1 76 SER HA 5.240 2.200 5.240 3.689 3.341 4.159 . 0 0 "[ . 1 . 2]" 1
1206 1 70 LEU MD1 1 76 SER HB2 4.640 2.200 4.640 3.428 2.200 3.724 . 0 0 "[ . 1 . 2]" 1
1207 1 70 LEU MD1 1 76 SER HB3 4.970 2.200 4.970 2.248 1.981 3.188 0.219 17 0 "[ . 1 . 2]" 1
1208 1 70 LEU MD2 1 75 PHE HA 5.020 2.200 5.020 4.397 3.905 4.683 . 0 0 "[ . 1 . 2]" 1
1209 1 70 LEU MD2 1 76 SER H 4.700 2.200 4.700 4.479 3.973 4.771 0.071 9 0 "[ . 1 . 2]" 1
1210 1 71 GLY H 1 74 THR H 4.510 2.200 4.510 2.960 2.701 3.154 . 0 0 "[ . 1 . 2]" 1
1211 1 71 GLY H 1 74 THR HB 4.830 2.200 4.830 3.513 2.443 4.315 . 0 0 "[ . 1 . 2]" 1
1212 1 71 GLY H 1 75 PHE H 5.610 2.200 5.610 4.883 4.703 5.114 . 0 0 "[ . 1 . 2]" 1
1213 1 71 GLY H 1 75 PHE HA 4.550 2.200 4.550 3.774 3.651 3.901 . 0 0 "[ . 1 . 2]" 1
1214 1 71 GLY H 1 75 PHE HB2 6.000 2.200 6.000 5.187 4.908 5.426 . 0 0 "[ . 1 . 2]" 1
1215 1 71 GLY H 1 75 PHE HB3 5.250 2.200 5.250 4.788 4.513 4.980 . 0 0 "[ . 1 . 2]" 1
1216 1 71 GLY HA3 1 72 PRO HG2 4.890 2.200 4.890 4.310 4.175 4.880 . 0 0 "[ . 1 . 2]" 1
1217 1 71 GLY HA3 1 73 TYR H 4.740 2.200 4.740 3.447 3.331 3.667 . 0 0 "[ . 1 . 2]" 1
1218 1 71 GLY HA3 1 74 THR H 4.960 2.200 4.960 3.159 3.045 3.330 . 0 0 "[ . 1 . 2]" 1
1219 1 72 PRO HA 1 74 THR H 5.000 2.200 5.000 4.384 4.245 4.476 . 0 0 "[ . 1 . 2]" 1
1220 1 72 PRO HB2 1 73 TYR HD1 5.180 2.200 5.180 4.714 3.548 5.217 0.037 12 0 "[ . 1 . 2]" 1
1221 1 72 PRO HB2 1 73 TYR HD2 5.500 2.200 5.500 3.224 2.766 3.724 . 0 0 "[ . 1 . 2]" 1
1222 1 72 PRO HB2 1 73 TYR HE1 5.740 2.200 5.740 4.740 3.613 5.439 . 0 0 "[ . 1 . 2]" 1
1223 1 72 PRO HB2 1 73 TYR HE2 6.000 2.200 6.000 3.256 2.767 3.907 . 0 0 "[ . 1 . 2]" 1
1224 1 72 PRO HB3 1 73 TYR H 4.990 2.200 4.990 4.059 3.780 4.158 . 0 0 "[ . 1 . 2]" 1
1225 1 72 PRO HG2 1 73 TYR H 4.530 2.200 4.530 2.520 2.173 3.858 0.027 12 0 "[ . 1 . 2]" 1
1226 1 72 PRO HG2 1 73 TYR HD1 5.640 2.200 5.640 5.717 5.263 5.861 0.221 18 0 "[ . 1 . 2]" 1
1227 1 72 PRO HG2 1 73 TYR HD2 4.820 2.200 4.820 2.728 2.141 4.765 0.059 6 0 "[ . 1 . 2]" 1
1228 1 72 PRO HG2 1 73 TYR HE2 5.600 2.200 5.600 3.778 3.062 4.539 . 0 0 "[ . 1 . 2]" 1
1229 1 72 PRO HG3 1 73 TYR HE2 6.000 2.200 6.000 4.395 3.595 5.957 . 0 0 "[ . 1 . 2]" 1
1230 1 72 PRO QD 1 73 TYR H 4.670 2.200 4.670 2.807 2.689 2.903 . 0 0 "[ . 1 . 2]" 1
1231 1 73 TYR H 1 73 TYR HB2 4.620 2.200 4.620 2.697 2.548 2.860 . 0 0 "[ . 1 . 2]" 1
1232 1 73 TYR H 1 73 TYR HD1 5.010 2.200 5.010 4.630 3.790 4.916 . 0 0 "[ . 1 . 2]" 1
1233 1 73 TYR H 1 73 TYR HD2 4.300 2.200 4.300 3.212 2.786 3.741 . 0 0 "[ . 1 . 2]" 1
1234 1 73 TYR H 1 74 THR H 3.740 2.200 3.740 2.187 2.093 2.352 0.107 4 0 "[ . 1 . 2]" 1
1235 1 73 TYR H 1 74 THR MG 4.830 2.200 4.830 4.078 3.665 4.883 0.053 14 0 "[ . 1 . 2]" 1
1236 1 73 TYR HA 1 73 TYR HD1 4.640 2.200 4.640 2.504 2.172 2.767 0.028 2 0 "[ . 1 . 2]" 1
1237 1 73 TYR HB2 1 74 THR H 4.900 2.200 4.900 3.806 3.674 3.902 . 0 0 "[ . 1 . 2]" 1
1238 1 73 TYR HB2 1 74 THR MG 5.130 2.200 5.130 3.737 3.227 4.767 . 0 0 "[ . 1 . 2]" 1
1239 1 73 TYR HB3 1 73 TYR HD1 4.100 2.200 4.100 2.619 2.480 2.903 . 0 0 "[ . 1 . 2]" 1
1240 1 73 TYR HB3 1 74 THR H 5.300 2.200 5.300 4.416 4.247 4.526 . 0 0 "[ . 1 . 2]" 1
1241 1 73 TYR HB3 1 74 THR MG 5.380 2.200 5.380 4.414 3.801 5.589 0.209 5 0 "[ . 1 . 2]" 1
1242 1 73 TYR HD1 1 74 THR H 5.970 2.200 5.970 5.532 4.937 5.783 . 0 0 "[ . 1 . 2]" 1
1243 1 73 TYR HD2 1 74 THR MG 6.000 2.200 6.000 5.419 4.761 6.164 0.164 8 0 "[ . 1 . 2]" 1
1244 1 74 THR H 1 74 THR HB 4.570 2.200 4.570 3.518 2.923 3.824 . 0 0 "[ . 1 . 2]" 1
1245 1 74 THR H 1 74 THR MG 4.450 2.200 4.450 3.307 3.064 3.807 . 0 0 "[ . 1 . 2]" 1
1246 1 74 THR H 1 75 PHE H 4.920 2.200 4.920 4.369 4.302 4.445 . 0 0 "[ . 1 . 2]" 1
1247 1 74 THR HA 1 74 THR MG 3.940 2.200 3.940 2.214 2.089 2.317 0.111 7 0 "[ . 1 . 2]" 1
1248 1 74 THR HA 1 75 PHE H 3.420 2.200 3.420 2.180 2.147 2.238 0.053 12 0 "[ . 1 . 2]" 1
1249 1 74 THR HB 1 75 PHE H 3.920 2.200 3.920 3.426 2.899 3.927 0.007 8 0 "[ . 1 . 2]" 1
1250 1 74 THR MG 1 75 PHE H 3.910 2.200 3.910 3.477 2.696 3.811 . 0 0 "[ . 1 . 2]" 1
1251 1 74 THR MG 1 75 PHE HA 6.000 2.200 6.000 5.063 4.111 5.443 . 0 0 "[ . 1 . 2]" 1
1252 1 75 PHE H 1 75 PHE HB3 4.680 2.200 4.680 3.111 2.973 3.279 . 0 0 "[ . 1 . 2]" 1
1253 1 75 PHE H 1 75 PHE HD1 4.420 2.200 4.420 2.648 2.458 2.820 . 0 0 "[ . 1 . 2]" 1
1254 1 75 PHE H 1 75 PHE HE1 5.200 2.200 5.200 5.000 4.846 5.133 . 0 0 "[ . 1 . 2]" 1
1255 1 75 PHE H 1 76 SER H 4.950 2.200 4.950 4.423 4.400 4.448 . 0 0 "[ . 1 . 2]" 1
1256 1 75 PHE H 1 76 SER HA 5.300 2.200 5.300 4.695 4.605 4.754 . 0 0 "[ . 1 . 2]" 1
1257 1 75 PHE HA 1 76 SER H 3.880 2.200 3.880 2.353 2.268 2.458 . 0 0 "[ . 1 . 2]" 1
1258 1 75 PHE HB2 1 76 SER H 4.170 2.200 4.170 2.603 2.488 2.765 . 0 0 "[ . 1 . 2]" 1
1259 1 75 PHE HB3 1 76 SER H 4.610 2.200 4.610 3.951 3.873 4.028 . 0 0 "[ . 1 . 2]" 1
1260 1 42 PHE HD2 1 75 PHE HD2 5.400 2.200 5.400 2.256 2.125 2.570 0.075 12 0 "[ . 1 . 2]" 1
1261 1 75 PHE HD2 1 76 SER H 4.620 2.200 4.620 4.476 4.272 4.693 0.073 4 0 "[ . 1 . 2]" 1
1262 1 75 PHE HD2 1 77 ILE MG 3.980 2.200 3.980 4.119 3.902 4.299 0.319 5 0 "[ . 1 . 2]" 1
1263 1 42 PHE HD2 1 75 PHE HD1 5.400 2.200 5.400 5.546 5.354 5.685 0.285 12 0 "[ . 1 . 2]" 1
1264 1 42 PHE HD2 1 75 PHE HE2 6.000 2.200 6.000 2.746 2.199 3.318 0.001 3 0 "[ . 1 . 2]" 1
1265 1 42 PHE HE2 1 75 PHE HE2 6.000 2.200 6.000 3.389 3.061 3.886 . 0 0 "[ . 1 . 2]" 1
1266 1 50 PHE QE 1 75 PHE HE2 6.000 2.200 6.000 4.735 4.412 4.965 . 0 0 "[ . 1 . 2]" 1
1267 1 50 PHE HZ 1 75 PHE HE2 6.000 2.200 6.000 4.338 3.924 4.559 . 0 0 "[ . 1 . 2]" 1
1268 1 75 PHE HE2 1 77 ILE MG 3.750 2.200 3.750 3.469 3.150 3.641 . 0 0 "[ . 1 . 2]" 1
1269 1 75 PHE HE2 1 92 VAL MG1 4.780 2.200 4.780 4.531 4.222 4.801 0.021 5 0 "[ . 1 . 2]" 1
1270 1 75 PHE HE2 1 92 VAL MG2 4.300 2.200 4.300 3.119 2.937 3.362 . 0 0 "[ . 1 . 2]" 1
1271 1 42 PHE HD2 1 75 PHE HE1 6.000 2.200 6.000 5.768 5.512 6.035 0.035 9 0 "[ . 1 . 2]" 1
1272 1 42 PHE HE2 1 75 PHE HE1 6.000 2.200 6.000 5.585 5.111 5.926 . 0 0 "[ . 1 . 2]" 1
1273 1 75 PHE HE1 1 83 PHE HZ 6.000 2.200 6.000 6.326 6.252 6.387 0.387 13 0 "[ . 1 . 2]" 1
1274 1 42 PHE HE2 1 75 PHE HZ 6.000 2.200 6.000 4.253 3.668 4.667 . 0 0 "[ . 1 . 2]" 1
1275 1 50 PHE QE 1 75 PHE HZ 6.000 2.200 6.000 2.905 2.411 3.282 . 0 0 "[ . 1 . 2]" 1
1276 1 50 PHE HZ 1 75 PHE HZ 6.000 2.200 6.000 2.087 2.029 2.138 0.171 4 0 "[ . 1 . 2]" 1
1277 1 75 PHE HZ 1 83 PHE HE2 6.000 2.200 6.000 6.042 5.504 6.188 0.188 18 0 "[ . 1 . 2]" 1
1278 1 75 PHE HZ 1 92 VAL HB 4.620 2.200 4.620 4.604 4.116 4.757 0.137 8 0 "[ . 1 . 2]" 1
1279 1 75 PHE HZ 1 92 VAL MG1 5.200 2.200 5.200 4.259 3.951 4.648 . 0 0 "[ . 1 . 2]" 1
1280 1 75 PHE HZ 1 92 VAL MG2 4.740 2.200 4.740 2.750 2.244 3.054 . 0 0 "[ . 1 . 2]" 1
1281 1 76 SER H 1 76 SER HB2 4.610 2.200 4.610 3.675 2.656 3.799 . 0 0 "[ . 1 . 2]" 1
1282 1 76 SER H 1 77 ILE H 5.190 2.200 5.190 4.377 4.338 4.409 . 0 0 "[ . 1 . 2]" 1
1283 1 76 SER H 1 77 ILE MG 5.380 2.200 5.380 3.824 3.705 4.049 . 0 0 "[ . 1 . 2]" 1
1284 1 76 SER HA 1 77 ILE H 3.830 2.200 3.830 2.181 2.134 2.288 0.066 13 0 "[ . 1 . 2]" 1
1285 1 76 SER HB2 1 77 ILE H 4.380 2.200 4.380 2.785 2.397 3.860 . 0 0 "[ . 1 . 2]" 1
1286 1 76 SER HB3 1 77 ILE H 4.620 2.200 4.620 3.562 2.483 3.765 . 0 0 "[ . 1 . 2]" 1
1287 1 77 ILE H 1 77 ILE HG12 4.490 2.200 4.490 2.622 2.141 3.734 0.059 7 0 "[ . 1 . 2]" 1
1288 1 77 ILE H 1 77 ILE HG13 4.770 2.200 4.770 2.761 2.084 4.016 0.116 14 0 "[ . 1 . 2]" 1
1289 1 77 ILE H 1 77 ILE MD 5.060 2.200 5.060 3.470 2.150 3.879 0.050 9 0 "[ . 1 . 2]" 1
1290 1 77 ILE H 1 77 ILE MG 4.340 2.200 4.340 2.973 2.762 3.062 . 0 0 "[ . 1 . 2]" 1
1291 1 77 ILE H 1 78 CYS H 5.010 2.200 5.010 4.360 4.204 4.417 . 0 0 "[ . 1 . 2]" 1
1292 1 77 ILE HA 1 77 ILE MD 5.170 2.200 5.170 3.928 3.497 4.123 . 0 0 "[ . 1 . 2]" 1
1293 1 77 ILE HA 1 77 ILE MG 3.870 2.200 3.870 2.250 2.178 2.407 0.022 12 0 "[ . 1 . 2]" 1
1294 1 77 ILE HB 1 77 ILE MD 3.940 2.200 3.940 2.394 2.163 3.163 0.037 6 0 "[ . 1 . 2]" 1
1295 1 77 ILE HB 1 78 CYS H 3.590 2.200 3.590 2.266 1.950 2.422 0.250 9 0 "[ . 1 . 2]" 1
1296 1 77 ILE HB 1 79 ASP H 4.640 2.200 4.640 4.613 4.295 4.899 0.259 7 0 "[ . 1 . 2]" 1
1297 1 77 ILE HG13 1 78 CYS H 4.120 2.200 4.120 3.777 2.927 4.241 0.121 5 0 "[ . 1 . 2]" 1
1298 1 77 ILE MD 1 78 CYS H 4.180 2.200 4.180 3.710 2.267 4.245 0.065 8 0 "[ . 1 . 2]" 1
1299 1 77 ILE MD 1 78 CYS HA 5.890 2.200 5.890 5.285 3.597 5.962 0.072 8 0 "[ . 1 . 2]" 1
1300 1 77 ILE MD 1 79 ASP H 4.430 2.200 4.430 3.989 2.188 4.638 0.208 8 0 "[ . 1 . 2]" 1
1301 1 77 ILE MD 1 80 THR H 5.070 2.200 5.070 4.327 2.635 5.219 0.149 2 0 "[ . 1 . 2]" 1
1302 1 77 ILE MD 1 80 THR MG 3.710 2.200 3.710 2.477 2.066 3.155 0.134 20 0 "[ . 1 . 2]" 1
1303 1 77 ILE MD 1 83 PHE HD2 5.630 2.200 5.630 3.737 3.549 3.879 . 0 0 "[ . 1 . 2]" 1
1304 1 77 ILE MD 1 83 PHE HE2 3.990 2.200 3.990 1.994 1.836 2.248 0.364 1 0 "[ . 1 . 2]" 1
1305 1 77 ILE HG12 1 77 ILE MG 4.310 2.200 4.310 2.343 2.191 3.199 0.009 7 0 "[ . 1 . 2]" 1
1306 1 77 ILE MD 1 77 ILE MG 3.690 2.200 3.690 2.301 1.823 3.248 0.377 20 0 "[ . 1 . 2]" 1
1307 1 77 ILE MG 1 78 CYS H 4.140 2.200 4.140 3.638 3.526 3.723 . 0 0 "[ . 1 . 2]" 1
1308 1 77 ILE MG 1 83 PHE HE2 5.680 2.200 5.680 4.342 3.743 4.733 . 0 0 "[ . 1 . 2]" 1
1309 1 78 CYS H 1 78 CYS HB2 4.600 2.200 4.600 3.232 2.432 3.678 . 0 0 "[ . 1 . 2]" 1
1310 1 78 CYS H 1 78 CYS HB3 4.600 2.200 4.600 3.086 2.649 3.703 . 0 0 "[ . 1 . 2]" 1
1311 1 78 CYS H 1 79 ASP H 4.760 2.200 4.760 3.720 3.325 3.981 . 0 0 "[ . 1 . 2]" 1
1312 1 78 CYS H 1 80 THR MG 6.000 2.200 6.000 5.746 5.354 6.060 0.060 8 0 "[ . 1 . 2]" 1
1313 1 78 CYS H 1 83 PHE HE2 5.960 2.200 5.960 5.711 5.158 5.964 0.004 11 0 "[ . 1 . 2]" 1
1314 1 78 CYS HA 1 79 ASP QB 5.180 2.200 5.180 4.417 4.188 5.130 . 0 0 "[ . 1 . 2]" 1
1315 1 78 CYS HB2 1 79 ASP H 4.050 2.200 4.050 2.303 2.092 3.539 0.108 20 0 "[ . 1 . 2]" 1
1316 1 78 CYS HB2 1 79 ASP HA 5.700 2.200 5.700 4.667 4.385 5.798 0.098 18 0 "[ . 1 . 2]" 1
1317 1 78 CYS HB3 1 79 ASP H 4.050 2.200 4.050 3.126 2.156 3.650 0.044 18 0 "[ . 1 . 2]" 1
1318 1 78 CYS HB3 1 79 ASP HA 5.700 2.200 5.700 5.340 4.446 5.761 0.061 17 0 "[ . 1 . 2]" 1
1319 1 78 CYS QB 1 79 ASP H 3.600 2.200 3.600 2.166 2.013 2.513 0.187 1 0 "[ . 1 . 2]" 1
1320 1 78 CYS QB 1 79 ASP HA 5.010 2.200 5.010 4.304 4.181 4.621 . 0 0 "[ . 1 . 2]" 1
1321 1 78 CYS QB 1 79 ASP QB 4.750 2.200 4.750 3.300 3.087 3.974 . 0 0 "[ . 1 . 2]" 1
1322 1 79 ASP H 1 79 ASP QB 3.890 2.200 3.890 2.684 2.534 2.796 . 0 0 "[ . 1 . 2]" 1
1323 1 79 ASP H 1 80 THR H 4.930 2.200 4.930 3.982 3.766 4.233 . 0 0 "[ . 1 . 2]" 1
1324 1 79 ASP H 1 81 SER H 4.930 2.200 4.930 5.133 5.018 5.246 0.316 6 0 "[ . 1 . 2]" 1
1325 1 79 ASP H 1 82 ASN H 4.930 2.200 4.930 4.381 4.105 4.493 . 0 0 "[ . 1 . 2]" 1
1326 1 79 ASP QB 1 80 THR H 4.350 2.200 4.350 3.790 3.246 3.909 . 0 0 "[ . 1 . 2]" 1
1327 1 79 ASP QB 1 81 SER H 4.720 2.200 4.720 3.609 2.409 3.883 . 0 0 "[ . 1 . 2]" 1
1328 1 80 THR H 1 80 THR MG 4.190 2.200 4.190 2.468 2.323 2.658 . 0 0 "[ . 1 . 2]" 1
1329 1 80 THR H 1 81 SER H 3.780 2.200 3.780 2.399 2.251 2.480 . 0 0 "[ . 1 . 2]" 1
1330 1 80 THR H 1 82 ASN H 4.780 2.200 4.780 3.799 3.695 3.957 . 0 0 "[ . 1 . 2]" 1
1331 1 80 THR H 1 81 SER HA 6.000 2.200 6.000 5.062 4.908 5.166 . 0 0 "[ . 1 . 2]" 1
1332 1 80 THR H 1 81 SER HB2 6.000 2.200 6.000 5.024 4.295 5.776 . 0 0 "[ . 1 . 2]" 1
1333 1 80 THR H 1 81 SER HB3 6.000 2.200 6.000 5.811 5.133 6.005 0.005 8 0 "[ . 1 . 2]" 1
1334 1 80 THR H 1 83 PHE H 4.960 2.200 4.960 4.873 4.676 5.019 0.059 7 0 "[ . 1 . 2]" 1
1335 1 80 THR H 1 84 SER H 6.000 2.200 6.000 6.241 6.083 6.396 0.396 19 0 "[ . 1 . 2]" 1
1336 1 80 THR HA 1 80 THR MG 3.960 2.200 3.960 2.261 2.215 2.358 . 0 0 "[ . 1 . 2]" 1
1337 1 80 THR HA 1 82 ASN H 4.760 2.200 4.760 3.453 3.297 3.768 . 0 0 "[ . 1 . 2]" 1
1338 1 80 THR HA 1 83 PHE H 4.160 2.200 4.160 3.046 2.708 3.295 . 0 0 "[ . 1 . 2]" 1
1339 1 80 THR HA 1 83 PHE HD2 4.420 2.200 4.420 2.205 2.043 2.587 0.157 12 0 "[ . 1 . 2]" 1
1340 1 80 THR HB 1 83 PHE HD2 4.640 2.200 4.640 3.230 3.008 3.426 . 0 0 "[ . 1 . 2]" 1
1341 1 80 THR MG 1 81 SER H 4.920 2.200 4.920 4.048 3.887 4.175 . 0 0 "[ . 1 . 2]" 1
1342 1 80 THR MG 1 83 PHE HB2 5.230 2.200 5.230 4.122 3.691 4.546 . 0 0 "[ . 1 . 2]" 1
1343 1 80 THR MG 1 83 PHE HD2 3.880 2.200 3.880 2.475 2.197 2.896 0.003 3 0 "[ . 1 . 2]" 1
1344 1 81 SER H 1 81 SER QB 3.660 2.200 3.660 2.691 2.144 2.814 0.056 20 0 "[ . 1 . 2]" 1
1345 1 81 SER H 1 82 ASN QB 5.310 2.200 5.310 4.305 4.137 4.561 . 0 0 "[ . 1 . 2]" 1
1346 1 81 SER QB 1 82 ASN H 4.220 2.200 4.220 3.134 2.881 3.668 . 0 0 "[ . 1 . 2]" 1
1347 1 82 ASN H 1 82 ASN HB2 4.250 2.200 4.250 2.783 2.283 3.719 . 0 0 "[ . 1 . 2]" 1
1348 1 82 ASN H 1 82 ASN HB3 4.250 2.200 4.250 2.727 2.417 3.601 . 0 0 "[ . 1 . 2]" 1
1349 1 82 ASN H 1 82 ASN QB 3.710 2.200 3.710 2.351 2.254 2.559 . 0 0 "[ . 1 . 2]" 1
1350 1 82 ASN H 1 83 PHE H 3.780 2.200 3.780 2.240 2.152 2.326 0.048 2 0 "[ . 1 . 2]" 1
1351 1 82 ASN H 1 84 SER H 5.780 2.200 5.780 4.603 4.353 4.904 . 0 0 "[ . 1 . 2]" 1
1352 1 82 ASN H 1 83 PHE HD2 5.080 2.200 5.080 5.262 5.138 5.371 0.291 6 0 "[ . 1 . 2]" 1
1353 1 82 ASN HA 1 83 PHE H 4.040 2.200 4.040 3.332 3.199 3.394 . 0 0 "[ . 1 . 2]" 1
1354 1 82 ASN HB2 1 83 PHE H 4.970 2.200 4.970 4.155 3.536 4.555 . 0 0 "[ . 1 . 2]" 1
1355 1 82 ASN HB3 1 83 PHE H 4.970 2.200 4.970 3.582 3.316 4.264 . 0 0 "[ . 1 . 2]" 1
1356 1 82 ASN QB 1 83 PHE H 4.370 2.200 4.370 3.346 3.197 3.914 . 0 0 "[ . 1 . 2]" 1
1357 1 83 PHE H 1 83 PHE HB2 3.610 2.200 3.610 2.597 2.478 2.756 . 0 0 "[ . 1 . 2]" 1
1358 1 83 PHE H 1 83 PHE HD2 4.020 2.200 4.020 3.989 3.772 4.123 0.103 14 0 "[ . 1 . 2]" 1
1359 1 83 PHE H 1 84 SER H 5.090 2.200 5.090 2.633 2.411 2.901 . 0 0 "[ . 1 . 2]" 1
1360 1 83 PHE HA 1 84 SER QB 5.360 2.200 5.360 4.630 3.998 4.874 . 0 0 "[ . 1 . 2]" 1
1361 1 83 PHE HB2 1 85 ASP H 5.690 2.200 5.690 5.255 4.119 5.822 0.132 19 0 "[ . 1 . 2]" 1
1362 1 83 PHE HB3 1 84 SER H 3.930 2.200 3.930 2.918 2.550 3.309 . 0 0 "[ . 1 . 2]" 1
1363 1 83 PHE HB3 1 85 ASP H 6.000 2.200 6.000 5.766 4.793 6.273 0.273 3 0 "[ . 1 . 2]" 1
1364 1 83 PHE HD2 1 84 SER H 5.670 2.200 5.670 3.842 3.654 4.002 . 0 0 "[ . 1 . 2]" 1
1365 1 83 PHE HD1 1 84 SER H 4.810 2.200 4.810 4.852 4.825 4.883 0.073 17 0 "[ . 1 . 2]" 1
1366 1 84 SER H 1 84 SER HB2 4.290 2.200 4.290 3.901 3.241 4.120 . 0 0 "[ . 1 . 2]" 1
1367 1 84 SER H 1 84 SER HB3 4.290 2.200 4.290 3.843 3.300 4.057 . 0 0 "[ . 1 . 2]" 1
1368 1 84 SER H 1 84 SER QB 3.780 2.200 3.780 3.439 2.998 3.544 . 0 0 "[ . 1 . 2]" 1
1369 1 84 SER H 1 85 ASP H 4.830 2.200 4.830 4.039 3.404 4.338 . 0 0 "[ . 1 . 2]" 1
1370 1 84 SER HB2 1 85 ASP H 4.100 2.200 4.100 2.323 2.035 3.540 0.165 6 0 "[ . 1 . 2]" 1
1371 1 84 SER HB3 1 85 ASP H 4.100 2.200 4.100 3.084 2.170 3.492 0.030 20 0 "[ . 1 . 2]" 1
1372 1 84 SER QB 1 85 ASP H 3.490 2.200 3.490 2.133 2.022 2.475 0.178 6 0 "[ . 1 . 2]" 1
1373 1 85 ASP H 1 85 ASP HB2 4.510 2.200 4.510 3.010 2.327 3.954 . 0 0 "[ . 1 . 2]" 1
1374 1 85 ASP H 1 85 ASP HB3 3.550 2.200 3.550 2.946 2.600 3.670 0.120 7 0 "[ . 1 . 2]" 1
1375 1 85 ASP H 1 86 TYR H 4.850 2.200 4.850 4.419 4.027 4.565 . 0 0 "[ . 1 . 2]" 1
1376 1 85 ASP HA 1 86 TYR H 3.460 2.200 3.460 2.257 2.107 2.478 0.093 12 0 "[ . 1 . 2]" 1
1377 1 85 ASP HA 1 86 TYR HB3 4.900 2.200 4.900 4.520 4.081 4.907 0.007 13 0 "[ . 1 . 2]" 1
1378 1 85 ASP HB3 1 86 TYR H 5.010 2.200 5.010 3.773 3.076 4.256 . 0 0 "[ . 1 . 2]" 1
1379 1 86 TYR H 1 86 TYR HB3 3.550 2.200 3.550 2.438 2.166 2.818 0.034 19 0 "[ . 1 . 2]" 1
1380 1 86 TYR H 1 87 ILE H 5.330 2.200 5.330 4.424 3.960 4.629 . 0 0 "[ . 1 . 2]" 1
1381 1 86 TYR HA 1 87 ILE H 3.830 2.200 3.830 2.206 2.161 2.329 0.039 6 0 "[ . 1 . 2]" 1
1382 1 86 TYR HA 1 88 ARG H 5.270 2.200 5.270 4.181 3.612 4.650 . 0 0 "[ . 1 . 2]" 1
1383 1 86 TYR HB2 1 86 TYR QD 4.140 2.200 4.140 2.471 2.306 2.577 . 0 0 "[ . 1 . 2]" 1
1384 1 86 TYR HB2 1 87 ILE H 4.580 2.200 4.580 4.225 3.056 4.661 0.081 13 0 "[ . 1 . 2]" 1
1385 1 86 TYR HB2 1 88 ARG H 6.000 2.200 6.000 5.713 4.187 6.060 0.060 8 0 "[ . 1 . 2]" 1
1386 1 86 TYR QD 1 87 ILE H 4.670 2.200 4.670 3.683 3.331 4.323 . 0 0 "[ . 1 . 2]" 1
1387 1 86 TYR QD 1 88 ARG H 4.740 2.200 4.740 4.067 3.084 4.553 . 0 0 "[ . 1 . 2]" 1
1388 1 87 ILE H 1 87 ILE MD 4.770 2.200 4.770 3.828 3.500 4.187 . 0 0 "[ . 1 . 2]" 1
1389 1 87 ILE H 1 87 ILE QG 4.390 2.200 4.390 2.759 2.344 3.029 . 0 0 "[ . 1 . 2]" 1
1390 1 87 ILE H 1 87 ILE MG 4.460 2.200 4.460 3.765 3.708 3.803 . 0 0 "[ . 1 . 2]" 1
1391 1 87 ILE H 1 88 ARG H 3.800 2.200 3.800 2.382 2.213 2.551 . 0 0 "[ . 1 . 2]" 1
1392 1 87 ILE H 1 88 ARG HA 5.140 2.200 5.140 4.536 4.249 4.967 . 0 0 "[ . 1 . 2]" 1
1393 1 87 ILE H 1 88 ARG HB2 6.000 2.200 6.000 5.801 5.128 6.430 0.430 13 0 "[ . 1 . 2]" 1
1394 1 87 ILE H 1 88 ARG HG2 6.000 2.200 6.000 5.502 4.474 6.281 0.281 14 0 "[ . 1 . 2]" 1
1395 1 87 ILE H 1 88 ARG HG3 6.000 2.200 6.000 5.671 4.404 6.295 0.295 5 0 "[ . 1 . 2]" 1
1396 1 87 ILE HA 1 87 ILE MD 4.400 2.200 4.400 3.321 2.130 3.848 0.070 1 0 "[ . 1 . 2]" 1
1397 1 87 ILE HA 1 87 ILE MG 3.810 2.200 3.810 2.456 2.341 2.556 . 0 0 "[ . 1 . 2]" 1
1398 1 87 ILE HB 1 88 ARG H 4.730 2.200 4.730 2.333 2.087 2.596 0.113 5 0 "[ . 1 . 2]" 1
1399 1 87 ILE HG12 1 88 ARG H 5.940 2.200 5.940 4.750 4.305 5.031 . 0 0 "[ . 1 . 2]" 1
1400 1 87 ILE HG13 1 88 ARG H 5.940 2.200 5.940 4.436 4.198 4.872 . 0 0 "[ . 1 . 2]" 1
1401 1 87 ILE MD 1 88 ARG H 5.240 2.200 5.240 4.330 4.023 4.651 . 0 0 "[ . 1 . 2]" 1
1402 1 87 ILE QG 1 88 ARG H 5.210 2.200 5.210 4.050 3.928 4.171 . 0 0 "[ . 1 . 2]" 1
1403 1 87 ILE MG 1 88 ARG H 3.490 2.200 3.490 2.992 2.576 3.377 . 0 0 "[ . 1 . 2]" 1
1404 1 87 ILE MG 1 88 ARG HA 5.860 2.200 5.860 4.200 3.951 4.537 . 0 0 "[ . 1 . 2]" 1
1405 1 87 ILE MG 1 88 ARG HB2 4.610 2.200 4.610 3.514 2.252 4.527 . 0 0 "[ . 1 . 2]" 1
1406 1 87 ILE MG 1 88 ARG HB3 5.000 2.200 5.000 3.475 2.648 4.327 . 0 0 "[ . 1 . 2]" 1
1407 1 87 ILE MG 1 88 ARG HD2 5.660 2.200 5.660 4.203 2.440 5.485 . 0 0 "[ . 1 . 2]" 1
1408 1 87 ILE MG 1 88 ARG HD3 5.660 2.200 5.660 4.143 2.693 5.458 . 0 0 "[ . 1 . 2]" 1
1409 1 87 ILE MG 1 88 ARG QD 5.040 2.200 5.040 3.609 2.375 4.875 . 0 0 "[ . 1 . 2]" 1
1410 1 87 ILE MG 1 88 ARG QG 3.810 2.200 3.810 2.409 2.089 3.327 0.111 4 0 "[ . 1 . 2]" 1
1411 1 87 ILE MG 1 89 GLY H 5.690 2.200 5.690 5.423 5.135 5.690 . 0 0 "[ . 1 . 2]" 1
1412 1 88 ARG H 1 88 ARG HB2 4.610 2.200 4.610 3.606 2.840 4.142 . 0 0 "[ . 1 . 2]" 1
1413 1 88 ARG H 1 88 ARG HB3 4.540 2.200 4.540 3.731 3.418 4.014 . 0 0 "[ . 1 . 2]" 1
1414 1 88 ARG H 1 88 ARG HG2 5.370 2.200 5.370 3.644 2.529 4.432 . 0 0 "[ . 1 . 2]" 1
1415 1 88 ARG H 1 88 ARG HG3 5.370 2.200 5.370 3.690 2.589 4.606 . 0 0 "[ . 1 . 2]" 1
1416 1 88 ARG H 1 88 ARG QD 5.840 2.200 5.840 4.857 3.640 5.429 . 0 0 "[ . 1 . 2]" 1
1417 1 88 ARG H 1 88 ARG QG 4.720 2.200 4.720 3.175 2.459 3.868 . 0 0 "[ . 1 . 2]" 1
1418 1 88 ARG H 1 89 GLY H 4.930 2.200 4.930 4.336 4.296 4.384 . 0 0 "[ . 1 . 2]" 1
1419 1 88 ARG HA 1 89 GLY H 3.550 2.200 3.550 2.580 2.298 2.875 . 0 0 "[ . 1 . 2]" 1
1420 1 88 ARG HB2 1 89 GLY H 4.180 2.200 4.180 2.715 2.037 3.598 0.163 13 0 "[ . 1 . 2]" 1
1421 1 88 ARG HB3 1 89 GLY H 4.210 2.200 4.210 2.907 1.996 3.642 0.204 1 0 "[ . 1 . 2]" 1
1422 1 88 ARG HD2 1 89 GLY H 5.060 2.200 5.060 4.337 2.617 5.249 0.189 15 0 "[ . 1 . 2]" 1
1423 1 88 ARG HD3 1 89 GLY H 5.060 2.200 5.060 4.442 2.787 5.326 0.266 10 0 "[ . 1 . 2]" 1
1424 1 88 ARG QD 1 89 GLY H 4.500 2.200 4.500 3.712 2.594 4.515 0.015 14 0 "[ . 1 . 2]" 1
1425 1 88 ARG QG 1 89 GLY H 4.380 2.200 4.380 3.167 2.239 4.148 . 0 0 "[ . 1 . 2]" 1
1426 1 89 GLY H 1 90 GLY H 5.270 2.200 5.270 4.609 4.573 4.643 . 0 0 "[ . 1 . 2]" 1
1427 1 89 GLY HA2 1 90 GLY H 3.560 2.200 3.560 2.910 2.769 3.068 . 0 0 "[ . 1 . 2]" 1
1428 1 89 GLY HA3 1 90 GLY H 3.400 2.200 3.400 2.281 2.172 2.372 0.028 10 0 "[ . 1 . 2]" 1
1429 1 90 GLY H 1 91 ILE H 4.740 2.200 4.740 3.718 3.468 4.063 . 0 0 "[ . 1 . 2]" 1
1430 1 90 GLY H 1 91 ILE HB 5.900 2.200 5.900 5.426 5.148 5.881 . 0 0 "[ . 1 . 2]" 1
1431 1 90 GLY H 1 91 ILE HG13 5.080 2.200 5.080 3.843 3.485 5.171 0.091 1 0 "[ . 1 . 2]" 1
1432 1 90 GLY H 1 91 ILE MD 6.000 2.200 6.000 4.752 3.880 5.269 . 0 0 "[ . 1 . 2]" 1
1433 1 90 GLY HA2 1 91 ILE H 3.820 2.200 3.820 2.120 2.085 2.167 0.115 1 0 "[ . 1 . 2]" 1
1434 1 90 GLY HA3 1 91 ILE H 3.660 2.200 3.660 3.190 2.922 3.319 . 0 0 "[ . 1 . 2]" 1
1435 1 91 ILE H 1 91 ILE HB 3.980 2.200 3.980 2.583 2.514 2.654 . 0 0 "[ . 1 . 2]" 1
1436 1 91 ILE H 1 91 ILE HG13 4.600 2.200 4.600 3.023 2.688 4.029 . 0 0 "[ . 1 . 2]" 1
1437 1 91 ILE H 1 91 ILE MD 5.220 2.200 5.220 3.922 3.546 4.098 . 0 0 "[ . 1 . 2]" 1
1438 1 91 ILE H 1 91 ILE MG 4.620 2.200 4.620 3.812 3.781 3.850 . 0 0 "[ . 1 . 2]" 1
1439 1 91 ILE HA 1 91 ILE MD 5.080 2.200 5.080 3.679 2.176 3.868 0.024 1 0 "[ . 1 . 2]" 1
1440 1 91 ILE HA 1 91 ILE MG 3.860 2.200 3.860 2.373 2.277 2.421 . 0 0 "[ . 1 . 2]" 1
1441 1 91 ILE HA 1 92 VAL H 3.470 2.200 3.470 2.195 2.169 2.225 0.031 9 0 "[ . 1 . 2]" 1
1442 1 91 ILE HA 1 92 VAL MG1 4.900 2.200 4.900 3.603 3.484 3.830 . 0 0 "[ . 1 . 2]" 1
1443 1 91 ILE HB 1 91 ILE MD 4.410 2.200 4.410 2.383 2.194 3.228 0.006 16 0 "[ . 1 . 2]" 1
1444 1 91 ILE HB 1 92 VAL H 5.190 2.200 5.190 4.165 4.135 4.213 . 0 0 "[ . 1 . 2]" 1
1445 1 91 ILE HG12 1 91 ILE MG 4.340 2.200 4.340 2.406 2.232 3.208 . 0 0 "[ . 1 . 2]" 1
1446 1 91 ILE MG 1 92 VAL H 3.790 2.200 3.790 2.628 2.457 2.795 . 0 0 "[ . 1 . 2]" 1
1447 1 91 ILE MG 1 93 SER H 5.150 2.200 5.150 4.371 4.057 4.612 . 0 0 "[ . 1 . 2]" 1
1448 1 92 VAL H 1 92 VAL HB 4.440 2.200 4.440 3.132 2.965 3.209 . 0 0 "[ . 1 . 2]" 1
1449 1 92 VAL H 1 92 VAL MG1 3.670 2.200 3.670 2.106 2.067 2.159 0.133 3 0 "[ . 1 . 2]" 1
1450 1 92 VAL H 1 92 VAL MG2 4.700 2.200 4.700 3.847 3.798 3.894 . 0 0 "[ . 1 . 2]" 1
1451 1 92 VAL H 1 93 SER H 5.110 2.200 5.110 4.396 4.342 4.451 . 0 0 "[ . 1 . 2]" 1
1452 1 92 VAL HA 1 92 VAL MG2 4.070 2.200 4.070 2.439 2.366 2.489 . 0 0 "[ . 1 . 2]" 1
1453 1 92 VAL HA 1 93 SER H 3.420 2.200 3.420 2.165 2.133 2.200 0.067 13 0 "[ . 1 . 2]" 1
1454 1 92 VAL MG1 1 93 SER H 4.480 2.200 4.480 4.028 3.894 4.153 . 0 0 "[ . 1 . 2]" 1
1455 1 92 VAL MG2 1 93 SER H 3.800 2.200 3.800 2.567 2.416 2.729 . 0 0 "[ . 1 . 2]" 1
1456 1 92 VAL MG2 1 93 SER HA 5.350 2.200 5.350 3.649 3.519 3.849 . 0 0 "[ . 1 . 2]" 1
1457 1 93 SER H 1 93 SER HB2 4.610 2.200 4.610 2.752 2.439 2.879 . 0 0 "[ . 1 . 2]" 1
1458 1 93 SER H 1 93 SER HB3 4.130 2.200 4.130 3.748 3.077 3.852 . 0 0 "[ . 1 . 2]" 1
1459 1 93 SER H 1 95 VAL MG2 5.410 2.200 5.410 4.790 4.280 5.220 . 0 0 "[ . 1 . 2]" 1
1460 1 93 SER HA 1 94 GLN H 3.840 2.200 3.840 2.175 2.113 2.221 0.087 4 0 "[ . 1 . 2]" 1
1461 1 93 SER HB2 1 94 GLN H 4.140 2.200 4.140 3.884 3.710 4.265 0.125 1 0 "[ . 1 . 2]" 1
1462 1 93 SER HB3 1 94 GLN H 5.000 2.200 5.000 3.018 2.744 3.617 . 0 0 "[ . 1 . 2]" 1
1463 1 94 GLN H 1 94 GLN HG2 5.020 2.200 5.020 3.229 2.083 4.492 0.117 1 0 "[ . 1 . 2]" 1
1464 1 94 GLN H 1 94 GLN HG3 5.020 2.200 5.020 3.287 2.092 4.646 0.108 15 0 "[ . 1 . 2]" 1
1465 1 94 GLN HA 1 94 GLN QG 4.220 2.200 4.220 2.950 2.322 3.443 . 0 0 "[ . 1 . 2]" 1
1466 1 94 GLN HA 1 95 VAL H 3.440 2.200 3.440 2.223 2.124 2.360 0.076 10 0 "[ . 1 . 2]" 1
1467 1 94 GLN HA 1 95 VAL MG2 4.810 2.200 4.810 3.476 3.191 3.825 . 0 0 "[ . 1 . 2]" 1
1468 1 94 GLN HB2 1 95 VAL H 3.550 2.200 3.550 3.218 2.264 3.853 0.303 11 0 "[ . 1 . 2]" 1
1469 1 94 GLN HB3 1 94 GLN QE 5.320 2.200 5.320 3.175 2.229 4.195 . 0 0 "[ . 1 . 2]" 1
1470 1 94 GLN HB3 1 95 VAL H 5.520 2.200 5.520 3.753 2.334 4.195 . 0 0 "[ . 1 . 2]" 1
1471 1 94 GLN HE21 1 95 VAL H 6.000 2.200 6.000 4.702 2.962 6.066 0.066 4 0 "[ . 1 . 2]" 1
1472 1 94 GLN HE22 1 95 VAL H 6.000 2.200 6.000 5.798 4.416 6.386 0.386 4 0 "[ . 1 . 2]" 1
1473 1 94 GLN QG 1 95 VAL H 5.840 2.200 5.840 3.328 2.112 4.293 0.088 12 0 "[ . 1 . 2]" 1
1474 1 95 VAL H 1 95 VAL HB 3.770 2.200 3.770 2.682 2.468 3.131 . 0 0 "[ . 1 . 2]" 1
1475 1 95 VAL H 1 95 VAL MG2 3.780 2.200 3.780 2.795 2.349 3.108 . 0 0 "[ . 1 . 2]" 1
1476 1 95 VAL HA 1 95 VAL MG1 4.250 2.200 4.250 2.353 2.212 2.497 . 0 0 "[ . 1 . 2]" 1
1477 1 95 VAL HA 1 95 VAL MG2 4.010 2.200 4.010 2.348 2.191 2.570 0.009 15 0 "[ . 1 . 2]" 1
1478 1 95 VAL HA 1 96 LYS H 3.430 2.200 3.430 2.186 2.116 2.364 0.084 20 0 "[ . 1 . 2]" 1
1479 1 95 VAL HA 1 97 VAL H 5.270 2.200 5.270 5.247 5.126 5.403 0.133 8 0 "[ . 1 . 2]" 1
1480 1 95 VAL MG1 1 96 LYS H 3.870 2.200 3.870 2.841 2.040 3.437 0.160 3 0 "[ . 1 . 2]" 1
1481 1 95 VAL MG1 1 97 VAL H 4.280 2.200 4.280 3.762 3.381 4.489 0.209 3 0 "[ . 1 . 2]" 1
1482 1 95 VAL MG1 1 97 VAL HA 5.290 2.200 5.290 3.485 2.956 4.431 . 0 0 "[ . 1 . 2]" 1
1483 1 96 LYS H 1 96 LYS HD2 6.000 2.200 6.000 4.555 2.480 5.659 . 0 0 "[ . 1 . 2]" 1
1484 1 96 LYS H 1 96 LYS HD3 6.000 2.200 6.000 4.593 2.064 5.153 0.136 14 0 "[ . 1 . 2]" 1
1485 1 96 LYS H 1 96 LYS HG2 6.000 2.200 6.000 3.634 2.223 4.664 . 0 0 "[ . 1 . 2]" 1
1486 1 96 LYS H 1 96 LYS HG3 6.000 2.200 6.000 3.615 2.174 4.672 0.026 3 0 "[ . 1 . 2]" 1
1487 1 96 LYS H 1 96 LYS QB 4.120 2.200 4.120 2.357 2.146 2.946 0.054 17 0 "[ . 1 . 2]" 1
1488 1 96 LYS H 1 96 LYS QG 5.180 2.200 5.180 3.070 2.148 4.043 0.052 3 0 "[ . 1 . 2]" 1
1489 1 96 LYS H 1 97 VAL H 4.760 2.200 4.760 4.145 3.995 4.297 . 0 0 "[ . 1 . 2]" 1
1490 1 96 LYS HA 1 96 LYS HD2 5.970 2.200 5.970 3.918 2.148 4.792 0.052 17 0 "[ . 1 . 2]" 1
1491 1 96 LYS HA 1 96 LYS HD3 5.970 2.200 5.970 3.631 2.105 4.785 0.095 16 0 "[ . 1 . 2]" 1
1492 1 96 LYS HA 1 96 LYS QD 5.170 2.200 5.170 3.218 2.083 4.266 0.117 16 0 "[ . 1 . 2]" 1
1493 1 96 LYS HA 1 97 VAL H 4.050 2.200 4.050 2.145 2.076 2.199 0.124 8 0 "[ . 1 . 2]" 1
1494 1 96 LYS HB2 1 97 VAL H 5.280 2.200 5.280 4.424 3.798 4.628 . 0 0 "[ . 1 . 2]" 1
1495 1 96 LYS HB3 1 97 VAL H 5.280 2.200 5.280 4.062 3.716 4.535 . 0 0 "[ . 1 . 2]" 1
1496 1 96 LYS HG2 1 97 VAL H 6.000 2.200 6.000 4.511 3.424 5.133 . 0 0 "[ . 1 . 2]" 1
1497 1 96 LYS HG3 1 97 VAL H 6.000 2.200 6.000 4.997 3.471 5.817 . 0 0 "[ . 1 . 2]" 1
1498 1 96 LYS QB 1 97 VAL H 4.690 2.200 4.690 3.727 3.528 3.977 . 0 0 "[ . 1 . 2]" 1
1499 1 96 LYS QG 1 97 VAL H 5.350 2.200 5.350 4.116 3.368 4.772 . 0 0 "[ . 1 . 2]" 1
1500 1 97 VAL H 1 97 VAL HB 4.270 2.200 4.270 3.433 2.296 3.674 . 0 0 "[ . 1 . 2]" 1
1501 1 97 VAL H 1 97 VAL MG1 5.930 2.200 5.930 2.510 2.110 3.726 0.090 8 0 "[ . 1 . 2]" 1
1502 1 97 VAL H 1 97 VAL MG2 5.930 2.200 5.930 2.230 1.956 3.745 0.244 7 0 "[ . 1 . 2]" 1
1503 1 97 VAL H 1 98 PRO HD2 5.250 2.200 5.250 5.009 4.620 5.260 0.010 13 0 "[ . 1 . 2]" 1
1504 1 97 VAL H 1 98 PRO HD3 5.250 2.200 5.250 4.790 4.301 5.166 . 0 0 "[ . 1 . 2]" 1
1505 1 97 VAL H 1 98 PRO QD 4.620 2.200 4.620 4.340 4.086 4.494 . 0 0 "[ . 1 . 2]" 1
1506 1 97 VAL HA 1 98 PRO HD2 3.880 2.200 3.880 2.806 2.143 3.458 0.057 4 0 "[ . 1 . 2]" 1
1507 1 97 VAL HA 1 98 PRO HD3 3.880 2.200 3.880 2.285 2.072 2.535 0.128 16 0 "[ . 1 . 2]" 1
1508 1 97 VAL HA 1 98 PRO HG2 5.540 2.200 5.540 4.690 4.332 5.145 . 0 0 "[ . 1 . 2]" 1
1509 1 97 VAL HA 1 98 PRO HG3 5.540 2.200 5.540 4.366 4.129 4.662 . 0 0 "[ . 1 . 2]" 1
1510 1 97 VAL MG1 1 98 PRO HD2 5.800 2.200 5.800 3.353 2.026 4.318 0.174 13 0 "[ . 1 . 2]" 1
1511 1 97 VAL MG1 1 98 PRO HD3 5.800 2.200 5.800 3.642 3.026 4.893 . 0 0 "[ . 1 . 2]" 1
1512 1 97 VAL MG2 1 98 PRO HD2 5.800 2.200 5.800 3.602 2.180 4.768 0.020 14 0 "[ . 1 . 2]" 1
1513 1 97 VAL MG2 1 98 PRO HD3 5.800 2.200 5.800 4.239 3.578 4.863 . 0 0 "[ . 1 . 2]" 1
1514 1 97 VAL QG 1 98 PRO QD 4.480 2.200 4.480 2.727 1.986 3.409 0.214 13 0 "[ . 1 . 2]" 1
1515 1 98 PRO QB 1 99 LYS H 4.260 2.200 4.260 3.220 2.351 3.894 . 0 0 "[ . 1 . 2]" 1
1516 1 99 LYS HA 1 100 LYS H 3.990 2.200 3.990 2.272 2.137 2.779 0.063 11 0 "[ . 1 . 2]" 1
1517 1 100 LYS H 1 100 LYS QB 4.090 2.200 4.090 2.495 2.292 3.192 . 0 0 "[ . 1 . 2]" 1
1518 1 100 LYS HA 1 101 ILE H 3.720 2.200 3.720 2.265 2.092 2.919 0.108 17 0 "[ . 1 . 2]" 1
1519 1 100 LYS HD2 1 101 ILE H 6.000 2.200 6.000 5.199 3.184 6.150 0.150 17 0 "[ . 1 . 2]" 1
1520 1 100 LYS HD3 1 101 ILE H 6.000 2.200 6.000 4.914 3.004 6.067 0.067 19 0 "[ . 1 . 2]" 1
1521 1 100 LYS HG2 1 101 ILE H 5.950 2.200 5.950 4.244 2.905 5.430 . 0 0 "[ . 1 . 2]" 1
1522 1 100 LYS HG3 1 101 ILE H 5.950 2.200 5.950 4.603 2.197 5.456 0.003 20 0 "[ . 1 . 2]" 1
1523 1 100 LYS QB 1 101 ILE H 4.850 2.200 4.850 2.982 2.061 3.907 0.139 20 0 "[ . 1 . 2]" 1
1524 1 100 LYS QG 1 101 ILE H 5.210 2.200 5.210 3.845 2.178 4.688 0.022 20 0 "[ . 1 . 2]" 1
1525 1 101 ILE H 1 101 ILE HG12 5.480 2.200 5.480 2.674 2.153 4.555 0.047 14 0 "[ . 1 . 2]" 1
1526 1 101 ILE H 1 101 ILE HG13 5.480 2.200 5.480 3.101 2.136 4.399 0.064 4 0 "[ . 1 . 2]" 1
1527 1 101 ILE H 1 101 ILE QG 4.740 2.200 4.740 2.289 2.103 3.985 0.097 6 0 "[ . 1 . 2]" 1
1528 1 101 ILE HA 1 101 ILE MD 5.320 2.200 5.320 3.629 2.115 4.135 0.085 5 0 "[ . 1 . 2]" 1
1529 1 105 SER HB2 1 106 LEU H 6.000 2.200 6.000 3.659 2.388 4.355 . 0 0 "[ . 1 . 2]" 1
1530 1 105 SER HB3 1 106 LEU H 6.000 2.200 6.000 3.251 2.622 4.194 . 0 0 "[ . 1 . 2]" 1
1531 1 106 LEU H 1 106 LEU HG 5.420 2.200 5.420 2.892 2.081 4.383 0.119 14 0 "[ . 1 . 2]" 1
1532 1 106 LEU H 1 107 PRO QD 5.850 2.200 5.850 4.301 3.822 4.436 . 0 0 "[ . 1 . 2]" 1
1533 1 108 ALA H 1 108 ALA MB 4.660 2.200 4.660 2.364 2.200 2.756 . 0 0 "[ . 1 . 2]" 1
1534 1 110 LEU H 1 110 LEU QD 5.890 2.200 5.890 3.019 2.048 3.743 0.152 1 0 "[ . 1 . 2]" 1
1535 1 111 VAL H 1 111 VAL QG 4.550 2.200 4.550 2.270 2.029 2.850 0.171 8 0 "[ . 1 . 2]" 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 68
_Distance_constraint_stats_list.Viol_count 867
_Distance_constraint_stats_list.Viol_total 1389.692
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0602
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0511
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 17 LEU 2.201 0.182 19 0 "[ . 1 . 2]"
1 19 ALA 2.323 0.156 18 0 "[ . 1 . 2]"
1 20 MET 2.231 0.145 20 0 "[ . 1 . 2]"
1 21 VAL 3.298 0.199 20 0 "[ . 1 . 2]"
1 22 SER 1.553 0.156 2 0 "[ . 1 . 2]"
1 23 MET 4.926 0.217 13 0 "[ . 1 . 2]"
1 25 THR 3.501 0.325 17 0 "[ . 1 . 2]"
1 27 ASP 3.053 0.325 17 0 "[ . 1 . 2]"
1 30 GLY 2.482 0.146 13 0 "[ . 1 . 2]"
1 31 VAL 0.448 0.070 5 0 "[ . 1 . 2]"
1 32 VAL 1.941 0.156 6 0 "[ . 1 . 2]"
1 33 THR 6.479 0.217 13 0 "[ . 1 . 2]"
1 34 CYS 2.926 0.199 17 0 "[ . 1 . 2]"
1 35 LEU 4.541 0.213 19 0 "[ . 1 . 2]"
1 38 ALA 2.310 0.213 19 0 "[ . 1 . 2]"
1 43 GLU 0.458 0.085 9 0 "[ . 1 . 2]"
1 45 GLY 2.504 0.152 17 0 "[ . 1 . 2]"
1 46 ASP 1.131 0.085 9 0 "[ . 1 . 2]"
1 48 VAL 1.279 0.134 20 0 "[ . 1 . 2]"
1 49 SER 6.313 0.208 4 0 "[ . 1 . 2]"
1 51 SER 7.207 0.247 20 0 "[ . 1 . 2]"
1 52 GLU 3.091 0.207 20 0 "[ . 1 . 2]"
1 54 GLN 2.080 0.120 6 0 "[ . 1 . 2]"
1 55 GLY 0.602 0.100 12 0 "[ . 1 . 2]"
1 56 MET 0.581 0.120 6 0 "[ . 1 . 2]"
1 57 ILE 2.358 0.192 2 0 "[ . 1 . 2]"
1 59 LEU 3.332 0.220 8 0 "[ . 1 . 2]"
1 61 GLY 1.756 0.192 2 0 "[ . 1 . 2]"
1 62 CYS 3.332 0.220 8 0 "[ . 1 . 2]"
1 65 MET 1.279 0.134 20 0 "[ . 1 . 2]"
1 67 ILE 3.177 0.152 17 0 "[ . 1 . 2]"
1 68 LYS 5.463 0.220 16 0 "[ . 1 . 2]"
1 70 LEU 3.736 0.261 6 0 "[ . 1 . 2]"
1 71 GLY 0.614 0.107 17 0 "[ . 1 . 2]"
1 73 TYR 2.926 0.199 17 0 "[ . 1 . 2]"
1 74 THR 4.351 0.261 6 0 "[ . 1 . 2]"
1 75 PHE 1.941 0.156 6 0 "[ . 1 . 2]"
1 76 SER 5.463 0.220 16 0 "[ . 1 . 2]"
1 77 ILE 2.482 0.146 13 0 "[ . 1 . 2]"
1 79 ASP 0.682 0.104 2 0 "[ . 1 . 2]"
1 82 ASN 0.682 0.104 2 0 "[ . 1 . 2]"
1 87 ILE 0.691 0.091 7 0 "[ . 1 . 2]"
1 88 ARG 0.808 0.113 18 0 "[ . 1 . 2]"
1 90 GLY 6.389 0.207 20 0 "[ . 1 . 2]"
1 91 ILE 7.207 0.247 20 0 "[ . 1 . 2]"
1 92 VAL 2.323 0.156 18 0 "[ . 1 . 2]"
1 93 SER 6.313 0.208 4 0 "[ . 1 . 2]"
1 94 GLN 2.201 0.182 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 ALA H 1 92 VAL O 1.850 . 1.950 1.788 1.619 1.973 0.131 18 0 "[ . 1 . 2]" 2
2 1 19 ALA N 1 92 VAL O 2.850 2.750 2.950 2.727 2.594 2.892 0.156 18 0 "[ . 1 . 2]" 2
3 1 21 VAL H 1 90 GLY O 1.850 . 1.950 1.704 1.619 1.922 0.131 9 0 "[ . 1 . 2]" 2
4 1 21 VAL N 1 90 GLY O 2.850 2.750 2.950 2.647 2.551 2.807 0.199 20 0 "[ . 1 . 2]" 2
5 1 22 SER H 1 33 THR O 1.850 . 1.950 1.803 1.646 1.961 0.104 2 0 "[ . 1 . 2]" 2
6 1 22 SER N 1 33 THR O 2.850 2.750 2.950 2.693 2.594 2.835 0.156 2 0 "[ . 1 . 2]" 2
7 1 25 THR H 1 31 VAL O 1.850 . 1.950 1.857 1.747 1.999 0.049 18 0 "[ . 1 . 2]" 2
8 1 25 THR N 1 31 VAL O 2.850 2.750 2.950 2.783 2.680 2.909 0.070 5 0 "[ . 1 . 2]" 2
9 1 25 THR O 1 27 ASP H 1.850 . 1.950 2.075 1.823 2.275 0.325 17 0 "[ . 1 . 2]" 2
10 1 25 THR O 1 27 ASP N 2.850 2.750 2.950 2.794 2.677 2.889 0.073 13 0 "[ . 1 . 2]" 2
11 1 32 VAL H 1 75 PHE O 1.850 . 1.950 1.732 1.626 1.835 0.124 6 0 "[ . 1 . 2]" 2
12 1 32 VAL N 1 75 PHE O 2.850 2.750 2.950 2.697 2.594 2.792 0.156 6 0 "[ . 1 . 2]" 2
13 1 23 MET O 1 33 THR H 1.850 . 1.950 1.650 1.559 1.778 0.191 13 0 "[ . 1 . 2]" 2
14 1 23 MET O 1 33 THR N 2.850 2.750 2.950 2.605 2.533 2.721 0.217 13 0 "[ . 1 . 2]" 2
15 1 34 CYS H 1 73 TYR O 1.850 . 1.950 1.739 1.642 1.860 0.108 13 0 "[ . 1 . 2]" 2
16 1 34 CYS N 1 73 TYR O 2.850 2.750 2.950 2.637 2.551 2.744 0.199 17 0 "[ . 1 . 2]" 2
17 1 20 MET O 1 35 LEU H 1.850 . 1.950 1.726 1.634 1.866 0.116 20 0 "[ . 1 . 2]" 2
18 1 20 MET O 1 35 LEU N 2.850 2.750 2.950 2.692 2.605 2.847 0.145 20 0 "[ . 1 . 2]" 2
19 1 35 LEU O 1 38 ALA H 1.850 . 1.950 2.046 1.796 2.163 0.213 19 0 "[ . 1 . 2]" 2
20 1 35 LEU O 1 38 ALA N 2.850 2.750 2.950 2.781 2.692 2.970 0.058 1 0 "[ . 1 . 2]" 2
21 1 45 GLY H 1 67 ILE O 1.850 . 1.950 1.743 1.643 2.037 0.107 17 0 "[ . 1 . 2]" 2
22 1 45 GLY N 1 67 ILE O 2.850 2.750 2.950 2.689 2.598 2.999 0.152 17 0 "[ . 1 . 2]" 2
23 1 43 GLU O 1 46 ASP H 1.850 . 1.950 1.884 1.757 2.035 0.085 9 0 "[ . 1 . 2]" 2
24 1 43 GLU O 1 46 ASP N 2.850 2.750 2.950 2.777 2.670 2.917 0.080 14 0 "[ . 1 . 2]" 2
25 1 48 VAL H 1 65 MET O 1.850 . 1.950 1.940 1.792 2.014 0.064 3 0 "[ . 1 . 2]" 2
26 1 48 VAL N 1 65 MET O 2.850 2.750 2.950 2.874 2.732 2.941 0.018 5 0 "[ . 1 . 2]" 2
27 1 49 SER H 1 93 SER O 1.850 . 1.950 1.663 1.588 1.744 0.162 19 0 "[ . 1 . 2]" 2
28 1 49 SER N 1 93 SER O 2.850 2.750 2.950 2.612 2.542 2.703 0.208 4 0 "[ . 1 . 2]" 2
29 1 54 GLN H 1 88 ARG O 1.850 . 1.950 1.947 1.752 2.063 0.113 18 0 "[ . 1 . 2]" 2
30 1 54 GLN N 1 88 ARG O 2.850 2.750 2.950 2.850 2.664 3.002 0.086 5 0 "[ . 1 . 2]" 2
31 1 54 GLN O 1 56 MET H 1.850 . 1.950 1.929 1.804 2.070 0.120 6 0 "[ . 1 . 2]" 2
32 1 54 GLN O 1 56 MET N 2.850 2.750 2.950 2.805 2.701 2.914 0.049 14 0 "[ . 1 . 2]" 2
33 1 55 GLY O 1 57 ILE H 1.850 . 1.950 1.879 1.735 2.005 0.055 5 0 "[ . 1 . 2]" 2
34 1 55 GLY O 1 57 ILE N 2.850 2.750 2.950 2.767 2.650 2.876 0.100 12 0 "[ . 1 . 2]" 2
35 1 57 ILE O 1 61 GLY H 1.850 . 1.950 2.002 1.813 2.142 0.192 2 0 "[ . 1 . 2]" 2
36 1 57 ILE O 1 61 GLY N 2.850 2.750 2.950 2.922 2.739 3.067 0.117 2 0 "[ . 1 . 2]" 2
37 1 59 LEU O 1 62 CYS H 1.850 . 1.950 2.073 2.029 2.170 0.220 8 0 "[ . 1 . 2]" 2
38 1 59 LEU O 1 62 CYS N 2.850 2.750 2.950 2.990 2.901 3.045 0.095 1 0 "[ . 1 . 2]" 2
39 1 48 VAL O 1 65 MET H 1.850 . 1.950 1.890 1.691 2.084 0.134 20 0 "[ . 1 . 2]" 2
40 1 48 VAL O 1 65 MET N 2.850 2.750 2.950 2.804 2.632 2.982 0.118 5 0 "[ . 1 . 2]" 2
41 1 46 ASP O 1 67 ILE H 1.850 . 1.950 1.882 1.768 2.002 0.052 15 0 "[ . 1 . 2]" 2
42 1 46 ASP O 1 67 ILE N 2.850 2.750 2.950 2.746 2.667 2.869 0.083 4 0 "[ . 1 . 2]" 2
43 1 68 LYS H 1 76 SER O 1.850 . 1.950 1.822 1.689 1.999 0.061 9 0 "[ . 1 . 2]" 2
44 1 68 LYS N 1 76 SER O 2.850 2.750 2.950 2.759 2.645 2.913 0.105 9 0 "[ . 1 . 2]" 2
45 1 70 LEU H 1 74 THR O 1.850 . 1.950 1.973 1.680 2.211 0.261 6 0 "[ . 1 . 2]" 2
46 1 70 LEU N 1 74 THR O 2.850 2.750 2.950 2.677 2.606 2.766 0.144 8 0 "[ . 1 . 2]" 2
47 1 71 GLY H 1 74 THR O 1.850 . 1.950 1.863 1.729 2.057 0.107 17 0 "[ . 1 . 2]" 2
48 1 71 GLY N 1 74 THR O 2.850 2.750 2.950 2.798 2.701 2.943 0.049 19 0 "[ . 1 . 2]" 2
49 1 32 VAL O 1 75 PHE H 1.850 . 1.950 1.882 1.737 2.020 0.070 8 0 "[ . 1 . 2]" 2
50 1 32 VAL O 1 75 PHE N 2.850 2.750 2.950 2.836 2.713 2.981 0.037 4 0 "[ . 1 . 2]" 2
51 1 68 LYS O 1 76 SER H 1.850 . 1.950 1.677 1.634 1.739 0.116 18 0 "[ . 1 . 2]" 2
52 1 68 LYS O 1 76 SER N 2.850 2.750 2.950 2.588 2.530 2.693 0.220 16 0 "[ . 1 . 2]" 2
53 1 30 GLY O 1 77 ILE H 1.850 . 1.950 1.733 1.675 1.845 0.075 7 0 "[ . 1 . 2]" 2
54 1 30 GLY O 1 77 ILE N 2.850 2.750 2.950 2.657 2.604 2.742 0.146 13 0 "[ . 1 . 2]" 2
55 1 79 ASP O 1 82 ASN H 1.850 . 1.950 1.888 1.764 2.029 0.079 16 0 "[ . 1 . 2]" 2
56 1 79 ASP O 1 82 ASN N 2.850 2.750 2.950 2.746 2.646 2.856 0.104 2 0 "[ . 1 . 2]" 2
57 1 54 GLN O 1 87 ILE H 1.850 . 1.950 1.919 1.686 2.028 0.078 5 0 "[ . 1 . 2]" 2
58 1 54 GLN O 1 87 ILE N 2.850 2.750 2.950 2.854 2.659 2.970 0.091 7 0 "[ . 1 . 2]" 2
59 1 52 GLU O 1 90 GLY H 1.850 . 1.950 2.056 1.912 2.157 0.207 20 0 "[ . 1 . 2]" 2
60 1 52 GLU O 1 90 GLY N 2.850 2.750 2.950 2.708 2.644 2.820 0.106 15 0 "[ . 1 . 2]" 2
61 1 51 SER O 1 91 ILE H 1.850 . 1.950 1.594 1.537 1.675 0.213 10 0 "[ . 1 . 2]" 2
62 1 51 SER O 1 91 ILE N 2.850 2.750 2.950 2.545 2.503 2.586 0.247 20 0 "[ . 1 . 2]" 2
63 1 19 ALA O 1 92 VAL H 1.850 . 1.950 1.811 1.693 2.005 0.057 7 0 "[ . 1 . 2]" 2
64 1 19 ALA O 1 92 VAL N 2.850 2.750 2.950 2.775 2.635 2.984 0.115 13 0 "[ . 1 . 2]" 2
65 1 49 SER O 1 93 SER H 1.850 . 1.950 1.727 1.635 1.792 0.115 13 0 "[ . 1 . 2]" 2
66 1 49 SER O 1 93 SER N 2.850 2.750 2.950 2.692 2.597 2.762 0.153 13 0 "[ . 1 . 2]" 2
67 1 17 LEU O 1 94 GLN H 1.850 . 1.950 1.765 1.612 2.002 0.138 19 0 "[ . 1 . 2]" 2
68 1 17 LEU O 1 94 GLN N 2.850 2.750 2.950 2.699 2.568 2.941 0.182 19 0 "[ . 1 . 2]" 2
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